input stringlengths 43 1.03k | -logKd/Ki float64 0.4 15.2 | __index_level_0__ int64 0 19.1k |
|---|---|---|
<PKT> A N S S G T Q Q S T N V N R S S E D G T D N D Y N D A R P L G <SMI> C C [ C @ H ] ( N C ( = O ) C [ C @ @ H ] 1 O [ C @ @ H ] ( C ) [ C @ @ H ] ( O ) [ C @ @ H ] ( O ) [ C @ @ H ] 1 O ) C ( = O ) N 1 C C C [ C @ H ] 1 C ( = O ) N [ C @ @ H ] ( C C ( C ) C ) C ( N ) = O | 5.23 | 3,472 |
<PKT> D E V G K F R F L N E L I K V V S P K Y L K I A E A Y Q M L K Q I <SMI> C C [ C @ H ] ( C ) [ C @ H ] ( N C ( = O ) [ C @ H ] ( C C ( = O ) [ O - ] ) N C ( = O ) [ C @ @ H ] ( [ N H 3 + ] ) C C ( = O ) [ O - ] ) C ( = O ) N [ C @ @ H ] ( C O ) C ( = O ) N [ C @ @ H ] ( C C ( C ) C ) C ( = O ) N [ C @ @ H ] ( C C ( C ) C ) C ( = O ) N [ C @ @ H ] ( C C C C [ N H 3 + ] ) C ( = O ) [ O - ] | 6.1 | 14,117 |
<PKT> L L T E A P L N K R Y V A I Q A V L S L Y T V P I Y E G Y A L P H A I G G L L S T F Q Q M W V H R K C F <SMI> C = C 1 [ C @ @ H ] ( C ) [ C @ H ] 2 [ C @ H ] ( C c 3 c c c c c 3 ) N C ( = O ) [ C @ ] 2 3 [ C @ H ] ( O C ( C ) = O ) / C = C / [ C @ @ ] ( C ) ( O ) C ( = O ) [ C @ @ H ] ( C ) C / C = C / [ C @ H ] 3 [ C @ @ H ] 1 O | 5.7 | 4,104 |
<PKT> W L D N F E I R S T V A E V T S M F T L G A R A D S Y E Y K D H L V F E L L R P E T E E S F F E T Y N T E A <SMI> C O [ C @ H ] 1 O [ C @ H ] ( C O ) [ C @ @ H ] ( O ) [ C @ H ] ( O ) [ C @ @ H ] 1 S [ C @ H ] 1 O [ C @ H ] ( C O ) [ C @ @ H ] ( O ) [ C @ H ] ( O ) [ C @ @ H ] 1 O | 3.96 | 5,112 |
<PKT> V E V V D N A I D E A A H C I I V S V Q D D G R G I P T G A I M V G V S L V I R E G T M V R <SMI> C C N C ( = O ) N c 1 c c 2 c ( - c 3 c c n c c 3 ) c c c ( N c 3 c c c n c 3 ) c 2 c n 1 | 7.52 | 6,434 |
<PKT> N D S Q E D E A F T P H R N D G D G C D F N R Q K F G D T W W D A A N M L W L D Y P K P G V R <SMI> O C [ C @ H ] 1 O [ C @ @ H ] ( O [ C @ H ] 2 [ C @ H ] ( O ) [ C @ @ H ] ( O ) [ C @ H ] ( O ) O [ C @ @ H ] 2 C O ) [ C @ H ] ( O ) [ C @ @ H ] ( O ) [ C @ @ H ] 1 O | 3.94 | 11,048 |
<PKT> R R D R T T E F W Y L P P C H Q R S C D M L G V N H Y I <SMI> O = c 1 c c n ( [ C @ H ] 2 C [ C @ H ] ( O ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] 1 | 7.8 | 18,203 |
<PKT> G Q P R K G D H S L A W V D A H T D I N T T T T S G N L H G Q P D V D P E D V D G T G T P V M E <SMI> C [ C @ H ] ( [ N H 3 + ] ) C ( = O ) N 1 C [ C @ H ] ( C C C [ B - ] ( [ O H 2 + ] ) ( [ O H 2 + ] ) [ O H 2 + ] ) [ C @ ] ( [ N H 3 + ] ) ( C ( = O ) [ O - ] ) C 1 | 7.42 | 11,255 |
<PKT> K Q I G S G S K V F Q V I Y A I K L I R M V M E C G N I D L N S W K P A N F L I V L I D Q M Q P D S <SMI> C c 1 c c ( N 2 C C O C C 2 ) c c c 1 N c 1 n c ( N C 2 C C C C C 2 ) c 2 n c [ n H ] c 2 n 1 | 8.77 | 4,037 |
<PKT> Q L G K G G S V E L V A V K E L V K Y R L V M E Y L P S G C L R D R D A A R N I L V K I A D F G <SMI> C [ C @ ] 1 ( F ) C C C [ C @ H ] 1 N c 1 c ( C ( N ) = O ) c n n 2 c c c c 1 2 | 9 | 6,325 |
<PKT> T T I D T R S T Q G I V A D C A K L H A G A G T A A D T E H G Y L L G S G D L G S G R F P F G F D L I G C I D Y I <SMI> C = C ( C ) [ C @ H ] ( O ) [ C @ H ] ( C C ( C ) C ) N C ( = O ) [ C @ H ] ( C C C ( = O ) N ( C ) C ) N C ( = O ) [ C @ @ H ] ( N C ( = O ) C C C C C ) C ( C ) C | 6.78 | 7,971 |
<PKT> T L G E V Q L V A V K I E N V K Y L F L E Y C S G G E F D H D K P E N L L L D K I S D F G <SMI> [ N H 3 + ] C [ C @ H ] 1 C N ( c 2 n c n c 3 [ n H ] c c ( - c 4 c c c c ( C O ) c 4 ) c 2 3 ) C C O 1 | 6.37 | 11,420 |
<PKT> I T K I L S A E N F L I L T E M A T N H V V A V A M F L R S A E I F N K L H S L L E A R I R N S G I Y I M F Y F H H A M L W W <SMI> O = C ( N C 1 C C C C C 1 ) [ C @ H ] ( [ C @ @ H ] 1 C C C C O 1 ) n 1 c ( - c 2 c c c ( C l ) c c 2 ) n c 2 c c ( F ) c ( C l ) c c 2 1 | 7.04 | 12,419 |
<PKT> N R Y S M K I F F E K Q L L V F S F N L Y E I T Q L F N E Q L S K Y G A I M L I E L K L A <SMI> C C ( C ) C [ C @ H ] ( N C ( = O ) [ C @ H ] ( C C C N C ( N ) = [ N H 2 + ] ) N C ( = O ) [ C @ H ] ( C C ( C ) C ) N C ( = O ) [ C @ H ] ( C C C ( = O ) [ O - ] ) N C ( = O ) [ C @ @ H ] ( [ N H 3 + ] ) [ C @ @ H ] ( C ) O ) C ( = O ) N C C ( = O ) N [ C @ @ H ] ( C C ( C ) C ) C ( = O ) N 1 C C C [ C @ H ] 1 C ( = O ) N C C ( = O ) [ O - ] | 3.98 | 16,045 |
<PKT> I D G G G I R G T S T G G L Y I F Y L Y T A A A P Y F D G A V V A T Q D M D <SMI> C C [ P @ H ] ( = O ) O C | 6.94 | 3,682 |
<PKT> Q G S K I G R W D N Y S P M G Q C W V F A T N Y N S A H D N L I E Y F R N S M I W N F H C W D T P E A V R S L I V G L N Y <SMI> C C ( = O ) C C [ C @ H ] ( N C ( = O ) [ C @ @ H ] 1 C C C [ N H 2 + ] 1 ) C ( = O ) N [ C @ @ H ] ( C C ( C ) C ) C ( = O ) N 1 C C C [ C @ H ] 1 C ( = O ) N [ C @ @ H ] ( C c 1 c c c c c 1 ) C ( = O ) O | 7.22 | 2,545 |
<PKT> R G F Q Y S P K Q R V L S L V N G D D S C S S N V Y L T R P R N S W L G N I I M Y A P T W C Q I Y G A Y L H W F A G Y S G G <SMI> O = C ( [ O - ] ) / C ( = C / c 1 c c c ( O c 2 c c c c c 2 B r ) c c 1 ) N C ( = O ) c 1 c c c c c 1 | 7 | 11,687 |
<PKT> W V G G S V C S K V A I K K L R A R E L L L L K H M Q H N V I G L L V M P F M Q T D K G L Y I H A V V H D L G N L A V N K I L D F G L <SMI> C n 1 n c ( C ( C ) ( C ) C ) c c 1 N C ( = O ) N c 1 c c c ( O c 2 c c n c c 2 ) c c 1 | 6.21 | 11,311 |
<PKT> C Q C I K T Y S K P F H P K F I K R I H E I I V K L S D G R E L C L E <SMI> C S C C [ C @ H ] ( N C ( C ) = O ) C ( = O ) N [ C @ @ H ] ( C c 1 c [ n H ] c 2 c c c c c 1 2 ) C ( = O ) N [ C @ @ H ] ( C C ( = O ) [ O - ] ) C ( = O ) N [ C @ @ H ] ( C c 1 c c c c c 1 ) C ( = O ) N [ C @ @ H ] ( C C ( = O ) [ O - ] ) C ( = O ) N [ C @ @ H ] ( C C ( = O ) [ O - ] ) C ( = O ) N C C C C C C ( = O ) N [ C @ @ H ] ( C C S C ) C ( = O ) N 1 C C C [ C @ H ] 1 C ( = O ) N 1 C C C [ C @ H ] 1 C ( = O ) N [ C @ @ H ] ( C ) C ( = O ) N [ C @ @ H ] ( C C ( = O ) [ O - ] ) C ( = O ) N [ C @ @ H ] ( C C C ( = O ) [ O - ] ) C ( = O ) N [ C @ @ H ] ( C C ( = O ) [ O - ] ) C ( = O ) N [ C @ @ H ] ( C c 1 c c c ( O ) c c 1 ) C ( = O ) N [ C @ @ H ] ( C O ) C ( = O ) N 1 C C C [ C @ H ] 1 C ( N ) = O | 4.89 | 4,954 |
<PKT> R L D T G A D D T V I G G I G L T P V V G R L D T G A D D T V I G G I G L T P V V G <SMI> O = C 1 N ( C c 2 c c c ( C O ) c c 2 ) [ C @ H ] ( C c 2 c c c c c 2 ) [ C @ H ] ( O ) [ C @ @ H ] ( O ) [ C @ @ H ] ( C c 2 c c c c c 2 ) N 1 C c 1 c c c ( C O ) c c 1 | 7.7 | 12,569 |
<PKT> G F P E M H D W G G M L N T P V F Y Q F L L F L M L W Y M D V L M H W <SMI> C n 1 c c ( - c 2 n c 3 c c c c c 3 [ n H ] 2 ) c n 1 | 3.9 | 15,040 |
<PKT> F Q K M G G S I R E G C D P V E Y F I S N V V I H A W Y R V H <SMI> O = C ( [ C @ @ H ] 1 C C C N 1 C ( = O ) C C C N 1 C ( = O ) N C ( c 2 c c c c c 2 ) ( c 2 c c c c c 2 ) C 1 = O ) N 1 C C C C 1 | 7.39 | 5,764 |
<PKT> G Q G D H S M A W I D A H G D I N T N S A S G N M H G M P L R D L D A E D I D A T G T A V A E N Q L E D R H <SMI> [ N H 3 + ] [ C @ ] ( C C C C B ( O ) ( O ) ~ [ O H - ] ) ( C C [ N H + ] 1 C C C C C 1 ) C ( = O ) [ O - ] | 6.59 | 15,851 |
<PKT> S Y I G E G A Y G M V C S R V A I K K I S E L I G I V Q D L M E T D L Y K L D K P S N L L L K I C D F G <SMI> C O C C N 1 C ( = O ) c 2 c c ( - c 3 n c ( N c 4 c c n n 4 C ) n c c 3 C ) [ n H ] c 2 C [ C @ H ] 1 C | 9.52 | 15,209 |
<PKT> E N Q W Y L W I S Q K T I I N L F L R T M G K L T S M H F Y G W K K <SMI> C C ( C ) C [ C @ H ] ( [ N H 2 + ] C C ( = O ) [ C @ @ H ] ( c 1 c c c c c 1 ) N ( C ) C ( = O ) O C C 1 c 2 c c c c c 2 - c 2 c c c c c 2 1 ) C ( = O ) N [ C @ @ H ] ( C C ( = O ) [ O - ] ) C ( = O ) N [ C @ H ] ( C ( = O ) N [ C @ @ H ] ( C C ( = O ) [ O - ] ) C ( = O ) N [ C @ @ H ] ( C c 1 c c c c c 1 ) C ( = O ) [ O - ] ) C 1 C C C C C 1 | 5.59 | 14,857 |
<PKT> Q R I G F T V Y K G D V A V K M L F E V V L R K T R H N I L L F M G Y A I V T Q W C E G S S H L I H D N N F L H K I G D F G <SMI> C O c 1 [ n H ] n c 2 n c c ( N C ( = O ) c 3 c ( F ) c c c ( N S ( = O ) ( = O ) c 4 c c c c c 4 ) c 3 F ) c c 1 2 | 8.8 | 17,701 |
<PKT> K T L G T G S F G R V M L V H Y A M K I L D K V L Q I E H T L N E K L V K L L M V M E Y V A G G E M F Y D K P E N L L I D Q V T D F G F A C G F Y F <SMI> C C [ C @ H ] ( C ) c 1 c c ( C ( = O ) N [ C @ @ H ] 2 C [ N H 2 + ] C C C [ C @ H ] 2 O C ( = O ) c 2 c c c ( C ( = O ) c 3 c c ( O C ) c c c 3 O ) c c 2 ) c c c 1 O | 6.7 | 8,360 |
<PKT> R L D T G A D D T V I G G I F L T P V N I R R L D T G A D D T V I G G I G G L T P V I <SMI> C C ( C ) [ C @ H ] ( N C ( = O ) [ C @ H ] ( O C c 1 c c c c c 1 ) [ C @ H ] ( O ) [ C @ @ H ] ( O ) [ C @ @ H ] ( O C c 1 c c c c c 1 ) C ( = O ) N [ C @ H ] ( C ( = O ) N C c 1 c c c c n 1 ) C ( C ) C ) C ( = O ) N C c 1 c c c c n 1 | 9.04 | 3,855 |
<PKT> I V C G A H L D I G N Y V K G S C Q G D S G G I V S W G Y G C A L N P D V Y L S G V <SMI> N C ( = [ N H 2 + ] ) c 1 c c c c c 1 | 1.82 | 9,292 |
<PKT> R L D T G A D D I G G I G F T P V I R R L D T G A D D T V K I G G I G L T P V I G <SMI> C O c 1 c c c ( S ( = O ) ( = O ) N ( C C ( C ) C ) C [ C @ @ H ] ( O ) [ C @ H ] ( C c 2 c c c c c 2 ) N C ( = O ) [ C @ @ H ] 2 C N ( c 3 c c c ( C ( C ) = O ) c c 3 ) C ( = O ) O 2 ) c c 1 | 11.4 | 15,833 |
<PKT> E K I G K G S F G E V F K V V A I K I I E I L T K Y Y G W I I M E Y L G G G S A D L A A N V L L E L A D F G I Y K R W K A <SMI> C [ N H + ] 1 C C [ N H + ] ( C C O c 2 c c ( O C 3 C C O C C 3 ) c 3 c ( N c 4 c ( C l ) c c c 5 c 4 O C O 5 ) n c n c 3 c 2 ) C C 1 | 4.96 | 6,662 |
<PKT> Q T F M E G E R S P N E Y T W E E D P L A G I I P R L H V S L L E L L I V Y Q I L E K G A A K R T S V F S L D <SMI> C [ N H + ] ( C ) C C N C ( = O ) N C [ C @ H ] 1 C C [ C @ @ H ] 2 [ C @ H ] ( O 1 ) c 1 c c ( C ( F ) ( F ) F ) c c c 1 N [ C @ H ] 2 c 1 c c c c c 1 | 8.1 | 17,992 |
<PKT> H T K E T Y R H E K F I M A D A C Q G D S V S W G E G C A R Y G I Y <SMI> N C ( = [ N H 2 + ] ) c 1 c c c c ( C O C ( = O ) c 2 c c 3 c c c c c 3 n 2 C c 2 c c c c ( C ( N ) = [ N H 2 + ] ) c 2 ) c 1 | 7.55 | 6,392 |
<PKT> H Y W K N W R E N L D I D A C E G D S G V S W G E G C D R Y G F Y <SMI> C n 1 c c ( C N C ( = O ) [ C @ @ H ] 2 C = C C N 2 C ( = O ) [ C @ @ H ] ( C C 2 C C C C C 2 ) [ N H 2 + ] C C ( = O ) [ O - ] ) c c 1 C ( N ) = [ N H 2 + ] | 7.96 | 657 |
<PKT> W S R E C S A F A T L E E E K N L L I L Y D A G T L A D S K L F P L L E C L S S V A T A D K D F I V L D L L S G L A E G M E V Q S F A L L G D L K I S V C N N A T W A E K T L L E N T I T R S L N I R D N E E K D <SMI> C C ( C ) C [ C @ H ] ( N C ( = O ) [ C @ H ] ( C C C ( N ) = O ) N C ( = O ) [ C @ H ] ( C C C C [ N H 3 + ] ) N C ( = O ) [ C @ H ] ( C C C N C ( N ) = [ N H 2 + ] ) N C ( = O ) [ C @ @ H ] 1 C C C N 1 C ( = O ) [ C @ H ] ( C ) N C ( = O ) [ C @ H ] ( C C C C [ N H 3 + ] ) N C ( = O ) C N C ( = O ) C N C ( = O ) [ C @ @ H ] ( [ N H 3 + ] ) [ C @ @ H ] ( C ) O ) C ( = O ) N [ C @ @ H ] ( C ) C ( = O ) N [ C @ H ] ( C ( = O ) N [ C @ @ H ] ( C C C C [ N H 3 + ] ) C ( = O ) N [ C @ @ H ] ( C ) C ( = O ) N [ C @ @ H ] ( C ) C ( = O ) N [ C @ @ H ] ( C C C N C ( N ) = [ N H 2 + ] ) C ( = O ) N [ C @ @ H ] ( C C C C [ N H 3 + ] ) C ( = O ) [ O - ] ) [ C @ @ H ] ( C ) O | 6.98 | 6,052 |
<PKT> T V I T F M D N T I Y D R V R A Y A N A S A A W T V D I P M T V L E S V P V R A Y A N A S A <SMI> [ N H 3 + ] [ C @ @ H ] ( C c 1 c c c ( O ) c c 1 ) C ( = O ) [ O - ] | 4.41 | 1,632 |
<PKT> L G E G V V A V K I V E Y A K Y G S R N L S D <SMI> N c 1 n c n c 2 c 1 n c n 2 [ C @ @ H ] 1 O [ C @ H ] ( C O ) [ C @ @ H ] ( O ) [ C @ H ] 1 O | 4.84 | 751 |
<PKT> V A R V E M Y G G N S L K K C L R H F P S A C K T D D I E F G V N R T A A A P F <SMI> O = C ( [ O - ] ) C C ( = O ) [ O - ] | 1.3 | 5,252 |
<PKT> T T I D R R S T Q G M I S G R D V R K V Y G I A G T A A V A V E A Q G L L A L S A R L A M L L P V S F D A A G G W N I E Q A V K N <SMI> C C N ( C C ) C ( = O ) C [ C @ H ] ( N C ( = O ) C C c 1 c c c c c 1 ) C ( = O ) N [ C @ @ H ] ( C ) C ( = O ) N C c 1 c c c c 2 c c c c c 1 2 | 7.39 | 14,672 |
<PKT> G L L S R N N P S L H L L L V L P G H D W K G L K L F G N F V T I F M W G L F F V I <SMI> C C ( C ) C N 1 C ( = O ) / C ( = C / c 2 c c c ( O ) c c 2 ) S C 1 = S | 4.3 | 6,427 |
<PKT> K I G E G T G V V Y K V V A L K K I E L V K L L L V F E F L H Q D K Q N L I K L A D F G <SMI> B r c 1 c ( B r ) c ( B r ) c 2 [ n H ] n n c 2 c 1 B r | 4.81 | 4,750 |
<PKT> T S P I Y Y V N H G T D E H G Q K V A T V S R L W A I C V Y V W L D A L T N Y H V I G D I K F H Y W F <SMI> O C C n 1 c ( C [ N H 2 + ] C C C N c 2 n c 3 c c c c c 3 [ n H ] 2 ) c c 2 c ( C l ) c c ( C l ) c c 2 1 | 7.6 | 14,975 |
<PKT> E K I G V Y K V A L K V L F E F L H Q D K Q N L A D <SMI> C C ( C ) c 1 c n c ( N C ( = O ) C c 2 c c c n c 2 ) s 1 | 7.02 | 14,652 |
<PKT> L K D K P L G F Y I R D G I F I S R L V P G L A L V V V L D Q V T D M M V A S L I <SMI> C C ( = O ) N [ C @ H ] ( C ( = O ) N [ C @ @ H ] ( C C C C [ N H 3 + ] ) C ( = O ) N [ C @ @ H ] ( C C C ( = O ) [ O - ] ) C ( = O ) N [ C @ @ H ] ( C O ) C ( = O ) N [ C @ @ H ] ( C C ( C ) C ) C ( = O ) N [ C @ H ] ( C ( = O ) [ O - ] ) C ( C ) C ) C ( C ) C | 4.1 | 13,523 |
<PKT> I T R R E S E R E S E T T K A Y L S K H Y K I R <SMI> O = [ P + ] ( = O ) ( [ O - ] ) O c 1 c c c c 2 c 1 N C C C 2 | 3.52 | 6,013 |
<PKT> Q V I P K P A E G D G A V G E M I V T A V F T G S A V G R R I R E A T K <SMI> C C ( = O ) O c 1 c c c ( [ N + ] ( = O ) [ O - ] ) c c 1 | 2.89 | 12,308 |
<PKT> I C Q A A V P K S L Q L Q L Q A P L R L K L R L Q E I F E V L <SMI> N C ( = O ) C [ C @ H ] ( N C ( = O ) [ C @ H ] ( C c 1 c c c c c 1 ) N C ( = O ) [ C @ H ] ( C C ( = O ) [ O - ] ) N C ( = O ) [ C @ H ] ( C c 1 c [ n H ] c 2 c c c c c 1 2 ) N C ( = O ) [ C @ H ] ( C C ( = O ) [ O - ] ) N C ( = O ) [ C @ @ H ] 1 C C C [ N H 2 + ] 1 ) C ( N ) = O | 3.92 | 3,784 |
<PKT> A Y A W P F Y K P V D A L L D Y I M D M F N C Y K Y N P H D V V A M A <SMI> C C ( = O ) N 1 c 2 c c c c c 2 N ( C c 2 c c c c c 2 C ( = O ) [ O - ] ) C [ C @ @ H ] 1 C 1 C = C 1 | 6.1 | 10,596 |
<PKT> N D L G S N M Y T T A V T A T S N I K S F V W K F S E S T T V F T M W L L R S S V N D D D W K A T R V G I N I F T A T S L W K R N R T <SMI> O = C ( C C C C C N C ( = O ) C C C C [ C @ @ H ] 1 S C [ C @ @ H ] 2 N C ( = O ) N [ C @ @ H ] 2 1 ) N C C C C C C ( = O ) C 1 = C 2 C 3 = C 4 [ C @ @ H ] 1 [ F e + 1 0 ] 2 3 4 1 5 6 7 C 2 = C 1 C 5 C 6 = C 2 7 | 7.74 | 11,057 |
<PKT> G F P E H D W N V F D Y Q Y F A E L T S L F R A S S L S M V G L F V F L Y A K D F V L V C G H W <SMI> C c 1 c c c ( S C C ( = O ) c 2 c c c 3 c ( c 2 ) C C ( = O ) N 3 ) c c 1 | 5.15 | 4,548 |
<PKT> V L G S G F G T V Y K P V A I K E E M C R L I M Q L M P F G S D Y E H R N L V K T D F <SMI> C C C ( = O ) N c 1 c c c c ( - c 2 c ( - c 3 c c c ( N 4 C C [ N H + ] ( C ) C C 4 ) c c 3 ) [ n H ] c 3 n c n c ( O C ( C ) C ) c 2 3 ) c 1 | 8.07 | 9,361 |
<PKT> F Y G K V F R G Y Q R G N I L N L N G H D W I D P A E E F G L L N D S S I E G R V D R S K L G S G N D F E R R Y T K N W N K F S G Y Y H E R Y S N K Y A G <SMI> C C ( = O ) N C C O c 1 c c c c c 1 N C ( = O ) N C C C C [ C @ H ] ( N C ( = O ) N [ C @ @ H ] ( C C C ( = O ) [ O - ] ) C ( = O ) [ O - ] ) C ( = O ) [ O - ] | 8.12 | 5,135 |
<PKT> L G T G S F L K Q H E F S L R R I G R D L K P E N L L D G F W L C G T P E Y L Y V L E G Y P P F F A D P I Y F D Y <SMI> C C [ C @ H ] ( C ) [ C @ H ] ( N C ( = O ) [ C @ H ] ( C C C N C ( N ) = [ N H 2 + ] ) N C ( = O ) [ C @ H ] ( C C C N C ( N ) = [ N H 2 + ] ) N C ( = O ) [ C @ @ H ] ( N C ( = O ) [ C @ H ] ( C C C N C ( N ) = [ N H 2 + ] ) N C ( = O ) [ C @ H ] ( C C ( N ) = O ) N C ( = O ) [ C @ H ] ( C c 1 c c c ( O ) c c 1 ) N C ( = O ) [ C @ @ H ] ( [ N H 3 + ] ) C C ( C ) C ) [ C @ @ H ] ( C ) O ) C ( = O ) N [ C @ @ H ] ( C O ) C ( = O ) N [ C @ @ H ] ( C C C ( N ) = O ) C ( = O ) N [ C @ H ] ( C ( = O ) N [ C @ @ H ] ( C O ) C ( = O ) [ O - ] ) [ C @ @ H ] ( C ) O | 4.54 | 4,407 |
<PKT> W Y W S P N A N E F D L I Q F H F H E H E L H L V H W D F G K A V L A V L G G S L T T P P L L C V W N W R <SMI> C c 1 c c ( C ) [ n + ] ( C C c 2 c c c ( S ( N ) ( = O ) = O ) c c 2 ) c ( C ) c 1 | 7.68 | 16,417 |
<PKT> M K V L E T I A A L L Y S T T A V Y S Y T M V K V L D S P A S G E T I A A L L Y S T T A V S Y <SMI> O = C ( c 1 c c c ( O ) c c 1 O ) c 1 c c c ( O ) c c 1 O | 5.4 | 16,457 |
<PKT> P V T I P A V M F G V S V T I T Y W S I L L S Q Y P D T W C F L V N D L Q A I R I A S V N P I Y <SMI> C [ C @ @ H ] ( C ( = O ) N c 1 c c ( C # N ) c c c 1 C C C C ( = O ) [ O - ] ) c 1 c c c ( F ) c 2 c c c c c 1 2 | 7.23 | 13,618 |
<PKT> I F I I P A K F H D I S P Q H F L I S V V N E G G G Q S V Y H V H L H L R W <SMI> [ N H 2 + ] = c 1 [ n H ] c ( = O ) c 2 n c n ( [ C @ @ H ] 3 O [ C @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( O ) [ C @ H ] 3 O ) c 2 [ n H ] 1 | 6.18 | 553 |
<PKT> I V R H L C G A H C F Y Y M A E S D V G W G Y L I I Y H C A G K D A C K G D S G G I T S W G E G C A Q R P G V Y <SMI> C C ( C ) C C C ( = O ) N [ C @ H ] ( C ( = O ) N [ C @ @ H ] ( C C C N C ( N ) = [ N H 2 + ] ) [ C @ H ] ( O ) c 1 n c c s 1 ) C ( C ) C | 6.07 | 6,501 |
<PKT> Y Y K M A S K K K P L W G I I F K D L D L L Y G C M I E I V K D A T T I A K Q R H N D N I M I T F H I D F G H <SMI> C C ( C ) c 1 c c c ( - c 2 n c c n c 2 N 2 C C N ( S ( = O ) ( = O ) c 3 c c c c ( - c 4 c n c ( N ) n c 4 ) c 3 ) C C 2 ) c c 1 | 7.74 | 10,392 |
<PKT> K G Q G Y L V D T G S S N V P Y T Q G K W D K F F I S W I I A R Y K I D S G T T R T V <SMI> C C ( C ) ( C ) c 1 c c c c ( C [ N H 2 + ] [ C @ H ] 2 C [ S @ @ ] ( = O ) C [ C @ @ H ] ( C c 3 c c ( F ) c ( N ) c ( O C ( C ( F ) ( F ) F ) C ( F ) ( F ) F ) c 3 ) [ C @ @ H ] 2 O ) c 1 | 7.06 | 13,764 |
<PKT> V S V C A V A V K K E L I G L L D Y L V T H L M G A D L N P S N L A V N L D <SMI> O = c 1 n c n 2 n c ( S c 3 c c c ( F ) c c 3 F ) c c c 2 c 1 - c 1 c ( C l ) c c c c 1 C l | 7.15 | 4,596 |
<PKT> T L G E V V A V K V K L E Y C S G G E E L L I S D <SMI> C N ( C C O ) c 1 n c n c 2 o c ( - c 3 c c c c c 3 ) c ( - c 3 c c c c c 3 ) c 1 2 | 5.21 | 4,201 |
<PKT> N D G Y A F A Y S L R Y D T D V Y Y P S S Y S L N F A M L P V L Y Q L K F Y V F I E V L P M L A L G F M A A R F I Y Y R D G G K H L <SMI> C C ( = O ) N [ C @ @ H ] 1 [ C @ @ H ] ( O ) [ C @ H ] ( O ) [ C @ @ H ] ( C O ) O [ C @ @ H ] 1 C [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C / C = C ( / C ) C C / C = C ( / C ) C C / C = C ( / C ) C C C = C ( C ) C | 4.31 | 3,894 |
<PKT> K R G E Y I K N N I C Q W T T V I E R T T K S R H F L T A L M E A L Y L E K N V V Y R D L K N K I T D F G L C K E G I F C G T Y L V D Y D <SMI> C C C ( = O ) N c 1 c c ( N C ( = O ) N C 2 C C [ N H + ] ( C c 3 c c c ( - c 4 n c 5 c ( c c 4 - c 4 c c c c c 4 ) C ( = O ) N = C C 5 ) c c 3 ) C C 2 ) c c c 1 C l | 7.76 | 11,564 |
<PKT> T T A I A Y P N H E G T D E H G I K M L T H I S R F W G I V M Y V W V D A L T N Y I I G D I S R F H Y W F <SMI> O = C ( N C C C [ N H 2 + ] C c 1 c c ( C l ) c c ( C l ) c 1 ) N c 1 c c s c 1 | 6.57 | 576 |
<PKT> I G E G Y G M V C S R V A I K R E L I G N I V Q D L M E T D L Y K L S N L L L N K I C D F G <SMI> c 1 c n c c ( - c 2 c [ n H ] c 3 n c c ( - c 4 c n [ n H ] c 4 ) n c 2 3 ) c 1 | 6.55 | 2,730 |
<PKT> L S L N E L G E Q W M M V A M R Y F A M M L H F T F L V F M I <SMI> C [ C @ ] 1 2 C C C ( = O ) C [ C @ @ H ] 1 C C [ C @ @ H ] 1 [ C @ @ H ] 2 C C [ C @ ] 2 ( C ) [ C @ @ H ] ( O ) C C [ C @ @ H ] 1 2 | 6.04 | 6,128 |
<PKT> M T D I G E Y F L G L F H T H F P Q R F I I <SMI> O = C ( [ O - ] ) c 1 c c c c c 1 O | 5.47 | 7,854 |
<PKT> I G E V V A L K E L V K L F E F L H Q D K Q N L L L A D <SMI> C N c 1 n c ( C ) c ( - c 2 n c ( N c 3 c c c c ( O ) c 3 ) n c c 2 C # N ) s 1 | 7.92 | 9,372 |
<PKT> K W V R T T R A D G V A V Q R P P E F P A G L I D R E E E M C T I H D G E D R L E K T Y R T W E S V M D P G L S <SMI> C c 1 c c c c ( - c 2 n n c ( C n 3 c ( N ( C ) C ) n c 4 c 3 c ( = O ) n ( C ) c ( = O ) n 4 C ) o 2 ) c 1 | 7.15 | 47 |
<PKT> R Q F L D D D R T Q D K T Y S Q D D D K S D K <SMI> O = [ P + ] ( = O ) ( [ O - ] ) C ( O ) ( C n 1 c c [ n H + ] c 1 ) [ P + ] ( = O ) ( = O ) [ O - ] | 7.97 | 11,482 |
<PKT> A R D T N M A W F E A V K Y D D Y P E N G V M Y N P D N E R G F Y R S G P C V C A C R D K Q L M C D E C D M A F H L S V P S E D E W <SMI> C [ C @ H ] ( [ N H 3 + ] ) C ( = O ) N [ C @ @ H ] ( C C C N C ( N ) = [ N H 2 + ] ) C ( = O ) N [ C @ H ] ( C ( = O ) N [ C @ @ H ] ( C C C C [ N H 3 + ] ) C ( = O ) N [ C @ @ H ] ( C C C ( N ) = O ) C ( = O ) N [ C @ H ] ( C ( = O ) N [ C @ @ H ] ( C ) C ( = O ) N [ C @ @ H ] ( C C C N C ( N ) = [ N H 2 + ] ) C ( = O ) N [ C @ @ H ] ( C C C C [ N + ] ( C ) ( C ) C ) C ( = O ) N [ C @ @ H ] ( C O ) C ( = O ) [ O - ] ) [ C @ @ H ] ( C ) O ) [ C @ @ H ] ( C ) O | 6.43 | 18,813 |
<PKT> T S P I Y Y V N G D E H G Q K V A T E L V R L W A I V Y V W L D A L T N Y V I G D I L K F H Y W F <SMI> C l c 1 c c ( C l ) c c ( C [ N H 2 + ] C C C N c 2 n c 3 c c c c c 3 [ n H ] 2 ) c 1 | 7.34 | 6,369 |
<PKT> R R Y R D V L T Q G L N R E K C W P D F G V H C S A G I G R S G T R M G L I Q T Q <SMI> C N 1 C C O c 2 c c ( S ( = O ) ( = O ) N [ C @ @ H ] ( C c 3 c c c ( [ C @ @ H ] 4 C C ( = O ) N S 4 ( = O ) = O ) c c 3 ) c 3 n c 4 c c c c c 4 [ n H ] 3 ) c c c 2 1 | 7.23 | 2,214 |
<PKT> F W A K P E G L F L Q I V A E F S A T A K G R V R L V A D M V G T F M K Y W G F L Q K G N D D H Q Y S R Y S F F <SMI> O = C ( C c 1 c c c c c 1 C ( F ) ( F ) F ) N 1 C C N ( c 2 n c n c 3 s c 4 c ( c 2 3 ) C C C 4 ) C C 1 | 6.55 | 13,437 |
<PKT> L G R G S V V K E I T L F E H V N H N M I D W G <SMI> O = c 1 o c 2 c ( O ) c ( O ) c c 3 c ( = O ) o c 4 c ( O ) c ( O ) c c 1 c 4 c 2 3 | 7.7 | 14,866 |
<PKT> K E R S A F Y A R T N R T N A A A E F W E G C F W P G V T R I M Q W D G W L W D Y F Q D F V T K F R H P A S N R T W T N Y T Q C N V <SMI> C C ( C ) [ C @ H ] ( N C ( = O ) [ C @ @ H ] 1 C C C N 1 C ( = O ) [ C @ H ] ( C ) N C ( = O ) [ C @ H ] ( C O ) N C ( = O ) [ C @ @ H ] ( [ N H 3 + ] ) C C ( = O ) [ O - ] ) C ( = O ) N [ C @ @ H ] ( C C ( = O ) [ O - ] ) C ( = O ) N 1 C C C [ C @ H ] 1 C ( = O ) N [ C @ @ H ] ( C O ) C ( = O ) N [ C @ @ H ] ( C O ) C ( = O ) N 1 C C C [ C @ H ] 1 C ( = O ) N [ C @ @ H ] ( C c 1 c [ n H ] c n 1 ) C ( = O ) N [ C @ @ H ] ( C O ) C ( = O ) N [ C @ @ H ] ( C c 1 c c c ( O ) c c 1 ) C ( N ) = O | 5.44 | 14,516 |
<PKT> L L L M K E V L F Y L G Q Y I M T R L Y D Q H I V Y C L F F S V K E H R K I Y T M I <SMI> O = C ( [ O - ] ) c 1 [ n H ] c 2 c c ( C l ) c c c 2 c 1 - c 1 c ( - c 2 c c c c c 2 ) n c n 1 C c 1 c c c ( C l ) c c 1 | 6.04 | 4,564 |
<PKT> S H T S D V G G R D Q L W A Y T F P G Q K T R L A D Y C A V A <SMI> C c 1 c c c c ( N c 2 c c ( S ( = O ) ( = O ) [ O - ] ) c ( N ) c 3 c 2 C ( = O ) c 2 c c c c c 2 C 3 = O ) c 1 | 4.89 | 14,380 |
<PKT> V K L H F D M G T L G L A Y G G S G L T S N Y I L T K E A D L V T T H E L G H N A E H D E G G K Y V M Y P I A V S G D H N N K M <SMI> C c 1 c c ( C O c 2 c c c ( [ C @ ] 3 ( C ) C C N ( [ C @ H ] ( C ) C ( = O ) N O ) C 3 = O ) c c 2 ) c 2 c c c c c 2 n 1 | 11.7 | 17,242 |
<PKT> G K S G Q G Y Y L V D T G S S N Y V P Y T Q G K W I S D K F F I N S W I L G L A Y E I A R W Y Y K I V D S G T T N R R S T V G A <SMI> C C O C [ C @ @ H ] ( O c 1 c c ( C [ C @ @ H ] 2 C S ( = O ) ( = O ) C [ C @ H ] ( [ N H 2 + ] C c 3 c c c c ( C ( C ) ( C ) C ) c 3 ) [ C @ H ] 2 O ) c c ( F ) c 1 N ) C ( F ) ( F ) F | 8.7 | 9,881 |
<PKT> L T F V M E E G R K A R G T G E L T Q L L N A K Y I R V A L M D C M R <SMI> N c 1 n c 2 c ( s 1 ) C c 1 c c c c ( O C [ P + ] ( = O ) ( = O ) [ O - ] ) c 1 - 2 | 6.91 | 15,212 |
<PKT> E I G E G T G V K V A K V K F E F L H Q D K Q N L L A D L <SMI> N c 1 n c ( N c 2 c c c c ( F ) c 2 ) s c 1 C ( = O ) c 1 c c c c c 1 | 5.24 | 5,576 |
<PKT> M S P W I K D L D L Y G C I E I V K D A T T K D N M F H I D F <SMI> C c 1 n c ( N ) n c ( - n 2 c ( N c 3 c c [ n H ] n 3 ) n c 3 c c c c c 3 2 ) n 1 | 6.49 | 12,113 |
<PKT> M N F L I L T E M A T N H V A V E A M F L R S A L R I R S I Y I M F Y F H H M L W K F T P L L C E I W <SMI> C c 1 c c c c ( C ) c 1 N c 1 c ( - c 2 c ( F ) c c c c 2 F ) n c 2 c c c c ( C ) n 1 2 | 5.33 | 1,944 |
<PKT> P L G E G C F G Q V V L A K V A V K M D L E M M I I N L L G Y V I V E Y A S K G N L R E Y H A R N V L V T K I A D F G L <SMI> C C C ( = O ) N c 1 c c c c ( C ) c 1 N c 1 n c c ( O C c 2 c ( C l ) c ( O C ) c c ( O C ) c 2 C l ) c n 1 | 7.95 | 16,705 |
<PKT> D G T W N G G G Y S G L Y E S A W L S I F R F S Y F Y G W M P H G Y I <SMI> N c 1 c 2 c ( n c 3 c c ( C l ) c c c 1 3 ) C [ C @ H ] 1 C = C ( C C C C n 3 c c ( C O ) n n 3 ) C [ C @ @ H ] 2 C 1 | 9.37 | 1,450 |
<PKT> K N V V G G Q R A A W R V L K D Y R Y E Y G L A L N F S V F E I I L L D N L W <SMI> O = C ( C O c 1 c c c c c 1 [ P + ] ( = O ) ( = O ) [ O - ] ) N c 1 c c c c ( C l ) c 1 | 4.49 | 4,032 |
<PKT> N H L T L W D S G A Y L W L C L S L Y T H Y A W N S Y E H L R C P Y K M <SMI> O = c 1 [ n H ] n 2 c c ( - c 3 n [ n H ] c ( - c 4 c n c 5 c ( B r ) c ( = O ) [ n H ] n 5 c 4 ) c 3 [ N + ] ( = O ) [ O - ] ) c n c 2 c 1 B r | 6.36 | 13,956 |
<PKT> M I L N V H D I G G E S T R P G F S I D T Y I N D I W G I L M H I L D P G I G F K L L G T S R K F V V R H <SMI> N = C 1 N = C ( N C C C O c 2 c c c ( C ( = O ) [ O - ] ) c c 2 ) C ( N = O ) C ( = O ) N 1 | 4.71 | 12,350 |
<PKT> K L G R G Y S E V F E A V V V K I L E L I T L L V F E H V N N H D K H N M R L I D W G L <SMI> C O c 1 c c ( / C = C / C ( C ) = O ) c c c 1 O | 4.18 | 16,329 |
<PKT> K L Y F W F D T L Y E Q S W R R V V K W H K G W N W N W T S Y <SMI> N c 1 n c ( = O ) c 2 n c ( C N c 3 c c c ( C ( = O ) N [ C @ @ H ] ( C C C ( = O ) [ O - ] ) C ( = O ) [ O - ] ) c c 3 ) c n c 2 [ n H ] 1 | 9.72 | 12,674 |
<PKT> D Y S W T H H V T Y S C C E Y K I W Q R T W Q V S V I T P Q L A R V V L Y M P S E Y <SMI> O = [ N + ] ( [ O - ] ) N c 1 n c c n 1 C c 1 c c c ( C l ) n c 1 | 6.29 | 16,296 |
<PKT> F H G S P F R H A Y I Y F A N K S N Y G I A E Y <SMI> N # C c 1 c c c ( - c 2 c c ( = O ) c 3 c c c c c 3 o 2 ) c c 1 | 6.84 | 15,132 |
<PKT> D L G T G D G N I D P V N A A A E L I L F P W G T L L Y I F S L W A R <SMI> N c 1 n c n c 2 c 1 [ n H + ] c n 2 [ C @ @ H ] 1 O [ C @ H ] ( C S C C [ C @ H ] ( [ N H 3 + ] ) C ( = O ) [ O - ] ) [ C @ @ H ] ( O ) [ C @ H ] 1 O | 6.22 | 7,725 |
<PKT> M R Y F S A A F I A M G F V F M V E E Y W E E T R N T K A H A Q T D R M N L Q T L Y L Q W M I G E R Y A Y Y L A L W A A Q I S K R K C A N V A Q R R A Y L T C E W L R Y <SMI> C C [ C @ H ] ( C ) [ C @ H ] ( N C ( = O ) [ C @ @ H ] ( [ N H 3 + ] ) C C C N C ( N ) = [ N H 2 + ] ) C ( = O ) N [ C @ H ] ( C ( = O ) N 1 C C C [ C @ H ] 1 C ( = O ) N [ C @ @ H ] ( C C C N C ( N ) = [ N H 2 + ] ) C ( = O ) N [ C @ @ H ] ( C c 1 c [ n H ] c n 1 ) C ( = O ) N [ C @ @ H ] ( C C ( C ) C ) C ( = O ) N [ C @ @ H ] ( C C C ( N ) = O ) C ( = O ) N [ C @ @ H ] ( C C ( C ) C ) C ( = O ) [ O - ] ) [ C @ @ H ] ( C ) C C | 5.37 | 2,781 |
<PKT> S N S V Q Q S R I H C T R S D A F F P F R D N V S G S A A D K V R F K H A R D R M S S F G D E V S D K K A E S N A D Q <SMI> N c 1 n c 2 c c c ( S ( = O ) ( = O ) N c 3 c c c ( C ( = O ) N [ C @ @ H ] ( C C C ( = O ) [ O - ] ) C ( = O ) [ O - ] ) c c 3 ) c c 2 c ( = O ) [ n H ] 1 | 8.1 | 7,655 |
<PKT> I G T F G V F K A K V A L K E L V V N L I L V F D F C E H D H A N L I T R K L A D F G L A <SMI> N c 1 n [ n H ] c ( N ) c 1 / N = N / c 1 c c c ( O ) c c 1 | 6.46 | 16,267 |
<PKT> L L G K G T F G K V I L Y A M K I L K V I K D E V A H T L T E L T A L F M E Y A N G G E L F Y D K L E N L M L D K I T D F G L T Y F D F T F <SMI> C C O C C N ( C [ C @ @ H ] ( O ) C [ N + ] 1 C C C [ C @ @ ] 2 ( C C ( = O ) c 3 c c ( O ) c c c 3 O 2 ) C 1 ) S ( = O ) ( = O ) c 1 c ( C ) c c c c 1 C | 6.52 | 8,359 |
<PKT> F Y S P G R V F D S T S C N T N G D D S C S S L T R S G N M Y Q I Y G A H G Y S G <SMI> C c 1 c c ( C N 2 C ( = O ) C ( C 3 = N S ( = O ) ( = O ) c 4 c 3 c c c 3 c 4 C N ( S ( C ) ( = O ) = O ) C C 3 ) = C ( O ) [ C @ @ H ] 2 C ( C ) ( C ) C ) c c c 1 F | 8.3 | 13,536 |
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