A0A5K4F2R0_SCHMA Loading...

SH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2R0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,003 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.6Very low36.5Very low237 Ų237160.9 Ų160.9100%1.16780%0.796SS**  0140.20-88.2168.164.300108.3
2I38.2Very low36.2Very low168 Ų168159.6 Ų159.686%0.86279%0.794SS**  trans83.382.4-176-43.1173.7000113.3
3Q36.4Very low36.3Very low180 Ų180159.6 Ų159.684%0.84179%0.79SS**PPolyproline II helixtrans-83134165.5-136.5173.16.600107.8H5Q3-H5 PolarHBondContact O-N 3.32Å
4P41.6Very low36.1Very low121 Ų121157.9 Ų157.979%0.78679%0.793SS**PPolyproline II helixtrans-75.1121.5178.127.9-29.6000110.3Q6P4-Q6 PolarHBondContact O-N 3.11Å
5H35.6Very low36.1Very low171 Ų171157.9 Ų157.979%0.79280%0.795SS**PPolyproline II helixtrans-58.5121.8177.5-96.4-93.1000111.9Q3 I7Q3-H5 PolarHBondContact O-N 3.32Å; H5-I7 HydrophobicContact CB-CG1 4.28Å
6Q37.8Very low36Very low185 Ų185155.1 Ų155.186%0.86480%0.795SS**PPolyproline II helixtrans-77.3121.6152.4-69.2-170.6-17.600107.4P4P4-Q6 PolarHBondContact O-N 3.11Å
7I36.8Very low35.6Very low123 Ų123159.6 Ų159.663%0.63180%0.802SS**  trans-114101.5169-63.6172.8000105.6H5H5-I7 HydrophobicContact CB-CG1 4.28Å
8E34.5Very low35.5Very low158 Ų158162.5 Ų162.574%0.73881%0.809SS**  trans-66.9119.1161.8-77.6175.7148.800108.3
9H33.6Very low35.2Very low156 Ų156158.4 Ų158.472%0.72280%0.797SS**  trans-106.294.5161-92.9-77.8000108.2
10H35Very low34.7Very low141 Ų141159.9 Ų159.965%0.65380%0.799SS**  trans-88.398.3161-78.8-71.9000108.3
11D35.9Very low34.6Very low130 Ų130160.6 Ų160.670%0.69580%0.799SS**  trans-119.588.4163.1-83-44.8000109.4Q13D11-Q13 PolarHBondContact O-N 3.04Å
12N33.3Very low34.5Very low145 Ų145154 Ų15478%0.77578%0.776SS**  trans-69.3100.1163.9-73.7-39.3000108.6
13Q37.2Very low34.3Very low160 Ų160151.9 Ų151.975%0.74877%0.767SS**  trans-109.587.9162.5-73.7-170.420.600110.2D11 L15D11-Q13 PolarHBondContact O-N 3.04Å; Q13-L15 PolarHBondContact O-N 3.42Å
14T33.8Very low34.1Very low135 Ų135150.6 Ų150.683%0.82877%0.766SS**  trans-63.9102.6158.239.60000109.4
15L36.1Very low33.5Very low158 Ų158154.3 Ų154.383%0.82777%0.77SS**  trans-96.3114167.4-83.2162.8000109.6Q13Q13-L15 PolarHBondContact O-N 3.42Å
16S34.1Very low33.3Very low114 Ų114154.8 Ų154.880%0.79777%0.773SS**  trans-59.5133.5-176-730000114.2K18S16-K18 PolarHBondContact O-N 3.01Å
17Y29.9Very low32.7Very low231 Ų231152.6 Ų152.691%0.90677%0.772SS**  trans-55.2115.1162.8-126.9-105.8000110.2
18K34Very low32.4Very low212 Ų212152 Ų15292%0.92278%0.778SS**  trans-93.5112.5163.8-86.3-173176.1-178.40108.6S16S16-K18 PolarHBondContact O-N 3.01Å
19S28.9Very low32.1Very low85 Ų85154 Ų15459%0.59479%0.785SS**  trans-97.5143.117683.30000111.7
20F26.5Very low32Very low188 Ų188151.8 Ų151.883%0.82579%0.787SS**  trans61.4114156.5-62.8-73000119.8
21Q32.4Very low31.6Very low174 Ų174153.2 Ų153.281%0.81380%0.798SS**  trans-147.895.5135.3-144.2160.84.100109.5N23Q21-N23 PolarHBondContact O-N 3.24Å
22S33Very low31.5Very low98 Ų98152.8 Ų152.869%0.68580%0.8SS**  trans-76.5101.9167.2410000108.2
23N33.9Very low31.2Very low124 Ų124155.4 Ų155.466%0.66381%0.808SS**  trans-90.4100.3170.8-73.5-21.8000108.6Q21 F25Q21-N23 PolarHBondContact O-N 3.24Å; N23-F25 PolarHBondContact O-N 3.15Å
24D31.6Very low30.9Very low154 Ų154152.4 Ų152.482%0.82481%0.805SS**  trans-65.2109.4160.4-68.2-45.3000108.1
25F28.7Very low30.7Very low198 Ų198150.8 Ų150.887%0.86880%0.799SS**  trans-119.4131.9168-117.1-92.5000111.1N23N23-F25 PolarHBondContact O-N 3.15Å
26Q31.6Very low30.4Very low182 Ų182151.2 Ų151.285%0.8580%0.8SS**  trans-73.1150.1-157.7-63178.4-1.600113.6S28Q26-S28 PolarHBondContact O-N 3.45Å
27V25.9Very low30.3Very low138 Ų138153 Ų15384%0.83680%0.801SS**  trans-69.4101.6172.5178.50000109.7K29V27-K29 PolarHBondContact O-N 3.27Å
28S30.4Very low30.2Very low110 Ų110145.2 Ų145.277%0.76979%0.791SS**  trans-85.2101.816748.60000110.2Q26 S30Q26-S28 PolarHBondContact O-N 3.45Å; S28-S30 PolarHBondContact O-N 3.38Å
29K29Very low29.9Very low201 Ų201144.3 Ų144.387%0.87479%0.789SS**  trans-73.399.6159.8-83.3178.3174.4176.30108.1V27V27-K29 PolarHBondContact O-N 3.27Å
30S31.2Very low30Very low110 Ų110146.8 Ų146.877%0.76980%0.801SS**  trans-110.4110164.571.50000110.2S28S28-S30 PolarHBondContact O-N 3.38Å
31L26.6Very low30.3Very low170 Ų170143.5 Ų143.589%0.8980%0.796SS**  trans-74.5112.6169-169.1115.3000108.4
32V32.9Very low30.2Very low121 Ų121144.3 Ų144.373%0.73380%0.8SS**  trans-150.3113.4152.6-176.20000109.1S34V32-S34 PolarHBondContact O-N 3.2Å
33E27.4Very low30.2Very low200 Ų200145.5 Ų145.594%0.93580%0.803SS**  trans-73.5109.9166.2-167.4160.5-157.800107.7
34S31.8Very low30.1Very low98 Ų98144.3 Ų144.369%0.68580%0.804SS**  trans-143.9116.1173.963.50000112.5V32V32-S34 PolarHBondContact O-N 3.2Å
35S29Very low30.3Very low101 Ų101144.3 Ų144.371%0.70680%0.802SS**  trans62.698.2146.2-152.30000118.5N37S35-N37 PolarHBondContact O-N 3.32Å
36I29.8Very low30.6Very low166 Ų166141.2 Ų141.285%0.85180%0.795SS**  trans-30.7111.5137.2-45.3161.7000109.8
37N32.9Very low30.9Very low153 Ų153141.7 Ų141.782%0.81880%0.797SS**  trans-155.3134.7151.9-105.3-18.6000109.7S35S35-N37 PolarHBondContact O-N 3.32Å
38G26.6Very low31.4Very low67 Ų67141.1 Ų141.169%0.69179%0.794SS**  trans-73.2178.5-160.700000116.1
39Q27.6Very low31.8Very low192 Ų192140.7 Ų140.790%0.89779%0.791SS**  trans71.482.9163.3-56.7-177.83.600116.4
40V30.8Very low32.4Very low138 Ų138140.8 Ų140.884%0.83679%0.792SS**  trans-136.6100.2149.1-173.30000109.9
41T32.8Very low32.8Very low119 Ų119144.5 Ų144.573%0.7379%0.794SS**  trans39.3111.8134.2-35.40000118.2V43T41-V43 PolarHBondContact O-N 3.05Å
42H30.3Very low33.6Very low190 Ų190142.3 Ų142.388%0.8879%0.79SS**  trans-43.8107.4164.7-132.1-97000111S44H42-S44 PolarHBondContact O-N 2.96Å
43V32.9Very low34.2Very low124 Ų124141.1 Ų141.175%0.75279%0.787SS**  trans-72.1113171.2-179.20000107.3T41 I45T41-V43 PolarHBondContact O-N 3.05Å; V43-I45 PolarHBondContact O-N 2.69Å
44S31.7Very low34.8Very low98 Ų98135.2 Ų135.269%0.68578%0.78SS**  trans-57.4104.1169.4-178.10000108.1H42 D46H42-S44 PolarHBondContact O-N 2.96Å; S44-D46 PolarHBondContact O-N 3.22Å
45I37Very low35.1Very low155 Ų155140.5 Ų140.580%0.79579%0.785SS**  trans-68104.8172.4-64.1169.8000106.1V43 Q47V43-I45 PolarHBondContact O-N 2.69Å; I45-Q47 PolarHBondContact O-N 3.08Å
46D34.6Very low35.6Very low132 Ų132141.1 Ų141.171%0.70679%0.789SS**  trans-44124.3173.1-77.9-44.3000109.9S44 T48S44-D46 PolarHBondContact O-N 3.22Å; D46-T48 PolarHBondContact O-N 2.88Å
47Q36.9Very low36.1Very low193 Ų193144.6 Ų144.690%0.90279%0.792SS**  trans-6290170-68.2-179.921.500107.4I45 S49I45-Q47 PolarHBondContact O-N 3.08Å; Q47-S49 PolarHBondContact O-N 3Å
48T37.5Very low36.6Very low125 Ų125142 Ų14277%0.76779%0.791SS**  trans-55107.6168.951.90000106.9D46 K50D46-T48 PolarHBondContact O-N 2.88Å; T48-K50 PolarHBondContact O-N 2.75Å
49S39.3Very low37.3Very low102 Ų102150 Ų15071%0.71380%0.8SS**  trans-35.1103.6174.252.30000110.8Q47 K51Q47-S49 PolarHBondContact O-N 3Å; S49-K51 PolarHBondContact O-N 2.86Å
50K40.6Very low37.9Very low203 Ų203146 Ų14688%0.88379%0.793SS**  trans-6692.4167.8-75.4-178.8179.6174.50106.3T48 P52T48-K50 PolarHBondContact O-N 2.75Å; K50-P52 WeakPolarHBondContact O-CD 3.22Å; K50-P52 VanDerWaalsContact O-N 3.09Å
51K40.3Very low38.7Very low187 Ų187148.6 Ų148.681%0.81379%0.793SS**  trans-47.1119.1167.8-76.9-179.6177.2176.30107.1S49 S53S49-K51 PolarHBondContact O-N 2.86Å; K51-S53 PolarHBondContact O-N 2.87Å; K51-S53 VanDerWaalsContact O-N 3.09Å
52P43.7Very low39.3Very low124 Ų124154.1 Ų154.181%0.80580%0.801SS**  trans-58.9121.4-178.221.8-30.7000107.6K50 G54K50-P52 WeakPolarHBondContact O-CD 3.22Å; K50-P52 VanDerWaalsContact O-N 3.09Å; P52-G54 PolarHBondContact O-N 3.03Å
53S45.2Very low40.1Very low97 Ų97152.3 Ų152.368%0.67880%0.796SS**  trans-59.2112.2177.481.80000107K51 R55K51-S53 PolarHBondContact O-N 2.87Å; K51-S53 VanDerWaalsContact O-N 3.09Å; S53-R55 PolarHBondContact O-N 2.93Å
54G39.8Very low40.8Very low76 Ų76151.4 Ų151.478%0.78480%0.795SS**  trans-66.870.2173.200000110.1P52 S56P52-G54 PolarHBondContact O-N 3.03Å; G54-S56 PolarHBondContact O-N 3.29Å; G54-S56 VanDerWaalsContact O-N 3.12Å
55R37.9Very low41.6Very low209 Ų209154 Ų15479%0.78980%0.8SS**  trans-79.485.3159.6-81.5-173.3-176.7-151.60.6106.1S53 W57S53-R55 PolarHBondContact O-N 2.93Å; R55-W57 PolarHBondContact O-N 3.16Å
56S39.2Very low41.7Very low113 Ų113148.9 Ų148.979%0.7979%0.786SS**  trans-55104.5159.431.80000107.1G54 A58G54-S56 PolarHBondContact O-N 3.29Å; G54-S56 VanDerWaalsContact O-N 3.12Å; S56-A58 PolarHBondContact O-N 3.01Å
57W40.9Very low42.3Very low240 Ų240148.7 Ų148.791%0.90979%0.794SS**  trans-58.6108166.8-74.969.6000106R55 R59R55-W57 PolarHBondContact O-N 3.16Å; W57-R59 VanDerWaalsContact C-N 3.29Å; W57-R59 PolarHBondContact O-N 2.83Å
58A43.8Very low42.6Very low97 Ų97147.8 Ų147.880%0.80279%0.787SS**  trans-57.299.317200000106.9S56 S60S56-A58 PolarHBondContact O-N 3.01Å; A58-S60 VanDerWaalsContact C-N 3.32Å; A58-S60 PolarHBondContact O-N 3.03Å
59R40.6Very low43Very low237 Ų237148.8 Ų148.889%0.89478%0.783SS**  trans-57.3103.6170.7-85.1172.675.9-176.54.5105.5W57 K61W57-R59 VanDerWaalsContact C-N 3.29Å; W57-R59 PolarHBondContact O-N 2.83Å; R59-K61 VanDerWaalsContact C-N 3.3Å; R59-K61 PolarHBondContact O-N 2.87Å
60S40.8Very low43.2Very low107 Ų107155 Ų15575%0.74879%0.791SS**  trans-56.3100.9168.1-178.30000106.4A58 R62A58-S60 VanDerWaalsContact C-N 3.32Å; A58-S60 PolarHBondContact O-N 3.03Å; S60-R62 VanDerWaalsContact C-N 3.27Å; S60-R62 PolarHBondContact O-N 2.98Å
61K47.3Very low43.5Very low192 Ų192152 Ų15284%0.83578%0.78SS**  trans-6199.3169.3-96.3-178.9174.1177.40104.7R59 I63R59-K61 VanDerWaalsContact C-N 3.3Å; R59-K61 PolarHBondContact O-N 2.87Å; K61-I63 VanDerWaalsContact C-N 3.3Å; K61-I63 PolarHBondContact O-N 3.32Å
62R45.7Very low43.7Very low236 Ų236148.4 Ų148.489%0.89178%0.778SS**  trans-56.6103.7164.8-75.1-174.8172.1-147.9-1.1105.5S60 S64S60-R62 VanDerWaalsContact C-N 3.27Å; S60-R62 PolarHBondContact O-N 2.98Å; R62-S64 PolarHBondContact O-N 3.49Å
63I45.6Very low43.4Very low152 Ų152153.1 Ų153.178%0.77978%0.78SS**  trans-60.9108.3170.5-38.7171.5000103.4K61 L65K61-I63 VanDerWaalsContact C-N 3.3Å; K61-I63 PolarHBondContact O-N 3.32Å; I63-L65 VanDerWaalsContact C-N 3.28Å; I63-L65 PolarHBondContact O-N 2.66Å
64S49.4Very low43Very low104 Ų104150.8 Ų150.873%0.72777%0.771SS**  trans-63.4102.7168.659.70000104.7R62 G66R62-S64 PolarHBondContact O-N 3.49Å; S64-G66 PolarHBondContact O-N 3.13Å
65L48Very low43.1Very low152 Ų152153.2 Ų153.280%0.79677%0.773SS**  trans-60.693.8159.2-72.1164.9000103.8I63 C67I63-L65 VanDerWaalsContact C-N 3.28Å; I63-L65 PolarHBondContact O-N 2.66Å; L65-C67 PolarHBondContact O-N 3.11Å
66G39.3Very low43.2Very low48 Ų48152 Ų15250%0.49577%0.774SS.*  trans-49.5132.5171.500000106.5S64 F68S64-G66 PolarHBondContact O-N 3.13Å; G66-F68 PolarHBondContact O-N 3.08Å
67C46.6Very low43.1Very low129 Ų129157.5 Ų157.587%0.87278%0.777SS**  trans-48.1109.1177.1-58.90000107L65 E69L65-C67 PolarHBondContact O-N 3.11Å; C67-E69 PolarHBondContact O-N 3.11Å
68F42.5Very low42.7Very low173 Ų173153.6 Ų153.676%0.75977%0.769SS**  trans-66.195.1169.5-92.8-93.6000104.9G66 W70G66-F68 PolarHBondContact O-N 3.08Å; F68-W70 VanDerWaalsContact O-CD1 3.27Å; F68-W70 PolarHBondContact O-N 3.07Å
69E47.8Very low42.3Very low147 Ų147154.8 Ų154.869%0.68777%0.767SS**  trans-66.6103.4172.4-170.8169.5174.700106.4C67 H71C67-E69 PolarHBondContact O-N 3.11Å; E69-H71 PolarHBondContact O-CD2 3.06Å; E69-H71 VanDerWaalsContact O-CD2 3.31Å; E69-H71 PolarHBondContact O-N 3.38Å; E69-H71 IonicContact OE1-CE1 3.55Å; E69-H71 IonicContact OE2-NE2 3.96Å
70W43.1Very low42Very low232 Ų232149.8 Ų149.888%0.87976%0.758SS**  trans-70.690171.7-7189.6000107.2F68 S72F68-W70 VanDerWaalsContact O-CD1 3.27Å; F68-W70 PolarHBondContact O-N 3.07Å; W70-S72 PolarHBondContact O-N 2.75Å
71H45.6Very low41.8Very low141 Ų141152.7 Ų152.765%0.65376%0.763SS**  trans-66.293.7161.5-61.2-90000106.5E69 R73E69-H71 PolarHBondContact O-CD2 3.06Å; E69-H71 VanDerWaalsContact O-CD2 3.31Å; E69-H71 PolarHBondContact O-N 3.38Å; E69-H71 IonicContact OE1-CE1 3.55Å; E69-H71 IonicContact OE2-NE2 3.96Å; H71-R73 PolarHBondContact O-N 3.26Å
72S44.9Very low40.7Very low111 Ų111146.5 Ų146.578%0.77675%0.754SS**  trans-56.4110.3158.645.30000105.3W70 G74W70-S72 PolarHBondContact O-N 2.75Å; S72-G74 PolarHBondContact O-N 2.91Å
73R38Very low39.9Very low223 Ų223140.6 Ų140.684%0.84275%0.749SS**  trans-57.298.6171.2-76.2-179.1172.6162.3-3.5106H71H71-R73 PolarHBondContact O-N 3.26Å
74G35.9Very low39.1Very low48 Ų48138 Ų13850%0.49574%0.744SS.*  trans-53.3149.2168.300000108.4S72 F76S72-G74 PolarHBondContact O-N 2.91Å; G74-F76 PolarHBondContact O-N 2.86Å; G74-F76 VanDerWaalsContact O-N 3.09Å
75P42.7Very low38.1Very low127 Ų127140.2 Ų140.283%0.82575%0.748SS**  trans-51.8124.1-179.221.7-31.6000108.4R77P75-R77 PolarHBondContact O-N 2.75Å
76F38.9Very low37.2Very low183 Ų183143.2 Ų143.280%0.80375%0.748SS**  trans-45.4113.3176.9-91.8-100.5000108.1G74 Q78G74-F76 PolarHBondContact O-N 2.86Å; G74-F76 VanDerWaalsContact O-N 3.09Å; F76-Q78 PolarHBondContact O-N 3.18Å
77R37.3Very low36.7Very low228 Ų228149 Ų14986%0.8677%0.767SS**  trans-68.393.6159.9-71-167.4-179.7-108.32.8104.7P75 T79P75-R77 PolarHBondContact O-N 2.75Å; R77-T79 PolarHBondContact O-N 2.92Å
78Q33.9Very low36Very low158 Ų158149.6 Ų149.674%0.73876%0.762SS**  trans-7085.7165.8-170165.21700106.6F76 D80F76-Q78 PolarHBondContact O-N 3.18Å; Q78-D80 HydrophobicContact CG-CB 4.28Å; Q78-D80 PolarHBondContact O-N 2.86Å
79T33.9Very low35.3Very low122 Ų122145.8 Ų145.875%0.74876%0.757SS**  trans-73.373.1162.634.10000107.8R77R77-T79 PolarHBondContact O-N 2.92Å
80D35Very low34.5Very low132 Ų132146.4 Ų146.471%0.70676%0.763SS**  trans-151.362.8168.5-71.1-51.1000108.4Q78Q78-D80 HydrophobicContact CG-CB 4.28Å; Q78-D80 PolarHBondContact O-N 2.86Å
81I36.1Very low33.9Very low169 Ų169142 Ų14287%0.86776%0.757SS**  trans-109.398.6158.9-62.8175.5000105.9
82G25.6Very low33.1Very low61 Ų61140.6 Ų140.663%0.62976%0.76SS**  trans-49.3142.6171.600000111.4S84G82-S84 VanDerWaalsContact C-N 3.35Å; G82-S84 PolarHBondContact O-N 2.87Å
83S27.8Very low32.5Very low113 Ų113141.5 Ų141.579%0.7976%0.761SS**  trans-4488.5164.434.40000112.4
84S29.4Very low31.9Very low97 Ų97134.9 Ų134.968%0.67876%0.762SS**  trans-94.692.7158.6177.90000108G82 R86G82-S84 VanDerWaalsContact C-N 3.35Å; G82-S84 PolarHBondContact O-N 2.87Å; S84-R86 VanDerWaalsContact C-N 3.34Å; S84-R86 PolarHBondContact O-N 2.78Å
85N27.1Very low31.6Very low150 Ų150137.4 Ų137.480%0.80277%0.772SS**  trans-53.594166.5-67.2-37.2000109.8
86R30.8Very low31.1Very low215 Ų215140.8 Ų140.881%0.81178%0.777SS**  trans-128.283158.4-73.1-165.2-178.5-1501.3108S84 N88S84-R86 VanDerWaalsContact C-N 3.34Å; S84-R86 PolarHBondContact O-N 2.78Å; R86-N88 PolarHBondContact O-N 3.12Å; R86-N88 VanDerWaalsContact O-N 3.15Å
87L27.9Very low30.7Very low169 Ų169139.5 Ų139.589%0.88577%0.773SS**  trans-50.7111.1152.1-72161.2000106.9
88N31.6Very low30.1Very low142 Ų142139.4 Ų139.476%0.75977%0.772SS**  trans-148.5102.9156.5-94.7-18000108.7R86R86-N88 PolarHBondContact O-N 3.12Å; R86-N88 VanDerWaalsContact O-N 3.15Å
89S28.5Very low30.1Very low94 Ų94137.3 Ų137.366%0.65777%0.765SS**  trans35.6109.9144.561.60000118.2N91S89-N91 PolarHBondContact O-N 2.94Å
90I30.2Very low29.7Very low159 Ų159136.6 Ų136.682%0.81576%0.76SS**  trans-52.9112.4154.3-62.6153.3000108.3
91N29.8Very low29.6Very low141 Ų141138 Ų13875%0.75476%0.762SS**  trans-99.7110.5159.1-88.4-23.2000108S89 T93S89-N91 PolarHBondContact O-N 2.94Å; N91-T93 PolarHBondContact O-N 2.87Å
92P28.8Very low29.3Very low110 Ų110136.1 Ų136.171%0.71475%0.754SS**  trans-83.995.4173.231.9-26.7000108.1
93T32.9Very low29.7Very low130 Ų130142.8 Ų142.880%0.79877%0.769SS**  trans-155.6106.9161.1-1.80000108.4N91 S95N91-T93 PolarHBondContact O-N 2.87Å; T93-S95 PolarHBondContact O-N 2.82Å
94G26.5Very low30.1Very low84 Ų84144.5 Ų144.587%0.86676%0.764SS**  trans-61.6115.1175.100000110.2
95S28.9Very low30.3Very low101 Ų101146.5 Ų146.571%0.70677%0.768SS**  trans-154.4104.2157.5176.50000106.5T93 H97T93-S95 PolarHBondContact O-N 2.82Å; S95-H97 PolarHBondContact O-N 3.05Å
96H32.9Very low30.5Very low199 Ų199149.2 Ų149.292%0.92177%0.773SS**  trans-68.775170.5-67-80.6000108.5W98H96-W98 PolarHBondContact O-N 3.25Å
97H29.8Very low30.5Very low156 Ų156144.6 Ų144.672%0.72277%0.768SS**  trans-82.796.7167.6-15873.6000107.7S95 I99S95-H97 PolarHBondContact O-N 3.05Å; H97-I99 PolarHBondContact O-N 3.04Å
98W25.1Very low30.7Very low225 Ų225146 Ų14685%0.85276%0.763SS**  trans-64.698.5172.5-168.9-86.5000108.1H96 V100H96-W98 PolarHBondContact O-N 3.25Å; W98-V100 PolarHBondContact O-N 2.75Å
99I33.1Very low30.9Very low115 Ų115145.8 Ų145.859%0.5976%0.761SS**  trans-69.4102.7171.6-62.2173.4000106.3H97 H101H97-I99 PolarHBondContact O-N 3.04Å; I99-H101 VanDerWaalsContact C-N 3.31Å; I99-H101 PolarHBondContact O-N 3.29Å
100V26.5Very low30.9Very low106 Ų106145.9 Ų145.964%0.64276%0.76SS**  trans-63.197166.1177.80000106.2W98 N102W98-V100 PolarHBondContact O-N 2.75Å; V100-N102 PolarHBondContact O-N 2.83Å; V100-N102 VanDerWaalsContact O-N 3.07Å
101H32Very low31Very low161 Ų161146.3 Ų146.375%0.74576%0.759SS**  trans-67.4106.3166-80.1-81.8000107.1I99I99-H101 VanDerWaalsContact C-N 3.31Å; I99-H101 PolarHBondContact O-N 3.29Å
102N29.3Very low31.1Very low130 Ų130146.5 Ų146.570%0.69576%0.755SS**  trans-51.5141.3168.3-91-18000109.9V100 E104V100-N102 PolarHBondContact O-N 2.83Å; V100-N102 VanDerWaalsContact O-N 3.07Å; N102-E104 PolarHBondContact O-N 3.24Å
103E34.2Very low31.6Very low201 Ų201146.4 Ų146.494%0.93976%0.755SS**  trans-6671.3179.1-61.3-179.6160.200111
104E37.7Very low31.9Very low149 Ų149145.2 Ų145.270%0.69675%0.751SS**  trans-101.4106.8170.3-71.8-173-171.800109.9N102N102-E104 PolarHBondContact O-N 3.24Å
105N33.1Very low32.5Very low140 Ų140149.6 Ų149.675%0.74975%0.747SS**  trans57.363146-57.7-34.5000116.9T107N105-T107 PolarHBondContact O-N 3.48Å
106F31.6Very low33.2Very low207 Ų207148.3 Ų148.391%0.90874%0.742SS**  trans-72.986.1149.5-76.5-78.3000108.8Y108F106-Y108 VanDerWaalsContact C-N 3.29Å; F106-Y108 PolarHBondContact O-N 2.73Å
107T30.3Very low33.6Very low117 Ų117148.7 Ų148.772%0.71874%0.736SS**  trans-6098.8160.7-460000106.7N105 I109N105-T107 PolarHBondContact O-N 3.48Å; T107-I109 VanDerWaalsContact C-N 3.27Å; T107-I109 PolarHBondContact O-N 2.71Å
108Y31.5Very low34.3Very low198 Ų198149 Ų14978%0.77674%0.741SS**  trans-68.792.6175.3-158.3-94.1000107.2F106 C110F106-Y108 VanDerWaalsContact C-N 3.29Å; F106-Y108 PolarHBondContact O-N 2.73Å; Y108-C110 HydrophobicContact CD1-CB 4.42Å; Y108-C110 WeakPolarHBondContact CD1-SG 3.36Å; Y108-C110 VanDerWaalsContact CE1-SG 3.52Å; Y108-C110 PolarHBondContact O-N 2.99Å
109I35.6Very low35.4Very low139 Ų139146.4 Ų146.471%0.71374%0.736SS**  trans-67.789.9166.4-56175000104.8T107 Q111T107-I109 VanDerWaalsContact C-N 3.27Å; T107-I109 PolarHBondContact O-N 2.71Å; I109-Q111 HydrophobicContact CG2-CG 4.41Å; I109-Q111 PolarHBondContact O-N 2.93Å
110C29.1Very low36.4Very low96 Ų96143.9 Ų143.965%0.64973%0.729SS**  trans-60.485.9160.5-920000106.6Y108 E112Y108-C110 HydrophobicContact CD1-CB 4.42Å; Y108-C110 WeakPolarHBondContact CD1-SG 3.36Å; Y108-C110 VanDerWaalsContact CE1-SG 3.52Å; Y108-C110 PolarHBondContact O-N 2.99Å; C110-E112 PolarHBondContact O-N 2.84Å
111Q32.3Very low37.8Very low167 Ų167141.5 Ų141.578%0.7873%0.726SS**  trans-59.2101.2155.5-91.9-179.5-3.600105.3I109 P113I109-Q111 HydrophobicContact CG2-CG 4.41Å; I109-Q111 PolarHBondContact O-N 2.93Å; Q111-P113 WeakPolarHBondContact O-CD 3.43Å
112E32.6Very low39.1Very low146 Ų146137 Ų13768%0.68272%0.717SS**  trans-49.3109.9171.3-166-179.717600106.2C110 S114 K115C110-E112 PolarHBondContact O-N 2.84Å; E112-S114 PolarHBondContact O-N 2.84Å; E112-K115 IonicContact OE1-NZ 3.44Å; E112-K115 PolarHBondContact OE1-NZ 2.93Å
113P38.8Very low40.8Very low108 Ų108135 Ų13570%0.70171%0.706SS**  trans-61.4111.8-179.7-18.330.5000105Q111 K115Q111-P113 WeakPolarHBondContact O-CD 3.43Å; P113-K115 PolarHBondContact O-N 3.39Å
114S40.2Very low42.2Very low104 Ų104128.1 Ų128.173%0.72768%0.68SS**  trans-38.8122174.4540000106.9E112 A116E112-S114 PolarHBondContact O-N 2.84Å; S114-A116 PolarHBondContact O-N 2.95Å
115K38.6Very low43.8Very low177 Ų177124.8 Ų124.877%0.7767%0.667SS**  trans-6460.6178.9-67.5167.4-179.3150.20109.5E112 P113 R117E112-K115 IonicContact OE1-NZ 3.44Å; E112-K115 PolarHBondContact OE1-NZ 2.93Å; P113-K115 PolarHBondContact O-N 3.39Å; K115-R117 PolarHBondContact O-N 2.75Å
116A43.3Very low45.5Very low74 Ų74121.9 Ų121.961%0.61265%0.651SS**  trans-6884.7157.900000103.8S114 L118S114-A116 PolarHBondContact O-N 2.95Å; A116-L118 PolarHBondContact O-N 3.3Å
117R41.1Very low47.2Very low207 Ų207118.2 Ų118.278%0.78164%0.636SS**  trans-55.587.5173.1-174.6174.1177.6163.30.7106.4K115 K119K115-R117 PolarHBondContact O-N 2.75Å; R117-K119 VanDerWaalsContact C-N 3.25Å; R117-K119 PolarHBondContact O-N 3.35Å
118L43.7Very low49.1Very low161 Ų161119.5 Ų119.584%0.84363%0.628SS**  trans-57.7100.5168.7-72.5170.9000103.9A116 S120A116-L118 PolarHBondContact O-N 3.3Å; L118-S120 PolarHBondContact O-N 3.14Å
119K48.4Very low50.8Low171 Ų171114.3 Ų114.374%0.74361%0.613SS**  trans-60.690.7172.4-77.7176.6177.2174.80105.5R117 G121R117-K119 VanDerWaalsContact C-N 3.25Å; R117-K119 PolarHBondContact O-N 3.35Å; K119-G121 PolarHBondContact O-N 2.83Å
120S55.5Low52.3Low62 Ų62115.5 Ų115.543%0.43461%0.609SS.*  trans-52.6129.9172.860.30000106.3L118 A122 D123L118-S120 PolarHBondContact O-N 3.14Å; S120-A122 PolarHBondContact O-N 3.01Å; S120-D123 PolarHBondContact O-N 2.99Å
121G55.8Low53.7Low57 Ų57119.3 Ų119.359%0.58861%0.614SS**Hα-helixtrans-54.7-19.7-17800000113.2K119 S124 L125K119-G121 PolarHBondContact O-N 2.83Å; G121-S124 WeakPolarHBondContact O-CB 3.4Å; G121-S124 PolarHBondContact O-N 3.44Å; G121-L125 WeakPolarHBondContact O-CB 3.41Å; G121-L125 PolarHBondContact O-N 2.82Å
122A59Low54.7Low67 Ų67120.1 Ų120.155%0.55461%0.61SS**Hα-helixtrans-61.9-45.2172.600000112.9S120 S124 L125 L126S120-A122 PolarHBondContact O-N 3.01Å; A122-S124 VanDerWaalsContact C-N 3.34Å; A122-S124 PolarHBondContact O-N 3.4Å; A122-L125 PolarHBondContact O-N 2.91Å; A122-L126 WeakPolarHBondContact O-CB 3.22Å; A122-L126 PolarHBondContact O-N 3.49Å
123D65.2Low55.2Low87 Ų87117.4 Ų117.447%0.46561%0.608SS.*Hα-helixtrans-67.1-38.3177.3-84.2-9.4000111.4S120 L125 L126 Q127S120-D123 PolarHBondContact O-N 2.99Å; D123-L125 VanDerWaalsContact C-N 3.34Å; D123-L126 PolarHBondContact O-N 3.12Å; D123-Q127 WeakPolarHBondContact O-CB 3.41Å; D123-Q127 PolarHBondContact O-N 3.44Å
124S62.4Low55.6Low56 Ų56121 Ų12139%0.39261%0.612SS.*Hα-helixtrans-62.3-42.4174.2-45.80000111.4G121 A122 R128G121-S124 WeakPolarHBondContact O-CB 3.4Å; G121-S124 PolarHBondContact O-N 3.44Å; A122-S124 VanDerWaalsContact C-N 3.34Å; A122-S124 PolarHBondContact O-N 3.4Å; S124-R128 VanDerWaalsContact O-CB 3.31Å; S124-R128 WeakPolarHBondContact O-CB 3.45Å; S124-R128 PolarHBondContact O-N 3.43Å
125L72.8Confident55.8Low80 Ų80121.6 Ų121.642%0.41962%0.617SS.*Hα-helixtrans-66.4-44.2176.2-176.968.6000110.9G121 A122 D123 R128 L129G121-L125 WeakPolarHBondContact O-CB 3.41Å; G121-L125 PolarHBondContact O-N 2.82Å; A122-L125 PolarHBondContact O-N 2.91Å; D123-L125 VanDerWaalsContact C-N 3.34Å; L125-R128 VanDerWaalsContact CD1-NH2 3.33Å; L125-R128 PolarHBondContact O-N 2.74Å; L125-L129 HydrophobicContact CG-CD1 4.15Å; L125-L129 WeakPolarHBondContact O-CB 3.2Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 2.99Å
126L68.3Low56Low78 Ų78124 Ų12441%0.40862%0.621SS.*Hα-helixtrans-66.6-39.9179.8-158.871.2000111.3A122 D123 L129 R130A122-L126 WeakPolarHBondContact O-CB 3.22Å; A122-L126 PolarHBondContact O-N 3.49Å; D123-L126 PolarHBondContact O-N 3.12Å; L126-L129 PolarHBondContact O-N 3.22Å; L126-R130 WeakPolarHBondContact O-CB 3.25Å; L126-R130 VanDerWaalsContact O-CG 3.29Å; L126-R130 WeakPolarHBondContact O-CG 3.3Å; L126-R130 PolarHBondContact O-N 3Å
127Q67.2Low56Low130 Ų130126 Ų12661%0.60762%0.621SS**Hα-helixtrans-61.4-42.7169.7-95.5-172.1-3.900111.9D123 L129 R130 K131D123-Q127 WeakPolarHBondContact O-CB 3.41Å; D123-Q127 PolarHBondContact O-N 3.44Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 3Å; Q127-R130 PolarHBondContact O-N 2.98Å; Q127-K131 WeakPolarHBondContact O-CB 3.48Å; Q127-K131 WeakPolarHBondContact O-CG 3.31Å; Q127-K131 PolarHBondContact O-N 2.78Å
128R69.8Low56.2Low144 Ų144125.8 Ų125.854%0.54363%0.626SS.*Hα-helixtrans-65.8-37.2178.7-169.9173.666.5163.3-0112.1S124 L125 R132S124-R128 VanDerWaalsContact O-CB 3.31Å; S124-R128 WeakPolarHBondContact O-CB 3.45Å; S124-R128 PolarHBondContact O-N 3.43Å; L125-R128 VanDerWaalsContact CD1-NH2 3.33Å; L125-R128 PolarHBondContact O-N 2.74Å; R128-R132 WeakPolarHBondContact O-CG 3.48Å; R128-R132 PolarHBondContact O-N 2.82Å
129L67.3Low56.4Low90 Ų90125 Ų12547%0.47162%0.617SS.*Hα-helixtrans-70.6-44.6174.9-71.3172000111.3L125 L126 Q127 K131 R132 S133L125-L129 HydrophobicContact CG-CD1 4.15Å; L125-L129 WeakPolarHBondContact O-CB 3.2Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 2.99Å; L126-L129 PolarHBondContact O-N 3.22Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 3Å; L129-K131 VanDerWaalsContact C-N 3.28Å; L129-K131 PolarHBondContact O-N 3.09Å; L129-R132 PolarHBondContact O-N 3.09Å; L129-S133 PolarHBondContact O-N 2.92Å; L129-S133 PolarHBondContact O-OG 3.06Å
130R67.2Low56Low164 Ų164125.1 Ų125.162%0.61962%0.618SS**Hα-helixtrans-59-38.2174-75.1178.2-172.9167.83.1112.1L126 Q127 R132 S133L126-R130 WeakPolarHBondContact O-CB 3.25Å; L126-R130 VanDerWaalsContact O-CG 3.29Å; L126-R130 WeakPolarHBondContact O-CG 3.3Å; L126-R130 PolarHBondContact O-N 3Å; Q127-R130 PolarHBondContact O-N 2.98Å; R130-R132 VanDerWaalsContact C-N 3.26Å; R130-R132 PolarHBondContact O-N 2.84Å; R130-S133 PolarHBondContact O-N 3.41Å
131K59.2Low55.5Low175 Ų175133.4 Ų133.476%0.76164%0.64SS**Hα-helixtrans-69.3-19.2174.5-76.4-169.3177.4-172.20113.9Q127 L129Q127-K131 WeakPolarHBondContact O-CB 3.48Å; Q127-K131 WeakPolarHBondContact O-CG 3.31Å; Q127-K131 PolarHBondContact O-N 2.78Å; L129-K131 VanDerWaalsContact C-N 3.28Å; L129-K131 PolarHBondContact O-N 3.09Å
132R51.8Low55.1Low185 Ų185136.4 Ų136.470%0.69864%0.643SS**Hα-helixtrans-90.5-17.2176.9-76.4-177.2169.6174.7-3.6113.8R128 L129 R130 F134R128-R132 WeakPolarHBondContact O-CG 3.48Å; R128-R132 PolarHBondContact O-N 2.82Å; L129-R132 PolarHBondContact O-N 3.09Å; R130-R132 VanDerWaalsContact C-N 3.26Å; R130-R132 PolarHBondContact O-N 2.84Å; R132-F134 VanDerWaalsContact C-N 3.32Å; R132-F134 PolarHBondContact O-N 2.81Å
133S43.9Very low54.3Low89 Ų89140.8 Ų140.862%0.62266%0.657SS**SBendtrans-83.62.7-177.6-58.90000115.3L129 R130L129-S133 PolarHBondContact O-N 2.92Å; L129-S133 PolarHBondContact O-OG 3.06Å; R130-S133 PolarHBondContact O-N 3.41Å
134F46.8Very low53Low183 Ų183145.5 Ų145.580%0.80367%0.673SS**  trans-130.554179.3-62.4-75000113.2R132R132-F134 VanDerWaalsContact C-N 3.32Å; R132-F134 PolarHBondContact O-N 2.81Å
135S44.8Very low52.1Low117 Ų117149 Ų14982%0.81869%0.692SS**  trans-107.860.8150.1-1690000108D137S135-D137 PolarHBondContact O-N 2.86Å; S135-D137 VanDerWaalsContact O-N 3.14Å
136R42.7Very low50.6Low228 Ų228153.8 Ų153.886%0.8671%0.712SS**  trans-70.8108.5164.7-164.7176.2-177-177.21.4105K138R136-K138 PolarHBondContact O-N 3.22Å
137D44.1Very low49Very low115 Ų115160.1 Ų160.162%0.61573%0.732SS**  trans-33.798.2173.1-138.1-28.8000109.3S135 H139S135-D137 PolarHBondContact O-N 2.86Å; S135-D137 VanDerWaalsContact O-N 3.14Å; D137-H139 PolarHBondContact O-N 2.9Å; D137-H139 IonicContact OD1-CE1 3.94Å; D137-H139 IonicContact OD2-CE1 3.79Å; D137-H139 IonicContact OD2-NE2 3.59Å
138K45Very low47.6Very low202 Ų202159.8 Ų159.888%0.87874%0.743SS**  trans-74.273.6163.1-76.2-166.4-178.9-176.50104.4R136 K140R136-K138 PolarHBondContact O-N 3.22Å; K138-K140 PolarHBondContact O-N 3.33Å
139H46.1Very low45.7Very low144 Ų144164.4 Ų164.467%0.66776%0.761SS**  trans-49.6113.8156.6-80.6-56.7000105.3D137 R141D137-H139 PolarHBondContact O-N 2.9Å; D137-H139 IonicContact OD1-CE1 3.94Å; D137-H139 IonicContact OD2-CE1 3.79Å; D137-H139 IonicContact OD2-NE2 3.59Å; H139-R141 VanDerWaalsContact C-N 3.3Å; H139-R141 PolarHBondContact O-N 3.43Å
140K41.7Very low44Very low175 Ų175165.6 Ų165.676%0.76178%0.777SS**  trans-39.8105.3159.9-85.9177.2169.6-178.90105.7K138 D142K138-K140 PolarHBondContact O-N 3.33Å; K140-D142 PolarHBondContact O-N 3.38Å
141R44.8Very low42.4Very low235 Ų235163.2 Ų163.289%0.88779%0.785SS**  trans-67.485.8150.2-77.6-175.6-169.31581.5102.9H139 N143H139-R141 VanDerWaalsContact C-N 3.3Å; H139-R141 PolarHBondContact O-N 3.43Å; R141-N143 PolarHBondContact O-N 3.22Å; R141-N143 VanDerWaalsContact O-N 3.11Å
142D47.1Very low41.2Very low121 Ų121159.9 Ų159.965%0.64778%0.784SS**  trans-50.2120.8157.4-66-35.3000104.4K140 K144K140-D142 PolarHBondContact O-N 3.38Å; D142-K144 PolarHBondContact O-N 2.96Å
143N41.9Very low40.3Very low159 Ų159155 Ų15585%0.8578%0.783SS**  trans-6171.5171.1-85.7-23.3000107.8R141 T145R141-N143 PolarHBondContact O-N 3.22Å; R141-N143 VanDerWaalsContact O-N 3.11Å; N143-T145 PolarHBondContact O-N 3.4Å; N143-T145 VanDerWaalsContact O-N 3.13Å
144K38.8Very low40Very low185 Ų185156.6 Ų156.680%0.80479%0.791SS**  trans-77.294.9157-113.9173.5178.4173.20103.6D142 Q146D142-K144 PolarHBondContact O-N 2.96Å; K144-Q146 PolarHBondContact O-N 3.29Å
145T42.8Very low39.3Very low130 Ų130159 Ų15980%0.79880%0.795SS**  trans-39.283.8147.411.60000107.5N143 Y147N143-T145 PolarHBondContact O-N 3.4Å; N143-T145 VanDerWaalsContact O-N 3.13Å; T145-Y147 PolarHBondContact O-N 3.37Å
146Q41Very low38.6Very low180 Ų180158.5 Ų158.584%0.84179%0.791SS**  trans-77.194.6174.7-162.1169.310.900103.3K144 C148K144-Q146 PolarHBondContact O-N 3.29Å; Q146-C148 PolarHBondContact O-N 3.5Å
147Y35.1Very low38.1Very low211 Ų211153.6 Ų153.683%0.82779%0.787SS**  trans-32.9113.9165-92.7-100000108.3T145 R149T145-Y147 PolarHBondContact O-N 3.37Å; Y147-R149 PolarHBondContact O-N 3.06Å
148C36.8Very low37.6Very low124 Ų124158.7 Ų158.784%0.83880%0.799SS**  trans-60.788.8166.1-62.20000106.3Q146 S150Q146-C148 PolarHBondContact O-N 3.5Å; C148-S150 PolarHBondContact O-N 2.91Å; C148-S150 VanDerWaalsContact O-N 3.08Å
149R29.8Very low36.9Very low240 Ų240154.2 Ų154.291%0.90679%0.793SS**  trans-67.4107.5161.1-92.1-174.8167.2155.9-2.7105.2Y147 S151Y147-R149 PolarHBondContact O-N 3.06Å; R149-S151 PolarHBondContact O-N 3.15Å
150S33.4Very low35.9Very low116 Ų116157.5 Ų157.581%0.81180%0.801SS**  trans-40.7100.7170.3-47.10000109C148 S152C148-S150 PolarHBondContact O-N 2.91Å; C148-S150 VanDerWaalsContact O-N 3.08Å; S150-S152 VanDerWaalsContact C-N 3.31Å; S150-S152 PolarHBondContact O-N 2.64Å
151S32Very low35.4Very low113 Ų113157.5 Ų157.579%0.7980%0.804SS**  trans-70.9101165.1-173.30000104.9R149 A153R149-S151 PolarHBondContact O-N 3.15Å; S151-A153 PolarHBondContact O-N 2.93Å
152S35.7Very low34.7Very low106 Ų106151.4 Ų151.474%0.74180%0.797SS**  trans-48.6104.7166.143.70000108S150S150-S152 VanDerWaalsContact C-N 3.31Å; S150-S152 PolarHBondContact O-N 2.64Å
153A32.9Very low33.8Very low81 Ų81150.8 Ų150.867%0.66981%0.808SS**  trans-56.3137.1174.200000108.7S151 R155S151-A153 PolarHBondContact O-N 2.93Å; A153-R155 PolarHBondContact O-N 3.12Å
154P36.3Very low33.3Very low124 Ų124147 Ų14781%0.80580%0.8SS**  trans-60.2128.7-175.723.7-31.9000109.7S156P154-S156 PolarHBondContact O-N 2.94Å
155R32.1Very low32.8Very low234 Ų234147 Ų14788%0.88380%0.802SS**  trans-54.7109173-68.3178174.3-129.1-0.3108.4A153 V157A153-R155 PolarHBondContact O-N 3.12Å; R155-V157 VanDerWaalsContact C-N 3.33Å; R155-V157 HydrophobicContact CB-CG2 4.29Å; R155-V157 PolarHBondContact O-N 2.73Å
156S30.3Very low32.2Very low106 Ų106149.2 Ų149.274%0.74180%0.801SS**  trans-69.696.5164.5176.90000107.1P154 Y158P154-S156 PolarHBondContact O-N 2.94Å; S156-Y158 PolarHBondContact O-N 2.82Å; S156-Y158 VanDerWaalsContact O-N 3.16Å
157V32.8Very low31.6Very low125 Ų125149.1 Ų149.176%0.75880%0.801SS**  trans-84.170.5169.9-171.10000106.7R155R155-V157 VanDerWaalsContact C-N 3.33Å; R155-V157 HydrophobicContact CB-CG2 4.29Å; R155-V157 PolarHBondContact O-N 2.73Å
158Y33.5Very low31.4Very low221 Ų221144.8 Ų144.887%0.86779%0.791SS**  trans-110.8111.7159.4-89.3-80.9000108.1S156S156-Y158 PolarHBondContact O-N 2.82Å; S156-Y158 VanDerWaalsContact O-N 3.16Å
159S29.1Very low31.1Very low108 Ų108145.3 Ų145.376%0.75579%0.785SS**  trans-70.2145.2-171.8-161.30000111.4
160Y26Very low31.3Very low214 Ų214140.7 Ų140.784%0.83977%0.773SS**  trans-30.3140167.3-76.2-101.4000115.4
161Q30.7Very low31.2Very low175 Ų175141.9 Ų141.982%0.81877%0.769SS**  -168142.9118.5-151.478.7700110.4
162S30.6Very low31.3Very low106 Ų106141 Ų14174%0.74176%0.756SS**  trans86.586.3159.2-54.10000117.5A164S162-A164 PolarHBondContact O-N 3.41Å
163A28.3Very low31.1Very low108 Ų108144.6 Ų144.689%0.89376%0.758SS**  trans-54.5111.4144.600000109.1
164A32.2Very low31.1Very low81 Ų81150.3 Ų150.367%0.66976%0.764SS**  trans-127.998.3158.800000105.7S162 F166S162-A164 PolarHBondContact O-N 3.41Å; A164-F166 PolarHBondContact O-N 2.85Å; A164-F166 VanDerWaalsContact O-N 3.15Å
165E26.6Very low30.8Very low183 Ų183148.5 Ų148.586%0.85575%0.754SS**  trans-53.5111.9165.2-68.2169.4156.100108.3
166F30.8Very low30.8Very low178 Ų178145.2 Ų145.278%0.78175%0.753SS**  trans-133.487.9155.3-94.2-81.7000107A164 I168A164-F166 PolarHBondContact O-N 2.85Å; A164-F166 VanDerWaalsContact O-N 3.15Å; F166-I168 VanDerWaalsContact C-N 3.3Å; F166-I168 HydrophobicContact CB-CG1 4.45Å; F166-I168 HydrophobicContact CD1-CD1 4.49Å; F166-I168 HydrophobicContact CD1-CG1 4.49Å; F166-I168 PolarHBondContact O-N 3.5Å
167E28.1Very low31Very low177 Ų177145.9 Ų145.983%0.82775%0.753SS**  trans-5796.1156.3-76.7-175.4144.200108
168I32Very low31.1Very low121 Ų121148.5 Ų148.562%0.62176%0.757SS**  trans-109.789.6162.4-59179.2000106.5F166 H170F166-I168 VanDerWaalsContact C-N 3.3Å; F166-I168 HydrophobicContact CB-CG1 4.45Å; F166-I168 HydrophobicContact CD1-CD1 4.49Å; F166-I168 HydrophobicContact CD1-CG1 4.49Å; F166-I168 PolarHBondContact O-N 3.5Å; I168-H170 VanDerWaalsContact CG2-CD2 3.43Å; I168-H170 WeakPolarHBondContact CG2-CD2 3.4Å; I168-H170 PolarHBondContact O-N 3.41Å
169N29.3Very low31Very low134 Ų134148.7 Ų148.772%0.71776%0.756SS**  trans-59.881.1163-78.5-47.2000109.5
170H34.6Very low31Very low143 Ų143151.2 Ų151.266%0.66276%0.761SS**  trans-11693.2158.2-79.5-50.7000109.4I168 D172I168-H170 VanDerWaalsContact CG2-CD2 3.43Å; I168-H170 WeakPolarHBondContact CG2-CD2 3.4Å; I168-H170 PolarHBondContact O-N 3.41Å; H170-D172 PolarHBondContact O-N 2.84Å
171I31.8Very low31.5Very low141 Ų141150.1 Ų150.172%0.72376%0.761SS**  trans-63.471156.5-58.7164.9000106.4K173I171-K173 HydrophobicContact CG2-CG 4.03Å; I171-K173 PolarHBondContact O-N 3.32Å
172D34.6Very low31.5Very low95 Ų95152.1 Ų152.151%0.50876%0.762SS.*  trans-81.587.3163.3-73.3-24.9000106.2H170 Y174H170-D172 PolarHBondContact O-N 2.84Å; D172-Y174 HydrophobicContact CB-CD2 3.79Å; D172-Y174 HydrophobicContact CB-CE2 3.43Å; D172-Y174 VanDerWaalsContact CB-CE2 3.43Å; D172-Y174 PolarHBondContact O-N 3.17Å
173K31.3Very low31.6Very low182 Ų182149.8 Ų149.879%0.79176%0.755SS**  trans-57.380.6157.6-76.5176.1-178.4176.70107.3I171 S175I171-K173 HydrophobicContact CG2-CG 4.03Å; I171-K173 PolarHBondContact O-N 3.32Å; K173-S175 PolarHBondContact O-N 3.33Å
174Y33.1Very low31.8Very low200 Ų200151.6 Ų151.678%0.78475%0.75SS**  trans-70.381.6158.1-69.7-72.5000106.8D172 L176D172-Y174 HydrophobicContact CB-CD2 3.79Å; D172-Y174 HydrophobicContact CB-CE2 3.43Å; D172-Y174 VanDerWaalsContact CB-CE2 3.43Å; D172-Y174 PolarHBondContact O-N 3.17Å; Y174-L176 PolarHBondContact O-N 2.92Å
175S29.7Very low31.8Very low87 Ų87154.5 Ų154.561%0.60875%0.753SS**  trans-56.5109157.953.60000106.3K173 T177K173-S175 PolarHBondContact O-N 3.33Å; S175-T177 PolarHBondContact O-N 2.93Å; S175-T177 PolarHBondContact O-OG1 3.39Å
176L31.7Very low32Very low165 Ų165154.7 Ų154.786%0.86475%0.752SS**  trans-69.766.2172.1-167.872.4000109Y174 Q178Y174-L176 PolarHBondContact O-N 2.92Å; L176-Q178 PolarHBondContact O-N 3.23Å
177T34.5Very low32Very low119 Ų119151.4 Ų151.473%0.7375%0.746SS**  trans-90.555.8165.127.40000108.4S175 R179S175-T177 PolarHBondContact O-N 2.93Å; S175-T177 PolarHBondContact O-OG1 3.39Å; T177-R179 PolarHBondContact O-N 2.79Å; T177-R179 VanDerWaalsContact O-N 3.12Å
178Q34.5Very low32.3Very low181 Ų181147.4 Ų147.485%0.84674%0.738SS**  trans-86.781.9162.8-138.2171.935.600108.5L176 N180L176-Q178 PolarHBondContact O-N 3.23Å; Q178-N180 PolarHBondContact O-N 2.81Å
179R31.1Very low32.3Very low225 Ų225148.3 Ų148.385%0.84974%0.744SS**  trans-35.5127166.2-143.8178.7-151.9145.71111.1T177 K181T177-R179 PolarHBondContact O-N 2.79Å; T177-R179 VanDerWaalsContact O-N 3.12Å; R179-K181 PolarHBondContact O-N 2.84Å
180N30.2Very low32.6Very low161 Ų161149.4 Ų149.486%0.86175%0.749SS**  trans-21.998.7161.6-70.3-38.7000113.8Q178Q178-N180 PolarHBondContact O-N 2.81Å
181K35.6Very low32.5Very low191 Ų191148.6 Ų148.683%0.8375%0.748SS**  trans-115.622.6165-94.2-165.4178.5-174.90113R179R179-K181 PolarHBondContact O-N 2.84Å
182Y31.8Very low32.5Very low216 Ų216146.6 Ų146.685%0.84774%0.744SS**  trans-120.948.3171.7-59.7-72.9000111.2
183G31.5Very low32.3Very low58 Ų58150.5 Ų150.560%0.59876%0.76SS**SBendtrans-96.5128.2149.200000106.6
184N32.5Very low32.4Very low145 Ų145148.2 Ų148.278%0.77575%0.754SS**  trans92.649.1-179.5-47.8-18000116.3
185L32.7Very low32.2Very low142 Ų142143.3 Ų143.374%0.74375%0.748SS**  trans-111.470.5141.2-75.8167.8000107.7V187L185-V187 PolarHBondContact O-N 2.82Å
186F30.3Very low32.3Very low187 Ų187146.4 Ų146.482%0.8276%0.757SS**  trans-61.592.7149.5-89.9-89.5000105.8S188F186-S188 PolarHBondContact O-N 3.03Å
187V31.8Very low32.4Very low110 Ų110143.5 Ų143.567%0.66775%0.751SS**  trans-71.284.1158.8-175.30000104.6L185 N189L185-V187 PolarHBondContact O-N 2.82Å; V187-N189 PolarHBondContact O-N 2.82Å
188S33.6Very low32Very low92 Ų92148.7 Ų148.764%0.64376%0.757SS**  trans-46.3123.4159.938.40000107.3F186 L190F186-S188 PolarHBondContact O-N 3.03Å; S188-L190 PolarHBondContact O-N 3.06Å
189N31.9Very low31.9Very low141 Ų141145.2 Ų145.275%0.75475%0.753SS**  trans-24.595170.8-81.5-35.2000112.2V187 I191V187-N189 PolarHBondContact O-N 2.82Å; N189-I191 HydrophobicContact CB-CD1 4.48Å; N189-I191 HydrophobicContact CB-CG1 4.27Å; N189-I191 PolarHBondContact O-N 2.78Å
190L36.1Very low31.9Very low157 Ų157140.2 Ų140.282%0.82275%0.747SS**  trans-77.362.2158-70.5167.8000106.6S188 P192S188-L190 PolarHBondContact O-N 3.06Å; L190-P192 VanDerWaalsContact O-CD 3.25Å; L190-P192 WeakPolarHBondContact O-CD 3.29Å
191I33Very low32.1Very low125 Ų125137.7 Ų137.764%0.64174%0.739SS**  trans-75.9112.8155.8-64.3174.4000103.4N189 Q193N189-I191 HydrophobicContact CB-CD1 4.48Å; N189-I191 HydrophobicContact CB-CG1 4.27Å; N189-I191 PolarHBondContact O-N 2.78Å; I191-Q193 PolarHBondContact O-N 2.84Å
192P30.9Very low32.1Very low100 Ų100137.6 Ų137.665%0.64974%0.742SS**  trans-59.1111.6176.622.8-30.9000108.3L190 I194L190-P192 VanDerWaalsContact O-CD 3.25Å; L190-P192 WeakPolarHBondContact O-CD 3.29Å; P192-I194 HydrophobicContact CB-CG1 4.32Å; P192-I194 PolarHBondContact O-N 2.96Å
193Q31Very low32.2Very low177 Ų177134.6 Ų134.683%0.82774%0.74SS**  trans-64.393.4157-89.4-173.8-25.100106.3I191 C195I191-Q193 PolarHBondContact O-N 2.84Å; Q193-C195 PolarHBondContact O-N 3.5Å
194I32.9Very low32.4Very low133 Ų133139.4 Ų139.468%0.68275%0.747SS**  trans-74.785.3164.2-53.3173.7000105.3P192 L196P192-I194 HydrophobicContact CB-CG1 4.32Å; P192-I194 PolarHBondContact O-N 2.96Å; I194-L196 VanDerWaalsContact C-N 3.33Å; I194-L196 HydrophobicContact CG2-CD2 4.26Å; I194-L196 HydrophobicContact CG2-CG 4.22Å; I194-L196 PolarHBondContact O-N 2.95Å
195C28.7Very low32.6Very low97 Ų97139.2 Ų139.266%0.65575%0.746SS**  trans-64.1100.7160.9-72.10000106.6Q193 S197Q193-C195 PolarHBondContact O-N 3.5Å; C195-S197 PolarHBondContact O-N 2.83Å
196L32.4Very low32.6Very low152 Ų152140.4 Ų140.480%0.79675%0.747SS**  trans-7170.4165.2-71.7166.4000108.1I194 R198I194-L196 VanDerWaalsContact C-N 3.33Å; I194-L196 HydrophobicContact CG2-CD2 4.26Å; I194-L196 HydrophobicContact CG2-CG 4.22Å; I194-L196 PolarHBondContact O-N 2.95Å; L196-R198 PolarHBondContact O-N 3.35Å
197S33.2Very low32.8Very low104 Ų104136 Ų13673%0.72774%0.739SS**  trans-66.896.4158.447.90000106C195 S199C195-S197 PolarHBondContact O-N 2.83Å; S197-S199 PolarHBondContact O-N 3.27Å
198R27Very low32.4Very low228 Ų228136.8 Ų136.886%0.8675%0.748SS**  trans-59.593.5166.7-68.1178.3-179.9-123.91.5106.8L196 V200L196-R198 PolarHBondContact O-N 3.35Å; R198-V200 VanDerWaalsContact C-N 3.25Å; R198-V200 PolarHBondContact O-N 2.75Å
199S31.3Very low32.5Very low108 Ų108137.7 Ų137.776%0.75575%0.75SS**  trans-6796.9157.953.30000105.6S197 P201S197-S199 PolarHBondContact O-N 3.27Å; S199-P201 WeakPolarHBondContact O-CD 3.37Å
200V31.9Very low32.4Very low120 Ų120136.5 Ų136.573%0.72775%0.75SS**  trans-57.4122.6164.81760000105.7R198 E202R198-V200 VanDerWaalsContact C-N 3.25Å; R198-V200 PolarHBondContact O-N 2.75Å; V200-E202 PolarHBondContact O-N 2.73Å; V200-E202 VanDerWaalsContact O-N 3.13Å
201P34.1Very low32.1Very low109 Ų109134.3 Ų134.371%0.70875%0.747SS**  trans-62117.7175.2-14.827.8000107.6S199 L203S199-P201 WeakPolarHBondContact O-CD 3.37Å; P201-L203 PolarHBondContact O-N 2.73Å
202E34.8Very low31.8Very low188 Ų188131.7 Ų131.788%0.87975%0.751SS**  trans-58.3110.3162.7-90.8178.7151.700107V200 Q204V200-E202 PolarHBondContact O-N 2.73Å; V200-E202 VanDerWaalsContact O-N 3.13Å; E202-Q204 PolarHBondContact O-N 2.82Å
203L35.6Very low31.8Very low154 Ų154137.1 Ų137.181%0.80676%0.76SS**  trans-61.9104.2167.1-78.1158.8000106.1P201 D205P201-L203 PolarHBondContact O-N 2.73Å; L203-D205 VanDerWaalsContact C-N 3.3Å; L203-D205 PolarHBondContact O-N 2.7Å
204Q34.5Very low31.9Very low158 Ų158135.9 Ų135.974%0.73876%0.759SS**  trans-66.799.8164.4-73.7-178.72.700106.5E202 H206E202-Q204 PolarHBondContact O-N 2.82Å; Q204-H206 VanDerWaalsContact C-N 3.3Å; Q204-H206 PolarHBondContact O-N 3.36Å
205D37.4Very low31.7Very low142 Ų142136.8 Ų136.876%0.75977%0.765SS**  trans-60.894.8170.8-73.5-34000108.2L203 S207L203-D205 VanDerWaalsContact C-N 3.3Å; L203-D205 PolarHBondContact O-N 2.7Å; D205-S207 PolarHBondContact O-N 2.88Å
206H32.9Very low32Very low166 Ų166140 Ų14077%0.76978%0.776SS**  trans-70.774.5165.1-67.4-49.1000108.6Q204 C208Q204-H206 VanDerWaalsContact C-N 3.3Å; Q204-H206 PolarHBondContact O-N 3.36Å; H206-C208 VanDerWaalsContact C-N 3.32Å; H206-C208 PolarHBondContact O-N 2.8Å
207S33.3Very low31.8Very low94 Ų94136.3 Ų136.366%0.65777%0.774SS**  trans-71.393.616460.90000108.1D205 V209D205-S207 PolarHBondContact O-N 2.88Å; S207-V209 PolarHBondContact O-N 3.21Å
208C24.7Very low31.7Very low127 Ų127138.7 Ų138.786%0.85878%0.778SS**  trans-66.297.1167.6-168.90000108.1H206H206-C208 VanDerWaalsContact C-N 3.32Å; H206-C208 PolarHBondContact O-N 2.8Å
209V34.5Very low31.6Very low111 Ų111133.1 Ų133.167%0.67377%0.774SS**  trans-98.5116.2173.1-175.30000108.7S207 S211S207-V209 PolarHBondContact O-N 3.21Å; V209-S211 PolarHBondContact O-N 2.81Å
210P29.2Very low31.7Very low116 Ų116138 Ų13875%0.75378%0.777SS**  trans-84.1109.7171.131.2-25.9000108.6
211S30.7Very low31.5Very low111 Ų111141.4 Ų141.478%0.77679%0.785SS**  trans-142.791.7163.3-82.80000109.5V209V209-S211 PolarHBondContact O-N 2.81Å
212G25.9Very low30.9Very low70 Ų70141.8 Ų141.872%0.72279%0.789SS**  trans-87.1113.5148.500000106.7
213Y31.8Very low30.7Very low214 Ų214140.4 Ų140.484%0.83979%0.788SS**  trans-162.2107.7147-108.5-82.2000108.5
214L33.9Very low30.4Very low151 Ų151139.1 Ų139.179%0.79179%0.786SS**  trans64.6104149.1-58.5174.1000119.4
215D27.7Very low30Very low153 Ų153138.8 Ų138.882%0.81879%0.788SS**  trans-36.1127.8142.2-69.4-49.3000112.6
216N34.2Very low29.7Very low164 Ų164137.6 Ų137.688%0.87779%0.788SS**  -165.6121126.6-92.8-26.3000108.7
217G28.2Very low29.4Very low74 Ų74134.3 Ų134.376%0.76378%0.783SS**  trans-69.2161.4-166.900000114.7
218L33Very low29.5Very low155 Ų155139.4 Ų139.481%0.81280%0.797SS**  trans-153.2117.2138.5-95.7165.1000106Y220L218-Y220 PolarHBondContact O-N 2.75Å
219S24.8Very low29.8Very low110 Ų110139.7 Ų139.777%0.76979%0.789SS**  trans-67.9126.4176.765.90000109.8
220Y33.2Very low29.6Very low212 Ų212144.4 Ų144.483%0.83180%0.796SS**  trans-133.2126.5150.1-76.9-74.7000110.7L218L218-Y220 PolarHBondContact O-N 2.75Å
221Q26.9Very low29.8Very low191 Ų191144.2 Ų144.289%0.89380%0.795SS**  trans-48.6137.6179.8-109.3157.3-46.500113.5
222C21.7Very low29.7Very low116 Ų116148.3 Ų148.378%0.78480%0.799SS**  trans-60.6139.9161.5-61.10000110.6
223N30.6Very low29.7Very low159 Ų159149.8 Ų149.885%0.8580%0.798SS**  trans-143.3101.9148.2-102.7-6.9000110.4
224V28.3Very low29.5Very low127 Ų127144.2 Ų144.277%0.7779%0.791SS**  trans22.7112.9144-169.50000117.6
225I26.2Very low29.1Very low152 Ų152142 Ų14278%0.77979%0.787SS**  trans-83.4129162.9-60.8164.7000108.6
226P32.6Very low29.1Very low117 Ų117143.4 Ų143.476%0.7679%0.789SS**  trans-100.5121.1155.23.616.8000109.6E228P226-E228 PolarHBondContact O-N 3.05Å
227S26.2Very low28.8Very low97 Ų97144.1 Ų144.168%0.67879%0.792SS**  trans-71.2113.2174.9-56.20000111.3
228E35.1Very low28.8Very low200 Ų200146 Ų14694%0.93579%0.788SS**  trans-122.8107.8148.9-75.7-164.6176.700109P226P226-E228 PolarHBondContact O-N 3.05Å
229L30.4Very low28.5Very low134 Ų134143.8 Ų143.870%0.70279%0.786SS**  trans-101112.6-177.7-95157.9000107.5
230Y30.1Very low28.4Very low209 Ų209143.9 Ų143.982%0.8279%0.786SS**  165.5151.7110.2-97.8-86.5000111.2
231P33.2Very low28.1Very low112 Ų112142.8 Ų142.873%0.72779%0.786SS**  trans-105150.6-149.838.7-31.6000114.1
232K30Very low28.3Very low197 Ų197139.5 Ų139.586%0.85778%0.781SS**  trans-125.5123.7159.6-92.4-178.4177.21760109.6
233S26.6Very low28.7Very low102 Ų102140.1 Ų140.171%0.71378%0.781SS**  trans42127.6142.156.50000122
234S26.4Very low28.6Very low97 Ų97140 Ų14068%0.67878%0.78SS**  trans69.1105.4137.866.30000120.4
235S25.5Very low28.6Very low103 Ų103141.2 Ų141.272%0.7278%0.782SS**  41.1104.7127.861.90000119
236H28.6Very low28.9Very low183 Ų183140.4 Ų140.485%0.84778%0.779SS**  trans-137.2101141.9-83.2-44.7000110.2
237L26.7Very low28.8Very low179 Ų179142.8 Ų142.894%0.93778%0.778SS**  trans-71.8116.2149.4-76.6164.6000106.3
238T28.4Very low28.9Very low113 Ų113144.9 Ų144.969%0.69378%0.78SS**  trans-140.286.7165-50.20000107.1
239S26.1Very low28.5Very low109 Ų109142.4 Ų142.476%0.76277%0.773SS**  trans-77.3121.3163.856.60000108.3
240C23.8Very low28.5Very low113 Ų113141.1 Ų141.176%0.76478%0.782SS**  trans-65.9123.3-180-54.30000112
241F25.7Very low28.4Very low189 Ų189138.4 Ų138.483%0.82978%0.78SS**  trans-140.2133.6148.3-83.9-74.7000109.4
242P31.3Very low28.1Very low121 Ų121137.3 Ų137.379%0.78678%0.78SS**  trans-81.9125.2-173.231.3-30.7000111.1
243V30.5Very low28.1Very low130 Ų130134.4 Ų134.479%0.78878%0.779SS**  trans-87.6117.6175.6178.40000108.4N245V243-N245 PolarHBondContact O-N 2.81Å
244N29.9Very low28Very low157 Ų157135.6 Ų135.684%0.8478%0.782SS**  trans-61.6116171.1-80.6-25.8000110
245N27Very low28.1Very low151 Ų151136.5 Ų136.581%0.80778%0.784SS**  trans-88.1103.9165.3-90.5-17.9000108.4V243V243-N245 PolarHBondContact O-N 2.81Å
246D32Very low28.1Very low135 Ų135137.1 Ų137.172%0.72278%0.783SS**  trans-150.3109.8158.2-97.7-39.3000111.3
247K31.1Very low27.9Very low168 Ų168133 Ų13373%0.7378%0.775SS**  trans82110.7138.1-66.5174.5-176.8170.10121.9
248I28.3Very low28.3Very low141 Ų141131.8 Ų131.872%0.72377%0.768SS**  79108.2119.5-59.3167000118.5
249N26.3Very low28.3Very low148 Ų148132.4 Ų132.479%0.79177%0.766SS**  trans19.2117.9132.8-61.4-16.1000119.3
250A31.8Very low28.5Very low107 Ų107135.3 Ų135.388%0.88477%0.773SS**  trans-137.1118.5143.900000109.2
251I27.3Very low28.7Very low151 Ų151136 Ų13677%0.77477%0.769SS**  trans-83.8141.4-176.4-73.2163.3000109.5
252A26.1Very low29Very low89 Ų89135.5 Ų135.574%0.73678%0.775SS**  trans34.8112.4151.800000119.3
253T30.2Very low28.8Very low136 Ų136137.8 Ų137.883%0.83478%0.775SS**  trans-123.3100.8151.9-23.50000109.4
254T25.2Very low28.8Very low128 Ų128140.5 Ų140.579%0.78578%0.782SS**  trans-47.4129.6154.621.20000112.3
255T27.1Very low28.8Very low116 Ų116140.5 Ų140.571%0.71278%0.776SS**  trans-166112.2146.4-70000112.7
256T26Very low29.1Very low115 Ų115141 Ų14171%0.70678%0.779SS**  66.6119.9126.553.80000123.5
257S25.9Very low28.9Very low96 Ų96139.5 Ų139.567%0.67178%0.778SS**  51.6129.8126.969.80000119.2
258I33.7Very low29.1Very low155 Ų155140.3 Ų140.380%0.79578%0.782SS**  -162.510276.5-76.3149.4000107
259I29.4Very low29.2Very low125 Ų125140.7 Ų140.764%0.64178%0.784SS**  15.9112.9108.6-51.5176.3000116.2
260N28.7Very low29.5Very low170 Ų170140.6 Ų140.691%0.90978%0.783SS**  trans-128115.8138-112.7-11.9000109
261N28.7Very low29.2Very low129 Ų129143.5 Ų143.569%0.6978%0.784SS**  trans-73.2139.9172-70.7-41.1000109.5
262N32.8Very low29.3Very low177 Ų177141.5 Ų141.595%0.94778%0.783SS**  trans-145.3136.4138-96.1-29.6000109.7
263Q27Very low29.4Very low169 Ų169141.4 Ų141.479%0.7978%0.777SS**  trans-101.3129.2-159-178.5-179.88.900108.5
264M30.4Very low29.2Very low188 Ų188144.2 Ų144.293%0.92677%0.774SS**  trans-161104.7140.3-114.8-170.9-7100108.4
265E29.8Very low29.3Very low156 Ų156144.9 Ų144.973%0.72977%0.773SS**  trans-60.6150160.6-75.9170118.100110
266L33.3Very low29.4Very low163 Ų163147.2 Ų147.285%0.85378%0.78SS**  trans-168.198.6131.5-100.4152.5000109.8
267S28.2Very low29.7Very low102 Ų102147.1 Ų147.171%0.71378%0.781SS**  trans-82.3115.5158440000109.1
268K35.2Very low29.9Very low185 Ų185149.9 Ų149.980%0.80479%0.787SS**  trans179.587.7157.2-98.5170.6-171.5-174.40104.8
269I30Very low29.9Very low149 Ų149152.1 Ų152.176%0.76479%0.791SS**  40.499.295.2-51.6176.7000111.1
270D31.4Very low30Very low147 Ų147153 Ų15379%0.78680%0.797SS**  -166.2137.7106.1-103.3-33.3000112.4S272D270-S272 PolarHBondContact O-N 2.81Å
271N27.2Very low30.1Very low168 Ų168154.4 Ų154.490%0.89880%0.795SS**  trans-65.4112.6178.8-69.3-46.1000110.2
272S28.9Very low30.1Very low109 Ų109154.6 Ų154.676%0.76280%0.801SS**  trans-140.2109.4160.359.50000110.2D270D270-S272 PolarHBondContact O-N 2.81Å
273S27.1Very low30Very low87 Ų87151.7 Ų151.761%0.60879%0.792SS**  trans65.8144.5134.6-154.80000119.2
274Y27.2Very low30.2Very low195 Ų195151 Ų15177%0.76579%0.792SS**  trans91.591.2163.5-55.3-72.4000116.6
275D27.7Very low30.1Very low142 Ų142148.3 Ų148.376%0.75978%0.781SS**  55.378.2115-58.7-18.4000115.9P277D275-P277 WeakPolarHBondContact O-CD 3.5Å
276L28.6Very low30.3Very low165 Ų165149.8 Ų149.886%0.86479%0.788SS**  trans-78.5119.7151.8-105.1144.4000108.6I278L276-I278 PolarHBondContact O-N 2.93Å; L276-I278 VanDerWaalsContact O-N 3.09Å
277P33Very low30.2Very low113 Ų113150.7 Ų150.773%0.73479%0.788SS**  trans-65.5113.8178.525.4-31.6000109.4D275 K279D275-P277 WeakPolarHBondContact O-CD 3.5Å; P277-K279 PolarHBondContact O-N 3.46Å
278I29.8Very low30.3Very low154 Ų154153 Ų15379%0.7979%0.791SS**  trans-58114.2167.2-66168.3000107.4L276L276-I278 PolarHBondContact O-N 2.93Å; L276-I278 VanDerWaalsContact O-N 3.09Å
279K32.4Very low30Very low202 Ų202154.3 Ų154.388%0.87879%0.793SS**  trans-84.3118.7158.5-104.8-179.6178.4174.50107.8P277 K281P277-K279 PolarHBondContact O-N 3.46Å; K279-K281 PolarHBondContact O-N 2.98Å
280D32Very low30Very low144 Ų144154.6 Ų154.677%0.7780%0.795SS**  trans-45.9121.6171.1-61.6-56.7000112.8
281K31.2Very low29.8Very low199 Ų199155.2 Ų155.287%0.86579%0.793SS**  trans-169.790138.3-102.1163.5-170.8-173.50108.2K279 P283K279-K281 PolarHBondContact O-N 2.98Å; K281-P283 VanDerWaalsContact O-CD 3.28Å; K281-P283 WeakPolarHBondContact O-CD 3.43Å
282T29.1Very low29.9Very low132 Ų132151.1 Ų151.181%0.8178%0.777SS**PPolyproline II helixtrans-48.9119165.141.20000112.1
283P29.8Very low29.8Very low117 Ų117153 Ų15376%0.7678%0.779SS**PPolyproline II helixtrans-88.412515411.38.4000108.4K281K281-P283 VanDerWaalsContact O-CD 3.28Å; K281-P283 WeakPolarHBondContact O-CD 3.43Å
284I31.2Very low29.8Very low155 Ų155160.2 Ų160.280%0.79580%0.795SS**PPolyproline II helixtrans-85.7124.2169.4-71.1174.9000108.6
285N29.7Very low29.8Very low130 Ų130160.1 Ų160.170%0.69580%0.801SS**PPolyproline II helixtrans-56.8144.7165.9-74.1-32.3000112.7
286H32.3Very low29.8Very low188 Ų188159.3 Ų159.387%0.8780%0.801SS**  trans-133.599.9137.1-94.2-70.3000107.6
287E33.1Very low29.6Very low182 Ų182156.1 Ų156.185%0.8579%0.793SS**  trans-76.2138.8165.4-88.1-172.2149.400110.3
288L30Very low29.4Very low150 Ų150157.6 Ų157.679%0.78579%0.793SS**  trans-76.5128170.8-70.1147.7000109.2
289Y28.4Very low29.1Very low213 Ų213157.7 Ų157.784%0.83580%0.795SS**  trans-138.5108.7147.7-121.6-91.7000109.4
290L28.9Very low28.9Very low154 Ų154152 Ų15281%0.80679%0.785SS**  trans-84.6124.1167.6-77155.8000107.6
291Q28.7Very low28.6Very low160 Ų160152.8 Ų152.875%0.74879%0.79SS**  trans-155.3109.4151.2-122.9164.7-28.100113.1
292S27.9Very low28.7Very low82 Ų82151.3 Ų151.357%0.57379%0.79SS**  trans68.6111.213446.80000121.5
293N27.8Very low28.5Very low148 Ų148152 Ų15279%0.79179%0.788SS**  65.4104.3121.2-55.8-21.3000118.6
294Y26.9Very low28.4Very low240 Ų240155.8 Ų155.894%0.94180%0.795SS**  trans-119.3126.2140.6-84.7-80.9000110.8
295Q28.3Very low28Very low193 Ų193151.9 Ų151.990%0.90279%0.793SS**  trans-81.2119.9-172.8-165.5155.2-16.300108.9
296T26.1Very low27.8Very low125 Ų125152.9 Ų152.977%0.76780%0.798SS**  trans-89.2134.8168.8360000110.7
297S26.1Very low27.6Very low98 Ų98153.3 Ų153.369%0.68580%0.798SS**  trans79.1118.6147.975.90000117.2
298I26.9Very low27.2Very low143 Ų143150.1 Ų150.173%0.73379%0.791SS**  168.5127.1103.7-82.6155.4000110.2
299N24.8Very low27.2Very low157 Ų157149.9 Ų149.984%0.8479%0.79SS**  trans81.1137.8147.8-82.9-17.3000125
300A28.2Very low27Very low81 Ų81144.6 Ų144.667%0.66978%0.784SS**  trans94.687.9138.500000118.3I302A300-I302 PolarHBondContact O-N 2.88Å
301N25.4Very low26.8Very low162 Ų162142.8 Ų142.887%0.86678%0.783SS**  9.2107.9124.2-66.6-17.9000116.1
302I32.9Very low26.6Very low167 Ų167140.6 Ų140.686%0.85678%0.781SS**  trans-132.4111.9146.2-62.5-177.6000108.1A300A300-I302 PolarHBondContact O-N 2.88Å
303L25.3Very low26.6Very low148 Ų148142.6 Ų142.678%0.77579%0.79SS**  trans-58.8134.5160.3-76.6124.5000110.1
304H26.7Very low26.4Very low195 Ų195140.3 Ų140.390%0.90379%0.786SS**  162.2142.4121.7-98.7-42.7000111.6
305G24.6Very low26.4Very low74 Ų74134 Ų13476%0.76378%0.777SS**  trans118.980.5147.500000115.4
306N25.5Very low26.6Very low150 Ų150131 Ų13180%0.80277%0.772SS**  trans-50.6150151.4-69.8-33.2000111.1
307F27Very low27Very low197 Ų197130.1 Ų130.186%0.86477%0.768SS**  trans165.397.2139.2-92.3-70.7000106.5
308V24.7Very low27Very low116 Ų116131.1 Ų131.170%0.70377%0.77SS**  48104.695.3-1740000112.1
309N29.7Very low27Very low144 Ų144130.6 Ų130.677%0.7777%0.768SS**  trans178.2122.1132.1-90.3-21.1000112.1
310S23.6Very low27Very low102 Ų102130.1 Ų130.171%0.71376%0.762SS**  trans32.5129.7137.457.70000120.7
311C25.8Very low27Very low116 Ų116134.4 Ų134.478%0.78477%0.766SS**  trans170.1110141.3-88.40000108.6
312T25Very low27Very low114 Ų114134 Ų13470%0.69976%0.764SS**  69.2122.194.649.20000117
313T26.3Very low26.8Very low124 Ų124131.2 Ų131.276%0.76176%0.759SS**  trans74.6139.3131.755.90000122.8
314S25.4Very low26.7Very low101 Ų101129.8 Ų129.871%0.70676%0.76SS**  trans88.2104.3135.673.50000120.2
315S27.2Very low26.6Very low107 Ų107126.4 Ų126.475%0.74876%0.757SS**  56.2113.2123.263.40000120.5
316T30.6Very low27Very low130 Ų130131.7 Ų131.780%0.79877%0.767SS**  trans-48.1175.1140.242.30000113.2
317P34.6Very low27.1Very low107 Ų107133.6 Ų133.670%0.69577%0.768SS**  cis-136.1-173.1-1.924.21.5000114.5
318T27.7Very low27.3Very low119 Ų119129.8 Ų129.873%0.7377%0.765SS**  trans107.7128135.1-1.80000120.1
319I26.8Very low27.6Very low132 Ų132131.5 Ų131.568%0.67777%0.771SS**  trans101.997.9144.9-59.8172.4000119.1
320M25.3Very low27.6Very low147 Ų147129.7 Ų129.772%0.72477%0.769SS**  70.8141.8127-78.7-166.8-96.600124
321K26.5Very low27.8Very low170 Ų170134.3 Ų134.374%0.73978%0.78SS**  trans92.897.4141.9-80.7163.5-177.3-175.60117.8
322D25.9Very low28Very low155 Ų155134.3 Ų134.383%0.82978%0.779SS**  27.7110.7114-57.4-23.7000116.5
323S28.4Very low28.3Very low108 Ų108135.5 Ų135.576%0.75579%0.786SS**  trans-169.4120.2134300000112
324C22.9Very low28.5Very low118 Ų118136.8 Ų136.880%0.79779%0.788SS**  trans65.696.6130.4-56.40000119.5
325C26.3Very low28.8Very low124 Ų124139.2 Ų139.284%0.83879%0.792SS**  14.9127.5115.9-55.60000117.8
326L31.4Very low29Very low185 Ų185139.9 Ų139.997%0.96979%0.794SS**  trans-145.3136.9132.4-101.2168.5000110.3
327K28.6Very low28.9Very low190 Ų190141.9 Ų141.983%0.82680%0.8SS**  trans-121.4126.6-164.4-173.3172.4-173.4176.60105.7
328S30.7Very low28.7Very low116 Ų116141.2 Ų141.281%0.81180%0.803SS**  trans-109.197.4172.850.70000110.2
329N30.7Very low28.6Very low153 Ų153144.9 Ų144.982%0.81881%0.814SS**  trans26.498.1138.8-55.7-16.4000118.8
330S30.3Very low28.7Very low105 Ų105146.5 Ų146.573%0.73482%0.816SS**  trans-76.1122.2149.351.20000110.3C332S330-C332 PolarHBondContact O-N 2.86Å
331E28.2Very low29Very low200 Ų200147 Ų14794%0.93581%0.812SS**  trans-72100.8150.6-91.5-179.2151.800107.4
332C29.9Very low29Very low115 Ų115144.9 Ų144.978%0.77782%0.818SS**  trans-108.1110.6163.5-1190000106.5S330S330-C332 PolarHBondContact O-N 2.86Å
333V31.6Very low29.3Very low139 Ų139143.3 Ų143.384%0.84281%0.81SS**  trans-63.2132.7168.1171.20000109I335V333-I335 PolarHBondContact O-N 2.63Å
334D30.9Very low29.3Very low151 Ų151143.4 Ų143.481%0.80781%0.81SS**  trans-47.9118.9175-70.1-55.2000113.2
335I31.4Very low29.7Very low152 Ų152147.5 Ų147.578%0.77982%0.815SS**  trans-135.3127.3140.9-58.6-176.4000108V333 N337V333-I335 PolarHBondContact O-N 2.63Å; I335-N337 PolarHBondContact O-N 2.68Å
336P31.3Very low29.9Very low122 Ų122147.6 Ų147.679%0.79281%0.811SS**  trans-66.3121.2-168.423.1-33.2000113.6A338P336-A338 PolarHBondContact O-N 2.82Å
337N26.9Very low29.8Very low171 Ų171146.7 Ų146.791%0.91481%0.807SS**  trans-72.4101.5161.9-92.3-39.6000110.1I335I335-N337 PolarHBondContact O-N 2.68Å
338A30.4Very low30.1Very low93 Ų93145.4 Ų145.477%0.76981%0.808SS**  trans-150.964.4158.700000111.5P336P336-A338 PolarHBondContact O-N 2.82Å
339M26.4Very low30.2Very low196 Ų196145.2 Ų145.297%0.96680%0.798SS**  trans-158.2110139.4-121.7162.9177.300110.7
340K29.6Very low30.3Very low166 Ų166147.8 Ų147.872%0.72280%0.801SS**  trans-101.4134.1-172.8-117.3175168.4-166.30108.4
341Y31.1Very low30.1Very low159 Ų159152.3 Ų152.362%0.62480%0.803SS**  trans7799.6156.6-54.3-66.8000118.7
342S26.3Very low30.2Very low124 Ų124151.3 Ų151.387%0.86780%0.798SS**  -122.8109.8127.2-70.10000107.7
343D31.4Very low30Very low123 Ų123153.9 Ų153.966%0.65880%0.798SS**  trans-67123.2-180-65.9-46.4000110.6
344S29.3Very low29.9Very low109 Ų109158.5 Ų158.576%0.76280%0.802SS**  trans-152.759.5165-63.60000108.8V346S344-V346 PolarHBondContact O-N 2.82Å
345F30.6Very low29.7Very low204 Ų204159.7 Ų159.790%0.89580%0.803SS**  trans-86.5104.5170.6-82.1-78.3000109.8
346V31.6Very low30.2Very low126 Ų126157.3 Ų157.376%0.76480%0.797SS**  trans-66.4132.4164.8171.10000108.8S344 L348S344-V346 PolarHBondContact O-N 2.82Å; V346-L348 PolarHBondContact O-N 3.27Å
347L29.8Very low30.1Very low167 Ų167159.6 Ų159.687%0.87480%0.802SS**  trans-52.7123167.4-87.699.1000110.5
348L34.9Very low30.1Very low163 Ų163161.5 Ų161.585%0.85380%0.798SS**  trans-114.9103.9157.2-89.8164.7000109.6V346 K350V346-L348 PolarHBondContact O-N 3.27Å; L348-K350 PolarHBondContact O-N 2.89Å
349D31Very low30.1Very low112 Ų112163.6 Ų163.660%0.59980%0.796SS**  trans-32.1112.3158.4-169.212.8000112.8R351D349-R351 PolarHBondContact OD1-N 3.46Å
350K33.2Very low30.3Very low206 Ų206159.3 Ų159.390%0.89678%0.783SS**  trans-113.683.8159.3-82.1-165.1178.2-175.70109.2L348L348-K350 PolarHBondContact O-N 2.89Å
351R26.1Very low30.2Very low201 Ų201160.6 Ų160.676%0.75879%0.789SS**  trans-57.8132.1146.5-76.6171.2157.5153.1-5.9110D349D349-R351 PolarHBondContact OD1-N 3.46Å
352Q31Very low30.2Very low178 Ų178159 Ų15983%0.83280%0.796SS**  trans161.894.5140-88.5167.43500106.8
353Q25.7Very low30.2Very low169 Ų169158.3 Ų158.379%0.7979%0.791SS**  64.69472.6-162.71794.800111.3
354Y30Very low30Very low236 Ų236157.2 Ų157.293%0.92579%0.793SS**  trans-163.7119133.5-100.1-73.7000109.5
355Q26.1Very low29.9Very low176 Ų176159.5 Ų159.582%0.82280%0.795SS**  trans-82.5-164.5166.2-58.1-164.3-28.600109.7
356P40.6Very low29.8Very low102 Ų102160.7 Ų160.766%0.66280%0.795SS**  cis-129.8155-25.817.15.6000112.2
357L29.1Very low29.6Very low171 Ų171159.5 Ų159.590%0.89579%0.793SS**  trans-128.1105.6160.2-117.6101.6000112.1
358Y27.9Very low29.7Very low211 Ų211160.1 Ų160.183%0.82779%0.791SS**  trans55.6116.1133.4-90.5-94.7000121.8
359N30.5Very low29.4Very low137 Ų137157.3 Ų157.373%0.73378%0.78SS**  trans-69.6135164.9-174.613.4000112
360P29.9Very low29.2Very low106 Ų106158.5 Ų158.569%0.68880%0.796SS**  trans-127.1129.5150.830.7-14.9000111.5T362P360-T362 PolarHBondContact O-N 3.03Å
361F29Very low28.9Very low192 Ų192153 Ų15384%0.84278%0.783SS**  trans-31.7128.1161-70.3-96.1000113.1
362T30.9Very low28.9Very low127 Ų127153 Ų15378%0.77979%0.788SS**  trans-178.2109.713729.60000110.9P360P360-T362 PolarHBondContact O-N 3.03Å
363S25.8Very low28.7Very low108 Ų108150.8 Ų150.876%0.75579%0.792SS**  trans64.6140.6143.661.20000121.5
364S26.9Very low28.7Very low100 Ų100147.4 Ų147.470%0.69979%0.785SS**  trans74.864.4166.370.20000116.1Y366S364-Y366 PolarHBondContact O-N 2.94Å
365I28.3Very low28.6Very low157 Ų157145.5 Ų145.581%0.80578%0.782SS**  trans-66.279.7153.3-51.3171000107S367I365-S367 VanDerWaalsContact C-N 3.26Å; I365-S367 PolarHBondContact O-N 2.73Å
366Y27.1Very low28.6Very low230 Ų230143.9 Ų143.990%0.90278%0.784SS**  trans-85.475.7156.7-112.4-85.1000106.4S364S364-Y366 PolarHBondContact O-N 2.94Å
367S27.1Very low27.9Very low101 Ų101149.2 Ų149.271%0.70679%0.793SS**  trans-170.864.1161.5-163.70000108.7I365 V369I365-S367 VanDerWaalsContact C-N 3.26Å; I365-S367 PolarHBondContact O-N 2.73Å; S367-V369 PolarHBondContact O-N 2.9Å
368E32.5Very low27.8Very low180 Ų180146.8 Ų146.884%0.84178%0.781SS**  trans-78.9105.7162.6-84.1-171.2166.500109.3
369V29.4Very low27.9Very low104 Ų104145 Ų14563%0.6379%0.786SS**  trans63.793.8130.4-165.20000115.7S367 S371S367-V369 PolarHBondContact O-N 2.9Å; V369-S371 WeakPolarHBondContact CG1-OG 3.5Å; V369-S371 PolarHBondContact O-N 3.3Å; V369-S371 VanDerWaalsContact O-N 3.08Å
370C25.7Very low27.7Very low136 Ų136144.3 Ų144.392%0.91978%0.782SS**  trans-48.5109.8145.8-154.90000109.2
371S27.1Very low27.8Very low90 Ų90147 Ų14763%0.62979%0.79SS**  trans-151118163.5-77.90000108.9V369 C373V369-S371 WeakPolarHBondContact CG1-OG 3.5Å; V369-S371 PolarHBondContact O-N 3.3Å; V369-S371 VanDerWaalsContact O-N 3.08Å; S371-C373 PolarHBondContact O-N 3.44Å
372K26.5Very low27.7Very low201 Ų201143.7 Ų143.787%0.87478%0.782SS**  trans-29.8111166.7-84.2165.3165.9172.60111.4C374K372-C374 PolarHBondContact O-N 3.29Å
373C26.8Very low27.9Very low133 Ų133144.7 Ų144.790%0.89978%0.782SS**  trans-68.591.2151.7-69.20000107.4S371S371-C373 PolarHBondContact O-N 3.44Å
374C25.9Very low27.9Very low97 Ų97145.1 Ų145.166%0.65578%0.776SS**  trans-109.1148134.8-72.40000105.6K372K372-C374 PolarHBondContact O-N 3.29Å
375F26.9Very low28Very low197 Ų197147.2 Ų147.286%0.86478%0.779SS**  trans96.972.5-175.9-52.6-68.5000116
376T27.8Very low28Very low141 Ų141148.6 Ų148.687%0.86578%0.782SS**  -118105.9128.533.30000105.2
377Y24.5Very low27.9Very low215 Ų215142.6 Ų142.684%0.84377%0.774SS**  74.3118.982.8-103.9-87.4000113.9
378D26.7Very low27.8Very low119 Ų119143.7 Ų143.764%0.63678%0.776SS**  trans-42.5140.8176.2-67.5-69.7000115.6
379N29.8Very low27.7Very low175 Ų175140.6 Ų140.694%0.93677%0.77SS**  trans-144.5114.8130.3-117.9-17.9000110.2
380N27Very low27.6Very low121 Ų121142.3 Ų142.365%0.64778%0.78SS**  trans-77.1146-179.1-78.4-58000111.9
381N31.3Very low27.9Very low162 Ų162140.9 Ų140.987%0.86677%0.768SS**  trans176.984141.8-89.9-16000104.9
382N28.6Very low27.9Very low124 Ų124143.7 Ų143.766%0.66378%0.776SS**  52.587.775.1-145.527.6000111.3
383D33.3Very low27.9Very low148 Ų148139.8 Ų139.879%0.79177%0.774SS**  trans-172.992.2140.7-86.6-29.5000106.2
384N26.2Very low28.1Very low117 Ų117138.5 Ų138.563%0.62676%0.764SS**  61.3132.490.6-79.2-33.5000114
385N28.7Very low28.2Very low143 Ų143140.4 Ų140.477%0.76577%0.768SS**  trans92.490.6166-48.8-36.3000113.7
386Q28.4Very low28.3Very low187 Ų187138 Ų13887%0.87476%0.763SS**  41.997.886-70.6-1699.600112.2
387S26.4Very low28.5Very low103 Ų103138.9 Ų138.972%0.7276%0.761SS**  trans-173.1129.8152.4-110.20000111.7
388T24.7Very low28.7Very low124 Ų124135 Ų13576%0.76176%0.76SS**  trans54.3111140.959.30000116
389V30.4Very low28.6Very low116 Ų116135.7 Ų135.770%0.70376%0.764SS**  -162.7111.862.9167.10000108.4T391V389-T391 HydrophobicContact CG1-CG2 4.02Å; V389-T391 VanDerWaalsContact CG1-OG1 3.22Å; V389-T391 WeakPolarHBondContact CG1-OG1 3.35Å
390T27.3Very low28.3Very low139 Ų139132 Ų13285%0.85375%0.751SS**  trans-75.2111.6143.137.60000108.2
391T32.4Very low28.3Very low107 Ų107133.7 Ų133.766%0.65676%0.76SS**  trans-148.694.1153.449.90000109.8V389V389-T391 HydrophobicContact CG1-CG2 4.02Å; V389-T391 VanDerWaalsContact CG1-OG1 3.22Å; V389-T391 WeakPolarHBondContact CG1-OG1 3.35Å
392N25.8Very low28Very low149 Ų149130.5 Ų130.580%0.79775%0.75SS**  59.392.2125.8-57-14.1000118.3
393S26.8Very low27.9Very low118 Ų118136 Ų13683%0.82576%0.763SS**  trans-41.8150.7145-43.20000112.8
394P31.6Very low27.5Very low107 Ų107134.2 Ų134.270%0.69576%0.762SS**  -144.4147108.333.8-17.6000115.4
395N28.3Very low27.7Very low137 Ų137134.7 Ų134.773%0.73377%0.773SS**  trans55.2108.8149.3-61.4-29.4000119.5
396L28.4Very low27.6Very low147 Ų147135.3 Ų135.377%0.7777%0.771SS**  85.7114.464.4-82.8169.3000114
397L32.2Very low28Very low158 Ų158134.3 Ų134.383%0.82777%0.77SS**  trans41.2110.2156.7-66.4166.8000117.2
398V28.1Very low28Very low133 Ų133136.1 Ų136.181%0.80677%0.765SS**  trans163.4136144.4154.50000110.8
399N24.4Very low28.3Very low135 Ų135138.1 Ų138.172%0.72277%0.765SS**  trans54.9115163.1-74.2-20000120.2
400S25Very low28.2Very low97 Ų97137.4 Ų137.468%0.67877%0.766SS**  70.9125.362.4-55.10000113.7
401L25.6Very low28.7Very low157 Ų157136.8 Ų136.882%0.82276%0.764SS**  trans94.298.3161.3-57.1156.8000115.1
402S24.8Very low28.5Very low94 Ų94135.2 Ų135.266%0.65777%0.769SS**  76.298.989.6-620000111.9
403Y27.7Very low28.6Very low240 Ų240139.8 Ų139.894%0.94178%0.775SS**  trans-150.5116.8141.2-100.4-76.8000110.5
404S24.9Very low28.7Very low110 Ų110143.8 Ų143.877%0.76978%0.778SS**  trans-63.1140.2167.2-40.50000110.1
405C30.7Very low28.5Very low127 Ų127145 Ų14586%0.85878%0.783SS**  trans-138.8111.8154.7-89.60000108.9
406E26.1Very low28.7Very low157 Ų157147 Ų14773%0.73479%0.794SS**  trans-64.8135.8167.6-61-178155.200109.8
407I35.6Very low28.9Very low165 Ų165149.6 Ų149.685%0.84680%0.799SS**  trans-130.1111155.2-63-179.2000107.9
408K28.2Very low28.6Very low141 Ų141147.3 Ų147.361%0.61380%0.796SS**  trans-88.1162.8170.3-68.9173.7176164.10110
409H29Very low28.9Very low166 Ų166146.7 Ų146.777%0.76980%0.795SS**  trans78145163.9-52.2-75.9000115.5
410S29Very low29.1Very low101 Ų101146.7 Ų146.771%0.70680%0.795SS**  cis-178.5170.4-14-101.40000105.1
411P37.4Very low29.4Very low127 Ų127149.5 Ų149.583%0.82580%0.797SS**  trans-92.7151.7-136.535.2-35.2000116
412G28.2Very low29.5Very low73 Ų73151.1 Ų151.175%0.75380%0.801SS**  trans-86.7139.7177.400000115
413R29.6Very low29.9Very low245 Ų245154.6 Ų154.693%0.92581%0.81SS**  trans73.1105.8139.5-80.2-174.8172.3-163.2-2121.2
414K27.7Very low29.9Very low203 Ų203148.5 Ų148.588%0.88380%0.803SS**  trans-49.3140.1143.2-56.9174176.8-179.90112.7
415T28Very low30.1Very low133 Ų133153.3 Ų153.382%0.81681%0.806SS**  trans-157.1119.1142.647.70000109.1
416N31.1Very low30.2Very low177 Ų177153.3 Ų153.395%0.94780%0.804SS**  trans-140.1138.1157.1-98.9-17.2000108.8
417K33Very low30.4Very low202 Ų202153 Ų15388%0.87881%0.807SS**  trans-84154.6-170.4-74.4173.6171.2178.30112.7
418S27.3Very low30.2Very low111 Ų111153.5 Ų153.578%0.77681%0.808SS**  trans-49.2149.7160.952.10000114.6
419P34.4Very low30.5Very low120 Ų120152.7 Ų152.778%0.77982%0.815SS**  -143.8145.589.932.2-13.1000113.3
420N28.5Very low30.5Very low135 Ų135153 Ų15372%0.72281%0.814SS**  79.3114.672-120.931000116.3
421E31.1Very low30.8Very low156 Ų156155.1 Ų155.173%0.72982%0.822SS**  trans73.4103.5143-70.6169-179.300123
422Q26.8Very low30.5Very low190 Ų190154.6 Ų154.689%0.88881%0.813SS**  33.8104.9125.8-64.8-175.64.300120.4
423I34.4Very low30.6Very low167 Ų167154.7 Ų154.786%0.85681%0.814SS**  trans-149.9135.4146-51.4-179.4000110.5
424S27.1Very low30.7Very low112 Ų112149.1 Ų149.178%0.78380%0.802SS**  trans87.1115.6153.7-123.60000122.6
425Y28.5Very low30.8Very low212 Ų212148.3 Ų148.383%0.83180%0.799SS**  trans-95.4148.1155.2-80.7-88.8000108.4
426P33Very low31Very low127 Ų127147.2 Ų147.283%0.82579%0.792SS**  -147.915674.134.1-12.7000116.7
427N30.3Very low30.7Very low151 Ų151145.5 Ų145.581%0.80779%0.788SS**  trans-71.9139.8173-88.9-38.7000112.7
428M32.3Very low30.5Very low175 Ų175139 Ų13986%0.86278%0.779SS**  trans-159.1136.8142.5-104.5-166.468.400112.2
429V33.6Very low30.4Very low124 Ų124141.7 Ų141.775%0.75278%0.779SS**  trans88.496166.8-162.30000118
430K29.6Very low30.2Very low171 Ų171141 Ų14174%0.74377%0.769SS**  trans-43.1135.4155-81.9168.3162.9172.30113.2
431V35.1Very low30.2Very low147 Ų147140.4 Ų140.489%0.89177%0.766SS**  trans-119.1114.1136.4176.10000106.9
432N31.2Very low30.1Very low116 Ų116139 Ų13962%0.6276%0.763SS**  trans-73.1140.2175.6-72.3-9.9000109.9
433G30.7Very low30.4Very low75 Ų75137.7 Ų137.777%0.77376%0.757SS**  trans-154.666.5165.400000108.6
434D30.4Very low30.2Very low127 Ų127138 Ų13868%0.67975%0.754SS**  trans34.9123.3137.9-69.5-9.2000121.5
435F30.5Very low30.3Very low186 Ų186139.8 Ų139.882%0.81676%0.755SS**  trans64.8132.5147.7-72.9-110.4000117.3
436T32Very low30.7Very low111 Ų111136.4 Ų136.468%0.68175%0.749SS**  cis-163.7145.49.3260000109.4
437T26.2Very low30.4Very low140 Ų140136.4 Ų136.486%0.85975%0.747SS**  trans22.4123.7135.2-27.60000119.9
438G27.9Very low30.7Very low67 Ų67136.9 Ų136.969%0.69175%0.749SS**  trans146.686.5152.600000113.2
439H25.8Very low30.6Very low166 Ų166135.8 Ų135.877%0.76975%0.746SS**  56.7134.491.8-91.2-24.4000113.6
440N29.5Very low30.4Very low105 Ų105134.4 Ų134.456%0.56175%0.748SS**  cis-165.3134.29.1-102.3-35.8000105.2
441N29.4Very low31.1Very low124 Ų124131.8 Ų131.866%0.66375%0.749SS**  63.4110.780.1-68.5-30.4000115.9
442N27.7Very low31.3Very low127 Ų127129.9 Ų129.968%0.67974%0.739SS**  76.1147.8127.1-69.9-23.2000122.3
443H33.9Very low31.2Very low161 Ų161130.7 Ų130.775%0.74575%0.748SS**  trans104103153-52.1-66.5000114.1
444Q29.9Very low31.3Very low174 Ų174132.4 Ų132.481%0.81375%0.746SS**  57.5111.873.5-83.7-1700.700114.3
445L29.7Very low31.3Very low150 Ų150131.5 Ų131.579%0.78575%0.75SS**  trans84.1133.5130.2-123.381.6000120
446I36.7Very low31.5Very low141 Ų141127.8 Ų127.872%0.72374%0.744SS**  trans114.9106.3146.7-58.4154.2000115.3L448I446-L448 HydrophobicContact CG2-CD1 4.23Å
447T27.3Very low31.5Very low127 Ų127127.2 Ų127.278%0.77975%0.745SS**  trans-58.4130154.6-52.30000111
448L36.4Very low31.8Very low161 Ų161127.2 Ų127.284%0.84374%0.739SS**  trans-163.1134.2147.1-105.8135.3000110.8I446I446-L448 HydrophobicContact CG2-CD1 4.23Å
449D29Very low31.9Very low151 Ų151130.7 Ų130.781%0.80774%0.741SS**  trans-68156.7178.4-77.1-56.5000113.8
450A29Very low32.7Very low95 Ų95127.5 Ų127.579%0.78574%0.735SS**  trans100.2144.9144.500000119.3
451P45.1Very low32.8Very low117 Ų117128.9 Ų128.976%0.7674%0.742SS**  trans-99.1172.8-156.144.9-36.2000111
452P39.5Very low33.2Very low107 Ų107129.5 Ų129.570%0.69575%0.746SS**  -160.5152.662.140.8-17.5000119.6
453T28.3Very low33.6Very low132 Ų132132.1 Ų132.181%0.8175%0.754SS**  trans56.7172.9143.454.30000120.4
454P33.8Very low33.7Very low112 Ų112131.1 Ų131.173%0.72775%0.752SS**  -119.4179-60.234.9-17.7000112.5
455S30Very low33.9Very low107 Ų107127.7 Ų127.775%0.74875%0.747SS**  trans-42.9172.2165.245.90000115.5
456P34.6Very low34Very low109 Ų109127.3 Ų127.371%0.70875%0.746SS**  cis-147.5-167.32439.6-16.5000116.2
457S31.9Very low33.9Very low99 Ų99127.7 Ų127.769%0.69275%0.749SS**  trans77.4147.9150.379.60000117.1
458N31.8Very low34.3Very low139 Ų139125.6 Ų125.674%0.74374%0.74SS**  cis-164.7134.81.6-107.7-23.4000106.3
459I30.7Very low34.3Very low140 Ų140124.7 Ų124.772%0.71874%0.736SS**  18.5149.9120.3-57.1172.7000115.8
460P42.5Very low34.5Very low100 Ų100124 Ų12465%0.64973%0.731SS**  cis-148.8171.822.514.115.4000119.9
461N30.7Very low34.9Very low133 Ų133125.1 Ų125.171%0.71173%0.728SS**  trans48.8130.8130.5-52-15.5000122
462D39Very low34.4Very low138 Ų138125.9 Ų125.974%0.73873%0.725SS**  -170.6151.299.5-89.3-26.5000112.6
463H36.1Very low34Very low182 Ų182128.3 Ų128.384%0.84373%0.732SS**  trans83.997.7-166.7-67.2-71.4000114.8
464I35.4Very low34Very low140 Ų140125.3 Ų125.372%0.71873%0.727SS**  cis57.895.436.8-48.1178.6000113.8
465S34.4Very low33.9Very low101 Ų101128.3 Ų128.371%0.70673%0.731SS**  -175.3118.9103.371.30000114
466N32.1Very low33.8Very low142 Ų142128.7 Ų128.776%0.75973%0.729SS**  70.7134.1129.2-66.4-13.1000125.2
467N34.7Very low33.8Very low149 Ų149131.8 Ų131.880%0.79774%0.735SS**  trans85.7136.9153.3-69.61.4000117.5
468S34.6Very low33.6Very low83 Ų83134.1 Ų134.158%0.5874%0.739SS**  cis170.1150.2-17.240.40000105.1
469N36.8Very low33.7Very low142 Ų142134.4 Ų134.476%0.75974%0.741SS**  trans88.5141.3170.5-50.3-22.7000116.6
470I34.5Very low33.5Very low138 Ų138132.4 Ų132.471%0.70874%0.739SS**  cis177.1129.5-24.3-103.8157.9000103.4
471V36.2Very low32.9Very low118 Ų118132.5 Ų132.572%0.71574%0.742SS**  trans49.7130.7136.3-169.70000118.2
472D34.5Very low32.8Very low132 Ų132131.4 Ų131.471%0.70674%0.744SS**  cis-168161.450-146-11.5000114.4
473L30.8Very low32.3Very low158 Ų158132.2 Ų132.283%0.82775%0.748SS**  trans-21.6151.3159.9-85.940.8000116.4
474G28.7Very low32.2Very low69 Ų69129.5 Ų129.571%0.71175%0.75SS**  cis163.2163.225.800000104.5
475Q31.8Very low32Very low175 Ų175130.6 Ų130.682%0.81876%0.756SS**  cis-179.113537.1-125.1-177.720.300106.7
476T28.6Very low31.9Very low116 Ų116136.7 Ų136.771%0.71276%0.763SS**  trans53.6137.413336.10000120.5
477Q33.2Very low32.4Very low174 Ų174135.2 Ų135.281%0.81376%0.762SS**  cis-155.1130.619.5-56.1-178.4-49.900106.4
478N27.8Very low32.2Very low147 Ų147135.1 Ų135.179%0.78676%0.761SS**  37.2116.283.4-74.3-10.1000117.1
479N33.8Very low32.1Very low145 Ų145137.1 Ų137.178%0.77578%0.775SS**  165.4104.6124.5-77.9-15.6000107.5
480S28.3Very low31.9Very low98 Ų98138.2 Ų138.269%0.68578%0.78SS**  59.5117.962.280.10000115.3
481S29.2Very low31.7Very low102 Ų102139.4 Ų139.471%0.71379%0.787SS**  118.1127.5123.378.60000119.1
482C28.5Very low31.5Very low111 Ų111139 Ų13975%0.7579%0.79SS**  trans73.1108.5140.8-61.60000119.2
483N28.9Very low31.2Very low154 Ų154139.3 Ų139.382%0.82480%0.796SS**  63.7106.385.1-82.6-9.4000114.4
484S34.3Very low31.2Very low126 Ų126137.5 Ų137.588%0.88180%0.797SS**  171.9150116.8-79.30000112.4
485L29.9Very low31.2Very low162 Ų162139.6 Ų139.685%0.84880%0.796SS**  trans-90.7140.5-166.3-70153.8000113
486R33.2Very low31.3Very low229 Ų229137.4 Ų137.486%0.86480%0.795SS**  trans62.1163.6145.5-92.2-179.8173.2165.3-1.5119.1
487P41.9Very low31.3Very low112 Ų112138.4 Ų138.473%0.72779%0.794SS**  cis-130-175.5-3.934.1-12.7000114.6
488D30.2Very low31.3Very low147 Ų147136.2 Ų136.279%0.78679%0.793SS**  trans-42.9140.7-179-53-66.9000117.7
489S33.1Very low31.4Very low125 Ų125133.9 Ų133.987%0.87479%0.785SS**  trans-157.5117.9142.6-83.70000110.9
490L32.8Very low31.2Very low164 Ų164133.1 Ų133.186%0.85979%0.785SS**  trans-67.4134.4164.1-64164.5000108.9
491L29.5Very low31.5Very low163 Ų163135.1 Ų135.185%0.85379%0.794SS**  trans141.6113.1148.3-96.582.7000109.3
492S32.8Very low31.3Very low111 Ų111141.3 Ų141.378%0.77680%0.801SS**  179106.3123.2-79.40000109.7
493T28.9Very low31.7Very low137 Ų137144 Ų14484%0.8480%0.803SS**  trans-25127.4142.228.80000113.8
494S30.4Very low31.6Very low120 Ų120141.6 Ų141.684%0.83980%0.798SS**  trans-142.3100.9149.1-123.90000110.1
495T29.2Very low31.7Very low113 Ų113141.3 Ų141.369%0.69380%0.796SS**  trans-65.3133.8159.2330000111.7
496T32.2Very low31.8Very low129 Ų129139.8 Ų139.879%0.79180%0.797SS**  trans-154.288.4151.1-53.60000105.7
497I29.1Very low31.5Very low137 Ų137134 Ų13470%0.70379%0.792SS**  35.4101.283.4-47.6-179.2000114.6
498T32.9Very low31.2Very low128 Ų128137 Ų13779%0.78580%0.802SS**  trans-128.196.2146.2-48.50000108.5
499T31.1Very low31.3Very low99 Ų99137.3 Ų137.361%0.60780%0.803SS**  trans18.8113.2134.649.50000118.2
500T29Very low31.3Very low129 Ų129137.1 Ų137.179%0.79180%0.802SS**  79.6110.773.957.20000117.1
501T33.3Very low31.4Very low140 Ų140134.6 Ų134.686%0.85980%0.795SS**  trans-161.5100.7141.926.70000106
502R26.7Very low31.5Very low232 Ų232133.9 Ų133.988%0.87579%0.792SS**  42119.486.9-115.8-176.2170.9122.8-0.2111.4
503E35.5Very low31.4Very low166 Ų166134.8 Ų134.878%0.77680%0.799SS**  -163.2122.459.6-72.2178163.700109.8
504S28.4Very low31.5Very low105 Ų105136.6 Ų136.673%0.73480%0.8SS**  43.4111.5105.853.40000118.1
505S34.6Very low31.7Very low120 Ų120136.1 Ų136.184%0.83980%0.796SS**  trans-162110.4146.8-74.30000111.6
506C33Very low32Very low129 Ų129135.7 Ų135.787%0.87280%0.798SS**  trans38.5125.5145.7-55.50000122.7
507S27.2Very low32.1Very low108 Ų108138 Ų13876%0.75580%0.8SS**  trans-47.1139.5157.8-40.10000113.9
508D35.9Very low32.5Very low175 Ų175139.5 Ų139.594%0.93681%0.809SS**  trans-128.1120.6147.6-104.5-29.6000109.7
509L31.5Very low32.6Very low153 Ų153138.5 Ų138.580%0.80181%0.807SS**  trans-80.9129.1179.6-69.7154000108.9
510S34Very low32.7Very low122 Ų122138.1 Ų138.185%0.85381%0.814SS**  trans-179.997.1137.2-85.80000112.2
511P33.7Very low32.9Very low111 Ų111140.4 Ų140.472%0.72182%0.82SS**  trans-129.2110.5147.731.3-16.4000109
512N31.1Very low32.7Very low147 Ų147137.5 Ų137.579%0.78682%0.818SS**  trans-166.2112.8161.4-90.4-29.8000110.7
513S32Very low32.8Very low131 Ų131130.2 Ų130.292%0.91682%0.816SS**  trans-155.282.6148.1-75.10000107.2
514M30.1Very low32.3Very low175 Ų175125.9 Ų125.986%0.86282%0.815SS**  trans-74.1134167.1-63.7175.162.600108.7
515S35.5Very low32.6Very low110 Ų110129.3 Ų129.377%0.76982%0.817SS**  trans-134.5103.8160.6-175.20000109.5
516S35.5Very low32.5Very low104 Ų104131.1 Ų131.173%0.72781%0.81SS**  trans0.4108.9158.150.90000118.6
517H34.8Very low32.2Very low178 Ų178132.5 Ų132.582%0.82480%0.803SS**  trans-91.4107.2145.4-96.1-80.8000108.1S519H517-S519 PolarHBondContact O-N 2.98Å
518D35.8Very low32.2Very low167 Ų167131.3 Ų131.389%0.89380%0.795SS**  trans-61.8101.1165.1-103.9-29.6000108.5
519S36.4Very low31.8Very low108 Ų108130.1 Ų130.176%0.75579%0.789SS**  trans-102.6124.3166.8-67.80000108.9H517H517-S519 PolarHBondContact O-N 2.98Å
520A32.1Very low32Very low90 Ų90129 Ų12974%0.74479%0.794SS**  trans-48133-176.500000114.3G522A520-G522 PolarHBondContact O-N 3.14Å; A520-G522 VanDerWaalsContact O-N 3.11Å
521L33.8Very low31.8Very low177 Ų177126.7 Ų126.793%0.92779%0.789SS**  trans37.664.9137.6-70.2160.5000115.5G523L521-G523 PolarHBondContact O-N 2.87Å
522G29.6Very low31.7Very low79 Ų79127.4 Ų127.481%0.81479%0.794SS**  trans-77.2100158.700000109.7A520A520-G522 PolarHBondContact O-N 3.14Å; A520-G522 VanDerWaalsContact O-N 3.11Å
523G27.9Very low31.8Very low80 Ų80128 Ų12883%0.82580%0.796SS**  trans-67.514916100000110.9L521L521-G523 PolarHBondContact O-N 2.87Å
524G25.9Very low31.7Very low74 Ų74130.5 Ų130.576%0.76379%0.791SS**  trans131.897.6164.700000113.2
525K33.3Very low31.6Very low177 Ų177127.6 Ų127.677%0.7778%0.783SS**  trans-150.8112.9157.8-90.2-162.4172.9-175.50110.1
526F32.5Very low31.4Very low158 Ų158129.3 Ų129.369%0.69378%0.783SS**  trans67.3141.7138.9-56.6-57.7000117.1
527Q26.8Very low30.8Very low158 Ų158129.8 Ų129.874%0.73879%0.786SS**  cis-173.3162.4-0.9-135.1164.2-27.200105.4
528S27.7Very low30.7Very low84 Ų84127 Ų12759%0.58778%0.783SS**  trans81113.4146.3-62.70000120.4
529D28.5Very low30.3Very low149 Ų149126.3 Ų126.380%0.79778%0.78SS**  73.395.4126.1-55.9-28.5000119.2
530S35.4Very low30Very low130 Ų130127.1 Ų127.191%0.90978%0.78SS**  179.6128.7122.440.20000111.2
531G29.7Very low29.9Very low73 Ų73130.2 Ų130.275%0.75378%0.782SS**  trans129.699.1160.700000115.8
532P31.4Very low29.5Very low126 Ų126127.8 Ų127.882%0.81878%0.775SS**  trans-94.7110.117333.3-25.2000111.2
533L33.2Very low29.3Very low160 Ų160129.9 Ų129.984%0.83877%0.772SS**  trans-142.695.2162.2-81.3168.4000106.9
534K30.2Very low29.5Very low183 Ų183131.5 Ų131.580%0.79677%0.769SS**  64.5112.1104.5-88.2-169.3178.2-176.70113.6
535T27Very low29.6Very low115 Ų115132.8 Ų132.871%0.70677%0.766SS**  trans51.2122.2138.337.90000116.7
536D31.7Very low29.3Very low145 Ų145130.5 Ų130.578%0.77577%0.767SS**  cis-170.2147.944.8-91.3-38.7000109.7
537C23.9Very low29.1Very low115 Ų115128.9 Ų128.978%0.77777%0.77SS**  trans-73.9145.4165-61.30000110.3
538P32.7Very low29.4Very low118 Ų118128.4 Ų128.477%0.76677%0.773SS**  -138.8118110.827.2-9.6000112.3
539N27.1Very low29.2Very low154 Ų154130.7 Ų130.782%0.82479%0.787SS**  trans-76.4122.1159.6-75.4-34.3000108.5
540T28.7Very low29.3Very low124 Ų124132.1 Ų132.176%0.76179%0.791SS**  trans-12589.3163.4-47.50000110
541I30.7Very low29.1Very low155 Ų155134.5 Ų134.580%0.79579%0.785SS**  trans49.5101.2133.9-54.1172.8000116.9
542T26.6Very low29.3Very low126 Ų126138.2 Ų138.277%0.77379%0.788SS**  trans-80.1146.4159.2-35.20000110.5
543T25Very low29.3Very low123 Ų123138.8 Ų138.876%0.75578%0.782SS**  trans-38.4143.3173.149.60000118.2
544P31.6Very low29.4Very low115 Ų115137.8 Ų137.875%0.74778%0.778SS**  trans-109.1110.5147.630.9-18.6000109.7
545S28.4Very low29.6Very low101 Ų101138.4 Ų138.471%0.70678%0.783SS**  51.6101.889.176.20000115.5
546T25.9Very low29.8Very low129 Ų129141.2 Ų141.279%0.79179%0.793SS**  trans-12.2126.6145.253.50000116.9
547T29.5Very low29.8Very low124 Ų124141.5 Ų141.576%0.76180%0.795SS**  -178.2151.3129.55.10000112.9
548N32.4Very low30.2Very low148 Ų148146.8 Ų146.879%0.79180%0.8SS**  trans100.596.6153.4-59.7-22.7000119.4
549C23.2Very low30.1Very low131 Ų131149.8 Ų149.889%0.88581%0.806SS**  trans-43.5124.7147.4-57.30000112.3
550M31.6Very low30.2Very low180 Ų180152.4 Ų152.489%0.88781%0.81SS**  trans-100.8112.6156.5-111159.67200108.7N552M550-N552 PolarHBondContact O-N 2.93Å
551K31.4Very low30.3Very low179 Ų179151.4 Ų151.478%0.77881%0.808SS**  trans-60.6122.9163.7-73170.7173.8174.80108.1
552N33.5Very low30.5Very low152 Ų152149.4 Ų149.481%0.81381%0.805SS**  trans-122.393153.4-113.8-28.1000107.1M550M550-N552 PolarHBondContact O-N 2.93Å
553I32.2Very low30.8Very low137 Ų137150.6 Ų150.670%0.70381%0.807SS**  trans-82.899.7163.7-67.9160.7000103.3
554D33.6Very low31.1Very low139 Ų139154 Ų15474%0.74382%0.816SS**  trans177.482.4160.6-88.3-24.9000108.9
555Q34.8Very low31.2Very low196 Ų196153.5 Ų153.592%0.91682%0.816SS**  trans-174.924154.6-106.1170.547.800114.8N557Q555-N557 VanDerWaalsContact C-N 3.34Å; Q555-N557 PolarHBondContact O-N 3Å
556L30.9Very low31.4Very low174 Ų174155.1 Ų155.191%0.91182%0.822SS**  trans-97.830177.6-116.2149.3000113.3
557N32.7Very low31.5Very low151 Ų151155.1 Ų155.181%0.80783%0.825SS**  trans-119.244.7179.3-83.3-22000112.5Q555Q555-N557 VanDerWaalsContact C-N 3.34Å; Q555-N557 PolarHBondContact O-N 3Å
558Y31.3Very low31.5Very low227 Ų227156.9 Ų156.989%0.8983%0.828SS**  trans-151.347.2173.6-100.4-76.2000114.2
559M30.8Very low31.4Very low181 Ų181156.5 Ų156.589%0.89283%0.826SS**  trans-146.862.8157.3-68.9-16184.700110.4S561M559-S561 PolarHBondContact O-N 2.83Å
560K30.2Very low31.6Very low209 Ų209156.1 Ų156.191%0.90982%0.816SS**  trans-86.893.4162.1-130.8176.8-175.6178.80106.2P562K560-P562 VanDerWaalsContact O-CD 3.25Å; K560-P562 WeakPolarHBondContact O-CD 3.35Å
561S30.5Very low31.8Very low102 Ų102155.4 Ų155.471%0.71382%0.815SS**  trans-66.2117.2172.6-77.20000109.7M559 D563M559-S561 PolarHBondContact O-N 2.83Å; S561-D563 PolarHBondContact O-N 2.87Å
562P34.5Very low31.8Very low113 Ų113154.2 Ų154.273%0.73482%0.818SS**  trans-9579.5174.233.2-20.7000108.6K560K560-P562 VanDerWaalsContact O-CD 3.25Å; K560-P562 WeakPolarHBondContact O-CD 3.35Å
563D33.6Very low31.9Very low152 Ų152157.6 Ų157.681%0.81382%0.819SS**  trans-152.134.2173-90.8-32.6000112.3S561S561-D563 PolarHBondContact O-N 2.87Å
564M30.5Very low32.1Very low193 Ų193159.8 Ų159.895%0.95183%0.826SS**  trans-115.735.6174.7-93.2-79.2-13900111.8
565S33.5Very low32.3Very low105 Ų105160.3 Ų160.373%0.73483%0.828SS**  trans-129.753.6177.965.80000112.6
566T32.5Very low32.4Very low136 Ų136156 Ų15683%0.83481%0.811SS**  trans-139.954.2161.847.60000110.4
567C28.8Very low33.1Very low128 Ų128152.9 Ų152.987%0.86580%0.801SS**  trans-127.149.5163-70.80000109.2
568I29.8Very low33.7Very low161 Ų161154.3 Ų154.383%0.82680%0.8SS**  trans-138.585.8170-52.4-179.9000107.8
569N28.8Very low34.3Very low140 Ų140149.9 Ų149.975%0.74979%0.792SS**  trans-159.7103.3143.2-143.1-12.8000111.8
570N28.5Very low34.7Very low124 Ų124148.9 Ų148.966%0.66379%0.789SS**  trans24.6110.4140.4-59.4-36.1000118.2
571N34.8Very low35.1Very low164 Ų164148.4 Ų148.488%0.87778%0.783SS**  trans-141.8114.4132.8-93-45.7000109.9R573N571-R573 PolarHBondContact O-N 2.79Å
572N32.7Very low35.5Very low155 Ų155149 Ų14983%0.82978%0.784SS**  trans-40.3100.1173.2-63.2-45.7000112.6
573R35.1Very low35.7Very low223 Ų223150.8 Ų150.884%0.84279%0.786SS**  trans-128.197.9149.2-72.7-168.3-177.5-135.50.3106.7N571 L575N571-R573 PolarHBondContact O-N 2.79Å; R573-L575 VanDerWaalsContact C-N 3.26Å; R573-L575 PolarHBondContact O-N 2.98Å
574H36.2Very low35.9Very low183 Ų183148.3 Ų148.385%0.84778%0.779SS**  trans-48.692.9165.6-174.817.1000108.4
575L38.5Very low36.5Very low150 Ų150144.6 Ų144.679%0.78577%0.769SS**  trans-88.9115169.9-76.5162.2000105.8R573R573-L575 VanDerWaalsContact C-N 3.26Å; R573-L575 PolarHBondContact O-N 2.98Å
576D37.4Very low36.6Very low105 Ų105147.1 Ų147.156%0.56177%0.774SS**  trans-59.1129.8-179.8-164.2-7.7000109.6K578D576-K578 PolarHBondContact O-N 2.89Å
577P44.5Very low36.8Very low109 Ų109146.3 Ų146.371%0.70877%0.772SS**THydrogen-bonded Turntrans-65.84.8-171.8-21.533.1000116.2
578K45.6Very low37.4Very low181 Ų181146.2 Ų146.279%0.78777%0.767SS**THydrogen-bonded Turntrans-87-11-179.8-73.8-171.7177.71790115.1D576D576-K578 PolarHBondContact O-N 2.89Å
579D43.7Very low37.8Very low133 Ų133143.1 Ų143.171%0.71176%0.757SS**  trans-954.2179.9-74.2-25.7000114.2Y581D579-Y581 VanDerWaalsContact C-N 3.29Å; D579-Y581 PolarHBondContact O-N 2.9Å
580L40.1Very low38.4Very low160 Ų160141.3 Ų141.384%0.83875%0.754SS**  trans-80.978.1172.4-11672.9000110.3P582L580-P582 WeakPolarHBondContact O-CD 3.27Å
581Y37.9Very low38.9Very low199 Ų199141.7 Ų141.778%0.7877%0.766SS**  trans-63.1123.1162-81.4-89.6000108.6D579 I583D579-Y581 VanDerWaalsContact C-N 3.29Å; D579-Y581 PolarHBondContact O-N 2.9Å; Y581-I583 PolarHBondContact O-N 2.85Å
582P39.1Very low38.8Very low114 Ų114135.9 Ų135.974%0.7475%0.745SS**  trans-63.8114179.723.2-30.3000108.7L580 P584L580-P582 WeakPolarHBondContact O-CD 3.27Å; P582-P584 WeakPolarHBondContact O-CD 3.39Å; P582-P584 VanDerWaalsContact O-N 3.15Å
583I38.2Very low38.8Very low151 Ų151136.3 Ų136.377%0.77475%0.747SS**  trans-62.9113.7168.1-61.9173.2000105.7Y581Y581-I583 PolarHBondContact O-N 2.85Å
584P37.9Very low38.9Very low100 Ų100134.4 Ų134.465%0.64974%0.741SS**  trans-60.7139.5178.224.3-31.6000108.6P582 L586P582-P584 WeakPolarHBondContact O-CD 3.39Å; P582-P584 VanDerWaalsContact O-N 3.15Å; P584-L586 PolarHBondContact O-N 3.24Å; P584-L586 VanDerWaalsContact O-N 3.09Å
585P42.3Very low38.8Very low116 Ų116130.2 Ų130.275%0.75373%0.732SS**  trans-55.6122.8-177.721.9-31.5000108.7C587P585-C587 VanDerWaalsContact C-N 3.29Å; P585-C587 PolarHBondContact O-N 2.79Å
586L36.9Very low38.7Very low158 Ų158129.5 Ų129.583%0.82774%0.738SS**  trans-55.7100.7165.4-86.3139000106.2P584 V588P584-L586 PolarHBondContact O-N 3.24Å; P584-L586 VanDerWaalsContact O-N 3.09Å; L586-V588 PolarHBondContact O-N 2.94Å
587C36.3Very low38.7Very low119 Ų119128.5 Ų128.580%0.80474%0.739SS**  trans-57.596168.7-81.80000107P585 P589P585-C587 VanDerWaalsContact C-N 3.29Å; P585-C587 PolarHBondContact O-N 2.79Å; C587-P589 VanDerWaalsContact O-CD 3.3Å; C587-P589 WeakPolarHBondContact O-CD 3.29Å
588V40.8Very low38.5Very low126 Ų126131.4 Ų131.476%0.76474%0.743SS**PPolyproline II helixtrans-62.4116.2164.5-176.20000104.7L586L586-V588 PolarHBondContact O-N 2.94Å
589P39.6Very low38.2Very low95 Ų95129 Ų12962%0.61774%0.744SS**PPolyproline II helixtrans-58.8137.8177.323.6-31.1000108.2C587 S591C587-P589 VanDerWaalsContact O-CD 3.3Å; C587-P589 WeakPolarHBondContact O-CD 3.29Å; P589-S591 PolarHBondContact O-N 2.91Å
590P39.9Very low37.8Very low103 Ų103127.7 Ų127.767%0.66974%0.742SS**PPolyproline II helixtrans-54.7134.9-17719.4-29.7000109.4G592P590-G592 PolarHBondContact O-N 3.19Å
591S39.5Very low37.8Very low131 Ų131126 Ų12692%0.91674%0.741SS**  trans-65.162.9171.8550000110.2P589P589-S591 PolarHBondContact O-N 2.91Å
592G32.2Very low37.7Very low43 Ų43122.3 Ų122.344%0.44374%0.739SS.*  trans-92.5127.6165.100000107.3P590 Y594P590-G592 PolarHBondContact O-N 3.19Å; G592-Y594 WeakPolarHBondContact O-CD2 3.36Å; G592-Y594 PolarHBondContact O-N 3.37Å
593N32.7Very low37.6Very low163 Ų163122.5 Ų122.587%0.87274%0.74SS**  trans-51.291.2166.5-82.4-16.2000109.3C595N593-C595 PolarHBondContact O-N 2.95Å
594Y38.1Very low37.8Very low183 Ų183121.6 Ų121.672%0.71874%0.741SS**  trans-70.793.6163.3-71.7-79.3000105.4G592 C596G592-Y594 WeakPolarHBondContact O-CD2 3.36Å; G592-Y594 PolarHBondContact O-N 3.37Å; Y594-C596 VanDerWaalsContact C-N 3.33Å; Y594-C596 PolarHBondContact O-N 3.08Å
595C33.6Very low37.8Very low96 Ų96128.1 Ų128.165%0.64975%0.753SS**  trans-49.6105.8161-71.60000106.8N593 S597N593-C595 PolarHBondContact O-N 2.95Å; C595-S597 PolarHBondContact O-N 3.31Å
596C35.7Very low37.4Very low135 Ų135133.4 Ų133.491%0.91276%0.758SS**SBendtrans-67.767.5171.9-71.30000109Y594Y594-C596 VanDerWaalsContact C-N 3.33Å; Y594-C596 PolarHBondContact O-N 3.08Å
597S38.3Very low37.5Very low84 Ų84131.1 Ų131.159%0.58775%0.753SS**  trans-132.443.3174.667.20000110.1C595C595-S597 PolarHBondContact O-N 3.31Å
598H39.7Very low37.5Very low170 Ų170137.4 Ų137.479%0.78776%0.76SS**  trans-123.670.2168.7-65-38.4000108.8P600H598-P600 WeakPolarHBondContact O-CD 3.35Å
599T39Very low37.3Very low131 Ų131138.9 Ų138.980%0.80476%0.762SS**PPolyproline II helixtrans-54.7118.9151-33.70000105.8
600P35.5Very low36.9Very low104 Ų104137.1 Ų137.168%0.67576%0.761SS**PPolyproline II helixtrans-56.6137.6-178.220.9-31.1000108.9H598 T602H598-P600 WeakPolarHBondContact O-CD 3.35Å; P600-T602 PolarHBondContact O-N 3.3Å
601P41Very low36.7Very low125 Ų125139.4 Ų139.481%0.81277%0.768SS**PPolyproline II helixtrans-55.7116.5-17819.2-29.5000108.9
602T36.5Very low36.4Very low122 Ų122140.7 Ų140.775%0.74876%0.764SS**PPolyproline II helixtrans-51130.1171.119.40000108.3P600 V604P600-T602 PolarHBondContact O-N 3.3Å; T602-V604 PolarHBondContact O-N 3.11Å
603P36.9Very low36.3Very low118 Ų118144 Ų14477%0.76678%0.781SS**  trans-54.8113.6-178.918.8-29.4000108.7R605P603-R605 VanDerWaalsContact C-N 3.35Å; P603-R605 PolarHBondContact O-N 3.2Å
604V41.2Very low36.3Very low131 Ų131144.3 Ų144.379%0.79478%0.777SS**  trans-56.3104.2172.4177.30000105.6T602 R606T602-V604 PolarHBondContact O-N 3.11Å; V604-R606 VanDerWaalsContact C-N 3.3Å; V604-R606 PolarHBondContact O-N 3.02Å
605R37.4Very low36.1Very low237 Ų237144.4 Ų144.489%0.89478%0.784SS**  trans-60.2103.2167.1-75.1-175178.5179.60.1104.8P603 P607P603-R605 VanDerWaalsContact C-N 3.35Å; P603-R605 PolarHBondContact O-N 3.2Å; R605-P607 WeakPolarHBondContact O-CD 3.34Å; R605-P607 VanDerWaalsContact O-N 3.1Å
606R34.1Very low35.9Very low228 Ų228147.5 Ų147.586%0.8679%0.793SS**  trans-48.2122.4165.9-77.2-175.8177.4175.6-1.6105.9V604 W608V604-R606 VanDerWaalsContact C-N 3.3Å; V604-R606 PolarHBondContact O-N 3.02Å; R606-W608 PolarHBondContact O-N 3.25Å; R606-W608 VanDerWaalsContact O-N 3.12Å
607P40Very low35.8Very low110 Ų110144.8 Ų144.871%0.71478%0.78SS**  trans-50.3126.5169.2-20.731.1000105.9R605 L609R605-P607 WeakPolarHBondContact O-CD 3.34Å; R605-P607 VanDerWaalsContact O-N 3.1Å; P607-L609 PolarHBondContact O-N 3.1Å
608W35.9Very low35.3Very low251 Ų251147.7 Ų147.795%0.95179%0.794SS**  trans-48.8115.2159.8-125.140.3000104.3R606 G610R606-W608 PolarHBondContact O-N 3.25Å; R606-W608 VanDerWaalsContact O-N 3.12Å; W608-G610 PolarHBondContact O-N 2.89Å
609L35.5Very low34.8Very low156 Ų156142.7 Ų142.782%0.81779%0.789SS**  trans-50.9105.6168.1-99.776.2000104.1P607 D611P607-L609 PolarHBondContact O-N 3.1Å; L609-D611 PolarHBondContact O-N 2.89Å
610G31.2Very low34.1Very low58 Ų58147.8 Ų147.860%0.59879%0.793SS**  trans-61.8111167.600000104.2W608 N612W608-G610 PolarHBondContact O-N 2.89Å; G610-N612 PolarHBondContact O-N 3.42Å; G610-N612 VanDerWaalsContact O-N 3.11Å
611D36.6Very low33.7Very low152 Ų152148.6 Ų148.681%0.81380%0.802SS**  trans-51.8122.3170.3-78.5-39.1000107.8L609 S613L609-D611 PolarHBondContact O-N 2.89Å; D611-S613 PolarHBondContact O-N 2.83Å; D611-S613 VanDerWaalsContact O-N 3.07Å
612N32.8Very low33.3Very low157 Ų157153.9 Ų153.984%0.8481%0.805SS**  trans-52.5110.7-171.9-59.6-58000110.4G610 E614G610-N612 PolarHBondContact O-N 3.42Å; G610-N612 VanDerWaalsContact O-N 3.11Å; N612-E614 VanDerWaalsContact C-N 3.27Å; N612-E614 PolarHBondContact O-N 3.29Å
613S30.4Very low33.2Very low114 Ų114153.2 Ų153.280%0.79781%0.806SS**  trans-85.773.5165.530.70000107.5D611D611-S613 PolarHBondContact O-N 2.83Å; D611-S613 VanDerWaalsContact O-N 3.07Å
614E33.7Very low32.9Very low169 Ų169151.4 Ų151.479%0.7981%0.809SS**  trans-173.568.7166.6-107.3168-129.500110.6N612N612-E614 VanDerWaalsContact C-N 3.27Å; N612-E614 PolarHBondContact O-N 3.29Å
615Q32.2Very low32.4Very low185 Ų185148.4 Ų148.486%0.86481%0.805SS**  trans-130.389148.1-79.9-166.81.700108.2A617Q615-A617 PolarHBondContact O-N 3.05Å
616I30.3Very low32.4Very low160 Ų160145.9 Ų145.982%0.82180%0.803SS**  trans-66.377.8159.4-56.8167.9000105.8
617A33.1Very low32.5Very low78 Ų78144.7 Ų144.765%0.64580%0.804SS**  trans-103.991.4166.900000106.7Q615 G619Q615-A617 PolarHBondContact O-N 3.05Å; A617-G619 VanDerWaalsContact C-N 3.34Å; A617-G619 PolarHBondContact O-N 2.92Å
618T28.6Very low32.3Very low145 Ų145150.4 Ų150.489%0.8981%0.811SS**  trans-45.996.3162.3350000109.9
619G28.5Very low32.4Very low66 Ų66142.5 Ų142.568%0.6879%0.794SS**  trans-145.683-174.500000111A617A617-G619 VanDerWaalsContact C-N 3.34Å; A617-G619 PolarHBondContact O-N 2.92Å
620R25.5Very low32.4Very low237 Ų237140.9 Ų140.989%0.89479%0.791SS**  trans31.2114.2148.6-97.8176.2167.8-164.8-3.4118.4R622R620-R622 PolarHBondContact O-N 3.04Å
621S27.5Very low32.7Very low121 Ų121147.7 Ų147.785%0.84680%0.8SS**  trans13.998.9140.4-67.20000117
622R32.4Very low32.6Very low236 Ų236146.4 Ų146.489%0.89180%0.797SS**  trans-133105.8145.6-73.6-168.8171.8-160.4-2.7108.9R620R620-R622 PolarHBondContact O-N 3.04Å
623S34.5Very low32.7Very low108 Ų108144.5 Ų144.576%0.75579%0.787SS**  trans31.7111.3149.959.50000116.2G625S623-G625 VanDerWaalsContact C-N 3.3Å; S623-G625 PolarHBondContact O-N 2.84Å
624G30Very low32.9Very low81 Ų81143.2 Ų143.284%0.83578%0.783SS**  trans-51.294.4165.100000110.9Q626G624-Q626 VanDerWaalsContact C-N 3.3Å; G624-Q626 PolarHBondContact O-N 2.85Å
625G30.4Very low33.2Very low68 Ų68139 Ų13970%0.70177%0.773SS**  trans-67.196.5166.100000106.7S623 K627S623-G625 VanDerWaalsContact C-N 3.3Å; S623-G625 PolarHBondContact O-N 2.84Å; G625-K627 PolarHBondContact O-N 3.49Å
626Q36.5Very low33.6Very low184 Ų184137 Ų13786%0.8677%0.766SS**  trans-50.4108.9169.4-75.2-170.8-18.900107.9G624 R628G624-Q626 VanDerWaalsContact C-N 3.3Å; G624-Q626 PolarHBondContact O-N 2.85Å; Q626-R628 VanDerWaalsContact C-N 3.33Å; Q626-R628 PolarHBondContact O-N 2.82Å
627K36.9Very low33.7Very low203 Ų203139 Ų13988%0.88377%0.765SS**  trans-61.6103.6165.3-70.8-177.7178.8178.30105.5G625 S629G625-K627 PolarHBondContact O-N 3.49Å; K627-S629 VanDerWaalsContact C-N 3.27Å; K627-S629 PolarHBondContact O-N 2.77Å
628R35.7Very low33.9Very low229 Ų229140.7 Ų140.786%0.86477%0.769SS**  trans-58.496169.2-72.8-179.1176.2-168.7-1.7107Q626 V630Q626-R628 VanDerWaalsContact C-N 3.33Å; Q626-R628 PolarHBondContact O-N 2.82Å; R628-V630 VanDerWaalsContact C-N 3.32Å; R628-V630 PolarHBondContact O-N 2.86Å
629S37.5Very low34.3Very low85 Ų85141 Ų14159%0.59476%0.764SS**  trans-63.7101.6160.648.50000105.8K627 Y631K627-S629 VanDerWaalsContact C-N 3.27Å; K627-S629 PolarHBondContact O-N 2.77Å; S629-Y631 PolarHBondContact O-N 3.01Å; S629-Y631 WeakPolarHBondContact OG-CE2 3.25Å
630V36.4Very low34.7Very low123 Ų123143.3 Ų143.375%0.74577%0.767SS**  trans-67.388.8167.9-178.50000105.7R628 V632R628-V630 VanDerWaalsContact C-N 3.32Å; R628-V630 PolarHBondContact O-N 2.86Å; V630-V632 VanDerWaalsContact C-N 3.29Å; V630-V632 HydrophobicContact CG1-CG2 4.23Å; V630-V632 PolarHBondContact O-N 2.85Å
631Y37.5Very low35.3Very low201 Ų201140.1 Ų140.179%0.78876%0.762SS**  trans-63.9101.1160.2-81.7-88.9000105.5S629 N633S629-Y631 PolarHBondContact O-N 3.01Å; S629-Y631 WeakPolarHBondContact OG-CE2 3.25Å; Y631-N633 PolarHBondContact O-N 2.94Å
632V34.6Very low35.6Very low125 Ų125142.4 Ų142.476%0.75876%0.762SS**  trans-63.1106.9166.5176.90000105.3V630 A634V630-V632 VanDerWaalsContact C-N 3.29Å; V630-V632 HydrophobicContact CG1-CG2 4.23Å; V630-V632 PolarHBondContact O-N 2.85Å; V632-A634 PolarHBondContact O-N 2.92Å
633N34.4Very low35.9Very low116 Ų116137.3 Ų137.362%0.6275%0.751SS**  trans-61.798.2-178.1-159.52.6000108Y631 S635Y631-N633 PolarHBondContact O-N 2.94Å; N633-S635 PolarHBondContact ND2-OG 3.31Å; N633-S635 VanDerWaalsContact ND2-OG 3.15Å; N633-S635 PolarHBondContact O-N 2.89Å; N633-S635 PolarHBondContact OD1-OG 3.09Å
634A34.7Very low35.8Very low88 Ų88142 Ų14273%0.72775%0.752SS**G310 helixtrans-69.94.9178.400000112.8V632 I636V632-A634 PolarHBondContact O-N 2.92Å; A634-I636 PolarHBondContact O-N 2.75Å
635S39.1Very low35.9Very low81 Ų81144.1 Ų144.157%0.56674%0.744SS**G310 helixtrans-74.63.1178.456.20000114.9N633 Y637N633-S635 PolarHBondContact ND2-OG 3.31Å; N633-S635 VanDerWaalsContact ND2-OG 3.15Å; N633-S635 PolarHBondContact O-N 2.89Å; N633-S635 PolarHBondContact OD1-OG 3.09Å; S635-Y637 VanDerWaalsContact C-N 3.34Å
636I42.2Very low36.2Very low142 Ų142147.3 Ų147.373%0.72875%0.745SS**G310 helixtrans-84.1-9176.4-58.2178.6000112.6A634 P638A634-I636 PolarHBondContact O-N 2.75Å; I636-P638 WeakPolarHBondContact O-CD 3.23Å
637Y31.8Very low36.1Very low202 Ų202146 Ų14679%0.79274%0.744SS**SBendtrans-99.7107.4163.5-76.8-82.1000108.8S635 I639S635-Y637 VanDerWaalsContact C-N 3.34Å; Y637-I639 PolarHBondContact O-N 2.97Å
638P36.9Very low35.8Very low114 Ų114141.9 Ų141.974%0.7474%0.741SS**  trans-59.6110.2168.323.9-29.9000106.9I636 P640I636-P638 WeakPolarHBondContact O-CD 3.23Å; P638-P640 VanDerWaalsContact O-CD 3.29Å; P638-P640 WeakPolarHBondContact O-CD 3.08Å
639I36.4Very low35.6Very low151 Ų151138.5 Ų138.577%0.77474%0.74SS**  trans-55.2120.9158.2-65.4162.3000103.8Y637 E641Y637-I639 PolarHBondContact O-N 2.97Å; I639-E641 VanDerWaalsContact C-N 3.31Å; I639-E641 PolarHBondContact O-N 2.85Å
640P37.8Very low35.2Very low115 Ų115138.2 Ų138.275%0.74775%0.75SS**  trans-58.4103.8173.7-19.131.1000106.5P638 M642P638-P640 VanDerWaalsContact O-CD 3.29Å; P638-P640 WeakPolarHBondContact O-CD 3.08Å; P640-M642 PolarHBondContact O-N 2.89Å
641E38.8Very low34.9Very low170 Ų170139.2 Ų139.279%0.79475%0.752SS**  trans-56.9103.3162-90.4-177149.300104.4I639 I643I639-E641 VanDerWaalsContact C-N 3.31Å; I639-E641 PolarHBondContact O-N 2.85Å; E641-I643 HydrophobicContact CB-CG1 4.49Å; E641-I643 PolarHBondContact O-N 3.27Å
642M33.6Very low34.4Very low168 Ų168137.7 Ų137.783%0.82876%0.757SS**  trans-60.588.2156.7-87.6175.144.200105.1P640 R644P640-M642 PolarHBondContact O-N 2.89Å; M642-R644 PolarHBondContact O-N 2.9Å
643I37.3Very low34.2Very low129 Ų129140.9 Ų140.966%0.66276%0.761SS**  trans-57100.6161.6-58.1174.5000103.3E641 N645E641-I643 HydrophobicContact CB-CG1 4.49Å; E641-I643 PolarHBondContact O-N 3.27Å; I643-N645 WeakPolarHBondContact CG2-OD1 3.29Å; I643-N645 PolarHBondContact O-N 3.32Å
644R33.6Very low33.9Very low207 Ų207140.5 Ų140.578%0.78177%0.767SS**  trans-60.391.8161.9-76.2-178.7-74.7-130.4-3.2104.2M642 N646M642-R644 PolarHBondContact O-N 2.9Å; R644-N646 PolarHBondContact O-N 2.95Å
645N32.5Very low33.6Very low125 Ų125140 Ų14067%0.66877%0.771SS**  trans-61.992.7160-67.1-21.9000104I643 D647I643-N645 WeakPolarHBondContact CG2-OD1 3.29Å; I643-N645 PolarHBondContact O-N 3.32Å; N645-D647 VanDerWaalsContact C-N 3.31Å; N645-D647 PolarHBondContact O-N 2.85Å
646N35.8Very low33Very low135 Ų135146.4 Ų146.472%0.72278%0.784SS**  trans-62.2108.4160.6-74.3-21.9000103.9R644 S648R644-N646 PolarHBondContact O-N 2.95Å; N646-S648 VanDerWaalsContact C-N 3.3Å; N646-S648 PolarHBondContact O-N 2.85Å
647D35.3Very low32.4Very low157 Ų157145 Ų14584%0.8478%0.782SS**  trans-55.799173.8-68.9-42.7000108.1N645 N649N645-D647 VanDerWaalsContact C-N 3.31Å; N645-D647 PolarHBondContact O-N 2.85Å; D647-N649 PolarHBondContact O-N 3.26Å
648S30.5Very low32.3Very low117 Ų117145.6 Ų145.682%0.81878%0.783SS**  trans-66.383.3163.6-690000108N646N646-S648 VanDerWaalsContact C-N 3.3Å; N646-S648 PolarHBondContact O-N 2.85Å
649N31Very low31.9Very low157 Ų157147.4 Ų147.484%0.8479%0.786SS**  trans-164.656.9151.1-130.821.3000112.4D647D647-N649 PolarHBondContact O-N 3.26Å
650G29.2Very low31.6Very low79 Ų79151.9 Ų151.981%0.81479%0.793SS**  trans-106.885.3169.800000110.3
651N29.1Very low31.3Very low145 Ų145155 Ų15578%0.77580%0.798SS**  trans13.4112.3162.9-75.7-24000118.5F653N651-F653 PolarHBondContact O-N 3.36Å
652N28.5Very low30.9Very low168 Ų168153.9 Ų153.990%0.89880%0.798SS**  trans-52.3102.5155.2-65.3-53.3000110.3
653F30.1Very low30.6Very low193 Ų193150.1 Ų150.185%0.84679%0.787SS**  trans-133.2100.3157.3-108.4-86000109.5N651N651-F653 PolarHBondContact O-N 3.36Å
654S27.9Very low30.4Very low107 Ų107150.3 Ų150.375%0.74880%0.795SS**  trans34.4104.4143.6-157.70000117.4
655G29.1Very low30.4Very low78 Ų78147 Ų14780%0.80479%0.793SS**  trans-153.864.4167.100000110.1
656Y25.6Very low30.4Very low216 Ų216148.5 Ų148.585%0.84780%0.799SS**  trans-50.4140.9159.1-81-95.7000109.3
657V29.4Very low30Very low112 Ų112147.4 Ų147.468%0.67980%0.797SS**  trans169.8111.8131.3158.40000111.2
658R29.6Very low29.9Very low215 Ų215146.7 Ų146.781%0.81179%0.792SS**  trans63.7103.2144.1-69.8-173.2-78.7-137.9-3.6120.9
659D27.9Very low29.7Very low152 Ų152146.5 Ų146.581%0.81379%0.786SS**  10.4118.1115.3-51-39.8000116.7
660R31.1Very low29.9Very low244 Ų244143.7 Ų143.792%0.92178%0.779SS**  trans-145.290.1145.2-158.1163.5-178.3147.8-1.5109.7
661E31.4Very low30Very low181 Ų181145.8 Ų145.885%0.84678%0.776SS**  trans-62.4136.5158.6-59.6-175.7149.800109.7
662N30.7Very low29.8Very low147 Ų147144.1 Ų144.179%0.78678%0.775SS**  trans-158.287.5157.2-146.645.3000105.6
663S27Very low30.1Very low88 Ų88142 Ų14262%0.61577%0.774SS**  43.5104.289.8-173.10000113.3
664T34Very low29.9Very low134 Ų134140 Ų14082%0.82277%0.772SS**  -168.7124116.23.30000110.9
665D31.8Very low30.3Very low138 Ų138139.7 Ų139.774%0.73877%0.767SS**  trans-61.1140.1172.3-62.6-64.6000112.8V667D665-V667 HydrophobicContact CB-CG2 4.46Å
666I32.7Very low30.2Very low156 Ų156142 Ų14280%0.877%0.766SS**  trans-119.793.7149.5-60.3179.5000107I668I666-I668 HydrophobicContact CG2-CD1 4.25Å; I666-I668 HydrophobicContact CG2-CG1 4.03Å
667V29Very low30.4Very low111 Ų111139.7 Ų139.767%0.67377%0.768SS**  trans-80.7114.1161.3172.80000106.9D665D665-V667 HydrophobicContact CB-CG2 4.46Å
668I32.8Very low30.3Very low143 Ų143138.3 Ų138.373%0.73377%0.768SS**  trans-119.9108.5155.9-62.4178.3000107.9I666I666-I668 HydrophobicContact CG2-CD1 4.25Å; I666-I668 HydrophobicContact CG2-CG1 4.03Å
669T26.8Very low30.3Very low113 Ų113133.6 Ų133.669%0.69377%0.768SS**  trans-62.8130.1167.7-480000110.5
670S34Very low30.2Very low98 Ų98132 Ų13269%0.68576%0.764SS**  trans-150.689.3159.3-58.70000110.3
671T30.7Very low30.2Very low123 Ų123126.1 Ų126.176%0.75576%0.755SS**  trans41.798.8134.246.70000119.8
672S26.7Very low30.3Very low110 Ų110126.3 Ų126.377%0.76976%0.756SS**  trans-5128.4132.558.70000119.6
673S33.4Very low30.1Very low123 Ų123125.6 Ų125.686%0.8676%0.757SS**  trans-136.8116.5131.560.40000108.8
674N27.3Very low30.3Very low151 Ų151128.2 Ų128.281%0.80776%0.762SS**  trans-91.2-175.2178.3-111.3-10.8000108.7
675P36.3Very low29.9Very low101 Ų101127 Ų12766%0.65676%0.755SS**  -132.1-168.4-70.928.4-4.2000111.8
676V26.7Very low29.8Very low127 Ų127127.1 Ų127.177%0.7776%0.761SS**  trans80.8105.1154.7-161.60000117.8
677N29.7Very low29.6Very low167 Ų167125.9 Ų125.989%0.89376%0.755SS**  -136.7133.1126.3-145.5-2.1000110.4
678A26.6Very low29.6Very low83 Ų83124.9 Ų124.969%0.68675%0.753SS**  trans-90.6140.3-173.600000110.6
679S28.9Very low29.4Very low116 Ų116124.3 Ų124.381%0.81175%0.751SS**  trans-157.6103.7148.3-1690000108.6
680T27.6Very low29.4Very low119 Ų119126.1 Ų126.173%0.7375%0.751SS**  trans-45146.9143.439.50000108.7
681T29.7Very low29.2Very low120 Ų120128.4 Ų128.474%0.73676%0.756SS**  176.6161.671.9-30.40000107.2
682E34Very low29.1Very low184 Ų184128.8 Ų128.886%0.8675%0.754SS**  trans97.194.3158.7-62.4-179.4-163.900119.5
683V27Very low29.2Very low132 Ų132130.4 Ų130.480%0.875%0.754SS**  trans-46.9148.3154.2-168.40000112.8
684I30.1Very low29Very low143 Ų143134.1 Ų134.173%0.73375%0.754SS**  trans142.594.2132.4-66.4173.3000111
685T25.4Very low29.1Very low109 Ų109132.9 Ų132.967%0.66975%0.752SS**  51.694.9124.8-240000118.2I687T685-I687 HydrophobicContact CG2-CG1 3.84Å
686T29.6Very low28.8Very low141 Ų141134.4 Ų134.487%0.86576%0.76SS**  trans-106.1107147.9-35.50000108.3S688T686-S688 PolarHBondContact O-N 2.82Å; T686-S688 VanDerWaalsContact O-N 3.1Å
687I29.4Very low29Very low129 Ų129133.8 Ų133.866%0.66276%0.758SS**  trans-65.3102.3176.3-59.4169.2000107.4T685 N689T685-I687 HydrophobicContact CG2-CG1 3.84Å; I687-N689 WeakPolarHBondContact CG2-OD1 3.48Å
688S28.9Very low28.8Very low90 Ų90130.8 Ų130.863%0.62975%0.75SS**  trans-93.397.2168-178.80000108.3T686 H690T686-S688 PolarHBondContact O-N 2.82Å; T686-S688 VanDerWaalsContact O-N 3.1Å; S688-H690 PolarHBondContact O-N 2.76Å
689N29Very low28.8Very low132 Ų132134.7 Ų134.771%0.70676%0.76SS**  trans-64101.9172.4-77.9-20.5000109.6I687 N691I687-N689 WeakPolarHBondContact CG2-OD1 3.48Å; N689-N691 PolarHBondContact O-N 3.06Å
690H26.4Very low28.8Very low150 Ų150135 Ų13569%0.69476%0.757SS**  trans-72.398.2165.6-78.6-79.2000109.4S688 N692S688-H690 PolarHBondContact O-N 2.76Å; H690-N692 PolarHBondContact O-N 2.88Å; H690-N692 VanDerWaalsContact O-N 3.11Å
691N29.1Very low28.7Very low147 Ų147134.7 Ų134.779%0.78676%0.76SS**  trans-76.693.1163.7-77.4-14.6000108.8N689 D693N689-N691 PolarHBondContact O-N 3.06Å; N691-D693 PolarHBondContact O-N 3.04Å
692N29.5Very low28.7Very low131 Ų131134.1 Ų134.170%0.70176%0.76SS**  trans-83.576.9170.2-72.5-39000109.8H690 K694H690-N692 PolarHBondContact O-N 2.88Å; H690-N692 VanDerWaalsContact O-N 3.11Å; N692-K694 VanDerWaalsContact C-N 3.27Å; N692-K694 PolarHBondContact O-N 2.73Å; N692-K694 VanDerWaalsContact O-N 3.08Å
693D29.4Very low28.5Very low144 Ų144131.3 Ų131.377%0.7776%0.756SS**  trans-82.881.4165.3-80.6-32.4000109.4N691 T695N691-D693 PolarHBondContact O-N 3.04Å; D693-T695 VanDerWaalsContact C-N 3.34Å; D693-T695 PolarHBondContact O-N 2.93Å
694K29.1Very low28.8Very low201 Ų201130.5 Ų130.587%0.87475%0.753SS**  trans-91.168.9174.7-137.8178.4-170.2-179.70108.5N692N692-K694 VanDerWaalsContact C-N 3.27Å; N692-K694 PolarHBondContact O-N 2.73Å; N692-K694 VanDerWaalsContact O-N 3.08Å
695T29.3Very low28.9Very low125 Ų125130.2 Ų130.277%0.76775%0.751SS**  trans-91.2102.7170.827.20000109.4D693 P697D693-T695 VanDerWaalsContact C-N 3.34Å; D693-T695 PolarHBondContact O-N 2.93Å; T695-P697 VanDerWaalsContact O-CD 3.29Å; T695-P697 WeakPolarHBondContact O-CD 3.27Å
696T30Very low29.3Very low133 Ų133129.6 Ų129.682%0.81675%0.749SS**PPolyproline II helixtrans-63.5118165.640.20000110.5
697P30.1Very low29.2Very low113 Ų113131.7 Ų131.773%0.73474%0.743SS**PPolyproline II helixtrans-87120.8166.30.819.6000108.7T695 N699T695-P697 VanDerWaalsContact O-CD 3.29Å; T695-P697 WeakPolarHBondContact O-CD 3.27Å; P697-N699 PolarHBondContact O-N 2.95Å
698S26.6Very low29.1Very low104 Ų104137.6 Ų137.673%0.72776%0.757SS**PPolyproline II helixtrans-58120.1166.739.10000110.5T700S698-T700 VanDerWaalsContact C-N 3.34Å; S698-T700 PolarHBondContact O-N 2.99Å
699N26.1Very low29.2Very low166 Ų166138.4 Ų138.489%0.88876%0.758SS**  trans-69.187.8172.2-74.4-35.2000109.9P697P697-N699 PolarHBondContact O-N 2.95Å
700T29.1Very low29.5Very low123 Ų123140.5 Ų140.576%0.75576%0.763SS**  trans-91.399155.434.90000107.3S698 S702S698-T700 VanDerWaalsContact C-N 3.34Å; S698-T700 PolarHBondContact O-N 2.99Å; T700-S702 VanDerWaalsContact C-N 3.32Å; T700-S702 PolarHBondContact O-N 3.36Å
701S25.1Very low29.9Very low112 Ų112139.2 Ų139.278%0.78376%0.761SS**  trans-65.387.817660.40000110.1
702S30Very low30.2Very low107 Ų107139.6 Ų139.675%0.74876%0.762SS**  trans-87.9102.1157.555.60000107.1T700 P704T700-S702 VanDerWaalsContact C-N 3.32Å; T700-S702 PolarHBondContact O-N 3.36Å; S702-P704 VanDerWaalsContact O-CD 3.23Å; S702-P704 WeakPolarHBondContact O-CD 3.44Å
703V29.1Very low30.5Very low126 Ų126138.8 Ų138.876%0.76476%0.764SS**  trans-64.9114.7172.9178.80000106.9I705V703-I705 PolarHBondContact O-N 3.18Å
704P34.4Very low30.6Very low114 Ų114140.6 Ų140.674%0.7476%0.761SS**  trans-70.7117.9-178.526.4-29.3000108.9S702S702-P704 VanDerWaalsContact O-CD 3.23Å; S702-P704 WeakPolarHBondContact O-CD 3.44Å
705I32.3Very low30.9Very low137 Ų137142.4 Ų142.470%0.70376%0.762SS**  trans-57.5124.2170.9-64.6169.9000107.6V703 Y707V703-I705 PolarHBondContact O-N 3.18Å; I705-Y707 WeakPolarHBondContact O-CD2 3.41Å; I705-Y707 PolarHBondContact O-N 3.07Å
706P32.5Very low31.2Very low96 Ų96142.1 Ų142.162%0.62376%0.761SS**  trans-68.7101.2-175.625.8-32000109.7W708P706-W708 VanDerWaalsContact O-CD1 3.26Å; P706-W708 PolarHBondContact O-N 2.96Å
707Y28.9Very low31.5Very low186 Ų186140.2 Ų140.273%0.72975%0.753SS**  trans-63.4118.3165.5-77.1-89.5000108.3I705 T709I705-Y707 WeakPolarHBondContact O-CD2 3.41Å; I705-Y707 PolarHBondContact O-N 3.07Å; Y707-T709 PolarHBondContact O-N 2.86Å
708W26.4Very low31.7Very low252 Ų252140.9 Ų140.996%0.95576%0.755SS**SBendtrans-7036.4176.9-7374.1000113.3P706P706-W708 VanDerWaalsContact O-CD1 3.26Å; P706-W708 PolarHBondContact O-N 2.96Å
709T30.3Very low32Very low107 Ų107139.9 Ų139.966%0.65674%0.744SS**  trans-119.448.5172.855.90000109.5Y707 L711Y707-T709 PolarHBondContact O-N 2.86Å; T709-L711 PolarHBondContact O-N 3.2Å
710H35.9Very low32.4Very low177 Ų177136.5 Ų136.582%0.81973%0.732SS**  trans-70.583.7152-75.4-74.6000107.2L712H710-L712 PolarHBondContact O-N 2.77Å; H710-L712 VanDerWaalsContact O-N 3.14Å
711L35.7Very low33.2Very low122 Ų122139.4 Ų139.464%0.63974%0.737SS**  trans-35.5118.2151.9-73.4158.6000107.4T709 Y714T709-L711 PolarHBondContact O-N 3.2Å; L711-Y714 HydrophobicContact CD1-CE2 4.39Å
712L33.9Very low33.9Very low156 Ų156141.1 Ų141.182%0.81774%0.737SS**  trans-39.4130.9169-80.2142000108.3H710 Y714H710-L712 PolarHBondContact O-N 2.77Å; H710-L712 VanDerWaalsContact O-N 3.14Å; L712-Y714 PolarHBondContact O-N 2.99Å
713P37Very low34.3Very low113 Ų113141 Ų14173%0.73473%0.727SS**  trans-48.4119.7-174.616.6-29.3000107.9R715P713-R715 PolarHBondContact O-N 2.74Å
714Y31.1Very low35Very low183 Ų183139.7 Ų139.772%0.71872%0.724SS**  trans-47.599.8169.5-74.4-91.4000106L711 L712 T716L711-Y714 HydrophobicContact CD1-CE2 4.39Å; L712-Y714 PolarHBondContact O-N 2.99Å; Y714-T716 PolarHBondContact O-N 3.24Å
715R34.3Very low35.1Very low238 Ų238137.3 Ų137.390%0.89872%0.72SS**  trans-60.894.9157.6-79.3-97-170.7-179.7-0.2102.2P713 S717P713-R715 PolarHBondContact O-N 2.74Å; R715-S717 PolarHBondContact O-N 2.85Å
716T35.5Very low35.4Very low119 Ų119140.8 Ų140.873%0.7372%0.724SS**  trans-57.292.5160.3410000104.2Y714 T718Y714-T716 PolarHBondContact O-N 3.24Å; T716-T718 PolarHBondContact O-N 2.79Å
717S36.6Very low35.8Very low93 Ų93143.7 Ų143.765%0.6573%0.734SS**  trans-59.797.8163.7177.50000103.5R715 V719R715-S717 PolarHBondContact O-N 2.85Å; S717-V719 PolarHBondContact O-N 2.99Å; S717-V719 VanDerWaalsContact OG-CG2 3.27Å; S717-V719 WeakPolarHBondContact OG-CG2 3.05Å
718T35.4Very low36.4Very low127 Ų127145.9 Ų145.978%0.77974%0.741SS**  trans-63.475.9161.445.70000105.8T716 P720T716-T718 PolarHBondContact O-N 2.79Å; T718-P720 WeakPolarHBondContact O-CD 3.49Å
719V32.5Very low37Very low83 Ų83142.5 Ų142.550%0.50373%0.733SS.*  trans-63.2120.3163-179.20000104.2S717 Q721 L723S717-V719 PolarHBondContact O-N 2.99Å; S717-V719 VanDerWaalsContact OG-CG2 3.27Å; S717-V719 WeakPolarHBondContact OG-CG2 3.05Å; V719-Q721 PolarHBondContact O-N 3Å; V719-L723 HydrophobicContact CG1-CD1 3.78Å
720P35.1Very low37.5Very low96 Ų96142.3 Ų142.362%0.62374%0.736SS**  trans-51136-178.5-25.132.4000110.3T718 N722T718-P720 WeakPolarHBondContact O-CD 3.49Å; P720-N722 PolarHBondContact O-N 3.45Å
721Q44.4Very low37.8Very low184 Ų184141.6 Ų141.686%0.8673%0.733SS**G310 helixtrans-58.73.4-175-76-175.4-22.300115.4V719V719-Q721 PolarHBondContact O-N 3Å
722N40Very low37.8Very low148 Ų148141.8 Ų141.879%0.79174%0.74SS**G310 helixtrans-95.713.9-175.9-73.9-32.6000115.6P720P720-N722 PolarHBondContact O-N 3.45Å
723L39.9Very low37.9Very low104 Ų104139.7 Ų139.755%0.54573%0.728SS.*G310 helixtrans-95.5-8.4172-67.8178.5000114.6V719 G725 R726V719-L723 HydrophobicContact CG1-CD1 3.78Å; L723-G725 PolarHBondContact O-N 3.13Å; L723-R726 PolarHBondContact O-N 3.02Å
724S42.4Very low37.9Very low99 Ų99138.8 Ų138.869%0.69272%0.722SS**THydrogen-bonded Turntrans-67.9-20.9174.370.50000112.8
725G37Very low38Very low64 Ų64137.6 Ų137.666%0.6673%0.729SS**THydrogen-bonded Turntrans-78.6-18.9176.500000114.9L723L723-G725 PolarHBondContact O-N 3.13Å
726R37.9Very low38.2Very low209 Ų209132.2 Ų132.279%0.78972%0.718SS**THydrogen-bonded Turntrans-101.3-13.6-172.7-153.2169173.2-179.6-2.7114.3L723L723-R726 PolarHBondContact O-N 3.02Å
727L41.6Very low37.9Very low158 Ų158137.6 Ų137.683%0.82773%0.725SS**THydrogen-bonded Turntrans-88.3-1.7175.8-72172.5000114.2
728R41.5Very low37.7Very low231 Ų231139.1 Ų139.187%0.87273%0.73SS**THydrogen-bonded Turntrans-91.38.5173.5-76.5-158.9176.6-178.61115.3
729K39Very low37.7Very low181 Ų181140 Ų14079%0.78773%0.73SS**  trans-125.179.7165.5-67.6-176.9-179.9-1770107E731K729-E731 PolarHBondContact O-N 2.86Å
730S40.5Very low37.8Very low103 Ų103143.9 Ų143.972%0.7274%0.742SS**  trans-5398.2141.449.10000105T732S730-T732 PolarHBondContact O-N 3.07Å; S730-T732 PolarHBondContact O-OG1 2.84Å
731E42Very low37.5Very low162 Ų162148.1 Ų148.176%0.75775%0.754SS**  trans-46.591.7158.7-174.6173.5-173.300106.1K729 L733K729-E731 PolarHBondContact O-N 2.86Å; E731-L733 HydrophobicContact CG-CD2 4.13Å; E731-L733 PolarHBondContact O-N 2.97Å
732T35.9Very low37Very low127 Ų127144.9 Ų144.978%0.77975%0.748SS**  trans-63.293.7164-40.20000103.8S730S730-T732 PolarHBondContact O-N 3.07Å; S730-T732 PolarHBondContact O-OG1 2.84Å
733L35.1Very low36.5Very low111 Ų111145 Ų14558%0.58175%0.749SS**  trans-52.8126171.8-69.7171.6000106.5E731 N735E731-L733 HydrophobicContact CG-CD2 4.13Å; E731-L733 PolarHBondContact O-N 2.97Å; L733-N735 PolarHBondContact O-N 2.87Å
734P38.7Very low36Very low94 Ų94149.5 Ų149.561%0.6176%0.764SS**  trans-60.3115.3-179.8-19.330.1000108.8D736P734-D736 PolarHBondContact O-N 3.43Å
735N32.4Very low35.5Very low158 Ų158151.3 Ų151.385%0.84577%0.765SS**  trans-74.259.5170.1-81.6-27000109.4L733L733-N735 PolarHBondContact O-N 2.87Å
736D39.2Very low35.2Very low125 Ų125153.7 Ų153.767%0.66877%0.766SS**  trans-136.258.9177-71.3-46.1000109.3P734P734-D736 PolarHBondContact O-N 3.43Å
737W29.7Very low35Very low232 Ų232149.6 Ų149.688%0.87976%0.76SS**  trans-100.7121.9157.7-60.3-31.6000107.9
738V30.7Very low34.4Very low126 Ų126149.6 Ų149.676%0.76476%0.755SS**  trans86.370.6176.8-158.80000114.6
739N37.1Very low33.7Very low145 Ų145142.4 Ų142.478%0.77575%0.746SS**  trans-125.5134.4143.2-81.8-46.5000109.1
740H32.8Very low33.1Very low164 Ų164140.4 Ų140.476%0.75974%0.742SS**  trans-51.8140-167-75.1-95.1000114.4P742H740-P742 WeakPolarHBondContact O-CD 3.39Å; H740-P742 WeakPolarHBondContact O-CG 3.43Å; H740-P742 VanDerWaalsContact O-N 3.11Å
741E28.6Very low32.5Very low186 Ų186143.6 Ų143.687%0.86975%0.745SS**  trans-46.9105.9163.5-166.5174.1-160.300110.2
742P35Very low31.7Very low115 Ų115140.9 Ų140.975%0.74774%0.744SS**  trans-84122.1172.61.818.4000107H740 K744H740-P742 WeakPolarHBondContact O-CD 3.39Å; H740-P742 WeakPolarHBondContact O-CG 3.43Å; H740-P742 VanDerWaalsContact O-N 3.11Å; P742-K744 PolarHBondContact O-N 3.11Å
743N29.8Very low31.3Very low150 Ų150142.8 Ų142.880%0.80275%0.748SS**  trans-41.6124.9174.3-73.8-45000111.6I745N743-I745 PolarHBondContact O-N 3.15Å
744K29.5Very low30.8Very low200 Ų200142.5 Ų142.587%0.8775%0.753SS**  trans-5796.9166.1-76.2175.8176.11750108.7P742P742-K744 PolarHBondContact O-N 3.11Å
745I32.5Very low30.2Very low137 Ų137147.8 Ų147.870%0.70377%0.766SS**  trans-93.6103.4157.5-66.1172.7000105.4N743 D747N743-I745 PolarHBondContact O-N 3.15Å; I745-D747 HydrophobicContact CG2-CB 4.45Å; I745-D747 VanDerWaalsContact CG2-OD2 3.27Å; I745-D747 WeakPolarHBondContact CG2-OD2 3.3Å; I745-D747 PolarHBondContact O-N 3.3Å
746V28.8Very low30Very low114 Ų114145.6 Ų145.669%0.69176%0.763SS**  trans-80.5100.3170.4173.70000105.7
747D34.1Very low29.3Very low123 Ų123146.5 Ų146.566%0.65877%0.773SS**  trans-131.2102.8166.2-81.2-43.1000109.6I745I745-D747 HydrophobicContact CG2-CB 4.45Å; I745-D747 VanDerWaalsContact CG2-OD2 3.27Å; I745-D747 WeakPolarHBondContact CG2-OD2 3.3Å; I745-D747 PolarHBondContact O-N 3.3Å
748H29.6Very low29.3Very low157 Ų157140.7 Ų140.773%0.72777%0.768SS**  trans27.6101.6133.3-54.5-63.6000115.9
749A26.1Very low28.9Very low81 Ų81143.4 Ų143.467%0.66977%0.772SS**  75.5135.388.900000113.3
750I26.1Very low28.5Very low138 Ų138145.6 Ų145.671%0.70878%0.777SS**  trans104.9110.6148.7-59.1164.5000117
751H29.7Very low28.2Very low170 Ų170145.8 Ų145.879%0.78778%0.783SS**  trans82.592.1148.9-60.8-21.3000120.4
752S23.7Very low28.3Very low106 Ų106144.6 Ų144.674%0.74178%0.783SS**  -8.2127.1121.1-34.70000115.5
753I28.7Very low27.8Very low167 Ų167146.4 Ų146.486%0.85679%0.785SS**  -168.2117.8124.2-85.1142000107.5
754P25Very low27.8Very low104 Ų104146.7 Ų146.768%0.67579%0.785SS**  trans-96.4157.416935.3-28.8000111.7
755K24.8Very low27.6Very low206 Ų206143.6 Ų143.690%0.89678%0.778SS**  trans89.7105.8164.9-55.4173.4178.51780116.9
756S28.6Very low27.6Very low112 Ų112144.5 Ų144.578%0.78378%0.78SS**  -163.2112.6119.563.20000110.9
757T23.9Very low27.4Very low144 Ų144144.5 Ų144.588%0.88378%0.776SS**  trans-71.6123.9158.3400000109.4
758S29.7Very low27.3Very low109 Ų109146.5 Ų146.576%0.76278%0.781SS**  trans-146.6121.2157640000110.8
759H23.4Very low27.2Very low183 Ų183146.9 Ų146.985%0.84779%0.788SS**  trans-50.9146.2166.6-65.9-95.1000112.3
760Q29Very low27.4Very low191 Ų191148.9 Ų148.989%0.89380%0.797SS**  173135.6103.7-90-171.6-11.400111.3
761L26.7Very low27.5Very low169 Ų169151.2 Ų151.289%0.88581%0.805SS**  trans-67.4124.5174.8-82.2153.1000110.2
762N29.2Very low27.1Very low161 Ų161152.8 Ų152.886%0.86180%0.804SS**  trans-90.4108.7171.1-132.5-2.5000108.3
763I25.7Very low27.5Very low153 Ų153153.8 Ų153.879%0.78581%0.811SS**  trans-94.2104.3164-62.5172.3000105.6
764L29.5Very low27.4Very low155 Ų155150.4 Ų150.481%0.81280%0.795SS**  trans-128.8102.5162.7-163.173.7000108.4
765N24.7Very low27.5Very low135 Ų135152.6 Ų152.672%0.72280%0.796SS**  trans-98107.7172.7-160.54.6000106.4
766Q32.1Very low27.8Very low156 Ų156148.6 Ų148.673%0.72979%0.793SS**  trans-135.6120.8165.6-84.2-70-8.600108.3
767N25.3Very low27.9Very low114 Ų114150.1 Ų150.161%0.6179%0.793SS**  trans-61.4152.8174.8-64.8-66.7000111.1
768H32.6Very low28.3Very low165 Ų165151.4 Ų151.476%0.76479%0.789SS**  170.8128.2102.8-85.3-63.3000111.7S770H768-S770 PolarHBondContact O-N 3.49Å
769N26.2Very low28.2Very low166 Ų166151.4 Ų151.489%0.88879%0.788SS**  trans-41.9125.8170.9-71.5-43.3000113.6
770S30.7Very low28.7Very low122 Ų122151.3 Ų151.385%0.85379%0.785SS**  trans-127.9135.714761.50000109.2H768H768-S770 PolarHBondContact O-N 3.49Å
771Q28.9Very low28.6Very low188 Ų188147.2 Ų147.288%0.87978%0.777SS**  trans-79.7129.6-166.5-64.2171.2-59.300111
772R21.7Very low28.9Very low203 Ų203150.8 Ų150.877%0.76678%0.779SS**  trans17.1104.3134.5-143-179.5-168.5-168.31.7116.3N774R772-N774 WeakPolarHBondContact CD-OD1 3.46Å; R772-N774 WeakPolarHBondContact CG-OD1 3.46Å; R772-N774 PolarHBondContact NE-OD1 3.4Å
773S30.6Very low28.8Very low127 Ų127148.3 Ų148.389%0.88877%0.774SS**  trans-105.9129.1143-170.70000108.3
774N28.1Very low28.8Very low95 Ų95150.4 Ų150.451%0.50877%0.774SS.*  trans-88.1143.5-164.6-69.7-62.2000112R772R772-N774 WeakPolarHBondContact CD-OD1 3.46Å; R772-N774 WeakPolarHBondContact CG-OD1 3.46Å; R772-N774 PolarHBondContact NE-OD1 3.4Å
775H26.1Very low29.1Very low151 Ų151148.5 Ų148.570%0.69977%0.768SS**  trans24.6113.9139.6-56.9-75.7000119.1
776S31.1Very low29.3Very low121 Ų121148.1 Ų148.185%0.84677%0.766SS**  trans-141.7107134.972.20000109.4
777D31Very low29.3Very low145 Ų145150.8 Ų150.878%0.77577%0.771SS**  trans-64.7132.6167.2-60.7-66.6000110.3
778E32.5Very low29.6Very low171 Ų171151.1 Ų151.180%0.79978%0.778SS**  trans-140.686.3152.2-139.2-178.4-160.500110.1K780E778-K780 PolarHBondContact O-N 2.96Å
779C26.2Very low29.8Very low109 Ų109149.1 Ų149.174%0.73678%0.779SS**  trans-72.897.7169.2-167.90000108.8S781C779-S781 VanDerWaalsContact C-N 3.26Å; C779-S781 PolarHBondContact O-N 3.13Å
780K34.3Very low30Very low180 Ų180148 Ų14878%0.78377%0.773SS**  trans-77.584.4161.9-82.3179.6-178.3168.10109.3E778 R782E778-K780 PolarHBondContact O-N 2.96Å; K780-R782 PolarHBondContact O-N 3.24Å
781S26.8Very low30Very low105 Ų105148.8 Ų148.873%0.73477%0.767SS**  trans-63106.9161.3-69.30000109.5C779C779-S781 VanDerWaalsContact C-N 3.26Å; C779-S781 PolarHBondContact O-N 3.13Å
782R33.8Very low30Very low244 Ų244146.9 Ų146.992%0.92176%0.763SS**  trans-11898.7162.8-94.2-171.5174.7-143-0.3110.3K780K780-R782 PolarHBondContact O-N 3.24Å
783S27.8Very low30.4Very low109 Ų109144.3 Ų144.376%0.76276%0.759SS**  trans50.4108.7136.1-156.20000120
784Y25.9Very low30.4Very low197 Ų197145.1 Ų145.177%0.77375%0.754SS**  trans-27.8134.1144.5-83-106.5000114.4
785V35Very low30.5Very low115 Ų115150.9 Ų150.970%0.69778%0.775SS**  trans-140.691136.8-175.40000107.5Y787V785-Y787 HydrophobicContact CG1-CD2 3.4Å; V785-Y787 HydrophobicContact CG1-CE2 3.5Å; V785-Y787 VanDerWaalsContact CG1-CE2 3.5Å; V785-Y787 PolarHBondContact O-N 3.13Å
786N28.8Very low30.8Very low128 Ų128150.4 Ų150.468%0.68478%0.776SS**  trans-77.8108.8161.4-89.3-24.3000107.4
787Y31.7Very low30.8Very low211 Ų211151.4 Ų151.483%0.82777%0.772SS**  trans-102.697.4153.5-85-73.2000108V785 P789V785-Y787 HydrophobicContact CG1-CD2 3.4Å; V785-Y787 HydrophobicContact CG1-CE2 3.5Å; V785-Y787 VanDerWaalsContact CG1-CE2 3.5Å; V785-Y787 PolarHBondContact O-N 3.13Å; Y787-P789 WeakPolarHBondContact O-CD 3.28Å
788T31Very low30.8Very low122 Ų122152.4 Ų152.475%0.74878%0.777SS**PPolyproline II helixtrans-63.5121.1169-23.50000108.4N790T788-N790 PolarHBondContact O-N 2.95Å
789P38.4Very low30.8Very low122 Ų122148.9 Ų148.979%0.79278%0.777SS**PPolyproline II helixtrans-68.4133.1174.725.3-29.4000109.9Y787 L791Y787-P789 WeakPolarHBondContact O-CD 3.28Å; P789-L791 PolarHBondContact O-N 3.1Å
790N29.3Very low31Very low143 Ų143152.9 Ų152.977%0.76578%0.782SS**PPolyproline II helixtrans-59.5121.3-168.4-160.1-22000112.5T788 N792T788-N790 PolarHBondContact O-N 2.95Å; N790-N792 PolarHBondContact O-N 3.06Å; N790-N792 VanDerWaalsContact O-N 3.11Å
791L30.4Very low31Very low139 Ų139151.5 Ų151.573%0.72878%0.783SS**  trans-72.887.2171.8-167.988000109P789P789-L791 PolarHBondContact O-N 3.1Å
792N30.6Very low31.5Very low147 Ų147154 Ų15479%0.78679%0.787SS**  trans-101.871.4165.6-110.2-16.4000109.8N790N790-N792 PolarHBondContact O-N 3.06Å; N790-N792 VanDerWaalsContact O-N 3.11Å
793H28.1Very low31.6Very low149 Ų149148.7 Ų148.769%0.6978%0.777SS**  trans-78.8111.3154.5-85.2-69.1000107.5
794N30.8Very low32Very low145 Ų145154.5 Ų154.578%0.77578%0.782SS**  trans-175.877.9152.1-87.9-29.2000108.3
795F31.8Very low32.9Very low215 Ų215154.4 Ų154.494%0.94379%0.785SS**  trans-123.2107.4151.5-124.3-92.7000108.9
796I30.7Very low33.4Very low141 Ų141156.3 Ų156.372%0.72379%0.787SS**  trans-54.8131.8-171-69.5157.4000111.5
797D31.5Very low34.1Very low143 Ų143154.8 Ų154.877%0.76579%0.792SS**  trans-50127166.9-72.4-59.3000112.2
798N30.6Very low34.7Very low165 Ų165153.2 Ų153.288%0.88279%0.79SS**  trans-157.652.5157.8-96.9-22.9000111.5
799A32.6Very low35.5Very low98 Ų98152.4 Ų152.481%0.8179%0.789SS**  trans-159.642.8170.900000114.5
800K31.4Very low36.2Very low193 Ų193152 Ų15284%0.83979%0.786SS**  trans-140.785.9170.1-86.4-176.2-178.3168.40111.8
801N34.9Very low37.5Very low150 Ų150150.8 Ų150.880%0.80279%0.786SS**  trans-145.338.3153.6-93-29.9000111N803N801-N803 VanDerWaalsContact C-N 3.33Å; N801-N803 PolarHBondContact O-N 2.85Å
802I37.4Very low38.6Very low157 Ų157150.1 Ų150.181%0.80579%0.79SS**  trans-85.391.6157.9-58.6176.8000105.6R804I802-R804 PolarHBondContact O-N 3.01Å
803N35Very low39.7Very low134 Ų134153.1 Ų153.172%0.71779%0.79SS**  trans-56.783.1164.3-79.4-54.6000108.7N801 K805N801-N803 VanDerWaalsContact C-N 3.33Å; N801-N803 PolarHBondContact O-N 2.85Å; N803-K805 PolarHBondContact O-N 3.42Å
804R37.2Very low41.1Very low231 Ų231150.9 Ų150.987%0.87279%0.789SS**  trans-63.188.7156.4-80.5-174177-178.10.5105.4I802 E806I802-R804 PolarHBondContact O-N 3.01Å; R804-E806 PolarHBondContact O-N 3.47Å
805K44.7Very low42.4Very low194 Ų194149.8 Ų149.884%0.84379%0.79SS**  trans-63.783.1160.7-73.2-175.2178.5179.20105.9N803 A807N803-K805 PolarHBondContact O-N 3.42Å; K805-A807 PolarHBondContact O-N 2.92Å
806E44.7Very low42.8Very low156 Ų156146.9 Ų146.973%0.72978%0.781SS**  trans-46.8113.8164.4-161.5168.9-144.200105.9R804 K808R804-E806 PolarHBondContact O-N 3.47Å; E806-K808 PolarHBondContact O-N 3.21Å
807A42.7Very low43.1Very low96 Ų96152 Ų15279%0.79379%0.791SS**  trans-62.991.3-176.400000107.3K805 S809K805-A807 PolarHBondContact O-N 2.92Å; A807-S809 PolarHBondContact O-N 3.14Å
808K45.1Very low43.7Very low178 Ų178150.1 Ų150.177%0.77479%0.786SS**  trans-53.8114.5171.1-96.383175.1177.30106E806E806-K808 PolarHBondContact O-N 3.21Å
809S47.6Very low44Very low104 Ų104148.5 Ų148.573%0.72779%0.787SS**PPolyproline II helixtrans-51.1138170.418.80000108.5A807A807-S809 PolarHBondContact O-N 3.14Å
810P53.9Low44.2Very low115 Ų115147.7 Ų147.775%0.74778%0.776SS**PPolyproline II helixtrans-57.2142-179.722.9-31.9000109.5
811P55.3Low44.4Very low117 Ų117147 Ų14776%0.7678%0.775SS**PPolyproline II helixtrans-55.2141.2-179.520.7-30.9000110.2R813P811-R813 PolarHBondContact O-N 3.19Å
812P54.2Low44.3Very low125 Ų125146.7 Ų146.781%0.81278%0.778SS**PPolyproline II helixtrans-55.3135.1-179.120.2-30.2000110.1
813R53.8Low44.1Very low209 Ų209142.8 Ų142.879%0.78977%0.77SS**PPolyproline II helixtrans-58.8134.4178.9-158177.3-139.8-115.31.8108.6P811P811-R813 PolarHBondContact O-N 3.19Å
814P57.8Low44.1Very low103 Ų103141.6 Ų141.667%0.66977%0.769SS**PPolyproline II helixtrans-53.9139.5174.6-23.131.2000110.1M816P814-M816 PolarHBondContact O-N 3.2Å
815P58.6Low43.7Very low122 Ų122142.7 Ų142.779%0.79277%0.773SS**PPolyproline II helixtrans-55.4125.2176.719.5-28.9000109.3R817P815-R817 PolarHBondContact O-N 3.48Å; P815-R817 VanDerWaalsContact O-N 3.07Å
816M38.6Very low43.2Very low153 Ų153141 Ų14175%0.75477%0.768SS**  trans-61.6113.1172-80.7175.356.700107.5P814 T818P814-M816 PolarHBondContact O-N 3.2Å; M816-T818 VanDerWaalsContact C-N 3.33Å; M816-T818 PolarHBondContact O-N 3.01Å
817R37.6Very low42.3Very low248 Ų248141.5 Ų141.594%0.93678%0.776SS**  trans-60.297.5169.9-92.5-178.7156.9-172.2-5.5108.1P815 S819P815-R817 PolarHBondContact O-N 3.48Å; P815-R817 VanDerWaalsContact O-N 3.07Å; R817-S819 PolarHBondContact O-N 2.99Å
818T43.3Very low41.7Very low105 Ų105143.8 Ų143.864%0.64477%0.773SS**  trans-68.8109.1158.549.90000105.9M816 S820M816-T818 VanDerWaalsContact C-N 3.33Å; M816-T818 PolarHBondContact O-N 3.01Å; T818-S820 PolarHBondContact O-N 3.22Å
819S38.7Very low41Very low130 Ų130141.2 Ų141.291%0.90977%0.772SS**SBendtrans-6672.8168.8171.60000108.8R817R817-S819 PolarHBondContact O-N 2.99Å
820S36Very low40Very low82 Ų82142 Ų14257%0.57378%0.777SS**  trans-154.252.7176.764.90000109.2T818T818-S820 PolarHBondContact O-N 3.22Å
821H35.3Very low38.9Very low177 Ų177141.2 Ų141.282%0.81978%0.775SS**  trans-126.984.8156.9-93.4-65.6000107.4A823H821-A823 PolarHBondContact O-N 3.15Å
822V33.3Very low37.6Very low144 Ų144141.2 Ų141.287%0.87378%0.778SS**  trans-63.692.4151.9174.30000104.8
823A33.1Very low36.4Very low76 Ų76142.3 Ų142.363%0.62878%0.775SS**  trans-68.2131.7173.400000108.1H821 R825H821-A823 PolarHBondContact O-N 3.15Å; A823-R825 PolarHBondContact O-N 3.29Å
824P35.4Very low35.1Very low109 Ų109137.4 Ų137.471%0.70877%0.773SS**  trans-62.2135.3179.5-16.429000110.1Q826P824-Q826 VanDerWaalsContact C-N 3.32Å; P824-Q826 PolarHBondContact O-N 3.17Å
825R28.7Very low33.8Very low253 Ų253138 Ų13896%0.95578%0.776SS**  trans-57.393.7168.3-69.9-179.3169.1-173.3-3.9108.9A823A823-R825 PolarHBondContact O-N 3.29Å
826Q33.3Very low32.4Very low160 Ų160142.7 Ų142.775%0.74878%0.78SS**  trans-108.9107164.2-72-169.9-17.700107.7P824 I828P824-Q826 VanDerWaalsContact C-N 3.32Å; P824-Q826 PolarHBondContact O-N 3.17Å; Q826-I828 PolarHBondContact O-N 3.47Å; Q826-I828 VanDerWaalsContact O-N 3.1Å
827N27Very low31.8Very low165 Ų165140.9 Ų140.988%0.88278%0.781SS**  trans-52.7106.8165.2-73.9-28.9000108.6
828I30Very low31.4Very low145 Ų145136.7 Ų136.774%0.74477%0.772SS**  trans-126.1112.2162.9-58.2179.7000107.4Q826Q826-I828 PolarHBondContact O-N 3.47Å; Q826-I828 VanDerWaalsContact O-N 3.1Å
829V30.3Very low30.7Very low124 Ų124140.5 Ų140.575%0.75278%0.782SS**  trans-53.3137.5173.41720000110.3S831V829-S831 PolarHBondContact O-N 3.49Å
830S26.6Very low30.3Very low119 Ų119145 Ų14583%0.83278%0.779SS**  trans-32.2110.4168-490000113.5
831S29.6Very low29.9Very low99 Ų99149.8 Ų149.869%0.69279%0.792SS**  trans-137.286.8154.9470000108.1V829 I833V829-S831 PolarHBondContact O-N 3.49Å; S831-I833 VanDerWaalsContact C-N 3.29Å; S831-I833 PolarHBondContact O-N 3.49Å
832S28.1Very low29.5Very low117 Ų117148 Ų14882%0.81880%0.798SS**  trans-72.181.317250.90000109.8
833I29.8Very low29.2Very low148 Ų148150 Ų15076%0.75980%0.798SS**  trans-131.195156.8-68.996.6000106.4S831S831-I833 VanDerWaalsContact C-N 3.29Å; S831-I833 PolarHBondContact O-N 3.49Å
834S25.3Very low28.9Very low106 Ų106157.9 Ų157.974%0.74181%0.811SS**  trans-113.9121.6159.3-910000108Y836S834-Y836 PolarHBondContact O-N 3.29Å; S834-Y836 VanDerWaalsContact O-N 3.15Å
835P31.5Very low28.6Very low115 Ų115160.2 Ų160.275%0.74781%0.812SS**  trans-75.4105.7-174.229.8-31.4000109.3C837P835-C837 PolarHBondContact O-N 2.85Å
836Y28.8Very low28.7Very low222 Ų222158.1 Ų158.187%0.87181%0.81SS**  trans-66.1117170.1-98.9-93.1000109.6S834 H838S834-Y836 PolarHBondContact O-N 3.29Å; S834-Y836 VanDerWaalsContact O-N 3.15Å; Y836-H838 PolarHBondContact O-N 3.19Å
837C25.8Very low28.4Very low114 Ų114154.4 Ų154.477%0.7781%0.807SS**  trans-57.8132.4176-74.10000111.2P835 H839P835-C837 PolarHBondContact O-N 2.85Å; C837-H839 PolarHBondContact O-N 2.66Å
838H29Very low28.6Very low161 Ų161154.5 Ų154.575%0.74581%0.807SS**  trans-56.9102.1173.6-76.637.7000111.6Y836Y836-H838 PolarHBondContact O-N 3.19Å
839H29.8Very low28.4Very low184 Ų184150.8 Ų150.885%0.85281%0.805SS**  trans-98.487.5157.8-97.870.7000108.9C837 H841C837-H839 PolarHBondContact O-N 2.66Å; H839-H841 VanDerWaalsContact C-N 3.27Å; H839-H841 PolarHBondContact O-N 2.83Å
840R28.8Very low28.4Very low225 Ų225152.6 Ų152.685%0.84981%0.809SS**  trans-69.673.7170.8-76.8-171.4175.5-154.11.4110.9
841H28.7Very low28.6Very low183 Ų183152.7 Ų152.785%0.84780%0.8SS**  trans-167.880.5157.8-125.245.9000111.2H839H839-H841 VanDerWaalsContact C-N 3.27Å; H839-H841 PolarHBondContact O-N 2.83Å
842C26.4Very low28.4Very low140 Ų140156 Ų15695%0.94681%0.81SS**  trans176.668.2151.5-91.90000108.2
843Q28Very low28.5Very low185 Ų185158.8 Ų158.886%0.86481%0.807SS**  trans-123.183.1170.1-163.7159.45.300107.5
844R26.6Very low28.3Very low241 Ų241156.4 Ų156.491%0.90980%0.804SS**  trans-110.597161.4-87.5-171.6179.2166.60.6107.7
845H29.1Very low28.3Very low159 Ų159157.4 Ų157.474%0.73681%0.805SS**  trans19.3103.9142.3-66.8-95.2000116.8
846F29.3Very low28.2Very low208 Ų208162.2 Ų162.291%0.91281%0.814SS**  -120.794130-89.2-81.3000107.2L848F846-L848 PolarHBondContact O-N 3.22Å
847A27.9Very low28.1Very low82 Ų82155.8 Ų155.868%0.67881%0.807SS**  trans-83102.3168.100000107.4
848L31.6Very low28Very low167 Ų167157.2 Ų157.287%0.87481%0.807SS**  trans-121.375.7155.3-74.5174.5000106.1F846F846-L848 PolarHBondContact O-N 3.22Å
849G24.8Very low28.1Very low68 Ų68156.5 Ų156.570%0.70181%0.814SS**  trans-82.2121.4158.300000107.1
850L31.9Very low27.9Very low161 Ų161154.1 Ų154.184%0.84381%0.808SS**  trans-165.1120.5150.3-105.6157.9000110.2
851L28.9Very low27.7Very low121 Ų121151.4 Ų151.463%0.63481%0.805SS**  trans81.184.9151.5-112.279.2000119K853L851-K853 HydrophobicContact CD2-CD 3.76Å; L851-K853 HydrophobicContact CD2-CG 3.97Å; L851-K853 HydrophobicContact CG-CG 4.36Å; L851-K853 PolarHBondContact O-N 3.36Å
852D26.3Very low27.6Very low169 Ų169149.4 Ų149.490%0.90480%0.796SS**  trans-52.8112.5134.1-72.3-43.9000109.6
853K30.3Very low27.5Very low176 Ų176150.3 Ų150.377%0.76579%0.786SS**  trans-127.9111.6155.4-94-174.1180174.50109.4L851L851-K853 HydrophobicContact CD2-CD 3.76Å; L851-K853 HydrophobicContact CD2-CG 3.97Å; L851-K853 HydrophobicContact CG-CG 4.36Å; L851-K853 PolarHBondContact O-N 3.36Å
854S25Very low27.4Very low98 Ų98146.7 Ų146.769%0.68578%0.781SS**  trans-58.9159.6172.360.90000112.9
855T26.4Very low27.3Very low126 Ų126142.5 Ų142.577%0.77378%0.777SS**  trans63.7102.2147.439.30000117.8
856K29.7Very low27.1Very low216 Ų216139.7 Ų139.794%0.93977%0.771SS**  -158.7118.1126.9-107.4167.8-173.3-173.70110.8
857A25.2Very low27.1Very low87 Ų87136.5 Ų136.572%0.71976%0.763SS**  trans-76.3162.7168.400000110.8
858N23.8Very low27.1Very low145 Ų145140.2 Ų140.278%0.77577%0.772SS**  trans62.4104.9165.9-72.7-14.5000116.6
859T31.5Very low26.8Very low146 Ų146139.1 Ų139.190%0.89677%0.765SS**  -162129103.1-180000108.7
860D25.4Very low27Very low133 Ų133141 Ų14171%0.71177%0.765SS**  trans-61.4159.8170.6-65.7-61.7000112.1
861E25.9Very low26.8Very low169 Ų169139.5 Ų139.579%0.7976%0.763SS**  trans84.1125.2146.6-81.5176.4-160.100120.5
862Q24.9Very low27Very low140 Ų140142.1 Ų142.165%0.65477%0.772SS**  trans75.591.6143.5-54.8-95.52.900116.6
863H25.7Very low27.3Very low159 Ų159140.6 Ų140.674%0.73676%0.764SS**  156.3128107.5-84.7-49.8000112.1
864S24.3Very low27.5Very low109 Ų109139.7 Ų139.776%0.76277%0.766SS**  trans37.893.1146.363.30000116.9
865N25.3Very low27.9Very low154 Ų154140.7 Ų140.782%0.82476%0.764SS**  trans-143.7129133.5-138.4-15.9000111.9
866T26.1Very low28.4Very low100 Ų100144.1 Ų144.161%0.61377%0.768SS**  trans-57.8134.2-17542.20000112.8N868T866-N868 PolarHBondContact O-N 3.15Å
867N27.4Very low28.7Very low141 Ų141138.5 Ų138.575%0.75476%0.756SS**  trans41.168.2134.5-58.7-20.3000116.8
868N27.7Very low29.3Very low160 Ų160139.4 Ų139.486%0.85675%0.747SS**  trans-108.270.7149.8-76.2-29.2000107.7T866 P870T866-N868 PolarHBondContact O-N 3.15Å; N868-P870 VanDerWaalsContact O-CD 3.31Å; N868-P870 WeakPolarHBondContact O-CD 3.42Å
869I26.5Very low30Very low144 Ų144139.9 Ų139.974%0.73875%0.75SS**  trans-76.6113161.5-65175.3000104.9T871I869-T871 PolarHBondContact O-N 3.01Å; I869-T871 VanDerWaalsContact O-N 3.1Å
870P28Very low30.5Very low107 Ų107141.3 Ų141.370%0.69575%0.747SS**  trans-65.3116174.2-4.921.1000105.8N868 E872N868-P870 VanDerWaalsContact O-CD 3.31Å; N868-P870 WeakPolarHBondContact O-CD 3.42Å; P870-E872 PolarHBondContact O-N 3.35Å
871T29Very low30.9Very low129 Ų129138.2 Ų138.279%0.79174%0.736SS**  trans-59.497.3168.8-32.30000106.3I869 N873I869-T871 PolarHBondContact O-N 3.01Å; I869-T871 VanDerWaalsContact O-N 3.1Å; T871-N873 PolarHBondContact O-N 3.23Å
872E32.2Very low31.8Very low177 Ų177135.1 Ų135.183%0.82773%0.73SS**  trans-49.5115.3169.2-75.9-173.7154.100106.4P870 L874P870-E872 PolarHBondContact O-N 3.35Å; E872-L874 PolarHBondContact O-N 3.03Å
873N32Very low32.6Very low137 Ų137134.5 Ų134.573%0.73373%0.73SS**  trans-58.686.8175.8-91-60.6000108.6T871 N875T871-N873 PolarHBondContact O-N 3.23Å; N873-N875 PolarHBondContact O-N 3.22Å
874L34.7Very low33.3Very low157 Ų157131.8 Ų131.882%0.82272%0.72SS**  trans-72.149166.4-163.585.8000109.7E872E872-L874 PolarHBondContact O-N 3.03Å
875N33.5Very low34.1Very low119 Ų119130 Ų13064%0.63671%0.707SS**  trans-126.617178.6-81.4-25.5000112N873N873-N875 PolarHBondContact O-N 3.22Å
876K36.8Very low34.7Very low198 Ų198131.8 Ų131.886%0.86170%0.702SS**SBendtrans-100.7-8.5178.9-92.4-175177.71790116.4
877S37.8Very low35.1Very low97 Ų97134.2 Ų134.268%0.67870%0.701SS**SBendtrans-99.8-10.5-175760000116.1N879S877-N879 VanDerWaalsContact C-N 3.29Å; S877-N879 PolarHBondContact O-N 2.73Å
878I37.3Very low35.8Very low106 Ų106130.9 Ų130.954%0.54469%0.689SS.*G310 helixtrans-81.9-8.7-172.4-25.5178.2000113
879N38.4Very low36.6Very low155 Ų155129.7 Ų129.783%0.82968%0.678SS**G310 helixtrans-89.30.1-177.6-74.5-12.1000115S877S877-N879 VanDerWaalsContact C-N 3.29Å; S877-N879 PolarHBondContact O-N 2.73Å
880E41.9Very low37.3Very low177 Ų177129.6 Ų129.683%0.82768%0.679SS**G310 helixtrans-100.410-179.1-76.5-169.6165.100115.2P882E880-P882 VanDerWaalsContact O-CD 3.3Å; E880-P882 WeakPolarHBondContact O-CD 3.44Å
881S33.6Very low37.6Very low68 Ų68133.4 Ų133.448%0.47668%0.68SS.*  trans-96.1107.4172.3-78.10000111.6I883 L884S881-I883 PolarHBondContact O-N 2.69Å; S881-L884 PolarHBondContact O-N 3.07Å; S881-L884 VanDerWaalsContact O-N 3.13Å
882P45.1Very low38Very low104 Ų104131.1 Ų131.168%0.67567%0.67SS**Hα-helixtrans-62.8-11.5-179-19.432.1000114.1E880E880-P882 VanDerWaalsContact O-CD 3.3Å; E880-P882 WeakPolarHBondContact O-CD 3.44Å
883I40.6Very low38.1Very low127 Ų127129.5 Ų129.565%0.65167%0.666SS**Hα-helixtrans-76.3-34.6-180-56.1176.9000110.5S881 Y887S881-I883 PolarHBondContact O-N 2.69Å; I883-Y887 WeakPolarHBondContact O-CD2 3.45Å
884L42Very low38.2Very low102 Ų102130.4 Ų130.453%0.53467%0.671SS.*Hα-helixtrans-83.6-26.1179.3-71.5173.2000113.1S881 R886 Y887 S888S881-L884 PolarHBondContact O-N 3.07Å; S881-L884 VanDerWaalsContact O-N 3.13Å; L884-R886 PolarHBondContact O-N 3.5Å; L884-Y887 PolarHBondContact O-N 2.85Å; L884-Y887 VanDerWaalsContact O-N 3.13Å; L884-S888 PolarHBondContact O-N 3.17Å
885C41Very low38.3Very low72 Ų72128.6 Ų128.649%0.48667%0.666SS.*Hα-helixtrans-63.9-25.3174.4-162.90000112.4S888 Q889C885-S888 PolarHBondContact O-OG 3.49Å; C885-Q889 WeakPolarHBondContact O-CG 3.31Å; C885-Q889 PolarHBondContact O-N 2.82Å
886R37.7Very low38.3Very low191 Ų191131.4 Ų131.472%0.72168%0.676SS**Hα-helixtrans-76.5-28.6174.3-71.3-157.5-175.1-163.12.8113.9L884L884-R886 PolarHBondContact O-N 3.5Å
887Y34.8Very low38.1Very low150 Ų150126.1 Ų126.159%0.58867%0.669SS**Hα-helixtrans-78.7-31.5178.3-76-74.3000112.2I883 L884 Q889 L890 Y891I883-Y887 WeakPolarHBondContact O-CD2 3.45Å; L884-Y887 PolarHBondContact O-N 2.85Å; L884-Y887 VanDerWaalsContact O-N 3.13Å; Y887-Q889 VanDerWaalsContact C-N 3.32Å; Y887-Q889 PolarHBondContact O-N 2.94Å; Y887-L890 PolarHBondContact O-N 2.71Å; Y887-Y891 PolarHBondContact O-N 3.09Å
888S40.9Very low37.7Very low71 Ų71130.5 Ų130.550%0.49768%0.676SS.*Hα-helixtrans-70.9-26.6173.557.50000113.3L884 C885 Y891 S892L884-S888 PolarHBondContact O-N 3.17Å; C885-S888 PolarHBondContact O-OG 3.49Å; S888-Y891 CarbonylContact O-C 3.33Å; S888-S892 PolarHBondContact O-N 2.78Å; S888-S892 PolarHBondContact O-OG 2.97Å
889Q45.1Very low37.3Very low136 Ų136134.4 Ų134.464%0.63669%0.689SS**Hα-helixtrans-73.3-30.8174-74.1-179-8.600113.3C885 Y887C885-Q889 WeakPolarHBondContact O-CG 3.31Å; C885-Q889 PolarHBondContact O-N 2.82Å; Y887-Q889 VanDerWaalsContact C-N 3.32Å; Y887-Q889 PolarHBondContact O-N 2.94Å
890L40.8Very low36.8Very low142 Ų142134.1 Ų134.174%0.74369%0.686SS**Hα-helixtrans-79.6-23.9177.6-70.5174.2000112.9Y887Y887-L890 PolarHBondContact O-N 2.71Å
891Y35.1Very low36.2Very low186 Ų186131.9 Ų131.973%0.72968%0.679SS**THydrogen-bonded Turntrans-108.844168.7-63.9-78.9000111.2Y887 S888 L893Y887-Y891 PolarHBondContact O-N 3.09Å; S888-Y891 CarbonylContact O-C 3.33Å; Y891-L893 PolarHBondContact O-N 3.04Å
892S37.6Very low35.9Very low81 Ų81135.4 Ų135.457%0.56669%0.693SS**  trans-73.777.4155.1-64.50000107S888 N894S888-S892 PolarHBondContact O-N 2.78Å; S888-S892 PolarHBondContact O-OG 2.97Å; S892-N894 PolarHBondContact O-N 2.97Å; S892-N894 VanDerWaalsContact O-N 3.14Å
893L34.4Very low35.2Very low143 Ų143137.3 Ų137.375%0.74970%0.698SS**  trans-52.3121.4153.4-81.3163.4000104.6Y891 T895Y891-L893 PolarHBondContact O-N 3.04Å; L893-T895 PolarHBondContact O-N 2.76Å
894N34.1Very low34.5Very low157 Ų157139 Ų13984%0.8471%0.708SS**  trans-59.281.7162.9-74.2-26.4000106.1S892 E896S892-N894 PolarHBondContact O-N 2.97Å; S892-N894 VanDerWaalsContact O-N 3.14Å; N894-E896 PolarHBondContact O-N 2.96Å
895T36.6Very low33.6Very low118 Ų118137.9 Ų137.972%0.72472%0.721SS**  trans-66.591.1155.647.30000102.8L893 A897L893-T895 PolarHBondContact O-N 2.76Å; T895-A897 PolarHBondContact O-N 2.96Å
896E31.9Very low32.9Very low179 Ų179141.8 Ų141.884%0.83674%0.737SS**  trans-45.596.8148.8-73.2-178.6167.500104.5N894 K898N894-E896 PolarHBondContact O-N 2.96Å; E896-K898 PolarHBondContact O-N 3.17Å
897A33.6Very low32.4Very low87 Ų87138.7 Ų138.772%0.71973%0.734SS**  trans-65.484.217000000103.9T895 K899T895-A897 PolarHBondContact O-N 2.96Å; A897-K899 PolarHBondContact O-N 3.08Å
898K29.6Very low32.1Very low189 Ų189138.1 Ų138.182%0.82274%0.742SS**  trans-54.7101.5162.9-140.3176.1-172.5177.60102.5E896 I900E896-K898 PolarHBondContact O-N 3.17Å; K898-I900 VanDerWaalsContact C-N 3.27Å; K898-I900 PolarHBondContact O-N 3Å
899K29.1Very low31.7Very low188 Ų188142.6 Ų142.682%0.81776%0.76SS**  trans-51.3102.3173.8-77.3179175179.80105.5A897 N901A897-K899 PolarHBondContact O-N 3.08Å; K899-N901 PolarHBondContact O-N 3.1Å
900I28.1Very low30.8Very low148 Ų148143.6 Ų143.676%0.75977%0.77SS**  trans-7095161.7-62.1175000101.8K898 D902K898-I900 VanDerWaalsContact C-N 3.27Å; K898-I900 PolarHBondContact O-N 3Å; I900-D902 VanDerWaalsContact C-N 3.29Å; I900-D902 PolarHBondContact O-N 3.27Å
901N29.3Very low30.1Very low130 Ų130141.8 Ų141.870%0.69577%0.766SS**  trans-63.9103.3166.5-91.2-8.9000105.4K899 N903K899-N901 PolarHBondContact O-N 3.1Å; N901-N903 VanDerWaalsContact C-N 3.27Å; N901-N903 PolarHBondContact O-N 3.27Å
902D26.8Very low29.6Very low142 Ų142140.3 Ų140.376%0.75977%0.77SS**  trans-55.496.8155.7-66.9-38.7000107.3I900I900-D902 VanDerWaalsContact C-N 3.29Å; I900-D902 PolarHBondContact O-N 3.27Å
903N30Very low29.1Very low145 Ų145143.7 Ų143.778%0.77578%0.781SS**  trans-128.993.9155.1-84.2-29.8000106.3N901N901-N903 VanDerWaalsContact C-N 3.27Å; N901-N903 PolarHBondContact O-N 3.27Å
904N25.8Very low28.4Very low162 Ų162141.7 Ų141.787%0.86678%0.778SS**  trans-42.1139.6157.9-80.5-35.5000109.9N906N904-N906 PolarHBondContact O-N 2.95Å
905G23.4Very low28.1Very low78 Ų78141.2 Ų141.280%0.80478%0.775SS**  trans-48134.5-175.900000113.1
906N27.3Very low27.7Very low154 Ų154140.4 Ų140.482%0.82478%0.775SS**  trans-135.6136.6137.9-160.57.8000107.6N904N904-N906 PolarHBondContact O-N 2.95Å
907D26.6Very low27.3Very low126 Ų126141.3 Ų141.367%0.67477%0.772SS**  trans-66.4164.2-167.1-60.8-58.1000113.2
908N28.6Very low27.1Very low139 Ų139143 Ų14374%0.74378%0.779SS**  trans71.394.1153.4-51.6-37.1000116.7
909N31.6Very low26.9Very low164 Ų164140.6 Ų140.688%0.87777%0.77SS**  -169.6104.1123.4-88.2-36.5000110.9
910N27.1Very low26.8Very low158 Ų158141.9 Ų141.985%0.84577%0.771SS**  trans29.3146.9148.8-97.7-13.2000123.5
911P26.2Very low26.9Very low103 Ų103141.3 Ų141.367%0.66978%0.775SS**  trans-82137.5-163.534.5-35000114N913P911-N913 PolarHBondContact O-N 3.48Å
912I24.8Very low26.8Very low156 Ų156138.8 Ų138.880%0.877%0.772SS**  trans11.1103.1134.4-51.9172.8000114.6
913N25.8Very low26.8Very low152 Ų152139.1 Ų139.181%0.81377%0.773SS**  trans-112.993.9153.3-170.5-4.7000107.8P911P911-N913 PolarHBondContact O-N 3.48Å
914C20.8Very low26.6Very low101 Ų101138.6 Ų138.668%0.68277%0.77SS**  trans-101113.8157.6-670000105.9
915N26.8Very low26.8Very low146 Ų146138.8 Ų138.878%0.78177%0.771SS**  trans-169.4136.7141.2-100.6-17.5000113.3
916S27.7Very low26.8Very low101 Ų101143 Ų14371%0.70677%0.771SS**  trans8291.3146-470000118.8
917Y23.6Very low26.8Very low198 Ų198141.8 Ų141.878%0.77677%0.77SS**  -5.5124.6128.2-98.5-106.9000115.7
918S30.4Very low26.9Very low124 Ų124140.5 Ų140.587%0.86777%0.771SS**  trans-148.8102.2144.9-790000108.7
919Q25.2Very low26.9Very low137 Ų137139.6 Ų139.664%0.6478%0.775SS**  trans-78.1168.7160.2-70.4178.1-17.500108.8
920Y26.8Very low26.7Very low215 Ų215135.8 Ų135.884%0.84377%0.766SS**  trans82.3124.3-173.4-56.1-83.9000112.4
921T31Very low26.6Very low137 Ų137135.4 Ų135.484%0.8476%0.763SS**  cis-160.1147.441.7-30.90000109.5
922A26Very low26.7Very low76 Ų76139 Ų13963%0.62877%0.77SS**  trans-83.7156.7-176.400000112.6
923I26.6Very low26.8Very low150 Ų150137.3 Ų137.377%0.76977%0.767SS**  trans79.894.9147.7-58.1152.5000117.4
924N26.1Very low26.8Very low134 Ų134134.9 Ų134.972%0.71776%0.762SS**  14.5113.5123.1-61.2-18.3000117.2
925N30.3Very low27.1Very low165 Ų165137.1 Ų137.188%0.88277%0.768SS**  trans-136100.5140.9-96.1-25.1000108.9
926M24.6Very low27.1Very low166 Ų166138.4 Ų138.482%0.81877%0.774SS**  trans-83115.4163.3-67.3173.3175.600107.2
927T26.7Very low27Very low129 Ų129142.7 Ų142.779%0.79178%0.781SS**  trans-177.1146.1145.96.90000111.3
928S28.2Very low27.3Very low100 Ų100138.9 Ų138.970%0.69978%0.778SS**  trans101.2107.5154.3-550000117
929S27.8Very low27.2Very low120 Ų120140.5 Ų140.584%0.83978%0.777SS**  trans74.1143.7134.2-400000116.8
930A28.1Very low27.3Very low83 Ų83140.2 Ų140.269%0.68678%0.784SS**  cis-172.6135.2-1400000102.9
931I25.1Very low27.5Very low151 Ų151135.8 Ų135.877%0.77478%0.782SS**  trans34.394.6140.2-46171.4000115.7
932H29Very low27.2Very low177 Ų177134.3 Ų134.382%0.81978%0.777SS**  -164.6130.6116.2-109.2-78.5000110.8
933T26.2Very low27.2Very low121 Ų121138.2 Ų138.274%0.74279%0.787SS**  trans-60.7157.4174.29.10000112.7
934S26.6Very low27.5Very low101 Ų101136.7 Ų136.771%0.70679%0.787SS**  trans82.296.116071.40000117.4
935N25.8Very low27.7Very low148 Ų148135.1 Ų135.179%0.79178%0.784SS**  47.794.1121-59.6-18.9000116.1
936N26.5Very low27.5Very low173 Ų173135.1 Ų135.193%0.92578%0.778SS**  -138.8114.5118.9-94.7-34.6000111
937K27.1Very low27.5Very low192 Ų192136.1 Ų136.184%0.83577%0.773SS**  trans-72.3132.3177.6-137172.8-179.8174.70107.6
938T29.8Very low27.4Very low117 Ų117138.5 Ų138.572%0.71877%0.769SS**  trans48.5106.1145.239.30000118.8
939N27.6Very low27.4Very low158 Ų158140.8 Ų140.885%0.84577%0.771SS**  trans20.4111.4133.3-68.4-10.9000117.3
940T27.6Very low27.3Very low131 Ų131141 Ų14180%0.80476%0.759SS**  trans-44.8161.7136.225.90000112.7
941P31.2Very low27.1Very low122 Ų122146.1 Ų146.179%0.79276%0.762SS**  cis-135.6118.6-6.526.5-3.8000112.5
942S24.9Very low27.2Very low106 Ų106145.6 Ų145.674%0.74176%0.756SS**SBendtrans-115.9114.9160.760.40000110
943L24.7Very low27Very low158 Ų158143.6 Ų143.683%0.82775%0.747SS**  trans70.2133.8154.2-76.696.1000120.7
944P33.5Very low27.1Very low118 Ų118144.7 Ų144.777%0.76674%0.744SS**  trans-87160.2174.238.5-33.3000110.6
945P30.2Very low27.1Very low102 Ų102146.2 Ų146.266%0.66274%0.74SS**  trans-145.5140.8144.734.1-16.9000114.1
946H25.9Very low27.1Very low164 Ų164146.4 Ų146.476%0.75974%0.736SS**  trans72.3138.5154-63.1-48.2000116.2
947R25.6Very low27.1Very low188 Ų188146.8 Ų146.871%0.70973%0.732SS**  cis-174.8148.96-115.9-172.6-172.5174.42.4104.4
948Y24.4Very low27Very low179 Ų179145.8 Ų145.870%0.70273%0.73SS**  trans90.7131.7133.9-92.1-124.3000121.3
949I27.5Very low26.9Very low147 Ų147149.4 Ų149.475%0.75474%0.737SS**  trans86.3134143.4-63156.5000114.9
950H25Very low26.8Very low125 Ų125146.5 Ų146.558%0.57973%0.728SS**  cis174.1156.5-14.7-149.6-76000104.4
951Y24.7Very low26.6Very low191 Ų191145.4 Ų145.475%0.74972%0.722SS**  trans70.5145.2160.8-68.3-57.5000117.3
952E27.2Very low26.3Very low139 Ų139147.7 Ų147.765%0.6572%0.721SS**  cis-162.71322.7-111.1-161.1144.700105.3
953Q24.9Very low26.4Very low135 Ų135152.2 Ų152.263%0.63173%0.73SS**  89.6137.298.9-147.2-166.890.300114.5
954Q28.3Very low26.5Very low144 Ų144152.5 Ų152.567%0.67373%0.727SS**  trans84.5142.2163.9-50.5-169.41900117.2
955Q26.4Very low26.2Very low134 Ų134155 Ų15563%0.62673%0.728SS**  cis-171.2149.5-6.8-106.4-172.593.400107.1
956Q26.6Very low26.1Very low152 Ų152157.9 Ų157.971%0.7173%0.733SS**  trans63.4114.5144.7-63.5-17923.300123.2
957Q25.5Very low26.1Very low180 Ų180156.5 Ų156.584%0.84173%0.726SS**  37.6107.5125.1-63-179.43600120.4
958Q25.8Very low26.3Very low171 Ų171156.2 Ų156.280%0.79973%0.733SS**  164.2152.3122.2-92.1-177.7-5.200109.1
959F27.8Very low26.4Very low194 Ų194156 Ų15685%0.85174%0.738SS**  trans96.5123.4172.1-70-83.9000120.7
960S24.5Very low26.4Very low96 Ų96156.7 Ų156.767%0.67174%0.738SS**  trans78.8103.6139.1-113.60000122.2
961T24.5Very low26.6Very low108 Ų108156.5 Ų156.566%0.66375%0.747SS**  45.3104.6118.257.80000118.9
962H25Very low26.7Very low170 Ų170156.1 Ų156.179%0.78775%0.752SS**  160.397.3111.3-95.9-52.8000109.5H964H962-H964 PolarHBondContact O-N 3.11Å
963H26.9Very low27.1Very low201 Ų201154 Ų15493%0.93175%0.75SS**  trans-77.2104.2161.4-97.2-1.3000109
964H25.8Very low27.3Very low164 Ų164153.7 Ų153.776%0.75976%0.757SS**  trans-91.1125.5156.9-107.429.8000108.7H962H962-H964 PolarHBondContact O-N 3.11Å
965H28.3Very low27.4Very low170 Ų170155.1 Ų155.179%0.78776%0.764SS**  trans32.5114.2137.4-84.456.6000117.7
966H26.8Very low27.4Very low163 Ų163159 Ų15976%0.75577%0.774SS**  trans-158.6127.3132.2-104.1-38.6000114.2
967H26.2Very low27.4Very low135 Ų135160.4 Ų160.463%0.62578%0.781SS**  trans45111.3135.9-68.8-37.1000119.9
968H30.3Very low27.5Very low182 Ų182160.9 Ų160.984%0.84378%0.783SS**  -144.398.5116.2-98.8-54.9000110.4
969H25.7Very low27.4Very low174 Ų174159.1 Ų159.181%0.80679%0.788SS**  trans-80.9108149.3-82-72000106.8
970H27.6Very low27.4Very low163 Ų163158.1 Ų158.176%0.75579%0.786SS**  trans-127133143.5-100.1-45.7000108
971P30.2Very low27.7Very low120 Ų120159 Ų15978%0.77979%0.793SS**PPolyproline II helixtrans-75.6136.5-164.930-33.2000111.9
972H26.5Very low27.8Very low184 Ų184160.9 Ų160.985%0.85280%0.798SS**PPolyproline II helixtrans-69.1167.1165.9-107.9-89000111.5
973P35.4Very low28.1Very low94 Ų94157.2 Ų157.261%0.6180%0.798SS**PPolyproline II helixtrans-89.2156.3-143.735-37.8000114.6Q975P973-Q975 PolarHBondContact O-N 3.25Å
974V28.1Very low28.3Very low128 Ų128152.1 Ų152.178%0.77679%0.785SS**  trans-62.492.8162.9-177.60000108.7Y976V974-Y976 HydrophobicContact CG1-CD2 4.03Å; V974-Y976 HydrophobicContact CG1-CE2 4.12Å
975Q31Very low28.5Very low175 Ų175151.7 Ų151.782%0.81879%0.788SS**  trans-83.8106.1161.3-87.8-171.9-28.700108.9P973 Q977P973-Q975 PolarHBondContact O-N 3.25Å; Q975-Q977 PolarHBondContact O-N 3.41Å
976Y26.3Very low28.7Very low215 Ų215152.3 Ų152.384%0.84379%0.791SS**  trans-61.2102.6160.4-90.4-97.8000109.6V974V974-Y976 HydrophobicContact CG1-CD2 4.03Å; V974-Y976 HydrophobicContact CG1-CE2 4.12Å
977Q27.5Very low28.9Very low182 Ų182155.9 Ų155.985%0.8580%0.798SS**  trans-164.279.8157.9-126.4168.44.400112.6Q975Q975-Q977 PolarHBondContact O-N 3.41Å
978Q26.3Very low29.3Very low189 Ų189154.6 Ų154.688%0.88380%0.804SS**  trans-156.981.3158.7-142.8167.6600112.8
979C25.1Very low29.4Very low134 Ų134152.8 Ų152.891%0.90580%0.8SS**  trans-123.771.2158-72.70000108.1
980Q28.3Very low29.6Very low173 Ų173155.4 Ų155.481%0.80881%0.805SS**  trans-98.899.5158.5-81.1-170.4-9.700107.9N982Q980-N982 PolarHBondContact O-N 3.46Å; Q980-N982 VanDerWaalsContact O-N 3.11Å
981S29.1Very low30Very low116 Ų116157 Ų15781%0.81181%0.809SS**  trans-61.496168.648.90000110.2
982N27.5Very low30.4Very low146 Ų146158.6 Ų158.678%0.78181%0.806SS**  trans-96.6114.6163.6-84.3-21.3000109Q980 S984Q980-N982 PolarHBondContact O-N 3.46Å; Q980-N982 VanDerWaalsContact O-N 3.11Å; N982-S984 PolarHBondContact O-N 3.3Å; N982-S984 VanDerWaalsContact O-N 3.08Å
983A30.8Very low30.9Very low94 Ų94157.5 Ų157.578%0.77781%0.806SS**  trans-60.9107.2176.500000110N985A983-N985 PolarHBondContact O-N 3.18Å
984S30.6Very low31.2Very low94 Ų94158.7 Ų158.766%0.65781%0.811SS**  trans-68.5101.4170.956.40000109.2N982 H986N982-S984 PolarHBondContact O-N 3.3Å; N982-S984 VanDerWaalsContact O-N 3.08Å; S984-H986 PolarHBondContact O-N 2.98Å
985N31.7Very low31.7Very low155 Ų155160.3 Ų160.383%0.82981%0.81SS**  trans-59.198.9168.1-83.3-46.8000109.9A983 R987A983-N985 PolarHBondContact O-N 3.18Å; N985-R987 VanDerWaalsContact C-N 3.29Å; N985-R987 PolarHBondContact O-N 3.26Å
986H32.4Very low32Very low183 Ų183160.5 Ų160.585%0.84781%0.809SS**  trans-67.284.3165.1-81.3-79.5000109.8S984S984-H986 PolarHBondContact O-N 2.98Å
987R30.4Very low32.6Very low238 Ų238156.9 Ų156.990%0.89880%0.804SS**  trans-142.459.6169.8-154.3179.4-171.1-171.33.2112.3N985N985-R987 VanDerWaalsContact C-N 3.29Å; N985-R987 PolarHBondContact O-N 3.26Å
988S34.2Very low33.3Very low107 Ų107156.3 Ų156.375%0.74880%0.803SS**  trans-157.584.1172.440.80000110.7
989N32.5Very low34Very low144 Ų144155.8 Ų155.877%0.7780%0.798SS**SBendtrans-156.910.5158.2-106.2-26000116.2
990Y30.9Very low34.7Very low230 Ų230155.7 Ų155.790%0.90279%0.789SS**SBendtrans-100.77179.9-90.1-79.1000115.5
991K36Very low35.5Very low195 Ų195153.6 Ų153.685%0.84879%0.788SS**SBendtrans-105.3-9.6179.1-96.5-174.1174.8-1770115.9
992Q37.7Very low35.7Very low154 Ų154159.5 Ų159.572%0.7279%0.792SS**SBendtrans-89.4-8.9-177.9-117.8174.76.400114.9
993L36.3Very low36.3Very low161 Ų161164.7 Ų164.784%0.84381%0.808SS**SBendtrans-86.2-14.5179.3-122.286.9000114.6
994V42.7Very low36.6Very low119 Ų119168.2 Ų168.272%0.72181%0.809SS**SBendtrans-92.1-18-176.7-175.80000112.3
995E38.2Very low36.9Very low162 Ų162172.1 Ų172.176%0.75782%0.817SS**SBendtrans-89-13-175.2-140.1173.1-168.200113.9
996F37.2Very low37.2Very low180 Ų180173.1 Ų173.179%0.78982%0.816SS**SBendtrans-81.7-14179.7-122.5-88.7000114.2
997D39.1Very low37.5Very low139 Ų139172.5 Ų172.574%0.74382%0.815SS**SBendtrans-94.1-8-174.2-125.5-3000114.6
998M41.3Very low37.9Very low169 Ų169168.4 Ų168.483%0.83381%0.809SS**SBendtrans-96.4-7.6-179.9-80.9-150165.100115.5
999K41.9Very low38.2Very low179 Ų179172.5 Ų172.578%0.77881%0.814SS**SBendtrans-88.7-12.7-178.8-91.6179.9178.2171.40115.6
1000N39.8Very low38.6Very low131 Ų131174.5 Ų174.570%0.70182%0.817SS**SBendtrans-102.13.8-178.8-77.2-20.4000115.3R1002N1000-R1002 VanDerWaalsContact C-N 3.32Å
1001V45.3Very low39.2Very low130 Ų130170.2 Ų170.279%0.78881%0.81SS**SBendtrans-92.711.5171.9-171.70000112
1002R34.1Very low39.4Very low240 Ų240168.2 Ų168.291%0.90681%0.807SS**  trans-130.321.8177.7-105.1-171.5-162.3-178.97.2116.1N1000N1000-R1002 VanDerWaalsContact C-N 3.32Å
1003K39.6Very low39.6Very low254 Ų254169.5 Ų169.5100%1.10482%0.815SS**  trans-122.30159.5-80.3-176.8176.9178.40108.1

Retrieved 1,003 of 1,003 residues in 777.2 ms (Link to these results)