Spreadsheet: fca95c13-074f-47f9-9f56-4d3cc0144d0f
Sheet: Sheet1

Table S3. Composition of amino acids in catalytic and allosteric sites of 56 allosteric proteins | Unnamed: 1 | Unnamed: 2 | Unnamed: 3 | Unnamed: 4 | Unnamed: 5 | Unnamed: 6 | Unnamed: 7
(A) Catalytic and allosteric site residues were obtained from annotations of curated databases.
Amino Acid | N (Catalytic) | N (Allosteric) | Freq (Catalytic) | [NAME] (Allosteric) | one tailed P-value (Catalytic vs. [NAME]) | two tailed P-value (Catalytic vs. [NAME]) | Odd ratio
PRO | 0 | 20 | 0 | 0.041 | 0.000668571556236 | 0.000897885327432 | -
TRP | 0 | 13 | 0 | 0.027 | 0.00889165198399 | 0.0128054626567 | -
LEU | 1 | 40 | 0.005 | 0.082 | 4.73932299816e-06 | 5.98957317576e-06 | 16.4
VAL | 1 | 29 | 0.005 | 0.059 | 0.000231929093679 | 0.00035983746772 | 11.8
ILE | 1 | 18 | 0.005 | 0.037 | 0.00924311183423 | 0.019413793275 | 7.399999999999999
PHE | 2 | 25 | 0.009 | 0.051 | 0.00419082187379 | 0.00873236620225 | 5.666666666666667
MET | 2 | 22 | 0.009 | 0.045 | 0.0102713322055 | 0.0212039023408 | 5
TYR | 3 | 34 | 0.014 | 0.069 | 0.00101983784223 | 0.00152305296722 | 4.928571428571429
GLN | 1 | 10 | 0.005 | 0.02 | 0.108472653281 | 0.187340107149 | 4
GLY | 7 | 22 | 0.033 | 0.045 | 0.308703682356 | 0.541033491402 | 1.363636363636364
ALA | 5 | 14 | 0.024 | 0.029 | 0.465029310726 | 0.805174115768 | 1.208333333333333
ASN | 11 | 28 | 0.052 | 0.057 | 0.468798227984 | 0.859102637417 | 1.096153846153846
SER | 15 | 26 | 0.071 | 0.053 | 0.226211966425 | 0.382201991226 | 0.7464788732394366
ARG | 36 | 61 | 0.17 | 0.124 | 0.0711921060216 | 0.121676081217 | 0.7294117647058823
THR | 18 | 24 | 0.085 | 0.049 | 0.0503535328507 | 0.0819805731875 | 0.5764705882352941
CYS | 7 | 8 | 0.033 | 0.016 | 0.132491273149 | 0.165202690511 | 0.4848484848484849
LYS | 25 | 27 | 0.118 | 0.055 | 0.00370421460653 | 0.00470075442187 | 0.4661016949152543
HIS | 21 | 23 | 0.099 | 0.047 | 0.00874891108316 | 0.0111206221245 | 0.4747474747474748
GLU | 21 | 26 | 0.099 | 0.053 | 0.0213201227642 | 0.0319322469771 | 0.5353535353535354
ASP | 35 | 20 | 0.165 | 0.041 | 9.15378045982e-08 | 1.18512505935e-07 | 0.2484848484848485
LYS+HIS+GLU+ASP | 102 | 96 | 0.4811320754716981 | 0.1959183673469388 | 4.58390897040631e-14 | 5.48416223702e-14 | 0.4072028811524609
PRO+TRP+LEU+VAL+ILE+PHE+MET+TYR | 10 | 201 | 0.04716981132075472 | 0.4276595744680851 | 2.28637712401867e-26 | 2.87667739413335e-26 | 9.066382978723404
(B) Catalytic and allosteric site residues were defined as amino acid residues within 6 Å of the respective substrates.
Amino Acid | N (Catalytic) | N (Allosteric) | Freq (Catalytic) | [NAME] (Allosteric) | one tailed P-value (Catalytic vs. [NAME]) | two tailed P-value (Catalytic vs. [NAME]) | Odd ratio
PRO | 10 | 40 | 0.019 | 0.051 | 0.00183433808448 | 0.00297645302584 | 2.684210526315789
VAL | 19 | 55 | 0.036 | 0.07 | 0.00575711196564 | 0.0100196909788 | 1.944444444444445
TRP | 3 | 14 | 0.006 | 0.018 | 0.0451449357622 | 0.0792405383845 | 3
MET | 14 | 35 | 0.027 | 0.045 | 0.0622326817585 | 0.10348519737 | 1.666666666666667
LEU | 26 | 57 | 0.05 | 0.073 | 0.0583113942328 | 0.105293964441 | 1.46
CYS | 3 | 11 | 0.006 | 0.014 | 0.122523489755 | 0.180134796942 | 2.333333333333333
ARG | 42 | 79 | 0.08 | 0.101 | 0.123302606752 | 0.242438514227 | 1.2625
TYR | 18 | 36 | 0.034 | 0.046 | 0.188916156501 | 0.324523324871 | 1.352941176470588
GLN | 13 | 26 | 0.025 | 0.033 | 0.243649571802 | 0.412397210996 | 1.32
ILE | 29 | 47 | 0.056 | 0.06 | 0.414591038221 | 0.80965291471 | 1.071428571428571
GLU | 24 | 38 | 0.046 | 0.049 | 0.469460290624 | 0.894733147748 | 1.065217391304348
PHE | 21 | 31 | 0.04 | 0.04 | 0.532786163372 | 1 | 1
HIS | 21 | 25 | 0.04 | 0.032 | 0.259757502814 | 0.446345805323 | 0.8
ALA | 33 | 41 | 0.063 | 0.052 | 0.240024842499 | 0.463810263005 | 0.8253968253968254
LYS | 29 | 34 | 0.056 | 0.043 | 0.193096898181 | 0.356633435068 | 0.7678571428571428
THR | 45 | 53 | 0.086 | 0.068 | 0.129570426564 | 0.23852592937 | 0.7906976744186047
SER | 33 | 33 | 0.063 | 0.042 | 0.0594697911671 | 0.0948605374069 | 0.6666666666666667
GLY | 59 | 62 | 0.113 | 0.079 | 0.0256631995805 | 0.0412573549213 | 0.6991150442477876
ASN | 34 | 29 | 0.065 | 0.037 | 0.01525893289 | 0.0246953936549 | 0.5692307692307692
ASP | 46 | 36 | 0.088 | 0.046 | 0.00174953056612 | 0.00337051390695 | 0.5227272727272727
LYS+HIS+GLU+ASP | 172 | 160 | 0.3295019157088123 | 0.2046035805626598 | 3.25389763197102e-07 | 5.40607792147783e-07 | 0.6209480758936538
PRO+TRP+LEU+VAL+ILE+PHE+MET+TYR | 135 | 327 | 0.263671875 | 0.4407008086253369 | 1.79674288900066e-09 | 3.10039301249405e-09 | 1.671398622342019