A0A5K4FCD8_SCHMA Loading...

Tcp10_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCD8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,258 aa.

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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
1M35.3Very low33.9Very low231 Ų231164.2 Ų164.2100%1.13881%0.812SS**  0119.90-70.3169.767.600107.3
2Y33.7Very low33.7Very low227 Ų227161.4 Ų161.489%0.8980%0.803SS**  trans-97.7109-175.1-79.3-84.4000110.9
3S34.7Very low33.5Very low107 Ų107156.2 Ų156.275%0.74879%0.791SS**  trans-10782.7169.1-64.50000108.9E5S3-E5 PolarHBondContact O-N 3.24Å
4L35.9Very low33.6Very low143 Ų143154.1 Ų154.175%0.74978%0.783SS**  trans-83.491.2173-92.7159.5000109.3N6L4-N6 PolarHBondContact O-N 3.1Å
5E34.9Very low33.4Very low151 Ų151153.7 Ų153.771%0.70678%0.777SS**  trans-6787.3179.8-152.482.4-156.300110.7S3 H7S3-E5 PolarHBondContact O-N 3.24Å; E5-H7 PolarHBondContact O-N 3.22Å
6N35.2Very low33.5Very low148 Ų148154.6 Ų154.679%0.79178%0.777SS**  trans-7292.9-179.9-90-44.8000111.5L4 R8L4-N6 PolarHBondContact O-N 3.1Å; N6-R8 PolarHBondContact O-N 3.34Å
7H35.5Very low33.4Very low172 Ų172155.5 Ų155.580%0.79678%0.777SS**  trans-68.274.1170.4-68.9-54.2000112.3E5 S9E5-H7 PolarHBondContact O-N 3.22Å; H7-S9 PolarHBondContact O-N 3.28Å; H7-S9 VanDerWaalsContact O-N 3.09Å
8R32.4Very low33.3Very low237 Ų237156.1 Ų156.189%0.89478%0.777SS**  trans-76.992.5173.7-160.7176.9-167.6-177.64.4109.6N6 S10N6-R8 PolarHBondContact O-N 3.34Å; R8-S10 PolarHBondContact O-N 2.96Å; R8-S10 VanDerWaalsContact O-N 3.08Å
9S31Very low33.1Very low97 Ų97160 Ų16068%0.67878%0.782SS**  trans-63.8105.1177.841.10000111.4H7 F11H7-S9 PolarHBondContact O-N 3.28Å; H7-S9 VanDerWaalsContact O-N 3.09Å; S9-F11 PolarHBondContact O-N 3.01Å; S9-F11 VanDerWaalsContact O-N 3.13Å
10S31.9Very low33.1Very low98 Ų98160.3 Ų160.369%0.68578%0.781SS**  trans-74.699.6174.259.10000110.2R8 N12R8-S10 PolarHBondContact O-N 2.96Å; R8-S10 VanDerWaalsContact O-N 3.08Å; S10-N12 VanDerWaalsContact C-N 3.31Å; S10-N12 PolarHBondContact O-N 3.32Å
11F32.6Very low33.1Very low195 Ų195160.7 Ų160.786%0.85578%0.782SS**  trans-69.291.4162.1-86.5-86.2000109.3S9 S13S9-F11 PolarHBondContact O-N 3.01Å; S9-F11 VanDerWaalsContact O-N 3.13Å; F11-S13 PolarHBondContact O-N 3.1Å; F11-S13 VanDerWaalsContact O-N 3.07Å
12N32Very low32.8Very low131 Ų131156.8 Ų156.870%0.70177%0.766SS**  trans-63107.4166.8-81.4-7.7000108.8S10 D14S10-N12 VanDerWaalsContact C-N 3.31Å; S10-N12 PolarHBondContact O-N 3.32Å; N12-D14 PolarHBondContact O-N 3.11Å
13S31.1Very low32.9Very low93 Ų93152.8 Ų152.865%0.6576%0.76SS**  trans-87.388.5169.2-174.20000108.2F11 H15F11-S13 PolarHBondContact O-N 3.1Å; F11-S13 VanDerWaalsContact O-N 3.07Å; S13-H15 VanDerWaalsContact C-N 3.33Å; S13-H15 PolarHBondContact O-N 3.18Å; S13-H15 PolarHBondContact O-ND1 3.31Å
14D34.5Very low32.6Very low128 Ų128153.8 Ų153.868%0.68476%0.761SS**  trans-62.690.8179.2-79-39.4000111.1N12 H16N12-D14 PolarHBondContact O-N 3.11Å; D14-H16 PolarHBondContact O-N 3.17Å
15H31.2Very low32.4Very low148 Ų148155 Ų15569%0.68577%0.767SS**  trans-72.186.7174.2-94.453.4000110.4S13 H17S13-H15 VanDerWaalsContact C-N 3.33Å; S13-H15 PolarHBondContact O-N 3.18Å; S13-H15 PolarHBondContact O-ND1 3.31Å; H15-H17 PolarHBondContact O-N 2.99Å
16H34.5Very low32.2Very low168 Ų168152.3 Ų152.378%0.77877%0.765SS**  trans-67.693.2171.4-79.3-59.3000111.8D14 Q18D14-H16 PolarHBondContact O-N 3.17Å; H16-Q18 PolarHBondContact O-N 3.18Å
17H31.4Very low31.9Very low169 Ų169153.3 Ų153.378%0.78277%0.771SS**  trans-66.586.4166.7-74.4-62.6000111.7H15 R19H15-H17 PolarHBondContact O-N 2.99Å; H17-R19 PolarHBondContact O-N 3.24Å
18Q32.3Very low31.6Very low166 Ų166151.1 Ų151.178%0.77677%0.77SS**  trans-74.591.9163.3-80.1-172.9-13.200110.3H16 H20H16-Q18 PolarHBondContact O-N 3.18Å; Q18-H20 PolarHBondContact O-N 3.42Å; Q18-H20 VanDerWaalsContact O-N 3.1Å
19R29.1Very low31.3Very low231 Ų231147.5 Ų147.587%0.87277%0.767SS**  trans-65.898.7165.6-72.9179.7171.1-175.3-2.5109.5H17 Q21H17-R19 PolarHBondContact O-N 3.24Å; R19-Q21 PolarHBondContact O-N 2.91Å
20H32.5Very low31.2Very low166 Ų166152.4 Ų152.477%0.76978%0.776SS**  trans-76.2121.9161.3-86.7-76.1000109.8Q18Q18-H20 PolarHBondContact O-N 3.42Å; Q18-H20 VanDerWaalsContact O-N 3.1Å
21Q34.5Very low31Very low169 Ų169153.5 Ų153.579%0.7978%0.784SS**  trans-68.2142.9175.8-69.5-93.61.100110.1R19 D23R19-Q21 PolarHBondContact O-N 2.91Å; Q21-D23 PolarHBondContact O-N 3.21Å; Q21-D23 VanDerWaalsContact O-N 3.12Å
22N29Very low30.7Very low149 Ų149149.4 Ų149.480%0.79778%0.78SS**  trans-84.377179-70.2-44.1000110.9T24N22-T24 PolarHBondContact O-N 3.35Å; N22-T24 PolarHBondContact O-OG1 3.47Å
23D34.7Very low30.4Very low143 Ų143148 Ų14877%0.76578%0.78SS**  trans-66.5109.6173.2-79.1-29.3000110.5Q21 L25Q21-D23 PolarHBondContact O-N 3.21Å; Q21-D23 VanDerWaalsContact O-N 3.12Å; D23-L25 VanDerWaalsContact C-N 3.29Å; D23-L25 PolarHBondContact O-N 3.12Å
24T29.6Very low30.3Very low128 Ų128148.9 Ų148.979%0.78579%0.786SS**  trans-81.372-172.5-56.10000110.4N22 S26N22-T24 PolarHBondContact O-N 3.35Å; N22-T24 PolarHBondContact O-OG1 3.47Å; T24-S26 PolarHBondContact O-N 2.83Å
25L31.3Very low30Very low167 Ų167151.1 Ų151.187%0.87479%0.79SS**  trans-78.1106.3174.7-77.6173.7000111.1D23D23-L25 VanDerWaalsContact C-N 3.29Å; D23-L25 PolarHBondContact O-N 3.12Å
26S30.9Very low29.7Very low95 Ų95149.5 Ų149.566%0.66480%0.796SS**  trans-72.2136.9179.7-700000113T24 T28T24-S26 PolarHBondContact O-N 2.83Å; S26-T28 PolarHBondContact O-N 2.92Å; S26-T28 VanDerWaalsContact O-N 3.1Å; S26-T28 PolarHBondContact O-OG1 3.01Å
27N28.2Very low29.4Very low169 Ų169146.6 Ų146.690%0.90479%0.794SS**  trans-3.793158.9-65.7-37000116.7
28T28.3Very low29.1Very low126 Ų126144.6 Ų144.677%0.77379%0.794SS**  trans-134.4136.5156-410000108.3S26S26-T28 PolarHBondContact O-N 2.92Å; S26-T28 VanDerWaalsContact O-N 3.1Å; S26-T28 PolarHBondContact O-OG1 3.01Å
29L27.8Very low28.9Very low161 Ų161141.2 Ų141.284%0.84379%0.788SS**  trans69.977.8179.5-54.1173.5000116.9
30K28Very low28.7Very low200 Ų200136.2 Ų136.287%0.8779%0.788SS**  trans-59.3150.5130.6-72.1176.3176.3175.70108.4
31S27.4Very low28.5Very low122 Ų122134.1 Ų134.185%0.85378%0.781SS**  trans96.464.7171.1-37.80000117.8
32S25.9Very low28.3Very low109 Ų109129.4 Ų129.476%0.76277%0.771SS**  trans-160.649.3147.367.60000112.8S34S32-S34 PolarHBondContact O-N 3.47Å
33S26.9Very low28.4Very low100 Ų100131.3 Ų131.370%0.69977%0.768SS**  trans-75.774.316658.80000109.5F35S33-F35 PolarHBondContact O-N 3.45Å
34S27.6Very low28.5Very low112 Ų112130.4 Ų130.478%0.78376%0.764SS**  trans-68.881.6168.4-57.60000108.1S32 S36S32-S34 PolarHBondContact O-N 3.47Å; S34-S36 PolarHBondContact O-N 3.2Å
35F28.1Very low29Very low175 Ų175132 Ų13277%0.76877%0.767SS**  trans-56.7112.4166.3-81.1-86.9000107.1S33 S37S33-F35 PolarHBondContact O-N 3.45Å; F35-S37 PolarHBondContact O-N 3.34Å
36S26.6Very low29.4Very low115 Ų115130.8 Ų130.880%0.80476%0.762SS**  trans-65.489.8168176.70000107.2S34 T38S34-S36 PolarHBondContact O-N 3.2Å; S36-T38 PolarHBondContact O-N 3.27Å
37S26.6Very low29.7Very low106 Ų106132.7 Ų132.774%0.74176%0.764SS**  trans-59.298.9174.6-62.50000108.8F35 S39F35-S37 PolarHBondContact O-N 3.34Å; S37-S39 PolarHBondContact O-N 3.17Å
38T25.6Very low30.3Very low128 Ų128131.7 Ų131.779%0.78576%0.759SS**  trans-56.5106.1160.2-49.90000106.1S36 C40S36-T38 PolarHBondContact O-N 3.27Å; T38-C40 PolarHBondContact O-N 2.85Å
39S27.3Very low30.8Very low94 Ų94133.5 Ų133.566%0.65776%0.763SS**  trans-63.599.8-17954.60000108.4S37 I41S37-S39 PolarHBondContact O-N 3.17Å; S39-I41 PolarHBondContact O-N 2.83Å
40C25Very low31.5Very low126 Ų126132.6 Ų132.685%0.85176%0.759SS**  trans-6590.2158.423.90000105.9T38 A42T38-C40 PolarHBondContact O-N 2.85Å; C40-A42 PolarHBondContact O-N 2.87Å
41I29.3Very low31.8Very low122 Ų122130.2 Ų130.263%0.62675%0.751SS**  trans-63.199.2161.5-60.7172.6000104.2S39 Y43S39-I41 PolarHBondContact O-N 2.83Å; I41-Y43 PolarHBondContact O-N 2.93Å
42A29.4Very low32.1Very low71 Ų71130.2 Ų130.259%0.58775%0.745SS**  trans-56.6120.1156.100000105.2C40 D44C40-A42 PolarHBondContact O-N 2.87Å; A42-D44 PolarHBondContact O-N 3.48Å
43Y32.5Very low32.5Very low188 Ų188133.7 Ų133.774%0.73774%0.742SS**  trans-71.9107.6160.3-73.2-90.9000104.2I41 D45I41-Y43 PolarHBondContact O-N 2.93Å; Y43-D45 PolarHBondContact O-N 2.8Å
44D36.7Very low32.8Very low125 Ų125135.5 Ų135.567%0.66874%0.742SS**  trans-58.5121.1165.4-61.2-51.7000106.1A42 D46A42-D44 PolarHBondContact O-N 3.48Å; D44-D46 PolarHBondContact O-N 3.43Å
45D38.7Very low33Very low162 Ų162138.9 Ų138.987%0.86674%0.743SS**SBendtrans-71.113.2-179-79.3-43.7000112.3Y43 N47Y43-D45 PolarHBondContact O-N 2.8Å; D45-N47 VanDerWaalsContact C-N 3.29Å; D45-N47 PolarHBondContact O-N 3.3Å
46D40.5Very low33.3Very low140 Ų140137.8 Ų137.875%0.74975%0.745SS**  trans-9024.7178.8-62.3-23.8000112.6D44 D48D44-D46 PolarHBondContact O-N 3.43Å; D46-D48 PolarHBondContact O-N 3.5Å
47N36.9Very low33.7Very low136 Ų136138.5 Ų138.573%0.72774%0.74SS**  trans-7385.7158.6-92.3-46.4000107.8D45 L49D45-N47 VanDerWaalsContact C-N 3.29Å; D45-N47 PolarHBondContact O-N 3.3Å; N47-L49 PolarHBondContact O-N 3.23Å
48D42.3Very low34.2Very low148 Ų148141.6 Ų141.679%0.79174%0.74SS**  trans-39.9109157-78.9-43.7000108D46 D50D46-D48 PolarHBondContact O-N 3.5Å; D48-D50 PolarHBondContact O-N 3.45Å
49L38.8Very low34.6Very low163 Ų163140.5 Ų140.585%0.85373%0.729SS**  trans-71.682.6171.1-73.7173.3000106.7N47 E51N47-L49 PolarHBondContact O-N 3.23Å; L49-E51 PolarHBondContact O-N 2.82Å
50D40.6Very low35Very low142 Ų142143.7 Ų143.776%0.75973%0.734SS**  trans-41113163.8-98.3-30.6000107.1D48 V52D48-D50 PolarHBondContact O-N 3.45Å; D50-V52 PolarHBondContact O-N 3.33Å
51E34.5Very low35.4Very low151 Ų151145.2 Ų145.271%0.70673%0.728SS**  trans-64.888178.8-73.4-172.5142.500108.4L49 R53L49-E51 PolarHBondContact O-N 2.82Å; E51-R53 PolarHBondContact O-N 2.92Å; E51-R53 IonicContact OE2-NH2 3.6Å
52V34.9Very low35.7Very low121 Ų121146.8 Ų146.873%0.73374%0.737SS**  trans-66.385.1170.5-178.20000106.7D50 I54D50-V52 PolarHBondContact O-N 3.33Å; V52-I54 HydrophobicContact CG1-CG1 4.3Å; V52-I54 PolarHBondContact O-N 3.38Å
53R32.8Very low36Very low182 Ų182148.9 Ų148.969%0.68774%0.743SS**  trans-61.192.2168.7-78.6174.8-119.2-155.7-10.2107.2E51 F55E51-R53 PolarHBondContact O-N 2.92Å; E51-R53 IonicContact OE2-NH2 3.6Å; R53-F55 VanDerWaalsContact C-N 3.29Å; R53-F55 HydrophobicContact CB-CE2 4.4Å; R53-F55 WeakPolarHBondContact O-CD2 3.25Å; R53-F55 PolarHBondContact O-N 3.25Å
54I33.7Very low36.1Very low138 Ų138145 Ų14571%0.70874%0.738SS**  trans-65.697.3170.3-59.4177.6000106.1V52 L56V52-I54 HydrophobicContact CG1-CG1 4.3Å; V52-I54 PolarHBondContact O-N 3.38Å; I54-L56 VanDerWaalsContact C-N 3.32Å; I54-L56 PolarHBondContact O-N 3.4Å
55F33.2Very low36.2Very low184 Ų184145.8 Ų145.881%0.80774%0.743SS**  trans-60.399167.7-69.7-90.3000107.6R53 N57R53-F55 VanDerWaalsContact C-N 3.29Å; R53-F55 HydrophobicContact CB-CE2 4.4Å; R53-F55 WeakPolarHBondContact O-CD2 3.25Å; R53-F55 PolarHBondContact O-N 3.25Å; F55-N57 PolarHBondContact O-N 3.14Å
56L34.4Very low36.1Very low152 Ų152144.5 Ų144.580%0.79674%0.736SS**  trans-63.693.5166.9-75.8171.8000107I54 K58I54-L56 VanDerWaalsContact C-N 3.32Å; I54-L56 PolarHBondContact O-N 3.4Å; L56-K58 VanDerWaalsContact C-N 3.3Å; L56-K58 PolarHBondContact O-N 3.41Å
57N34.1Very low35.9Very low130 Ų130146.3 Ų146.370%0.69574%0.74SS**  trans-68.891.9179.7-162.330000108.1F55 N59F55-N57 PolarHBondContact O-N 3.14Å; N57-N59 PolarHBondContact O-N 3.47Å
58K36.2Very low35.7Very low171 Ų171147 Ų14774%0.74374%0.744SS**  trans-70.270.2175.8-70.2-169.8176.1-168.40110L56 E60L56-K58 VanDerWaalsContact C-N 3.3Å; L56-K58 PolarHBondContact O-N 3.41Å; K58-E60 PolarHBondContact O-N 3Å
59N35.6Very low35.3Very low105 Ų105144.8 Ų144.856%0.56175%0.746SS**  trans-77.882.3156.9-73.211.8000106.6N57 H61N57-N59 PolarHBondContact O-N 3.47Å; N59-H61 VanDerWaalsContact C-N 3.27Å; N59-H61 PolarHBondContact O-N 3.21Å
60E34.1Very low35.1Very low161 Ų161143.1 Ų143.175%0.75274%0.743SS**  trans-59.597.9159.1-77.7167.8164.600106.6K58 D62K58-E60 PolarHBondContact O-N 3Å; E60-D62 PolarHBondContact O-N 3.2Å
61H34.8Very low34.5Very low157 Ų157141.4 Ų141.473%0.72774%0.742SS**  trans-82.8103.9162.9-83.3-69.6000106.4N59 V63N59-H61 VanDerWaalsContact C-N 3.27Å; N59-H61 PolarHBondContact O-N 3.21Å; H61-V63 VanDerWaalsContact C-N 3.32Å; H61-V63 PolarHBondContact O-N 3.48Å
62D34.8Very low34.4Very low155 Ų155145 Ų14583%0.82975%0.75SS**  trans-54.499.4162.8-70.4-44.4000108.4E60E60-D62 PolarHBondContact O-N 3.2Å
63V35.9Very low34.1Very low115 Ų115147.5 Ų147.570%0.69775%0.754SS**  trans-98.296.9162.5-179.20000105H61 D65H61-V63 VanDerWaalsContact C-N 3.32Å; H61-V63 PolarHBondContact O-N 3.48Å; V63-D65 PolarHBondContact O-N 3.42Å; V63-D65 VanDerWaalsContact O-N 3.12Å
64T35.3Very low34.2Very low106 Ų106146.9 Ų146.965%0.6576%0.764SS**  trans-61.1108.5167.140.90000108.3D66T64-D66 PolarHBondContact O-N 3.46Å
65D38.5Very low33.8Very low142 Ų142145.9 Ų145.976%0.75977%0.769SS**  trans-69.686.9165.4-83.1-32.4000108V63 Q67V63-D65 PolarHBondContact O-N 3.42Å; V63-D65 VanDerWaalsContact O-N 3.12Å; D65-Q67 PolarHBondContact O-N 2.89Å
66D35.8Very low33.9Very low136 Ų136146.6 Ų146.673%0.72778%0.775SS**  trans-65.880.5167.3-68.9-41.7000108.8T64 D68T64-D66 PolarHBondContact O-N 3.46Å; D66-D68 PolarHBondContact O-N 3.09Å
67Q36.5Very low33.5Very low177 Ų177148.3 Ų148.383%0.82778%0.779SS**  trans-78.6100.1169.6-76.2-158-10.500110D65 A69D65-Q67 PolarHBondContact O-N 2.89Å; Q67-A69 PolarHBondContact O-N 2.87Å
68D32.7Very low33.5Very low151 Ų151150.4 Ų150.481%0.80779%0.789SS**  trans-52.7107.5167.6-76.8-46.4000110.9D66 T70D66-D68 PolarHBondContact O-N 3.09Å; D68-T70 PolarHBondContact O-N 3.19Å
69A33.1Very low33.1Very low102 Ų102147 Ų14784%0.84379%0.787SS**  trans-75.885.8174.700000110.4Q67 S71Q67-A69 PolarHBondContact O-N 2.87Å; A69-S71 PolarHBondContact O-N 2.79Å
70T35.3Very low32.7Very low128 Ų128147.6 Ų147.679%0.78579%0.794SS**  trans-74.5107.4166.8550000110D68D68-T70 PolarHBondContact O-N 3.19Å
71S29Very low32.6Very low106 Ų106150 Ų15074%0.74180%0.802SS**  trans-34127.8170.852.30000115A69A69-S71 PolarHBondContact O-N 2.79Å
72Y31Very low32.2Very low225 Ų225147.2 Ų147.288%0.88281%0.806SS**  trans-126118.6150.4-141.4-91.2000108.2L74Y72-L74 PolarHBondContact O-N 2.96Å
73E28.8Very low32.1Very low174 Ų174146.9 Ų146.981%0.81380%0.804SS**  trans-76.2119.4-175.4-63174.1139.900110.2
74L34.3Very low31.6Very low170 Ų170151.6 Ų151.689%0.8981%0.809SS**  trans-133.8100.2156.5-85.3174.2000107.8Y72Y72-L74 PolarHBondContact O-N 2.96Å
75S26.4Very low31.4Very low116 Ų116156.9 Ų156.981%0.81182%0.817SS**  trans-82119.1173.5-61.90000109.3
76E34.3Very low30.7Very low199 Ų199156.3 Ų156.393%0.9381%0.814SS**  trans-153.3120.2149-117.7171.3-149.100109.3
77E27.6Very low30.5Very low188 Ų188156 Ų15688%0.87982%0.822SS**  trans-88.9122-171.1-57.317311100111.4
78L34.1Very low29.9Very low175 Ų175152.8 Ų152.892%0.91682%0.82SS**  trans-146.584.7155.2-82.7-170.9000113.9
79S27.1Very low29.8Very low99 Ų99153.7 Ų153.769%0.69282%0.823SS**  trans42111135-153.40000122.3
80T27.6Very low29.5Very low117 Ų117153.9 Ų153.972%0.71882%0.819SS**  trans55.2113.6133.664.60000121.4
81K32.2Very low29Very low211 Ų211156.5 Ų156.592%0.91783%0.827SS**  -170.8118.199.4-101.6167.1-175.6172.10111.6
82A26.9Very low29Very low99 Ų99157.1 Ų157.182%0.81883%0.832SS**  trans-94.7141.5173.900000111.1
83L32.6Very low28.6Very low148 Ų148151.4 Ų151.478%0.77582%0.824SS**  trans-139.693.2160.5-154.580.2000110.9
84R25Very low28.5Very low215 Ų215150.8 Ų150.881%0.81183%0.826SS**  trans-64.7139170.2-92176168.7162.9-3.9110.6
85R29.8Very low28Very low217 Ų217148.1 Ų148.182%0.81982%0.821SS**  trans-136.1112.5144.9-74.4-165.2176.492.7-0.1109.4
86N25Very low28Very low129 Ų129148.4 Ų148.469%0.6982%0.823SS**  trans-93.4141.5170.7-62.8-10.3000108.4
87S30.7Very low27.5Very low129 Ų129143.7 Ų143.790%0.90281%0.813SS**  trans-153.2106.8165.5-66.30000109.4
88S24.9Very low27.1Very low110 Ų110140.9 Ų140.977%0.76981%0.812SS**  trans-118.1117.5-177.752.80000110.4
89L30Very low26.9Very low170 Ų170138.3 Ų138.389%0.8981%0.809SS**  trans-143.294.6170.3-84.1164.5000106.9
90S28Very low26.7Very low106 Ų106139.9 Ų139.974%0.74181%0.814SS**  76.588.182-66.40000113.4
91L23.8Very low26.9Very low183 Ų183142.1 Ų142.196%0.95882%0.821SS**  trans-66.8142.2163.9-75.9156000110.4
92S29.1Very low26.6Very low120 Ų120137.2 Ų137.284%0.83981%0.813SS**  trans-128.2155166.349.70000110.3
93S22.9Very low26.7Very low105 Ų105141.6 Ų141.673%0.73481%0.813SS**  trans-124.7-166.2-154.1520000112.5
94L27.3Very low26.3Very low160 Ų160139.6 Ų139.684%0.83881%0.812SS**  trans88.2118176.8-48.6158.6000113.3
95S23.1Very low26.6Very low114 Ų114138.9 Ų138.980%0.79782%0.815SS**  cis74.7108.143-166.60000114.9
96S27.1Very low26.4Very low122 Ų122137.2 Ų137.285%0.85382%0.816SS**  trans-168.9162.3142.6-166.30000111
97S22.6Very low26.4Very low101 Ų101142.2 Ų142.271%0.70683%0.825SS**  trans-126.8158.9-165.4-52.50000114.2
98C19.9Very low26.1Very low129 Ų129141.1 Ų141.187%0.87282%0.817SS**  trans38.7122.2149.2-59.80000121.1
99S30.1Very low26.2Very low121 Ų121142.5 Ų142.585%0.84682%0.815SS**  trans-150.7141.4142.646.10000112.4
100V23.2Very low26.1Very low131 Ų131143.1 Ų143.179%0.79481%0.813SS**  trans-104.1135.7179.8171.50000108.8
101L31.6Very low25.8Very low165 Ų165143.5 Ų143.586%0.86482%0.816SS**  trans-132.8109169.6-84.8172.2000111.5
102S25.1Very low26.1Very low108 Ų108141.4 Ų141.476%0.75581%0.811SS**  trans-92.1126.9171.7-45.60000109.9
103K29.7Very low25.9Very low190 Ų190140.8 Ų140.883%0.82681%0.807SS**  trans-136.4114.1163.1-77-169.8177.6178.30110.7
104S24.2Very low26.2Very low106 Ų106143.3 Ų143.374%0.74181%0.811SS**  trans-87136.6173.852.80000111.2
105F30Very low26Very low201 Ų201146.9 Ų146.988%0.88281%0.813SS**  trans-131112.1158.7-86.7-76.6000110
106H26Very low26.3Very low181 Ų181147.2 Ų147.284%0.83881%0.811SS**  trans-88.2132166.2-93.7-71.8000109.5
107R24.2Very low26.2Very low235 Ų235147.2 Ų147.289%0.88781%0.81SS**  trans-151.7125.8147.7-153.7171.8-168.5168.83.6111
108S25.5Very low26.6Very low105 Ų105148.6 Ų148.673%0.73482%0.815SS**  trans-129.1117-178.440.50000109.4
109I27.2Very low27.1Very low140 Ų140148.3 Ų148.372%0.71881%0.812SS**  trans-138111.6165.9-59.1-175.7000110.2
110Q27.5Very low26.8Very low183 Ų183148 Ų14886%0.85581%0.808SS**  trans16142.9148.7-68.8170.1-21.900123.2
111S22.8Very low27.2Very low114 Ų114153 Ų15380%0.79781%0.812SS**  trans-64.9144.7165.452.30000115.2
112T29.1Very low26.9Very low139 Ų139151.9 Ų151.985%0.85381%0.807SS**  trans-113.5120.7156.348.20000110.5
113S23.9Very low27.3Very low107 Ų107154.1 Ų154.175%0.74881%0.809SS**  trans-81.6130.9171.1-1780000109.9
114L30Very low27.2Very low157 Ų157151.3 Ų151.382%0.82280%0.804SS**  trans-128.7107.9160-130.283.4000109.6
115R23.1Very low27.2Very low236 Ų236156.4 Ų156.489%0.89181%0.813SS**  trans-76122.3163.2-85.6176.8163.5177.9-5.2108.4
116T30.4Very low27.4Very low121 Ų121152.9 Ų152.974%0.74281%0.808SS**  trans-133.297.5153.650.50000109.2
117S24.7Very low27.4Very low121 Ų121151 Ų15185%0.84680%0.804SS**  trans-77.9121.216649.70000109.5
118T30.7Very low27.6Very low131 Ų131146.1 Ų146.180%0.80480%0.796SS**  trans-128.8138.2162.328.30000109.6
119P29.6Very low27.9Very low123 Ų123150.7 Ų150.780%0.79980%0.802SS**  trans-90.1169.2-160.1-5.426.6000113.2
120C25Very low27.9Very low115 Ų115150.4 Ų150.478%0.77780%0.801SS**  trans-48.7136.4173.2-55.30000112.3
121R29.9Very low28.2Very low234 Ų234148.6 Ų148.688%0.88380%0.797SS**  trans-97107.1156.1-83.4-172.1173.9-179-1108.4I123R121-I123 PolarHBondContact O-N 3.46Å
122D27.2Very low28.5Very low142 Ų142148.9 Ų148.976%0.75979%0.794SS**  trans-63.8114.4164.6-58.3-54.1000108.6
123I33.3Very low28.5Very low155 Ų155152.7 Ų152.780%0.79579%0.794SS**  trans-98.3109.4168-61.5-178.1000106.8R121R121-I123 PolarHBondContact O-N 3.46Å
124N26.2Very low28.8Very low132 Ų132152.9 Ų152.971%0.70679%0.793SS**  trans-57.6139.6-173.2-71.6-53.9000113.1T126N124-T126 PolarHBondContact O-N 3.2Å; N124-T126 VanDerWaalsContact O-N 3.14Å
125F26.1Very low28.7Very low213 Ų213153.8 Ų153.893%0.93479%0.793SS**  trans-67105.4162.2-76.9-89.2000109.8
126T32.9Very low29.1Very low126 Ų126147.8 Ų147.877%0.77378%0.784SS**  trans-101.899.5169.653.30000111.1N124N124-T126 PolarHBondContact O-N 3.2Å; N124-T126 VanDerWaalsContact O-N 3.14Å
127N27Very low29Very low141 Ų141148.1 Ų148.175%0.75479%0.786SS**  trans19.1138.3146.8-65.1-19.8000121.3
128N28.3Very low29.2Very low134 Ų134151.8 Ų151.872%0.71779%0.787SS**  trans71.699.3147.3-58.9-12.8000118.6
129K30.3Very low29Very low201 Ų201154.1 Ų154.187%0.87479%0.789SS**  -138.4132.7117.7-104.8172.1-171.9-178.50110.3
130I28.3Very low29Very low133 Ų133155.4 Ų155.468%0.68279%0.787SS**  trans-105.4108.7-176.4-63.9163.5000106.4T132I130-T132 WeakPolarHBondContact CG2-OG1 3.37Å
131D34.3Very low29.2Very low146 Ų146155.8 Ų155.878%0.78179%0.788SS**  trans-115.691.5167.4-78.2-51.8000109Y133D131-Y133 PolarHBondContact O-N 3.02Å; D131-Y133 VanDerWaalsContact O-N 3.14Å
132T28.9Very low29.1Very low120 Ų120150.5 Ų150.574%0.73679%0.787SS**  trans-72.198.8-179.2-56.10000110.6I130I130-T132 WeakPolarHBondContact CG2-OG1 3.37Å
133Y28.6Very low28.9Very low218 Ų218154.7 Ų154.786%0.85579%0.792SS**PPolyproline II helixtrans-71.9129.5167.2-102-92.2000110.9D131 H135D131-Y133 PolarHBondContact O-N 3.02Å; D131-Y133 VanDerWaalsContact O-N 3.14Å; Y133-H135 PolarHBondContact O-N 3.41Å
134P30.6Very low28.7Very low111 Ų111158.6 Ų158.672%0.72180%0.797SS**PPolyproline II helixtrans-73.1129.6-173.527.5-34.2000112.3
135H26.4Very low28.7Very low176 Ų176158.1 Ų158.182%0.81580%0.799SS**PPolyproline II helixtrans-71.7130.2177-132.8-64000110.6Y133 T137Y133-H135 PolarHBondContact O-N 3.41Å; H135-T137 PolarHBondContact O-N 3.39Å
136P32.3Very low28.8Very low111 Ų111154.7 Ų154.772%0.72180%0.795SS**  trans-69.7115176.225.3-32.6000111.2K138P136-K138 PolarHBondContact O-N 2.95Å
137T28.6Very low28.4Very low128 Ų128154 Ų15479%0.78580%0.795SS**  trans-69.2121.4-177.8-46.40000111.5H135 Q139H135-T137 PolarHBondContact O-N 3.39Å; T137-Q139 PolarHBondContact O-N 2.72Å
138K27.9Very low28.3Very low197 Ų197153.4 Ų153.486%0.85780%0.797SS**  trans-6993.4173.4-65.5176-179.2174.70110.5P136 I140P136-K138 PolarHBondContact O-N 2.95Å; K138-I140 PolarHBondContact O-N 3.29Å
139Q27.1Very low28Very low181 Ų181156.2 Ų156.285%0.84681%0.806SS**  trans-78.2113.3165.6-69.9-164.717.600109.9T137T137-Q139 PolarHBondContact O-N 2.72Å
140I29.9Very low27.6Very low149 Ų149150.5 Ų150.576%0.76479%0.791SS**  trans-76.3130.4174.1-64.5172.5000108.1K138 S142K138-I140 PolarHBondContact O-N 3.29Å; I140-S142 PolarHBondContact O-N 3.5Å; I140-S142 VanDerWaalsContact O-N 3.11Å
141P29.7Very low27.4Very low123 Ų123151.9 Ų151.980%0.79980%0.795SS**  trans-61.4115179.6-23.633.9000111.7R143P141-R143 PolarHBondContact O-N 2.74Å
142S26.5Very low26.8Very low123 Ų123153.2 Ų153.286%0.8679%0.789SS**  trans-76.9123.8180-154.70000110.9I140 R144I140-S142 PolarHBondContact O-N 3.5Å; I140-S142 VanDerWaalsContact O-N 3.11Å; S142-R144 PolarHBondContact O-N 3.03Å
143R23.8Very low26.6Very low230 Ų230153.5 Ų153.587%0.86878%0.781SS**  trans-65.693.6-177.7-177.2-168.6-124.7-150.80.6110.7P141 V145P141-R143 PolarHBondContact O-N 2.74Å; R143-V145 PolarHBondContact O-N 3.23Å
144R28.2Very low26.5Very low237 Ų237151.3 Ų151.389%0.89478%0.779SS**  trans-72.5112.9174.6-173.2172.6-80.7-175.2-4.9110.3S142S142-R144 PolarHBondContact O-N 3.03Å
145V26.2Very low26.3Very low122 Ų122150.5 Ų150.574%0.73978%0.776SS**PPolyproline II helixtrans-70.2136.6175.8175.40000109.8R143R143-V145 PolarHBondContact O-N 3.23Å
146V28.1Very low26.3Very low141 Ų141150.9 Ų150.986%0.85578%0.775SS**PPolyproline II helixtrans-93.2119.1172.1178.90000108.4
147S25.7Very low25.9Very low111 Ų111153.2 Ų153.278%0.77678%0.777SS**PPolyproline II helixtrans-101.1137176.755.60000111.9
148T24Very low26Very low130 Ų130155.3 Ų155.380%0.79878%0.783SS**PPolyproline II helixtrans-83.4139.5-178.149.10000114
149Q23.4Very low25.9Very low192 Ų192151.8 Ų151.890%0.89777%0.773SS**  trans165.9154.5151.8-98.5171.9-19.300108.4
150S21.4Very low26Very low81 Ų81150 Ų15057%0.56677%0.768SS**  cis-168.4168.2-12.3-170.70000108.4
151H23.7Very low26.2Very low163 Ų163148.9 Ų148.976%0.75577%0.77SS**  trans69.7149.9157.5-8423.4000118.6
152R21.8Very low26Very low174 Ų174152 Ų15266%0.65777%0.771SS**  cis-168.2158.5-16.1-127.2-177.3177.1173.70.3109.5
153Q25.1Very low26.1Very low125 Ų125152 Ų15258%0.58477%0.771SS**  trans67.3117147-75.7168.5-32.900119.6
154Q25.4Very low26.2Very low173 Ų173147.1 Ų147.181%0.80876%0.762SS**  79.9141.995.9-73.6176.4-22.700113.1
155S26.5Very low26.2Very low93 Ų93145.3 Ų145.365%0.6576%0.763SS**  cis-166.6171.62359.80000112.8
156K27.1Very low26.3Very low185 Ų185142.9 Ų142.980%0.80476%0.762SS**  trans66.7113.6156.7-65.7162.8-176.5-179.50116.5
157E22.9Very low26.2Very low160 Ų160145.6 Ų145.675%0.74877%0.766SS**  cis66.6108.142.2-159.6174.6-151.300114.1L159E157-L159 HydrophobicContact CG-CD1 3.94Å
158N32.2Very low26.5Very low171 Ų171149 Ų14991%0.91477%0.77SS**  trans-148.2134.7156.5-98.6-30.6000107.5
159L25.9Very low26.7Very low124 Ų124151.3 Ų151.365%0.64977%0.771SS**  trans-101146.8-167.6-67.694.6000112.9E157E157-L159 HydrophobicContact CG-CD1 3.94Å
160I28.8Very low26.9Very low144 Ų144153.7 Ų153.774%0.73877%0.772SS**  40.2124.4126.2-54179.5000116.2
161P32.9Very low27.3Very low124 Ų124155.4 Ų155.481%0.80578%0.779SS**  -142.7161.362.529.8-7.4000119.4
162K26.9Very low27.7Very low190 Ų190157 Ų15783%0.82678%0.784SS**PPolyproline II helixtrans-75.9132.9168.5-58.2171.5179.7177.30109.8
163S28.3Very low28.1Very low122 Ų122155.7 Ų155.785%0.85379%0.79SS**PPolyproline II helixtrans-84.9123.9160.248.40000109.8
164N26.2Very low28.2Very low128 Ų128160.4 Ų160.468%0.68480%0.804SS**PPolyproline II helixtrans-96.9159.5170.3-77.7-20.4000110.6
165H28.2Very low28.4Very low199 Ų199160.3 Ų160.392%0.92180%0.803SS**  trans97.5135.7167.9-57.5-45.5000117.5
166G27.1Very low28.5Very low70 Ų70161.8 Ų161.872%0.72281%0.809SS**  trans131.326.2171.700000117.2Q168G166-Q168 VanDerWaalsContact C-N 3.33Å; G166-Q168 PolarHBondContact O-N 3.21Å
167E27.2Very low28.8Very low198 Ų198159.8 Ų159.893%0.92581%0.806SS**  trans-66.892.3166-74.6-170.5139.300110
168Q31.5Very low29.1Very low183 Ų183157.4 Ų157.486%0.85581%0.807SS**  trans-93.8122164.8-75-162.2-12.800110.3G166 R170G166-Q168 VanDerWaalsContact C-N 3.33Å; G166-Q168 PolarHBondContact O-N 3.21Å; Q168-R170 PolarHBondContact O-N 2.84Å
169H27.3Very low28.9Very low179 Ų179156.8 Ų156.883%0.82980%0.802SS**  trans-57.4107.9176.5-73.8-94.7000111.2T171H169-T171 PolarHBondContact O-N 2.96Å
170R29Very low29.1Very low241 Ų241160 Ų16091%0.90981%0.811SS**  trans-8982.1173.8-153.2174.8-168.2-176.13.9110.3Q168 K172Q168-R170 PolarHBondContact O-N 2.84Å; R170-K172 PolarHBondContact O-N 2.81Å
171T30.1Very low29Very low118 Ų118161.7 Ų161.772%0.72482%0.816SS**  trans-57.7118.2177.9-25.90000110.3H169 N173H169-T171 PolarHBondContact O-N 2.96Å; T171-N173 PolarHBondContact O-N 3Å
172K31.5Very low28.8Very low195 Ų195163.3 Ų163.385%0.84882%0.816SS**  trans-80.997.3174.7-70.5-176.9178.9179.50109R170 Y174R170-K172 PolarHBondContact O-N 2.81Å; K172-Y174 PolarHBondContact O-N 3.45Å
173N29.9Very low28.9Very low148 Ų148159.4 Ų159.479%0.79181%0.81SS**  trans-64.2132.7168.8-79.2-15.3000110T171 H175T171-N173 PolarHBondContact O-N 3Å; N173-H175 PolarHBondContact O-N 3.31Å
174Y27.5Very low29Very low223 Ų223163.3 Ų163.388%0.87581%0.812SS**  trans-64.5121.5169.8-68-90000108.8K172K172-Y174 PolarHBondContact O-N 3.45Å
175H28.6Very low29.2Very low172 Ų172165.8 Ų165.880%0.79682%0.819SS**  trans-88110.4169.6-154.146000107.7N173 D177N173-H175 PolarHBondContact O-N 3.31Å; H175-D177 PolarHBondContact O-N 3.23Å; H175-D177 VanDerWaalsContact O-N 3.16Å
176T29.9Very low29.3Very low124 Ų124161.1 Ų161.176%0.76181%0.809SS**  trans-72.9103.4178-500000108.8S178T176-S178 PolarHBondContact O-N 3.1Å
177D33.5Very low29.3Very low142 Ų142166.3 Ų166.376%0.75982%0.819SS**  trans-57.7125.9177.3-78.9-44.2000110.7H175 I179H175-D177 PolarHBondContact O-N 3.23Å; H175-D177 VanDerWaalsContact O-N 3.16Å; D177-I179 PolarHBondContact O-N 3.05Å
178S27.9Very low29.4Very low110 Ų110162.1 Ų162.177%0.76981%0.807SS**  trans-65.6121.7-173.7-74.10000111.6T176 K180T176-S178 PolarHBondContact O-N 3.1Å; S178-K180 PolarHBondContact O-N 3.37Å
179I29.3Very low29.2Very low158 Ų158156.8 Ų156.881%0.8180%0.802SS**  trans-62.398.3165.1-60.9172000107.7D177 Q181D177-I179 PolarHBondContact O-N 3.05Å; I179-Q181 PolarHBondContact O-N 2.99Å
180K29.6Very low29.2Very low191 Ų191155.2 Ų155.283%0.8380%0.799SS**  trans-63.5108.6169.3-80.3-173.2174.4-178.50108.3S178 I182S178-K180 PolarHBondContact O-N 3.37Å; K180-I182 PolarHBondContact O-N 3.24Å
181Q26.1Very low29.1Very low181 Ų181152.5 Ų152.585%0.84680%0.797SS**PPolyproline II helixtrans-61.2119.2174.6-64.6178.35.200109.2I179I179-Q181 PolarHBondContact O-N 2.99Å
182I28.8Very low28.9Very low158 Ų158155.5 Ų155.581%0.8181%0.805SS**PPolyproline II helixtrans-79.9123.8159.8-62.7174.2000105.7K180 K184K180-I182 PolarHBondContact O-N 3.24Å; I182-K184 PolarHBondContact O-N 3.34Å
183P30.3Very low28.7Very low107 Ų107154.7 Ų154.770%0.69580%0.801SS**PPolyproline II helixtrans-63135.9-17724.9-33000110.7E185P183-E185 PolarHBondContact O-N 3.05Å; P183-E185 VanDerWaalsContact O-N 3.14Å
184K30.4Very low28.7Very low205 Ų205155.2 Ų155.289%0.89180%0.804SS**  trans-75.497.9170.7-67.5177.6179.91770108.2I182 S186I182-K184 PolarHBondContact O-N 3.34Å; K184-S186 PolarHBondContact O-N 3.19Å
185E29.8Very low28.7Very low180 Ų180154.5 Ų154.584%0.84180%0.801SS**  trans-61.2124.5164.3-71.7-176.2162.600108.9P183 L187P183-E185 PolarHBondContact O-N 3.05Å; P183-E185 VanDerWaalsContact O-N 3.14Å; E185-L187 PolarHBondContact O-N 3.13Å
186S29.4Very low28.7Very low100 Ų100154.1 Ų154.170%0.69980%0.799SS**  trans-74.4113.3-175.141.30000110.3K184 T188K184-S186 PolarHBondContact O-N 3.19Å; S186-T188 VanDerWaalsContact C-N 3.26Å; S186-T188 PolarHBondContact O-N 3.23Å
187L27.4Very low28.7Very low180 Ų180155.6 Ų155.694%0.94280%0.802SS**  trans-63.292.3161.1-88.1110.9000109.1E185 G189E185-L187 PolarHBondContact O-N 3.13Å; L187-G189 PolarHBondContact O-N 2.91Å; L187-G189 VanDerWaalsContact O-N 3.14Å
188T30Very low28.3Very low110 Ų110155 Ų15568%0.67580%0.799SS**  trans-69102.7164.9280000107.9S186 N190S186-T188 VanDerWaalsContact C-N 3.26Å; S186-T188 PolarHBondContact O-N 3.23Å; T188-N190 VanDerWaalsContact C-N 3.3Å; T188-N190 PolarHBondContact O-N 3.03Å
189G27.1Very low28.2Very low71 Ų71156.8 Ų156.873%0.73280%0.8SS**  trans-67.884.6176.900000111.4L187 Q191L187-G189 PolarHBondContact O-N 2.91Å; L187-G189 VanDerWaalsContact O-N 3.14Å; G189-Q191 PolarHBondContact O-N 2.84Å
190N27.4Very low28.1Very low145 Ų145156.7 Ų156.778%0.77580%0.795SS**  trans-68.5113171.9-81.1-22000109.8T188 M192T188-N190 VanDerWaalsContact C-N 3.3Å; T188-N190 PolarHBondContact O-N 3.03Å; N190-M192 PolarHBondContact O-N 3Å
191Q27.1Very low28.1Very low184 Ų184155.9 Ų155.986%0.8680%0.8SS**  trans-67.599.9177.4-61.1176.12.300110G189G189-Q191 PolarHBondContact O-N 2.84Å
192M24.9Very low28Very low182 Ų182151.8 Ų151.890%0.89779%0.791SS**PPolyproline II helixtrans-79.2124.7165-88-17570.800110N190N190-M192 PolarHBondContact O-N 3Å
193K28.8Very low27.8Very low178 Ų178151.5 Ų151.577%0.77479%0.79SS**PPolyproline II helixtrans-70.4140.4-167.6-63.4168.7179.3175.10111.5Y195K193-Y195 PolarHBondContact O-N 3.44Å
194N28.5Very low27.8Very low158 Ų158154.7 Ų154.785%0.84580%0.8SS**PPolyproline II helixtrans-59.7116.7163.2-79.8-27.5000109.2H196N194-H196 PolarHBondContact O-N 2.83Å
195Y27.9Very low27.6Very low208 Ų208148.3 Ų148.382%0.81679%0.786SS**  trans-82.4109.6166.2-81.3-86.1000109.3K193 L197K193-Y195 PolarHBondContact O-N 3.44Å; Y195-L197 PolarHBondContact O-N 3.3Å
196H28.7Very low27.4Very low164 Ų164148 Ų14876%0.75979%0.785SS**  trans-66.4112161.4-86.8-80.5000108.8N194N194-H196 PolarHBondContact O-N 2.83Å
197L29Very low27.3Very low155 Ų155150.4 Ų150.481%0.81279%0.79SS**  trans-105.181.3157.5-91.4162000108.3Y195 N199Y195-L197 PolarHBondContact O-N 3.3Å; L197-N199 PolarHBondContact O-N 3.05Å
198N25.7Very low27.4Very low131 Ų131147.8 Ų147.870%0.70178%0.784SS**  trans-62.5125150.2-71.2-17.8000106.3
199N26.5Very low27.3Very low146 Ų146148.7 Ų148.778%0.78179%0.789SS**  trans-139.6140.6152.3-147.7-4.8000110.8L197L197-N199 PolarHBondContact O-N 3.05Å
200H27.5Very low27.1Very low156 Ų156156.9 Ų156.972%0.72280%0.798SS**  trans-80.3142.3-169.1-63.4-105.9000109.9
201N29.8Very low27.2Very low175 Ų175156.9 Ų156.994%0.93680%0.796SS**  trans-135.4117.8144.5-103-28.6000108.6
202S23.1Very low27.2Very low94 Ų94156.6 Ų156.666%0.65780%0.795SS**  trans-96.9138.5-17151.30000111.6
203I24.8Very low27.3Very low152 Ų152157.1 Ų157.178%0.77980%0.795SS**  trans55.8105.6135.1-54.9167.4000117A205I203-A205 HydrophobicContact CG2-CB 4.49Å
204L29.8Very low27.4Very low174 Ų174156.8 Ų156.891%0.91180%0.801SS**  trans-166.488.6138.3-100.9159.9000105.2
205A25.5Very low27.1Very low72 Ų72152.6 Ų152.660%0.59580%0.795SS**  67.9104.366.900000113.4I203I203-A205 HydrophobicContact CG2-CB 4.49Å
206E26Very low27.1Very low173 Ų173148 Ų14881%0.80879%0.792SS**  trans60111.2152.9-57.6-177.5140.900120.2
207N28.3Very low27Very low151 Ų151148.2 Ų148.281%0.80780%0.799SS**  -170131.197.6-100.6-72.3000112.1
208P28.5Very low27.1Very low125 Ų125146.9 Ų146.981%0.81280%0.798SS**  trans-94.7114.9-178.834.1-30.9000112.8
209T27.6Very low27.1Very low129 Ų129145.8 Ų145.879%0.79180%0.8SS**  trans-102.8111.3168-26.40000110.3I211T209-I211 PolarHBondContact O-N 3.3Å
210R23.2Very low27.2Very low242 Ų242143.2 Ų143.291%0.91379%0.793SS**  trans-65.9126.1169.1-73.1176.3169.2-169.6-3109.9
211I29.6Very low27.4Very low145 Ų145144.2 Ų144.274%0.74480%0.798SS**  trans-143119.2140.2-81.7111.3000108.5T209T209-I211 PolarHBondContact O-N 3.3Å
212E28.2Very low27.5Very low178 Ų178143.7 Ų143.783%0.83279%0.79SS**  trans41.2126.1147.6-59.1179.5156.300122.3L214E212-L214 PolarHBondContact O-N 3.42Å
213Q26.4Very low28.2Very low194 Ų194145 Ų14591%0.90779%0.794SS**  trans-74.6107.1174.1-63.5161.9-40.200111
214L30Very low28.4Very low171 Ų171146.7 Ų146.790%0.89580%0.796SS**  trans-100.482.1154.7-74.6174.2000109.3E212 C216E212-L214 PolarHBondContact O-N 3.42Å; L214-C216 PolarHBondContact O-N 2.79Å; L214-C216 VanDerWaalsContact O-N 3.1Å
215G23.7Very low28.5Very low70 Ų70145.2 Ų145.272%0.72279%0.789SS**  trans-71.298.1174.900000111.3
216C28.2Very low28.8Very low112 Ų112151.1 Ų151.176%0.75780%0.801SS**  trans-11998.5164.5-80.80000109.3L214 T218L214-C216 PolarHBondContact O-N 2.79Å; L214-C216 VanDerWaalsContact O-N 3.1Å; C216-T218 PolarHBondContact O-N 2.78Å
217N26.4Very low29Very low167 Ų167152.7 Ų152.789%0.89381%0.805SS**  trans-7292.7176.8-71.4-31.4000110.6
218T29.8Very low29.2Very low128 Ų128153.6 Ų153.679%0.78581%0.809SS**  trans-112.865.1162.841.20000111.1C216 S220C216-T218 PolarHBondContact O-N 2.78Å; T218-S220 PolarHBondContact O-N 2.91Å; T218-S220 VanDerWaalsContact O-N 3.15Å
219S25.8Very low29.2Very low108 Ų108156.3 Ų156.376%0.75581%0.811SS**  trans-69.3100.4157.3-178.70000108.6
220S29.6Very low29.3Very low91 Ų91161.4 Ų161.464%0.63682%0.816SS**  trans-148-1.5171.3-72.70000114.1T218T218-S220 PolarHBondContact O-N 2.91Å; T218-S220 VanDerWaalsContact O-N 3.15Å
221Q30.3Very low29.7Very low177 Ų177156.7 Ų156.783%0.82781%0.809SS**THydrogen-bonded Turntrans-76.9-20.5-178.7-149.872.919.300113.7
222E32.3Very low29.6Very low165 Ų165158.3 Ų158.377%0.77181%0.813SS**THydrogen-bonded Turntrans-84.1-16-175.5-75.8-159.8129.900115.4F224E222-F224 VanDerWaalsContact C-N 3.34Å; E222-F224 PolarHBondContact O-N 3.48Å
223V37.6Very low29.7Very low120 Ų120155.2 Ų155.273%0.72781%0.806SS**G310 helixtrans-75.1-25.7-177.7-1780000112N225V223-N225 VanDerWaalsContact C-N 3.31Å; V223-N225 PolarHBondContact O-N 2.88Å
224F30.2Very low29.9Very low189 Ų189152.7 Ų152.783%0.82980%0.799SS**G310 helixtrans-73.1-18.6-173.5-128.5-90000114.7E222E222-F224 VanDerWaalsContact C-N 3.34Å; E222-F224 PolarHBondContact O-N 3.48Å
225N30.9Very low29.9Very low142 Ų142149 Ų14976%0.75979%0.788SS**G310 helixtrans-91.10-176.5-78.9-17.9000115.3V223V223-N225 VanDerWaalsContact C-N 3.31Å; V223-N225 PolarHBondContact O-N 2.88Å
226K31.3Very low30.4Very low197 Ų197154.6 Ų154.686%0.85779%0.792SS**SBendtrans-105.2-1-179.2-77.6-175.7178.6172.10116.4
227K31.7Very low30.4Very low205 Ų205159.9 Ų159.989%0.89180%0.796SS**SBendtrans-102.4-3.3177.8-97.3-175.7176.3179.80116.4
228L31.2Very low30.8Very low170 Ų170158.9 Ų158.989%0.8979%0.791SS**SBendtrans-102.48.4-176.1-136.385.3000115.8
229Q28.7Very low31Very low182 Ų182162 Ų16285%0.8579%0.793SS**SBendtrans-134.260.4-171-155177.260.100114.2
230R29.3Very low31.4Very low237 Ų237165 Ų16589%0.89480%0.796SS**SBendtrans-155.2156.6155.7-113.4165.4-173.3164.71.9110.8
231N31.9Very low31.5Very low142 Ų142167.5 Ų167.576%0.75980%0.8SS**  trans74.439.7178.7-52-10.9000116.6T233N231-T233 PolarHBondContact O-N 3.06Å
232Q28Very low31.6Very low180 Ų180167 Ų16784%0.84180%0.795SS**  trans-78.157149-161.9174.873.400109.7N234Q232-N234 PolarHBondContact O-N 3.22Å; Q232-N234 VanDerWaalsContact O-N 3.12Å
233T30.8Very low31.7Very low112 Ų112169.7 Ų169.769%0.68780%0.799SS**  trans-74.1104.4178.3-20.60000107.6N231 S235N231-T233 PolarHBondContact O-N 3.06Å; T233-S235 PolarHBondContact O-N 3.36Å
234N31.3Very low31.3Very low142 Ų142174 Ų17476%0.75980%0.803SS**  trans-68.764.9177.3-76.4-40.9000111.4Q232 K236Q232-N234 PolarHBondContact O-N 3.22Å; Q232-N234 VanDerWaalsContact O-N 3.12Å; N234-K236 PolarHBondContact O-N 3.44Å
235S29.2Very low31.5Very low93 Ų93174.2 Ų174.265%0.6580%0.804SS**  trans-67.7100.3168.7-178.70000108.1T233 R237T233-S235 PolarHBondContact O-N 3.36Å; S235-R237 VanDerWaalsContact C-N 3.26Å; S235-R237 PolarHBondContact O-N 2.89Å
236K33.7Very low31.6Very low187 Ų187174.1 Ų174.181%0.81380%0.803SS**  trans-58.593.6162.3-70.7178177.7177.20107.5N234 D238N234-K236 PolarHBondContact O-N 3.44Å; K236-D238 PolarHBondContact O-N 3.39Å
237R29.3Very low31.6Very low224 Ų224173.2 Ų173.285%0.84580%0.801SS**  trans-70.482.8165.7-72-164.2-166.6114-0.9108.5S235 K239S235-R237 VanDerWaalsContact C-N 3.26Å; S235-R237 PolarHBondContact O-N 2.89Å; R237-K239 PolarHBondContact O-N 3.13Å
238D34Very low31.6Very low145 Ų145169.6 Ų169.678%0.77579%0.792SS**  trans-53.3111.2154.2-78.2-35000106.9K236 Q240K236-D238 PolarHBondContact O-N 3.39Å; D238-Q240 PolarHBondContact O-N 2.93Å
239K34.9Very low31.6Very low194 Ų194170.4 Ų170.484%0.84379%0.788SS**  trans-6790174-73.3179.9178.61760107R237 I241R237-K239 PolarHBondContact O-N 3.13Å; K239-I241 VanDerWaalsContact C-N 3.26Å; K239-I241 PolarHBondContact O-N 2.93Å
240Q32.5Very low31.7Very low172 Ų172173.1 Ų173.180%0.80479%0.791SS**  trans-57.197.4164.7-87.8-167.13.800107.7D238 K242D238-Q240 PolarHBondContact O-N 2.93Å; Q240-K242 VanDerWaalsContact C-N 3.27Å; Q240-K242 PolarHBondContact O-N 3.12Å
241I31.7Very low31.7Very low143 Ų143168.3 Ų168.373%0.73378%0.782SS**  trans-63.597.6166.7-64.9168.8000105K239 R243K239-I241 VanDerWaalsContact C-N 3.26Å; K239-I241 PolarHBondContact O-N 2.93Å; I241-R243 HydrophobicContact CG2-CG 4.22Å; I241-R243 PolarHBondContact O-N 3.01Å
242K34.2Very low31.6Very low166 Ų166164.7 Ų164.772%0.72278%0.778SS**  trans-61.585.3170.1-75.7-173176.9-178.60107.6Q240 Y244Q240-K242 VanDerWaalsContact C-N 3.27Å; Q240-K242 PolarHBondContact O-N 3.12Å; K242-Y244 VanDerWaalsContact C-N 3.35Å; K242-Y244 WeakPolarHBondContact O-CD2 3.44Å; K242-Y244 PolarHBondContact O-N 2.94Å
243R33.4Very low31.8Very low222 Ų222165.1 Ų165.184%0.83878%0.777SS**  trans-63.1100.7169.3-71.7-175.6-179.7173.51106.2I241 K245I241-R243 HydrophobicContact CG2-CG 4.22Å; I241-R243 PolarHBondContact O-N 3.01Å; R243-K245 VanDerWaalsContact C-N 3.27Å; R243-K245 PolarHBondContact O-N 3.03Å
244Y29.7Very low31.9Very low210 Ų210167.4 Ų167.482%0.82479%0.785SS**  trans-57.995.2168.2-71.9-91.3000107.8K242 L246K242-Y244 VanDerWaalsContact C-N 3.35Å; K242-Y244 WeakPolarHBondContact O-CD2 3.44Å; K242-Y244 PolarHBondContact O-N 2.94Å; Y244-L246 PolarHBondContact O-N 2.93Å
245K34.5Very low31.9Very low194 Ų194169.3 Ų169.384%0.84379%0.787SS**  trans-65.591.7163.7-77.4-176.1177.4177.80105.8R243 Q247R243-K245 VanDerWaalsContact C-N 3.27Å; R243-K245 PolarHBondContact O-N 3.03Å; K245-Q247 PolarHBondContact O-N 2.92Å
246L32.6Very low31.9Very low140 Ų140173.3 Ų173.373%0.73380%0.795SS**  trans-53.1114.8167.2-132.786.8000106Y244 N248Y244-L246 PolarHBondContact O-N 2.93Å; L246-N248 PolarHBondContact O-N 3.09Å
247Q31.2Very low31.8Very low178 Ų178169.7 Ų169.783%0.83279%0.794SS**  trans-71.379.3173.2-71.5-176.3-0.900107.4K245 K249K245-Q247 PolarHBondContact O-N 2.92Å; Q247-K249 PolarHBondContact O-N 3.19Å
248N32.5Very low31.8Very low128 Ų128168.5 Ų168.568%0.68480%0.795SS**  trans-61.194.1160.9-77.3-11.8000106L246 R250L246-N248 PolarHBondContact O-N 3.09Å; N248-R250 PolarHBondContact O-N 2.91Å
249K31.1Very low31.7Very low188 Ų188167.8 Ų167.882%0.81780%0.796SS**  trans-52.499161.8-81.7-176173.6-178.70105.8Q247 L251Q247-K249 PolarHBondContact O-N 3.19Å; K249-L251 VanDerWaalsContact C-N 3.28Å; K249-L251 PolarHBondContact O-N 2.99Å
250R29.4Very low31.4Very low239 Ų239165.6 Ų165.690%0.90279%0.793SS**  trans-62.199.5167.4-77.6-178.1170.2-175.7-4105N248 G252N248-R250 PolarHBondContact O-N 2.91Å; R250-G252 VanDerWaalsContact C-N 3.34Å; R250-G252 PolarHBondContact O-N 2.77Å
251L30.8Very low31.2Very low136 Ų136167.5 Ų167.571%0.71280%0.795SS**  trans-55.7108.5158.4-110.470000105.2K249 F253K249-L251 VanDerWaalsContact C-N 3.28Å; K249-L251 PolarHBondContact O-N 2.99Å; L251-F253 HydrophobicContact CB-CE2 4.46Å; L251-F253 PolarHBondContact O-N 3.27Å; L251-F253 VanDerWaalsContact O-N 3.09Å
252G28.7Very low31.1Very low66 Ų66169.1 Ų169.168%0.6880%0.801SS**  trans-64109166.600000106.5R250R250-G252 VanDerWaalsContact C-N 3.34Å; R250-G252 PolarHBondContact O-N 2.77Å
253F32.4Very low30.8Very low188 Ų188166.2 Ų166.283%0.82579%0.793SS**PPolyproline II helixtrans-78.9116.5158.4-83.8-83.7000106.4L251L251-F253 HydrophobicContact CB-CE2 4.46Å; L251-F253 PolarHBondContact O-N 3.27Å; L251-F253 VanDerWaalsContact O-N 3.09Å
254D33.1Very low30.6Very low160 Ų160161.9 Ų161.986%0.85679%0.792SS**PPolyproline II helixtrans-62.2156.3179.3-78.8-52.6000112.1
255K30.5Very low30.5Very low182 Ų182158.7 Ų158.779%0.79178%0.784SS**PPolyproline II helixtrans-70136.3-164.1-62174.7-179.6175.60113.1
256E28.8Very low30Very low177 Ų177160.6 Ų160.683%0.82779%0.788SS**  trans46.778.6131.9-58.1174.5127.300117.7
257S33.2Very low29.7Very low112 Ų112159.3 Ų159.378%0.78379%0.789SS**  trans-82.1113.1147.261.90000109.3T259S257-T259 PolarHBondContact O-N 3.07Å
258K28.4Very low29.4Very low198 Ų198155.7 Ų155.786%0.86178%0.784SS**  trans-47.4131.3177.2-61.4165.7-179.6173.10112
259T31.8Very low29.2Very low131 Ų131158.2 Ų158.280%0.80479%0.794SS**  trans-131.4130160.648.80000109.1S257S257-T259 PolarHBondContact O-N 3.07Å
260D29.2Very low29Very low147 Ų147155.7 Ų155.779%0.78679%0.789SS**  trans-70.6141.3-158.4-63.4-67000115.5M262D260-M262 PolarHBondContact O-N 2.94Å; D260-M262 VanDerWaalsContact O-N 3.08Å
261Y26.9Very low28.8Very low213 Ų213152.1 Ų152.184%0.83579%0.788SS**  trans-84.975.6-174.5-153.9-91.9000110.4N263Y261-N263 VanDerWaalsContact C-N 3.3Å; Y261-N263 HydrophobicContact CD1-CB 4.29Å; Y261-N263 PolarHBondContact O-N 2.81Å
262M30.9Very low28.5Very low176 Ų176151 Ų15187%0.86779%0.791SS**  trans-76.984.6173.9-77.6-64.5179.800111.2D260D260-M262 PolarHBondContact O-N 2.94Å; D260-M262 VanDerWaalsContact O-N 3.08Å
263N28.6Very low28.5Very low105 Ų105157.3 Ų157.356%0.56180%0.8SS**  trans-68.3132.8172.5179.314.1000111.1Y261Y261-N263 VanDerWaalsContact C-N 3.3Å; Y261-N263 HydrophobicContact CD1-CB 4.29Å; Y261-N263 PolarHBondContact O-N 2.81Å
264T27.9Very low28Very low132 Ų132154.9 Ų154.981%0.8180%0.801SS**  trans-151.6104.2157.4-9.80000111.6
265Q28.6Very low27.6Very low142 Ų142153 Ų15366%0.66480%0.799SS**  trans-37.6140.7160.2-64.7147.4-17.900111.2
266Y23.7Very low27.4Very low235 Ų235148.9 Ų148.992%0.92280%0.799SS**  cis587432.7-124-78000113.9
267C26.6Very low27.3Very low112 Ų112149.5 Ų149.576%0.75780%0.799SS**  trans-117.3142.1166.6-700000110.8
268S23.9Very low27.1Very low102 Ų102153 Ų15371%0.71380%0.8SS**  trans-70.8153.5-170.9-163.80000113.3
269M28.1Very low27Very low181 Ų181150 Ų15089%0.89279%0.793SS**  trans-85.6108.2164-71.6-153.480.300109.9
270D26.6Very low26.9Very low136 Ų136153 Ų15373%0.72780%0.795SS**  trans-131.3109.7161.2-79.1-63.7000109.1
271N25.9Very low26.6Very low163 Ų163151.4 Ų151.487%0.87280%0.796SS**  trans-166.3109.3144.2-106.1-45.7000110.8K273N271-K273 PolarHBondContact O-N 2.92Å
272S24Very low26.6Very low112 Ų112145.7 Ų145.778%0.78379%0.787SS**  trans-63.6124.2169.639.50000110.7
273K28.6Very low26.2Very low199 Ų199143.2 Ų143.287%0.86578%0.782SS**  trans-119100.8159.4-83-171.1174.6-179.30109.9N271 C275N271-K273 PolarHBondContact O-N 2.92Å; K273-C275 PolarHBondContact O-N 3.44Å
274T23.2Very low26Very low138 Ų138148.5 Ų148.585%0.84780%0.796SS**  trans-59.9124.9165.832.20000110.2
275C25Very low25.8Very low121 Ų121147.6 Ų147.682%0.81879%0.79SS**  trans-141.9112.8167.5-92.40000110.8K273K273-C275 PolarHBondContact O-N 3.44Å
276A26.5Very low25.6Very low95 Ų95147 Ų14779%0.78580%0.797SS**  trans38.310615600000118.8K278A276-K278 PolarHBondContact O-N 3.26Å
277K25.1Very low25.8Very low189 Ų189143.9 Ų143.982%0.82280%0.796SS**  trans-54135.2146.8-65.7178.5177.3-178.60108.8
278K29.4Very low25.7Very low185 Ų185141.2 Ų141.280%0.80479%0.788SS**  trans-124.4100.6159.7-103.2-174.5173.9-178.20107.9A276 F280A276-K278 PolarHBondContact O-N 3.26Å; K278-F280 PolarHBondContact O-N 3.44Å
279D26.2Very low25.7Very low136 Ų136143.7 Ų143.773%0.72779%0.793SS**  trans-71.6120.1178.1-52.3-69.2000109.4
280F29.5Very low25.8Very low193 Ų193144.5 Ų144.585%0.84679%0.791SS**  trans-134.693158.7-88.7-71000108.7K278 S282K278-F280 PolarHBondContact O-N 3.44Å; F280-S282 PolarHBondContact O-N 3.27Å
281S22.4Very low25.8Very low114 Ų114145.7 Ų145.780%0.79780%0.798SS**  trans-66.3116.5162.2550000108.9
282S27.7Very low25.9Very low93 Ų93146.2 Ų146.265%0.6580%0.8SS**  trans-120.986161.8-176.70000108.3F280 Y284F280-S282 PolarHBondContact O-N 3.27Å; S282-Y284 PolarHBondContact O-N 2.92Å
283T22.6Very low26Very low125 Ų125149.1 Ų149.177%0.76780%0.801SS**  trans-64.699.1167.145.40000109.3
284Y25.5Very low26Very low215 Ų215148.7 Ų148.784%0.84380%0.802SS**  trans-98.3111.7157.3-93.9-79.8000109.1S282S282-Y284 PolarHBondContact O-N 2.92Å
285T23.6Very low26.3Very low113 Ų113151 Ų15169%0.69380%0.8SS**  trans-78.3143.2-178.833.90000111.6
286T23.5Very low26.5Very low131 Ų131151 Ų15180%0.80480%0.796SS**  trans38.9107.5145.558.30000118.3
287N28.6Very low26.7Very low168 Ų168152.4 Ų152.490%0.89880%0.796SS**  -142.3126.9129.5-145.3-10.2000111
288G22.8Very low26.9Very low57 Ų57150 Ų15059%0.58879%0.792SS**  trans-88.2-173.1179.100000112.5
289N24.7Very low27Very low154 Ų154149.1 Ų149.182%0.82480%0.795SS**  trans63.299.4175.5-64.4-24.7000116.5
290K30.5Very low27.3Very low197 Ų197147.4 Ų147.486%0.85779%0.793SS**  -169.3144.1100.1-93.4147.1-169.1176.80111.5L292K290-L292 PolarHBondContact O-N 3.43Å; K290-L292 VanDerWaalsContact O-N 3.13Å
291N25.5Very low27.5Very low162 Ų162145.8 Ų145.887%0.86679%0.793SS**  trans-36.6109.4177.3-66.5-33.8000113.9Q293N291-Q293 VanDerWaalsContact C-N 3.28Å; N291-Q293 PolarHBondContact O-N 2.9Å; N291-Q293 VanDerWaalsContact O-N 3.13Å
292L29Very low27.9Very low173 Ų173148.8 Ų148.891%0.90680%0.797SS**  trans-77.189.8152.3-92.4102.9000107.9K290 E294K290-L292 PolarHBondContact O-N 3.43Å; K290-L292 VanDerWaalsContact O-N 3.13Å; L292-E294 PolarHBondContact O-N 3.48Å
293Q25.3Very low27.9Very low174 Ų174149.5 Ų149.581%0.81380%0.797SS**  trans-72.3106.7165.2-167.1168.72600107.2N291 K295N291-Q293 VanDerWaalsContact C-N 3.28Å; N291-Q293 PolarHBondContact O-N 2.9Å; N291-Q293 VanDerWaalsContact O-N 3.13Å; Q293-K295 PolarHBondContact O-N 2.98Å
294E29.6Very low28.2Very low189 Ų189150.1 Ų150.188%0.88380%0.796SS**  trans-58.2105175.7-74-173.5130.100109.5L292 T296L292-E294 PolarHBondContact O-N 3.48Å; E294-T296 PolarHBondContact O-N 3.02Å; E294-T296 VanDerWaalsContact O-N 3.13Å
295K29.7Very low28.4Very low187 Ų187145.2 Ų145.281%0.81379%0.793SS**  trans-72.5104.7168.2-84.7-176.3171.7-179.20108.1Q293 T297Q293-K295 PolarHBondContact O-N 2.98Å; K295-T297 PolarHBondContact O-N 3.39Å; K295-T297 PolarHBondContact O-OG1 2.84Å
296T28.1Very low28.7Very low120 Ų120145.9 Ų145.974%0.73680%0.797SS**  trans-46.1111.6159.243.70000108.5E294 D298E294-T296 PolarHBondContact O-N 3.02Å; E294-T296 VanDerWaalsContact O-N 3.13Å; T296-D298 VanDerWaalsContact C-N 3.29Å; T296-D298 PolarHBondContact O-N 3.04Å
297T32.3Very low29.2Very low126 Ų126147.8 Ų147.877%0.77380%0.801SS**  trans-78.687-178.8-53.10000107.7K295 L299K295-T297 PolarHBondContact O-N 3.39Å; K295-T297 PolarHBondContact O-OG1 2.84Å; T297-L299 PolarHBondContact O-N 3.04Å
298D29Very low29.2Very low138 Ų138145 Ų14574%0.73880%0.795SS**  trans-55.4112.2170.6-76.5-38000108.5T296 S300T296-D298 VanDerWaalsContact C-N 3.29Å; T296-D298 PolarHBondContact O-N 3.04Å; D298-S300 PolarHBondContact O-N 2.9Å
299L31.3Very low29.6Very low167 Ų167153.5 Ų153.587%0.87481%0.809SS**  trans-69.871.1174.8-87.3148.5000109.2T297 L301T297-L299 PolarHBondContact O-N 3.04Å; L299-L301 PolarHBondContact O-N 3.45Å; L299-L301 VanDerWaalsContact O-N 3.14Å
300S32.8Very low29.9Very low99 Ų99151.2 Ų151.269%0.69280%0.803SS**  trans-56.7118.2168.557.60000108.5D298 M302D298-S300 PolarHBondContact O-N 2.9Å; S300-M302 PolarHBondContact O-N 3.09Å
301L33.7Very low29.9Very low159 Ų159146.6 Ų146.683%0.83280%0.801SS**  trans-60.5102172.9-80.6151.2000108L299 T303L299-L301 PolarHBondContact O-N 3.45Å; L299-L301 VanDerWaalsContact O-N 3.14Å; L301-T303 PolarHBondContact O-N 3.37Å; L301-T303 PolarHBondContact O-OG1 3.47Å
302M30.1Very low30.4Very low178 Ų178144.7 Ų144.788%0.87780%0.795SS**  trans-62.477.6170.1-80.6174.258.800110.1S300S300-M302 PolarHBondContact O-N 3.09Å
303T27.2Very low30.3Very low107 Ų107141 Ų14166%0.65678%0.784SS**  trans-72.7154.6155.942.40000108.4L301L301-T303 PolarHBondContact O-N 3.37Å; L301-T303 PolarHBondContact O-OG1 3.47Å
304N29.3Very low30.5Very low139 Ų139140.5 Ų140.574%0.74379%0.787SS**  trans77.267.3177.1-43.4-38000115.7
305S29.4Very low30.6Very low111 Ų111135.7 Ų135.778%0.77678%0.775SS**  trans-117.372.2138.6-68.60000108.4L307S305-L307 VanDerWaalsContact C-N 3.32Å; S305-L307 PolarHBondContact O-N 3.35Å
306T31.1Very low30.5Very low127 Ų127134 Ų13478%0.77977%0.773SS**  trans-6197.6166.430.80000107.9S308T306-S308 PolarHBondContact O-N 2.8Å
307L32.8Very low30.5Very low172 Ų172133.5 Ų133.590%0.90177%0.773SS**  trans-61.299.4-178.8-161.977.1000108.9S305 R309S305-L307 VanDerWaalsContact C-N 3.32Å; S305-L307 PolarHBondContact O-N 3.35Å; L307-R309 PolarHBondContact O-N 3.43Å
308S29.4Very low30.5Very low109 Ų109134.9 Ų134.976%0.76277%0.77SS**  trans-62107.7-176.7380000109.2T306 P310T306-S308 PolarHBondContact O-N 2.8Å; S308-P310 WeakPolarHBondContact O-CD 3.45Å
309R30.3Very low30.6Very low236 Ų236136.6 Ų136.689%0.89178%0.776SS**  trans-60.7123.9-178.3-162.1176.6-168.9-1772.8108.3L307 A311L307-R309 PolarHBondContact O-N 3.43Å; R309-A311 PolarHBondContact O-N 3.02Å; R309-A311 VanDerWaalsContact O-N 3.08Å
310P32.1Very low30.5Very low106 Ų106137.5 Ų137.569%0.68877%0.769SS**  trans-58.7118.4-175.7-26.334.6000111.1S308 T312S308-P310 WeakPolarHBondContact O-CD 3.45Å; P310-T312 HydrophobicContact CB-CG2 4.43Å; P310-T312 PolarHBondContact O-N 3.41Å
311A30.5Very low30.7Very low99 Ų99141.5 Ų141.582%0.81878%0.777SS**  trans-74.679.6167.600000108.2R309 S313R309-A311 PolarHBondContact O-N 3.02Å; R309-A311 VanDerWaalsContact O-N 3.08Å; A311-S313 VanDerWaalsContact C-N 3.29Å; A311-S313 PolarHBondContact O-N 3.33Å
312T34.6Very low30.4Very low122 Ų122141.5 Ų141.575%0.74877%0.772SS**  trans-68.592.5171.448.30000108.7P310 N314P310-T312 HydrophobicContact CB-CG2 4.43Å; P310-T312 PolarHBondContact O-N 3.41Å; T312-N314 PolarHBondContact O-N 3.24Å
313S28.5Very low30.7Very low97 Ų97142.7 Ų142.768%0.67877%0.772SS**  trans-56.4128.6173.250.10000110.7A311 S315A311-S313 VanDerWaalsContact C-N 3.29Å; A311-S313 PolarHBondContact O-N 3.33Å; S313-S315 VanDerWaalsContact C-N 3.33Å; S313-S315 PolarHBondContact O-N 3.28Å
314N29.2Very low30.9Very low162 Ų162147.2 Ų147.287%0.86678%0.783SS**  trans-66.288.2170.7-70.5-29.9000110.3T312T312-N314 PolarHBondContact O-N 3.24Å
315S30.9Very low31Very low89 Ų89145.5 Ų145.562%0.62278%0.782SS**  trans-103.189.2163.859.30000109.1S313 C317S313-S315 VanDerWaalsContact C-N 3.33Å; S313-S315 PolarHBondContact O-N 3.28Å; S315-C317 PolarHBondContact O-N 2.84Å
316I28.1Very low31.1Very low151 Ų151147.8 Ų147.877%0.77479%0.785SS**  trans-71.278.2166.7-60.8173000107Q318I316-Q318 HydrophobicContact CG2-CG 4.33Å; I316-Q318 PolarHBondContact O-N 3.07Å
317C28.7Very low31Very low109 Ų109147.5 Ų147.574%0.73679%0.789SS**  trans-80.197.2168.8-80.40000108.7S315 M319S315-C317 PolarHBondContact O-N 2.84Å; C317-M319 PolarHBondContact O-N 2.85Å
318Q30.9Very low30.9Very low155 Ų155146.9 Ų146.972%0.72479%0.785SS**  trans-61.499.3168.3-61.4174.13.600109.4I316 Y320I316-Q318 HydrophobicContact CG2-CG 4.33Å; I316-Q318 PolarHBondContact O-N 3.07Å; Q318-Y320 HydrophobicContact CB-CD2 4.36Å
319M31.6Very low30.9Very low174 Ų174152 Ų15286%0.85779%0.788SS**  trans-102.280.6158.3-74.3-142.3-5400109.6C317 H321C317-M319 PolarHBondContact O-N 2.85Å; M319-H321 PolarHBondContact O-N 3Å
320Y29.9Very low30.9Very low187 Ų187145.3 Ų145.373%0.73378%0.777SS**  trans-61.4113.3153.4-83.8-100.7000108.4Q318Q318-Y320 HydrophobicContact CB-CD2 4.36Å
321H36Very low31Very low183 Ų183147.4 Ų147.485%0.84778%0.783SS**  trans-144.8125.3143.7-88.6-58000111.6M319M319-H321 PolarHBondContact O-N 3Å
322H28.8Very low31.1Very low159 Ų159149 Ų14974%0.73678%0.778SS**  trans-45.9138.8174.2-80.8-124.6000113.6
323K35.2Very low31.2Very low202 Ų202151.2 Ų151.288%0.87878%0.779SS**  -153.5114.1120.1-106.6157.6-171.6-179.10110.2S325K323-S325 PolarHBondContact O-N 3.32Å
324K31.8Very low31.7Very low202 Ų202154.4 Ų154.488%0.87878%0.784SS**  trans-71.4115.6168.4-72.5178.4175179.40107.7
325S32Very low32Very low104 Ų104156.9 Ų156.973%0.72779%0.787SS**  trans-143.593.1165.453.80000109.7K323K323-S325 PolarHBondContact O-N 3.32Å
326N31Very low32.3Very low158 Ų158159.3 Ų159.385%0.84579%0.792SS**  trans42.7102.4155.4-57.9-8.7000118.2L328N326-L328 PolarHBondContact O-N 3.34Å
327S28.3Very low32.8Very low121 Ų121162.2 Ų162.285%0.84679%0.793SS**  trans-52.9126.4144.6175.10000109.7
328L31.8Very low33.5Very low159 Ų159163.1 Ų163.183%0.83279%0.794SS**  trans-166.9131.5147.7-106.7164.7000110.2N326N326-L328 PolarHBondContact O-N 3.34Å
329R29Very low34.2Very low216 Ų216161.9 Ų161.982%0.81579%0.792SS**  trans61.192.8172.2-84.8-179154.2-175.5-8.2118.3N331R329-N331 PolarHBondContact O-N 3.22Å
330S29.4Very low34.8Very low96 Ų96157.6 Ų157.667%0.67178%0.779SS**  trans-42.7114.513649.80000112
331N34.4Very low35.9Very low150 Ų150151.2 Ų151.280%0.80276%0.762SS**  trans-105.576149.5-82.4-13.4000107R329 H333R329-N331 PolarHBondContact O-N 3.22Å; N331-H333 PolarHBondContact O-N 3.1Å; N331-H333 VanDerWaalsContact O-N 3.13Å
332D34Very low36.8Very low133 Ų133146.3 Ų146.371%0.71174%0.742SS**  trans-61.6111160.7-72.4-56.9000107.6
333H36Very low38.4Very low169 Ų169146.5 Ų146.578%0.78274%0.741SS**  trans-168.9131.3138.8-91.9-7.9000112.2N331N331-H333 PolarHBondContact O-N 3.1Å; N331-H333 VanDerWaalsContact O-N 3.13Å
334Q38.9Very low39.9Very low164 Ų164141.8 Ų141.877%0.76673%0.725SS**  trans6470.7157.8-56.3-178.544.900116.3I336Q334-I336 VanDerWaalsContact C-N 3.3Å; Q334-I336 PolarHBondContact O-N 3.04Å
335F35.4Very low41.8Very low213 Ų213140 Ų14093%0.93471%0.713SS**  trans-53.4104.2136-89-87.8000108.1R337F335-R337 VanDerWaalsContact C-N 3.27Å; F335-R337 PolarHBondContact O-N 2.92Å
336I37.6Very low44Very low141 Ų141143.2 Ų143.272%0.72371%0.709SS**  trans-62.797166.2-61.1178.7000106.1Q334 V338Q334-I336 VanDerWaalsContact C-N 3.3Å; Q334-I336 PolarHBondContact O-N 3.04Å; I336-V338 VanDerWaalsContact C-N 3.28Å; I336-V338 PolarHBondContact O-N 3.45Å
337R38.9Very low46.3Very low212 Ų212138.5 Ų138.580%0.869%0.692SS**  trans-56.8105.4155.7-91.2-172.2-179.2178.63.2105F335 L339F335-R337 VanDerWaalsContact C-N 3.27Å; F335-R337 PolarHBondContact O-N 2.92Å; R337-L339 PolarHBondContact O-N 3.04Å
338V42.9Very low48.8Very low127 Ų127138.1 Ų138.177%0.7768%0.679SS**  trans-61.790.4159.81790000105I336 S340I336-V338 VanDerWaalsContact C-N 3.28Å; I336-V338 PolarHBondContact O-N 3.45Å; V338-S340 PolarHBondContact O-N 3.39Å
339L45.2Very low51.3Low130 Ų130134.7 Ų134.768%0.68166%0.661SS**  trans-63.390.3169-74.4163.8000105.4R337 S341R337-L339 PolarHBondContact O-N 3.04Å; L339-S341 PolarHBondContact O-N 3.02Å
340S44.8Very low54.1Low84 Ų84130.6 Ų130.659%0.58765%0.649SS**  trans-52.7108.1163.4580000105.8V338 D342V338-S340 PolarHBondContact O-N 3.39Å; S340-D342 PolarHBondContact O-N 3.11Å
341S51.8Low56.7Low52 Ų52128.8 Ų128.836%0.36464%0.64SS.*  trans-29.3109.5-172.1171.60000112L339 K343 D344 R345L339-S341 PolarHBondContact O-N 3.02Å; S341-K343 PolarHBondContact O-N 3.1Å; S341-K343 VanDerWaalsContact OG-CB 3.27Å; S341-K343 WeakPolarHBondContact OG-CB 3.47Å; S341-K343 PolarHBondContact OG-N 3.38Å; S341-D344 PolarHBondContact O-N 3.03Å; S341-R345 PolarHBondContact O-N 3Å
342D56.4Low59.2Low81 Ų81125.9 Ų125.943%0.43362%0.621SS.*Hα-helixtrans-61.2-10.7175.9-81.4-46.9000111.7S340 R346S340-D342 PolarHBondContact O-N 3.11Å; D342-R346 WeakPolarHBondContact O-CB 3.48Å; D342-R346 WeakPolarHBondContact O-CG 3.48Å; D342-R346 PolarHBondContact O-N 2.94Å; D342-R346 PolarHBondContact O-NE 3.08Å
343K60.9Low61.8Low163 Ų163123.7 Ų123.771%0.70961%0.609SS**Hα-helixtrans-67.3-47.2167.7-107.7173.4178.5177.40111.5S341 R346 A347S341-K343 PolarHBondContact O-N 3.1Å; S341-K343 VanDerWaalsContact OG-CB 3.27Å; S341-K343 WeakPolarHBondContact OG-CB 3.47Å; S341-K343 PolarHBondContact OG-N 3.38Å; K343-R346 PolarHBondContact O-N 3.28Å; K343-A347 PolarHBondContact O-N 3.04Å
344D68.4Low64.4Low103 Ų103120.4 Ų120.455%0.55159%0.594SS**Hα-helixtrans-67.6-43.4-178.5-64-19000111.1S341 R346 A347 I348S341-D344 PolarHBondContact O-N 3.03Å; D344-R346 VanDerWaalsContact C-N 3.28Å; D344-R346 PolarHBondContact O-N 3.15Å; D344-A347 WeakPolarHBondContact O-CB 3.34Å; D344-A347 PolarHBondContact O-N 3.16Å; D344-A347 VanDerWaalsContact O-N 3.09Å; D344-I348 WeakPolarHBondContact O-CG1 3.37Å; D344-I348 PolarHBondContact O-N 3.06Å
345R71.8Confident66.8Low165 Ų165119.5 Ų119.562%0.62359%0.588SS**Hα-helixtrans-62.7-36.1178.5-159.9174177-163.3-1.5111.9S341 I349S341-R345 PolarHBondContact O-N 3Å; R345-I349 HydrophobicContact CG-CD1 4.44Å; R345-I349 WeakPolarHBondContact O-CD1 3.42Å; R345-I349 VanDerWaalsContact O-CG1 3.24Å; R345-I349 WeakPolarHBondContact O-CG1 3.47Å; R345-I349 PolarHBondContact O-N 3.39Å
346R76.3Confident69.3Low170 Ų170116 Ų11664%0.64257%0.569SS**Hα-helixtrans-69.9-38.1171.7-80.9179.1-80.4-156.5-5.2112.8D342 K343 D344 K350D342-R346 WeakPolarHBondContact O-CB 3.48Å; D342-R346 WeakPolarHBondContact O-CG 3.48Å; D342-R346 PolarHBondContact O-N 2.94Å; D342-R346 PolarHBondContact O-NE 3.08Å; K343-R346 PolarHBondContact O-N 3.28Å; D344-R346 VanDerWaalsContact C-N 3.28Å; D344-R346 PolarHBondContact O-N 3.15Å; R346-K350 WeakPolarHBondContact O-CB 3.23Å; R346-K350 PolarHBondContact O-N 3.43Å
347A80.8Confident71.8Confident59 Ų59115.4 Ų115.449%0.48856%0.563SS.*Hα-helixtrans-63.4-44.5175.700000112.1K343 D344 K350 A351K343-A347 PolarHBondContact O-N 3.04Å; D344-A347 WeakPolarHBondContact O-CB 3.34Å; D344-A347 PolarHBondContact O-N 3.16Å; D344-A347 VanDerWaalsContact O-N 3.09Å; A347-K350 PolarHBondContact O-N 3.36Å; A347-A351 PolarHBondContact O-N 2.77Å
348I81.4Confident74.2Confident114 Ų114107.6 Ų107.659%0.58554%0.543SS*.Hα-helixtrans-61.1-48.8176.6-65.8163.3000110.9D344 K350 A351 E352D344-I348 WeakPolarHBondContact O-CG1 3.37Å; D344-I348 PolarHBondContact O-N 3.06Å; I348-K350 VanDerWaalsContact C-N 3.29Å; I348-K350 PolarHBondContact O-N 2.88Å; I348-A351 PolarHBondContact O-N 3.01Å; I348-E352 PolarHBondContact O-N 3.33Å
349I82.5Confident76.2Confident86 Ų86105.4 Ų105.444%0.44153%0.527SS..Hα-helixtrans-61.8-37.5178.4-68.6165.9000111.4R345 N353R345-I349 HydrophobicContact CG-CD1 4.44Å; R345-I349 WeakPolarHBondContact O-CD1 3.42Å; R345-I349 VanDerWaalsContact O-CG1 3.24Å; R345-I349 WeakPolarHBondContact O-CG1 3.47Å; R345-I349 PolarHBondContact O-N 3.39Å; I349-N353 WeakPolarHBondContact O-CB 3.33Å; I349-N353 PolarHBondContact O-N 3.03Å; I349-N353 PolarHBondContact O-ND2 3.45Å
350K88.5Confident78.2Confident131 Ų131106.2 Ų106.257%0.5753%0.525SS*.Hα-helixtrans-64.1-50.7176-176.8178.7167.4-176.70111.3R346 A347 I348 E352 N353 E354R346-K350 WeakPolarHBondContact O-CB 3.23Å; R346-K350 PolarHBondContact O-N 3.43Å; A347-K350 PolarHBondContact O-N 3.36Å; I348-K350 VanDerWaalsContact C-N 3.29Å; I348-K350 PolarHBondContact O-N 2.88Å; K350-E352 VanDerWaalsContact C-N 3.31Å; K350-E352 PolarHBondContact O-N 3.19Å; K350-N353 PolarHBondContact O-N 3.48Å; K350-E354 WeakPolarHBondContact CE-OE1 3.38Å; K350-E354 IonicContact NZ-OE1 2.64Å; K350-E354 WeakPolarHBondContact O-CG 3.4Å; K350-E354 PolarHBondContact O-N 2.88Å
351A84.8Confident80.3Confident57 Ų57108.8 Ų108.847%0.47153%0.527SS..Hα-helixtrans-61.8-37.3178.700000112.5A347 I348 E354 K355A347-A351 PolarHBondContact O-N 2.77Å; I348-A351 PolarHBondContact O-N 3.01Å; A351-E354 PolarHBondContact O-N 2.97Å; A351-K355 WeakPolarHBondContact O-CB 3.34Å; A351-K355 PolarHBondContact O-N 3.37Å
352E86.3Confident81.7Confident90 Ų90111.8 Ų111.842%0.42154%0.538SS..Hα-helixtrans-67.1-39.9175.5-160.1-165.3143.600112.1I348 K350 K355 R356I348-E352 PolarHBondContact O-N 3.33Å; K350-E352 VanDerWaalsContact C-N 3.31Å; K350-E352 PolarHBondContact O-N 3.19Å; E352-K355 PolarHBondContact O-N 3.36Å; E352-R356 VanDerWaalsContact O-CG 3.29Å; E352-R356 WeakPolarHBondContact O-CG 3.36Å; E352-R356 PolarHBondContact O-N 2.95Å; E352-R356 IonicContact OE1-CZ 3.11Å; E352-R356 IonicContact OE1-NE 3.78Å; E352-R356 PolarHBondContact OE1-NE 3.3Å; E352-R356 IonicContact OE1-NH2 3.24Å; E352-R356 PolarHBondContact OE1-NH2 2.93Å
353N88.1Confident83Confident86 Ų86114.1 Ų114.146%0.4655%0.547SS..Hα-helixtrans-65.9-41175.1-81.1-32000112.4I349 K350 R356 Q357I349-N353 WeakPolarHBondContact O-CB 3.33Å; I349-N353 PolarHBondContact O-N 3.03Å; I349-N353 PolarHBondContact O-ND2 3.45Å; K350-N353 PolarHBondContact O-N 3.48Å; N353-R356 PolarHBondContact O-N 3.19Å; N353-Q357 WeakPolarHBondContact O-CG 3.31Å; N353-Q357 PolarHBondContact O-N 3.18Å
354E90.4Very high84Confident100 Ų100112.4 Ų112.447%0.46755%0.545SS..Hα-helixtrans-61.4-44.6174.4-73.4170176.900111K350 A351 R356 Q357 A358K350-E354 WeakPolarHBondContact CE-OE1 3.38Å; K350-E354 IonicContact NZ-OE1 2.64Å; K350-E354 WeakPolarHBondContact O-CG 3.4Å; K350-E354 PolarHBondContact O-N 2.88Å; A351-E354 PolarHBondContact O-N 2.97Å; E354-R356 PolarHBondContact O-N 3.42Å; E354-Q357 PolarHBondContact O-N 2.87Å; E354-Q357 VanDerWaalsContact O-N 3.17Å; E354-A358 PolarHBondContact O-N 2.86Å
355K89.7Confident84.5Confident146 Ų146112.3 Ų112.364%0.63554%0.543SS*.Hα-helixtrans-58.8-43.5172.6-176.9177179.4177.50112.3A351 E352 Q357 A358 I359A351-K355 WeakPolarHBondContact O-CB 3.34Å; A351-K355 PolarHBondContact O-N 3.37Å; E352-K355 PolarHBondContact O-N 3.36Å; K355-Q357 VanDerWaalsContact C-N 3.33Å; K355-Q357 PolarHBondContact O-N 3.05Å; K355-A358 PolarHBondContact O-N 3.29Å; K355-I359 HydrophobicContact CG-CD1 4.11Å; K355-I359 WeakPolarHBondContact O-CG1 3.44Å; K355-I359 PolarHBondContact O-N 3.36Å; K355-I359 VanDerWaalsContact O-N 3.09Å
356R89.2Confident84.9Confident140 Ų140107.1 Ų107.153%0.52854%0.536SS..Hα-helixtrans-65.7-32.6176.8-72.7169.9-179.3-90.54.6112.4E352 N353 E354 K360E352-R356 VanDerWaalsContact O-CG 3.29Å; E352-R356 WeakPolarHBondContact O-CG 3.36Å; E352-R356 PolarHBondContact O-N 2.95Å; E352-R356 IonicContact OE1-CZ 3.11Å; E352-R356 IonicContact OE1-NE 3.78Å; E352-R356 PolarHBondContact OE1-NE 3.3Å; E352-R356 IonicContact OE1-NH2 3.24Å; E352-R356 PolarHBondContact OE1-NH2 2.93Å; N353-R356 PolarHBondContact O-N 3.19Å; E354-R356 PolarHBondContact O-N 3.42Å; R356-K360 WeakPolarHBondContact O-CG 3.47Å; R356-K360 PolarHBondContact O-N 2.95Å
357Q89.2Confident85.3Confident127 Ų127103 Ų10359%0.59353%0.533SS*.Hα-helixtrans-71.8-44.1174.2-73.5179.81.800112N353 E354 K355 I359 K360 Q361N353-Q357 WeakPolarHBondContact O-CG 3.31Å; N353-Q357 PolarHBondContact O-N 3.18Å; E354-Q357 PolarHBondContact O-N 2.87Å; E354-Q357 VanDerWaalsContact O-N 3.17Å; K355-Q357 VanDerWaalsContact C-N 3.33Å; K355-Q357 PolarHBondContact O-N 3.05Å; Q357-I359 PolarHBondContact O-N 3.36Å; Q357-K360 WeakPolarHBondContact O-CB 3.5Å; Q357-K360 PolarHBondContact O-N 2.85Å; Q357-Q361 PolarHBondContact O-N 3.42Å
358A88.4Confident85.6Confident48 Ų48105.2 Ų105.240%0.39753%0.533SS..Hα-helixtrans-58.9-45.2176.400000112.1E354 K355 K360 Q361 I362E354-A358 PolarHBondContact O-N 2.86Å; K355-A358 PolarHBondContact O-N 3.29Å; A358-K360 VanDerWaalsContact C-N 3.31Å; A358-K360 PolarHBondContact O-N 2.87Å; A358-Q361 PolarHBondContact O-N 3Å; A358-Q361 VanDerWaalsContact O-N 3.16Å; A358-I362 WeakPolarHBondContact O-CG1 3.49Å; A358-I362 PolarHBondContact O-N 2.74Å
359I86.4Confident85.9Confident81 Ų81106.6 Ų106.642%0.41554%0.537SS..Hα-helixtrans-58.9-41.7176.2-68165.1000111.4K355 Q357 Q361 I362 Q363K355-I359 HydrophobicContact CG-CD1 4.11Å; K355-I359 WeakPolarHBondContact O-CG1 3.44Å; K355-I359 PolarHBondContact O-N 3.36Å; K355-I359 VanDerWaalsContact O-N 3.09Å; Q357-I359 PolarHBondContact O-N 3.36Å; I359-Q361 PolarHBondContact O-N 2.76Å; I359-I362 PolarHBondContact O-N 2.71Å; I359-Q363 WeakPolarHBondContact O-CG 3.48Å; I359-Q363 PolarHBondContact O-N 2.98Å
360K86.1Confident86.1Confident148 Ų148105.3 Ų105.364%0.64354%0.54SS*.Hα-helixtrans-64.1-38.4176.7-75.4178.6177.8-172.40112.7R356 Q357 A358 L364R356-K360 WeakPolarHBondContact O-CG 3.47Å; R356-K360 PolarHBondContact O-N 2.95Å; Q357-K360 WeakPolarHBondContact O-CB 3.5Å; Q357-K360 PolarHBondContact O-N 2.85Å; A358-K360 VanDerWaalsContact C-N 3.31Å; A358-K360 PolarHBondContact O-N 2.87Å; K360-L364 PolarHBondContact O-N 3.08Å
361Q88.2Confident85.9Confident137 Ų137104.8 Ų104.864%0.6454%0.543SS*.Hα-helixtrans-67.1-43.2176.6-71.9-173.5-8.300111.8Q357 A358 I359 Q363 L364 L365Q357-Q361 PolarHBondContact O-N 3.42Å; A358-Q361 PolarHBondContact O-N 3Å; A358-Q361 VanDerWaalsContact O-N 3.16Å; I359-Q361 PolarHBondContact O-N 2.76Å; Q361-Q363 VanDerWaalsContact C-N 3.32Å; Q361-Q363 PolarHBondContact O-N 3.31Å; Q361-L364 WeakPolarHBondContact O-CB 3.28Å; Q361-L364 PolarHBondContact O-N 3.26Å; Q361-L364 VanDerWaalsContact O-N 3.12Å; Q361-L365 WeakPolarHBondContact O-CG 3.18Å; Q361-L365 PolarHBondContact O-N 3.43Å
362I81.3Confident86.1Confident116 Ų116107 Ų10760%0.59555%0.545SS*.Hα-helixtrans-60-42.9176.3-64.9167.8000110.9A358 I359 L364 L365 A366A358-I362 WeakPolarHBondContact O-CG1 3.49Å; A358-I362 PolarHBondContact O-N 2.74Å; I359-I362 PolarHBondContact O-N 2.71Å; I362-L364 VanDerWaalsContact C-N 3.33Å; I362-L364 PolarHBondContact O-N 2.98Å; I362-L365 PolarHBondContact O-N 2.71Å; I362-A366 PolarHBondContact O-N 2.95Å
363Q84.8Confident86.3Confident130 Ų130108.4 Ų108.461%0.60756%0.555SS**Hα-helixtrans-64.5-35.3175.4-73.8179-26.800113I359 Q361 S367I359-Q363 WeakPolarHBondContact O-CG 3.48Å; I359-Q363 PolarHBondContact O-N 2.98Å; Q361-Q363 VanDerWaalsContact C-N 3.32Å; Q361-Q363 PolarHBondContact O-N 3.31Å; Q363-S367 WeakPolarHBondContact O-CB 3.47Å; Q363-S367 PolarHBondContact O-N 2.82Å; Q363-S367 VanDerWaalsContact O-N 3.16Å
364L81Confident86.3Confident127 Ų127107 Ų10767%0.66556%0.556SS**Hα-helixtrans-64.8-47.3175.8-135.985.2000111.2K360 Q361 I362 S367 E368K360-L364 PolarHBondContact O-N 3.08Å; Q361-L364 WeakPolarHBondContact O-CB 3.28Å; Q361-L364 PolarHBondContact O-N 3.26Å; Q361-L364 VanDerWaalsContact O-N 3.12Å; I362-L364 VanDerWaalsContact C-N 3.33Å; I362-L364 PolarHBondContact O-N 2.98Å; L364-S367 WeakPolarHBondContact O-CB 3.49Å; L364-S367 PolarHBondContact O-N 3Å; L364-E368 PolarHBondContact O-N 2.93Å
365L79.8Confident86.5Confident100 Ų100111.2 Ų111.252%0.52457%0.567SS.*Hα-helixtrans-64.1-44.1-179.8-67.4171000111.9Q361 I362 S367 E368 E369Q361-L365 WeakPolarHBondContact O-CG 3.18Å; Q361-L365 PolarHBondContact O-N 3.43Å; I362-L365 PolarHBondContact O-N 2.71Å; L365-S367 VanDerWaalsContact C-N 3.27Å; L365-S367 PolarHBondContact O-N 3.35Å; L365-E368 WeakPolarHBondContact O-CB 3.45Å; L365-E368 PolarHBondContact O-N 3.17Å; L365-E369 PolarHBondContact O-N 3.34Å
366A80.4Confident86.8Confident57 Ų57109.4 Ų109.447%0.47156%0.561SS.*Hα-helixtrans-61.8-34.7175.400000112.6I362 A370I362-A366 PolarHBondContact O-N 2.95Å; A366-A370 PolarHBondContact O-N 3.28Å
367S83.2Confident87.1Confident82 Ų82108.4 Ų108.457%0.57356%0.561SS**Hα-helixtrans-71.5-30.3172.9-173.30000112.9Q363 L364 L365 L371Q363-S367 WeakPolarHBondContact O-CB 3.47Å; Q363-S367 PolarHBondContact O-N 2.82Å; Q363-S367 VanDerWaalsContact O-N 3.16Å; L364-S367 WeakPolarHBondContact O-CB 3.49Å; L364-S367 PolarHBondContact O-N 3Å; L365-S367 VanDerWaalsContact C-N 3.27Å; L365-S367 PolarHBondContact O-N 3.35Å; S367-L371 WeakPolarHBondContact O-CB 3.42Å; S367-L371 PolarHBondContact O-N 3.33Å
368E88Confident87.3Confident106 Ų106105.1 Ų105.150%0.49556%0.555SS.*Hα-helixtrans-73.7-43.4178.1-173.1167-166.400111.3L364 L365 A370 L371 I372L364-E368 PolarHBondContact O-N 2.93Å; L365-E368 WeakPolarHBondContact O-CB 3.45Å; L365-E368 PolarHBondContact O-N 3.17Å; E368-A370 PolarHBondContact O-N 2.89Å; E368-L371 WeakPolarHBondContact O-CB 3.44Å; E368-L371 PolarHBondContact O-N 2.91Å; E368-L371 VanDerWaalsContact O-N 3.15Å; E368-I372 HydrophobicContact CG-CD1 4.09Å; E368-I372 VanDerWaalsContact O-CG1 3.31Å; E368-I372 WeakPolarHBondContact O-CG1 3.49Å; E368-I372 PolarHBondContact O-N 3.45Å
369E87.8Confident87.6Confident143 Ų143107 Ų10767%0.66856%0.558SS**Hα-helixtrans-58.6-45.8173.4-71.6-179.6175.700112.1L365 L371 I372 L373L365-E369 PolarHBondContact O-N 3.34Å; E369-L371 VanDerWaalsContact C-N 3.3Å; E369-L371 PolarHBondContact O-N 2.68Å; E369-I372 PolarHBondContact O-N 3.23Å; E369-L373 PolarHBondContact O-N 3.16Å
370A85.9Confident88.1Confident60 Ų60107.3 Ų107.350%0.49656%0.558SS.*Hα-helixtrans-61.4-37.2175.700000112.6A366 E368 A374A366-A370 PolarHBondContact O-N 3.28Å; E368-A370 PolarHBondContact O-N 2.89Å; A370-A374 WeakPolarHBondContact O-CB 3.3Å; A370-A374 PolarHBondContact O-N 3.06Å
371L85.3Confident88.5Confident120 Ų120108.1 Ų108.163%0.62856%0.557SS**Hα-helixtrans-69.7-40176.3-179.164.1000112.1S367 E368 E369 A374 R375S367-L371 WeakPolarHBondContact O-CB 3.42Å; S367-L371 PolarHBondContact O-N 3.33Å; E368-L371 WeakPolarHBondContact O-CB 3.44Å; E368-L371 PolarHBondContact O-N 2.91Å; E368-L371 VanDerWaalsContact O-N 3.15Å; E369-L371 VanDerWaalsContact C-N 3.3Å; E369-L371 PolarHBondContact O-N 2.68Å; L371-A374 PolarHBondContact O-N 3.08Å; L371-R375 WeakPolarHBondContact O-CB 3.34Å; L371-R375 PolarHBondContact O-N 3Å
372I88.8Confident88.9Confident102 Ų102107.9 Ų107.952%0.52355%0.55SS..Hα-helixtrans-62.2-47.6175.2-69.4164.8000110E368 E369 A374 R375 Q376E368-I372 HydrophobicContact CG-CD1 4.09Å; E368-I372 VanDerWaalsContact O-CG1 3.31Å; E368-I372 WeakPolarHBondContact O-CG1 3.49Å; E368-I372 PolarHBondContact O-N 3.45Å; E369-I372 PolarHBondContact O-N 3.23Å; I372-A374 PolarHBondContact O-N 3.48Å; I372-R375 WeakPolarHBondContact O-CB 3.45Å; I372-R375 PolarHBondContact O-N 2.81Å; I372-Q376 PolarHBondContact O-N 2.93Å
373L89.4Confident89.6Confident121 Ų121108.1 Ų108.163%0.63455%0.549SS*.Hα-helixtrans-60.3-44.5177.2-165.895000111.8E369 R375 Q376 K377E369-L373 PolarHBondContact O-N 3.16Å; L373-R375 VanDerWaalsContact C-N 3.33Å; L373-R375 PolarHBondContact O-N 3.03Å; L373-Q376 PolarHBondContact O-N 2.78Å; L373-K377 WeakPolarHBondContact O-CB 3.34Å; L373-K377 PolarHBondContact O-N 3.47Å
374A88.7Confident90.1Very high57 Ų57106 Ų10647%0.47155%0.545SS..Hα-helixtrans-62.1-39.9176.200000112.1A370 L371 I372 A378A370-A374 WeakPolarHBondContact O-CB 3.3Å; A370-A374 PolarHBondContact O-N 3.06Å; L371-A374 PolarHBondContact O-N 3.08Å; I372-A374 PolarHBondContact O-N 3.48Å; A374-A378 WeakPolarHBondContact O-CB 3.31Å; A374-A378 PolarHBondContact O-N 3Å
375R94.4Very high90.9Very high188 Ų188106.6 Ų106.671%0.70954%0.542SS*.Hα-helixtrans-66.1-42.3176.2-173.8177.4-177.2175.31.1111.9L371 I372 L373 A378 L379L371-R375 WeakPolarHBondContact O-CB 3.34Å; L371-R375 PolarHBondContact O-N 3Å; I372-R375 WeakPolarHBondContact O-CB 3.45Å; I372-R375 PolarHBondContact O-N 2.81Å; L373-R375 VanDerWaalsContact C-N 3.33Å; L373-R375 PolarHBondContact O-N 3.03Å; R375-A378 PolarHBondContact O-N 3.38Å; R375-L379 WeakPolarHBondContact O-CG 3.5Å; R375-L379 PolarHBondContact O-N 2.98Å
376Q96.1Very high91.7Very high108 Ų108106.5 Ų106.551%0.50554%0.541SS..Hα-helixtrans-61-50.8175.6-178.3179.9-26.800111.1I372 L373 A378 L379 E380I372-Q376 PolarHBondContact O-N 2.93Å; L373-Q376 PolarHBondContact O-N 2.78Å; Q376-A378 PolarHBondContact O-N 2.7Å; Q376-L379 WeakPolarHBondContact O-CA 3.49Å; Q376-L379 WeakPolarHBondContact O-CB 3.44Å; Q376-L379 PolarHBondContact O-N 3.01Å; Q376-E380 WeakPolarHBondContact CG-OE1 3.43Å; Q376-E380 PolarHBondContact NE2-OE1 3.01Å; Q376-E380 PolarHBondContact O-N 3.34Å
377K94.9Very high92.5Very high119 Ų119108.5 Ų108.552%0.51754%0.543SS..Hα-helixtrans-59.7-31.5177.5-169.2169.3-172.9167.30112.9L373 R381L373-K377 WeakPolarHBondContact O-CB 3.34Å; L373-K377 PolarHBondContact O-N 3.47Å; K377-R381 WeakPolarHBondContact O-CB 3.35Å; K377-R381 WeakPolarHBondContact O-CD 3.29Å; K377-R381 VanDerWaalsContact O-CG 3.26Å; K377-R381 WeakPolarHBondContact O-CG 3.49Å; K377-R381 PolarHBondContact O-N 3.34Å
378A93.3Very high93.1Very high58 Ų58110.1 Ų110.148%0.47954%0.541SS..Hα-helixtrans-71.3-35.1172.800000113A374 R375 Q376 R382A374-A378 WeakPolarHBondContact O-CB 3.31Å; A374-A378 PolarHBondContact O-N 3Å; R375-A378 PolarHBondContact O-N 3.38Å; Q376-A378 PolarHBondContact O-N 2.7Å; A378-R382 PolarHBondContact O-N 2.68Å; A378-R382 VanDerWaalsContact O-N 3.12Å
379L96.3Very high93.5Very high87 Ų87110.1 Ų110.146%0.45554%0.544SS..Hα-helixtrans-69.9-42.6175-71169.9000112R375 Q376 R381 R382 Q383R375-L379 WeakPolarHBondContact O-CG 3.5Å; R375-L379 PolarHBondContact O-N 2.98Å; Q376-L379 WeakPolarHBondContact O-CA 3.49Å; Q376-L379 WeakPolarHBondContact O-CB 3.44Å; Q376-L379 PolarHBondContact O-N 3.01Å; L379-R381 VanDerWaalsContact C-N 3.35Å; L379-R381 PolarHBondContact O-N 2.76Å; L379-R382 CarbonylContact O-C 3.6Å; L379-R382 WeakPolarHBondContact O-CA 3.37Å; L379-R382 WeakPolarHBondContact O-CB 3.37Å; L379-R382 PolarHBondContact O-N 3.02Å; L379-Q383 WeakPolarHBondContact O-CG 3.47Å; L379-Q383 PolarHBondContact O-N 3.31Å
380E95.7Very high94Very high88 Ų88108.4 Ų108.441%0.41154%0.536SS..Hα-helixtrans-59.5-44.4174.3-69164.1-17400111.4Q376 R382 Q383 T384Q376-E380 WeakPolarHBondContact CG-OE1 3.43Å; Q376-E380 PolarHBondContact NE2-OE1 3.01Å; Q376-E380 PolarHBondContact O-N 3.34Å; E380-R382 PolarHBondContact O-N 3.02Å; E380-Q383 PolarHBondContact O-N 3.27Å; E380-T384 WeakPolarHBondContact O-CG2 3.39Å; E380-T384 PolarHBondContact O-N 3.3Å; E380-T384 PolarHBondContact O-OG1 2.9Å
381R94.7Very high94.5Very high164 Ų164111.8 Ų111.862%0.61954%0.539SS*.Hα-helixtrans-62.6-25.2172.4-76.4172.7169.5-173.4-4.7113.9K377 L379 T384 K385K377-R381 WeakPolarHBondContact O-CB 3.35Å; K377-R381 WeakPolarHBondContact O-CD 3.29Å; K377-R381 VanDerWaalsContact O-CG 3.26Å; K377-R381 WeakPolarHBondContact O-CG 3.49Å; K377-R381 PolarHBondContact O-N 3.34Å; L379-R381 VanDerWaalsContact C-N 3.35Å; L379-R381 PolarHBondContact O-N 2.76Å; R381-T384 WeakPolarHBondContact CA-OG1 3.24Å; R381-T384 PolarHBondContact O-OG1 3.37Å; R381-K385 WeakPolarHBondContact O-CG 3.01Å
382R96.8Very high95.1Very high132 Ų132109.6 Ų109.650%0.49853%0.528SS..Hα-helixtrans-81.9-41.2175.1-179.9178.2172.3178.8-4.3111.3A378 L379 E380 K385 L386A378-R382 PolarHBondContact O-N 2.68Å; A378-R382 VanDerWaalsContact O-N 3.12Å; L379-R382 CarbonylContact O-C 3.6Å; L379-R382 WeakPolarHBondContact O-CA 3.37Å; L379-R382 WeakPolarHBondContact O-CB 3.37Å; L379-R382 PolarHBondContact O-N 3.02Å; E380-R382 PolarHBondContact O-N 3.02Å; R382-K385 PolarHBondContact O-N 3.41Å; R382-L386 HydrophobicContact CG-CD1 4.27Å; R382-L386 WeakPolarHBondContact O-CG 3.5Å; R382-L386 PolarHBondContact O-N 3.18Å
383Q96.5Very high95.6Very high122 Ų122110 Ų11057%0.5753%0.531SS*.Hα-helixtrans-63.9-47.5177.5-73.5171.7-2300111.7L379 E380 K385 L386 I387L379-Q383 WeakPolarHBondContact O-CG 3.47Å; L379-Q383 PolarHBondContact O-N 3.31Å; E380-Q383 PolarHBondContact O-N 3.27Å; Q383-K385 PolarHBondContact O-N 2.93Å; Q383-L386 WeakPolarHBondContact O-CB 3.48Å; Q383-L386 PolarHBondContact O-N 2.96Å; Q383-L386 VanDerWaalsContact O-N 3.07Å; Q383-I387 WeakPolarHBondContact O-CG1 3.45Å; Q383-I387 PolarHBondContact O-N 3.48Å
384T95.4Very high95.9Very high86 Ų86109.1 Ų109.153%0.52852%0.524SS..Hα-helixtrans-55.5-47175.243.20000112.5E380 R381 L386 I387 E388E380-T384 WeakPolarHBondContact O-CG2 3.39Å; E380-T384 PolarHBondContact O-N 3.3Å; E380-T384 PolarHBondContact O-OG1 2.9Å; R381-T384 WeakPolarHBondContact CA-OG1 3.24Å; R381-T384 PolarHBondContact O-OG1 3.37Å; T384-L386 VanDerWaalsContact C-N 3.35Å; T384-L386 PolarHBondContact O-N 3.23Å; T384-I387 PolarHBondContact O-N 3.46Å; T384-E388 PolarHBondContact O-N 2.99Å
385K97Very high96.3Very high138 Ų138111.7 Ų111.760%0.653%0.529SS*.Hα-helixtrans-62-36.1174-75.1-176.9176.7-170.80113.7R381 R382 Q383 E388 I389R381-K385 WeakPolarHBondContact O-CG 3.01Å; R382-K385 PolarHBondContact O-N 3.41Å; Q383-K385 PolarHBondContact O-N 2.93Å; K385-E388 PolarHBondContact O-N 3.42Å; K385-I389 WeakPolarHBondContact O-CB 3.34Å; K385-I389 WeakPolarHBondContact O-CD1 3.49Å; K385-I389 VanDerWaalsContact O-CG1 3.23Å; K385-I389 WeakPolarHBondContact O-CG1 3.45Å; K385-I389 PolarHBondContact O-N 3.37Å
386L96.7Very high96.4Very high98 Ų98109.6 Ų109.651%0.51353%0.525SS..Hα-helixtrans-68.1-39.2176.8-74.2168.7000111.9R382 Q383 T384 I389 H390R382-L386 HydrophobicContact CG-CD1 4.27Å; R382-L386 WeakPolarHBondContact O-CG 3.5Å; R382-L386 PolarHBondContact O-N 3.18Å; Q383-L386 WeakPolarHBondContact O-CB 3.48Å; Q383-L386 PolarHBondContact O-N 2.96Å; Q383-L386 VanDerWaalsContact O-N 3.07Å; T384-L386 VanDerWaalsContact C-N 3.35Å; T384-L386 PolarHBondContact O-N 3.23Å; L386-I389 PolarHBondContact O-N 2.93Å; L386-H390 WeakPolarHBondContact O-CB 3.36Å; L386-H390 PolarHBondContact O-N 3.44Å
387I96.8Very high96.5Very high100 Ų100110.5 Ų110.551%0.51353%0.529SS..Hα-helixtrans-62.8-43.8174.4-66.3163000110.5Q383 T384 H390 K391Q383-I387 WeakPolarHBondContact O-CG1 3.45Å; Q383-I387 PolarHBondContact O-N 3.48Å; T384-I387 PolarHBondContact O-N 3.46Å; I387-H390 PolarHBondContact O-N 2.99Å; I387-K391 PolarHBondContact O-N 3.44Å
388E96.2Very high96.6Very high115 Ų115111.4 Ų111.454%0.53753%0.533SS..Hα-helixtrans-61.3-46.8176-166.8-161.9150.600112.1T384 K385 H390 K391 N392T384-E388 PolarHBondContact O-N 2.99Å; K385-E388 PolarHBondContact O-N 3.42Å; E388-H390 VanDerWaalsContact C-N 3.29Å; E388-H390 PolarHBondContact O-N 3.32Å; E388-K391 PolarHBondContact O-N 2.96Å; E388-N392 WeakPolarHBondContact O-CB 3.45Å; E388-N392 PolarHBondContact O-N 2.91Å; E388-N392 PolarHBondContact O-ND2 3.17Å
389I97.7Very high96.7Very high107 Ų107113.6 Ų113.655%0.54953%0.533SS..Hα-helixtrans-59.5-40.8175.6-70.9164.3000110.9K385 L386 N392 L393K385-I389 WeakPolarHBondContact O-CB 3.34Å; K385-I389 WeakPolarHBondContact O-CD1 3.49Å; K385-I389 VanDerWaalsContact O-CG1 3.23Å; K385-I389 WeakPolarHBondContact O-CG1 3.45Å; K385-I389 PolarHBondContact O-N 3.37Å; L386-I389 PolarHBondContact O-N 2.93Å; I389-N392 PolarHBondContact O-N 3.49Å; I389-L393 WeakPolarHBondContact O-CB 3.43Å; I389-L393 PolarHBondContact O-N 3.11Å
390H97.4Very high96.7Very high107 Ų107112.1 Ų112.150%0.49553%0.533SS..Hα-helixtrans-64.9-46.5178.4-16977.1000112L386 I387 E388 N392 L393 Q394L386-H390 WeakPolarHBondContact O-CB 3.36Å; L386-H390 PolarHBondContact O-N 3.44Å; I387-H390 PolarHBondContact O-N 2.99Å; E388-H390 VanDerWaalsContact C-N 3.29Å; E388-H390 PolarHBondContact O-N 3.32Å; H390-N392 PolarHBondContact O-N 3.28Å; H390-L393 PolarHBondContact O-N 3.17Å; H390-L393 VanDerWaalsContact O-N 3.17Å; H390-Q394 PolarHBondContact CD2-NE2 2.95Å; H390-Q394 PolarHBondContact NE2-NE2 3.14Å; H390-Q394 WeakPolarHBondContact O-CG 3.31Å; H390-Q394 PolarHBondContact O-N 3.27Å
391K97.5Very high96.7Very high130 Ų130110.8 Ų110.857%0.56553%0.527SS*.Hα-helixtrans-57.8-46.4174.1-71.6-178.2177.6-173.70111.7I387 E388 L393 Q394 L395I387-K391 PolarHBondContact O-N 3.44Å; E388-K391 PolarHBondContact O-N 2.96Å; K391-L393 VanDerWaalsContact C-N 3.3Å; K391-L393 PolarHBondContact O-N 3.49Å; K391-Q394 PolarHBondContact O-N 3.22Å; K391-L395 WeakPolarHBondContact O-CG 3.46Å; K391-L395 PolarHBondContact O-N 2.89Å
392N97.6Very high96.8Very high74 Ų74108.7 Ų108.740%0.39653%0.527SS..Hα-helixtrans-63.6-33.5177.5-77.2-33000113E388 I389 H390 K396E388-N392 WeakPolarHBondContact O-CB 3.45Å; E388-N392 PolarHBondContact O-N 2.91Å; E388-N392 PolarHBondContact O-ND2 3.17Å; I389-N392 PolarHBondContact O-N 3.49Å; H390-N392 PolarHBondContact O-N 3.28Å; N392-K396 WeakPolarHBondContact O-CG 3.36Å; N392-K396 PolarHBondContact O-N 3.21Å; N392-K396 VanDerWaalsContact O-N 3.17Å
393L97.7Very high96.8Very high112 Ų112109.2 Ų109.259%0.58653%0.529SS*.Hα-helixtrans-71.3-42.8175.4-174.362.1000111.8I389 H390 K391 L395 K396 H397I389-L393 WeakPolarHBondContact O-CB 3.43Å; I389-L393 PolarHBondContact O-N 3.11Å; H390-L393 PolarHBondContact O-N 3.17Å; H390-L393 VanDerWaalsContact O-N 3.17Å; K391-L393 VanDerWaalsContact C-N 3.3Å; K391-L393 PolarHBondContact O-N 3.49Å; L393-L395 PolarHBondContact O-N 3.35Å; L393-K396 PolarHBondContact O-N 3.47Å; L393-H397 PolarHBondContact O-N 3.48Å
394Q97.3Very high96.7Very high102 Ų102110.6 Ų110.648%0.47753%0.529SS..Hα-helixtrans-59.8-44.1174.6-71.3-176.3-5.400112H390 K391 K396 H397 K398H390-Q394 PolarHBondContact CD2-NE2 2.95Å; H390-Q394 PolarHBondContact NE2-NE2 3.14Å; H390-Q394 WeakPolarHBondContact O-CG 3.31Å; H390-Q394 PolarHBondContact O-N 3.27Å; K391-Q394 PolarHBondContact O-N 3.22Å; Q394-K396 PolarHBondContact O-N 3.24Å; Q394-H397 WeakPolarHBondContact O-CB 3.32Å; Q394-H397 PolarHBondContact O-N 2.98Å; Q394-K398 PolarHBondContact O-N 2.74Å
395L96.7Very high96.8Very high111 Ų111112 Ų11258%0.58153%0.527SS*.Hα-helixtrans-61.4-43.1176-71.1173.5000112K391 L393 H397 K398 Q399K391-L395 WeakPolarHBondContact O-CG 3.46Å; K391-L395 PolarHBondContact O-N 2.89Å; L393-L395 PolarHBondContact O-N 3.35Å; L395-H397 VanDerWaalsContact C-N 3.34Å; L395-H397 PolarHBondContact O-N 3.36Å; L395-K398 PolarHBondContact O-N 3.24Å; L395-Q399 WeakPolarHBondContact O-CB 3.23Å; L395-Q399 PolarHBondContact O-N 3.4Å
396K96.8Very high96.7Very high144 Ų144108.2 Ų108.263%0.62652%0.522SS*.Hα-helixtrans-64.1-37.3174.6-75.7177.4179.9179.50112.5N392 L393 Q394 Q399 A400N392-K396 WeakPolarHBondContact O-CG 3.36Å; N392-K396 PolarHBondContact O-N 3.21Å; N392-K396 VanDerWaalsContact O-N 3.17Å; L393-K396 PolarHBondContact O-N 3.47Å; Q394-K396 PolarHBondContact O-N 3.24Å; K396-Q399 PolarHBondContact O-N 3.47Å; K396-A400 WeakPolarHBondContact O-CB 3.49Å; K396-A400 PolarHBondContact O-N 2.98Å
397H97.4Very high96.6Very high127 Ų127108.4 Ų108.459%0.58852%0.522SS*.Hα-helixtrans-63.5-50.7175.2-172.7-87.3000111.4L393 Q394 L395 Q399 A400 E401L393-H397 PolarHBondContact O-N 3.48Å; Q394-H397 WeakPolarHBondContact O-CB 3.32Å; Q394-H397 PolarHBondContact O-N 2.98Å; L395-H397 VanDerWaalsContact C-N 3.34Å; L395-H397 PolarHBondContact O-N 3.36Å; H397-Q399 VanDerWaalsContact C-N 3.29Å; H397-Q399 PolarHBondContact O-N 3.02Å; H397-A400 PolarHBondContact O-N 2.93Å; H397-A400 VanDerWaalsContact O-N 3.11Å; H397-E401 PolarHBondContact O-N 3.4Å
398K96.7Very high96.4Very high138 Ų138109.3 Ų109.360%0.652%0.524SS*.Hα-helixtrans-55-44.4174.7-72.5-173.8175.9-173.80111.7Q394 L395 E401 I402Q394-K398 PolarHBondContact O-N 2.74Å; L395-K398 PolarHBondContact O-N 3.24Å; K398-E401 PolarHBondContact O-N 2.83Å; K398-I402 WeakPolarHBondContact O-CG1 3.27Å; K398-I402 PolarHBondContact O-N 3.22Å
399Q96.7Very high96.3Very high104 Ų104106.3 Ų106.349%0.48652%0.519SS..Hα-helixtrans-65.3-39.3177.6-162.9-173.632.600112.8L395 K396 H397 R403L395-Q399 WeakPolarHBondContact O-CB 3.23Å; L395-Q399 PolarHBondContact O-N 3.4Å; K396-Q399 PolarHBondContact O-N 3.47Å; H397-Q399 VanDerWaalsContact C-N 3.29Å; H397-Q399 PolarHBondContact O-N 3.02Å; Q399-R403 VanDerWaalsContact NE2-NH2 3.14Å; Q399-R403 WeakPolarHBondContact O-CG 3.37Å; Q399-R403 PolarHBondContact O-N 3.11Å; Q399-R403 VanDerWaalsContact O-N 3.16Å; Q399-R403 VanDerWaalsContact OE1-NH2 3.12Å
400A96.3Very high96.2Very high55 Ų55104.4 Ų104.446%0.45552%0.515SS..Hα-helixtrans-66-38.2175.900000111.8K396 H397 R403 R404K396-A400 WeakPolarHBondContact O-CB 3.49Å; K396-A400 PolarHBondContact O-N 2.98Å; H397-A400 PolarHBondContact O-N 2.93Å; H397-A400 VanDerWaalsContact O-N 3.11Å; A400-R403 PolarHBondContact O-N 2.8Å; A400-R404 PolarHBondContact O-N 2.99Å
401E94.2Very high96Very high61 Ų61106.2 Ų106.229%0.28552%0.522SS..Hα-helixtrans-66.8-42.2177.7-160.4-164.6139.100112.2H397 K398 R403 R404 K405H397-E401 PolarHBondContact O-N 3.4Å; K398-E401 PolarHBondContact O-N 2.83Å; E401-R403 VanDerWaalsContact C-N 3.33Å; E401-R403 PolarHBondContact O-N 2.93Å; E401-R404 WeakPolarHBondContact O-CB 3.43Å; E401-R404 PolarHBondContact O-N 3.29Å; E401-R404 VanDerWaalsContact O-N 3.17Å; E401-K405 PolarHBondContact O-N 3.3Å; E401-K405 VanDerWaalsContact OE1-CE 3.31Å; E401-K405 WeakPolarHBondContact OE1-CE 3.48Å; E401-K405 IonicContact OE1-NZ 2.68Å; E401-K405 PolarHBondContact OE1-NZ 3.43Å
402I96.6Very high95.8Very high119 Ų119105.2 Ų105.261%0.6152%0.519SS*.Hα-helixtrans-58.1-45.9172.8-67.5164.1000110.4K398 R404 K405 A406K398-I402 WeakPolarHBondContact O-CG1 3.27Å; K398-I402 PolarHBondContact O-N 3.22Å; I402-R404 VanDerWaalsContact C-N 3.34Å; I402-R404 PolarHBondContact O-N 2.89Å; I402-K405 PolarHBondContact O-N 3.35Å; I402-A406 WeakPolarHBondContact O-CB 3.48Å; I402-A406 PolarHBondContact O-N 3.48Å
403R96.7Very high95.6Very high144 Ų144107.3 Ų107.354%0.54353%0.526SS..Hα-helixtrans-63-38.5176.1-68.1175.2-165.41796.6112.3Q399 A400 E401 A406 I407Q399-R403 VanDerWaalsContact NE2-NH2 3.14Å; Q399-R403 WeakPolarHBondContact O-CG 3.37Å; Q399-R403 PolarHBondContact O-N 3.11Å; Q399-R403 VanDerWaalsContact O-N 3.16Å; Q399-R403 VanDerWaalsContact OE1-NH2 3.12Å; A400-R403 PolarHBondContact O-N 2.8Å; E401-R403 VanDerWaalsContact C-N 3.33Å; E401-R403 PolarHBondContact O-N 2.93Å; R403-A406 PolarHBondContact O-N 2.93Å; R403-I407 WeakPolarHBondContact O-CD1 3.49Å; R403-I407 VanDerWaalsContact O-CG1 3.28Å; R403-I407 WeakPolarHBondContact O-CG1 3.4Å; R403-I407 PolarHBondContact O-N 2.85Å
404R96Very high95.4Very high151 Ų151110 Ų11057%0.5753%0.529SS*.Hα-helixtrans-60.9-51.4175.5-173.6-174.970.3177.1-1.3110.6A400 E401 I402 A406 I407 E408A400-R404 PolarHBondContact O-N 2.99Å; E401-R404 WeakPolarHBondContact O-CB 3.43Å; E401-R404 PolarHBondContact O-N 3.29Å; E401-R404 VanDerWaalsContact O-N 3.17Å; I402-R404 VanDerWaalsContact C-N 3.34Å; I402-R404 PolarHBondContact O-N 2.89Å; R404-A406 VanDerWaalsContact C-N 3.34Å; R404-A406 PolarHBondContact O-N 2.96Å; R404-I407 PolarHBondContact O-N 3.44Å; R404-E408 WeakPolarHBondContact O-CB 3.47Å; R404-E408 PolarHBondContact O-N 3.3Å
405K96.9Very high95.2Very high115 Ų115111.4 Ų111.450%0.553%0.534SS..Hα-helixtrans-58.5-42.4178-75.5171.7167.6165.70111.9E401 I402 E408 A409E401-K405 PolarHBondContact O-N 3.3Å; E401-K405 VanDerWaalsContact OE1-CE 3.31Å; E401-K405 WeakPolarHBondContact OE1-CE 3.48Å; E401-K405 IonicContact OE1-NZ 2.68Å; E401-K405 PolarHBondContact OE1-NZ 3.43Å; I402-K405 PolarHBondContact O-N 3.35Å; K405-E408 PolarHBondContact O-N 3.38Å; K405-A409 WeakPolarHBondContact O-CB 3.47Å; K405-A409 PolarHBondContact O-N 3.49Å
406A94.9Very high95Very high58 Ų58110 Ų11048%0.47953%0.527SS..Hα-helixtrans-64.4-40.2175.800000113.4I402 R403 R404 E408 S410I402-A406 WeakPolarHBondContact O-CB 3.48Å; I402-A406 PolarHBondContact O-N 3.48Å; R403-A406 PolarHBondContact O-N 2.93Å; R404-A406 VanDerWaalsContact C-N 3.34Å; R404-A406 PolarHBondContact O-N 2.96Å; A406-E408 VanDerWaalsContact C-N 3.33Å; A406-S410 WeakPolarHBondContact O-CB 3.46Å; A406-S410 PolarHBondContact O-N 2.96Å
407I93.9Very high94.7Very high103 Ų103109.3 Ų109.353%0.52853%0.526SS..Hα-helixtrans-66.7-36.7175.4-70.4165.2000111.1R403 R404 K411R403-I407 WeakPolarHBondContact O-CD1 3.49Å; R403-I407 VanDerWaalsContact O-CG1 3.28Å; R403-I407 WeakPolarHBondContact O-CG1 3.4Å; R403-I407 PolarHBondContact O-N 2.85Å; R404-I407 PolarHBondContact O-N 3.44Å; I407-K411 VanDerWaalsContact O-CG 3.31Å; I407-K411 WeakPolarHBondContact O-CG 3.41Å; I407-K411 PolarHBondContact O-N 3.04Å
408E93.1Very high94.4Very high119 Ų119107.3 Ų107.356%0.55652%0.519SS*.Hα-helixtrans-68.8-46.8178.7-170.1158.4-146.200111.9R404 K405 A406 S410 K411 Q412R404-E408 WeakPolarHBondContact O-CB 3.47Å; R404-E408 PolarHBondContact O-N 3.3Å; K405-E408 PolarHBondContact O-N 3.38Å; A406-E408 VanDerWaalsContact C-N 3.33Å; E408-S410 PolarHBondContact O-N 3.17Å; E408-K411 WeakPolarHBondContact O-CB 3.41Å; E408-K411 PolarHBondContact O-N 2.97Å; E408-Q412 PolarHBondContact O-N 3.42Å
409A94.3Very high94.1Very high51 Ų51103.2 Ų103.242%0.42151%0.508SS..Hα-helixtrans-56.8-48.1171.300000112K405 K411 Q412 E413K405-A409 WeakPolarHBondContact O-CB 3.47Å; K405-A409 PolarHBondContact O-N 3.49Å; A409-K411 VanDerWaalsContact C-N 3.31Å; A409-K411 PolarHBondContact O-N 3.13Å; A409-Q412 WeakPolarHBondContact O-CB 3.49Å; A409-Q412 PolarHBondContact O-N 3.39Å; A409-E413 PolarHBondContact O-N 2.98Å
410S94.4Very high93.7Very high68 Ų68105.1 Ų105.148%0.47651%0.514SS..Hα-helixtrans-63.1-33.4178.4-176.70000113.3A406 E408 R414A406-S410 WeakPolarHBondContact O-CB 3.46Å; A406-S410 PolarHBondContact O-N 2.96Å; E408-S410 PolarHBondContact O-N 3.17Å; S410-R414 WeakPolarHBondContact O-CB 3.37Å; S410-R414 PolarHBondContact O-N 2.91Å; S410-R414 VanDerWaalsContact O-N 3.1Å
411K93.5Very high93.4Very high144 Ų144108.9 Ų108.963%0.62652%0.523SS*.Hα-helixtrans-64.9-43.4170.6-77.1172179-1790111.5I407 E408 A409 R414 F415I407-K411 VanDerWaalsContact O-CG 3.31Å; I407-K411 WeakPolarHBondContact O-CG 3.41Å; I407-K411 PolarHBondContact O-N 3.04Å; E408-K411 WeakPolarHBondContact O-CB 3.41Å; E408-K411 PolarHBondContact O-N 2.97Å; A409-K411 VanDerWaalsContact C-N 3.31Å; A409-K411 PolarHBondContact O-N 3.13Å; K411-R414 PolarHBondContact O-N 3.01Å; K411-F415 WeakPolarHBondContact O-CB 3.46Å; K411-F415 PolarHBondContact O-N 3.05Å
412Q93.9Very high92.9Very high109 Ų109109.2 Ų109.251%0.50953%0.531SS..Hα-helixtrans-65.7-43.4-179.6-166.46227.100111.6E408 A409 R414 F415 N416E408-Q412 PolarHBondContact O-N 3.42Å; A409-Q412 WeakPolarHBondContact O-CB 3.49Å; A409-Q412 PolarHBondContact O-N 3.39Å; Q412-R414 VanDerWaalsContact C-N 3.34Å; Q412-R414 PolarHBondContact O-N 2.91Å; Q412-F415 PolarHBondContact O-N 3.13Å; Q412-N416 WeakPolarHBondContact O-CB 3.31Å; Q412-N416 PolarHBondContact O-N 2.96Å; Q412-N416 PolarHBondContact O-OD1 3.46Å
413E93.7Very high92.2Very high118 Ų118108.6 Ų108.655%0.55153%0.526SS*.Hα-helixtrans-57.1-46.6172.2-71.8176.6170.900111.9A409 F415 N416 Q417A409-E413 PolarHBondContact O-N 2.98Å; E413-F415 VanDerWaalsContact C-N 3.33Å; E413-F415 PolarHBondContact O-N 2.83Å; E413-N416 PolarHBondContact O-N 2.81Å; E413-Q417 WeakPolarHBondContact O-CG 3.44Å; E413-Q417 PolarHBondContact O-N 3.36Å
414R93.4Very high91.5Very high170 Ų170105.2 Ų105.264%0.64252%0.519SS*.Hα-helixtrans-63.6-38.2178.5-166.6177.7-162.9-101.70.3112.2S410 K411 Q412 L418S410-R414 WeakPolarHBondContact O-CB 3.37Å; S410-R414 PolarHBondContact O-N 2.91Å; S410-R414 VanDerWaalsContact O-N 3.1Å; K411-R414 PolarHBondContact O-N 3.01Å; Q412-R414 VanDerWaalsContact C-N 3.34Å; Q412-R414 PolarHBondContact O-N 2.91Å; R414-L418 HydrophobicContact CG-CD1 4.41Å; R414-L418 WeakPolarHBondContact O-CG 3.34Å; R414-L418 PolarHBondContact O-N 3.33Å
415F93.9Very high90.6Very high131 Ų131105.1 Ų105.158%0.57552%0.519SS*.Hα-helixtrans-65.4-44.9174.4-177.6-99.1000111.4K411 Q412 E413 Q417 L418 S419K411-F415 WeakPolarHBondContact O-CB 3.46Å; K411-F415 PolarHBondContact O-N 3.05Å; Q412-F415 PolarHBondContact O-N 3.13Å; E413-F415 VanDerWaalsContact C-N 3.33Å; E413-F415 PolarHBondContact O-N 2.83Å; F415-Q417 VanDerWaalsContact C-N 3.32Å; F415-Q417 PolarHBondContact O-N 3.38Å; F415-L418 PolarHBondContact O-N 2.81Å; F415-S419 WeakPolarHBondContact O-CB 3.41Å; F415-S419 PolarHBondContact O-N 3.37Å
416N92Very high89.6Confident81 Ų81104 Ų10443%0.43352%0.519SS..Hα-helixtrans-61.9-37.9176.7-67.6-11.2000112.1Q412 E413 K420Q412-N416 WeakPolarHBondContact O-CB 3.31Å; Q412-N416 PolarHBondContact O-N 2.96Å; Q412-N416 PolarHBondContact O-OD1 3.46Å; E413-N416 PolarHBondContact O-N 2.81Å; N416-K420 WeakPolarHBondContact O-CG 3.5Å; N416-K420 PolarHBondContact O-N 3.21Å; N416-K420 VanDerWaalsContact O-N 3.13Å
417Q91Very high88.4Confident129 Ų129108.1 Ų108.160%0.60352%0.522SS*.Hα-helixtrans-65.5-44.8173.7-71.4172.420.500112.2E413 F415 S419 K420 Q421E413-Q417 WeakPolarHBondContact O-CG 3.44Å; E413-Q417 PolarHBondContact O-N 3.36Å; F415-Q417 VanDerWaalsContact C-N 3.32Å; F415-Q417 PolarHBondContact O-N 3.38Å; Q417-S419 VanDerWaalsContact C-N 3.33Å; Q417-S419 PolarHBondContact O-N 2.92Å; Q417-K420 PolarHBondContact O-N 3.23Å; Q417-Q421 PolarHBondContact O-N 3.42Å
418L90.6Very high87.3Confident86 Ų86109.7 Ų109.745%0.4553%0.527SS..Hα-helixtrans-63.4-38.5176.3-74.2164.7000112.1R414 F415 Q421 S422R414-L418 HydrophobicContact CG-CD1 4.41Å; R414-L418 WeakPolarHBondContact O-CG 3.34Å; R414-L418 PolarHBondContact O-N 3.33Å; F415-L418 PolarHBondContact O-N 2.81Å; L418-Q421 PolarHBondContact O-N 3.05Å; L418-S422 PolarHBondContact O-N 2.99Å
419S89.8Confident86.4Confident52 Ų52109.6 Ų109.636%0.36453%0.525SS..Hα-helixtrans-61.2-47.3175.2-175.30000111.7F415 Q417 Q421 S422 Q423F415-S419 WeakPolarHBondContact O-CB 3.41Å; F415-S419 PolarHBondContact O-N 3.37Å; Q417-S419 VanDerWaalsContact C-N 3.33Å; Q417-S419 PolarHBondContact O-N 2.92Å; S419-Q421 PolarHBondContact O-N 3.47Å; S419-S422 PolarHBondContact O-N 3.11Å; S419-Q423 PolarHBondContact O-N 2.96Å; S419-Q423 VanDerWaalsContact O-N 3.13Å
420K89.2Confident84.7Confident143 Ų143110 Ų11062%0.62252%0.524SS*.Hα-helixtrans-58.3-45.6173.3-72.6179.4178-1760112N416 Q417 S422 Q423 D424N416-K420 WeakPolarHBondContact O-CG 3.5Å; N416-K420 PolarHBondContact O-N 3.21Å; N416-K420 VanDerWaalsContact O-N 3.13Å; Q417-K420 PolarHBondContact O-N 3.23Å; K420-S422 VanDerWaalsContact C-N 3.29Å; K420-S422 PolarHBondContact O-N 2.97Å; K420-Q423 PolarHBondContact O-N 3.19Å; K420-D424 PolarHBondContact O-N 3.4Å
421Q88.8Confident83.1Confident135 Ų135111.5 Ų111.563%0.63153%0.526SS*.Hα-helixtrans-61.2-36.2178.9-169178.48.100112.5Q417 L418 S419 Y425Q417-Q421 PolarHBondContact O-N 3.42Å; L418-Q421 PolarHBondContact O-N 3.05Å; S419-Q421 PolarHBondContact O-N 3.47Å; Q421-Y425 WeakPolarHBondContact O-CB 3.33Å; Q421-Y425 PolarHBondContact O-N 3.46Å; Q421-Y425 VanDerWaalsContact O-N 3.1Å
422S83.3Confident81.1Confident67 Ų67107.6 Ų107.647%0.46952%0.517SS..Hα-helixtrans-65.4-46.3174.3-1620000111.9L418 S419 K420 D424 Y425 D426L418-S422 PolarHBondContact O-N 2.99Å; S419-S422 PolarHBondContact O-N 3.11Å; K420-S422 VanDerWaalsContact C-N 3.29Å; K420-S422 PolarHBondContact O-N 2.97Å; S422-D424 VanDerWaalsContact C-N 3.3Å; S422-D424 PolarHBondContact O-N 3.02Å; S422-Y425 PolarHBondContact O-N 3.05Å; S422-D426 PolarHBondContact O-N 3.3Å
423Q83.2Confident79.2Confident107 Ų107107.2 Ų107.250%0.552%0.518SS..Hα-helixtrans-60.8-38.7178.7-69-179.7-3.200112.6S419 K420 R427S419-Q423 PolarHBondContact O-N 2.96Å; S419-Q423 VanDerWaalsContact O-N 3.13Å; K420-Q423 PolarHBondContact O-N 3.19Å; Q423-R427 PolarHBondContact O-N 3.33Å
424D82.7Confident77.2Confident72 Ų72111 Ų11139%0.38553%0.528SS..Hα-helixtrans-73.8-32.6178.7-69.2-24.3000112.6K420 S422 R427 Q428K420-D424 PolarHBondContact O-N 3.4Å; S422-D424 VanDerWaalsContact C-N 3.3Å; S422-D424 PolarHBondContact O-N 3.02Å; D424-R427 PolarHBondContact O-N 3.01Å; D424-R427 IonicContact OD1-CZ 3.42Å; D424-R427 IonicContact OD1-NE 3.23Å; D424-R427 PolarHBondContact OD1-NE 3.28Å; D424-R427 IonicContact OD1-NH2 2.74Å; D424-R427 PolarHBondContact OD1-NH2 2.96Å; D424-Q428 WeakPolarHBondContact O-CG 3.34Å; D424-Q428 PolarHBondContact O-N 2.93Å
425Y77.1Confident75.2Confident150 Ų150110.1 Ų110.159%0.58853%0.531SS*.Hα-helixtrans-63.4-45.5171.6-177.1-103000111.9Q421 S422 R427 Q428 K429Q421-Y425 WeakPolarHBondContact O-CB 3.33Å; Q421-Y425 PolarHBondContact O-N 3.46Å; Q421-Y425 VanDerWaalsContact O-N 3.1Å; S422-Y425 PolarHBondContact O-N 3.05Å; Y425-R427 PolarHBondContact O-N 3.01Å; Y425-Q428 PolarHBondContact O-N 3.42Å; Y425-K429 WeakPolarHBondContact O-CB 3.45Å; Y425-K429 PolarHBondContact O-N 2.97Å
426D74.9Confident72.9Confident91 Ų91111.2 Ų111.249%0.48754%0.538SS..Hα-helixtrans-65.9-38177-71.5-40.9000112.1S422 K429 S430S422-D426 PolarHBondContact O-N 3.3Å; D426-K429 PolarHBondContact O-N 3.26Å; D426-S430 PolarHBondContact O-N 3.33Å
427R70.2Confident70.6Confident145 Ų145115.9 Ų115.955%0.54756%0.556SS.*Hα-helixtrans-58.3-50.7170.4-86-167.8-83.9-115.4-1111.9Q423 D424 Y425 K429 S430 I431Q423-R427 PolarHBondContact O-N 3.33Å; D424-R427 PolarHBondContact O-N 3.01Å; D424-R427 IonicContact OD1-CZ 3.42Å; D424-R427 IonicContact OD1-NE 3.23Å; D424-R427 PolarHBondContact OD1-NE 3.28Å; D424-R427 IonicContact OD1-NH2 2.74Å; D424-R427 PolarHBondContact OD1-NH2 2.96Å; Y425-R427 PolarHBondContact O-N 3.01Å; R427-K429 VanDerWaalsContact C-N 3.33Å; R427-K429 PolarHBondContact O-N 3.38Å; R427-S430 PolarHBondContact O-N 3.13Å; R427-S430 PolarHBondContact O-OG 3.39Å; R427-I431 WeakPolarHBondContact O-CG1 3.47Å; R427-I431 PolarHBondContact O-N 2.94Å
428Q71Confident68.2Low136 Ų136117.8 Ų117.864%0.63657%0.565SS**Hα-helixtrans-60.4-41.5178.8-73.4-179.51600112.3D424 Y425 S430 I431 S432D424-Q428 WeakPolarHBondContact O-CG 3.34Å; D424-Q428 PolarHBondContact O-N 2.93Å; Y425-Q428 PolarHBondContact O-N 3.42Å; Q428-S430 VanDerWaalsContact C-N 3.32Å; Q428-S430 PolarHBondContact O-N 2.98Å; Q428-I431 PolarHBondContact O-N 3.35Å; Q428-S432 PolarHBondContact O-N 3.17Å
429K73Confident65.6Low117 Ų117122.8 Ų122.851%0.50958%0.583SS.*Hα-helixtrans-61.2-39.9176.7-165.8177.1-178.3-1740112.1Y425 D426 R427 I431 S432 N433Y425-K429 WeakPolarHBondContact O-CB 3.45Å; Y425-K429 PolarHBondContact O-N 2.97Å; D426-K429 PolarHBondContact O-N 3.26Å; R427-K429 VanDerWaalsContact C-N 3.33Å; R427-K429 PolarHBondContact O-N 3.38Å; K429-I431 VanDerWaalsContact C-N 3.35Å; K429-I431 PolarHBondContact O-N 3.28Å; K429-S432 PolarHBondContact O-N 3.1Å; K429-N433 PolarHBondContact O-N 3.39Å; K429-N433 VanDerWaalsContact O-N 3.14Å
430S59.9Low63.3Low58 Ų58125.3 Ų125.341%0.40660%0.599SS.*Hα-helixtrans-64.7-35.8176.282.10000113.2D426 R427 Q428 R434D426-S430 PolarHBondContact O-N 3.33Å; R427-S430 PolarHBondContact O-N 3.13Å; R427-S430 PolarHBondContact O-OG 3.39Å; Q428-S430 VanDerWaalsContact C-N 3.32Å; Q428-S430 PolarHBondContact O-N 2.98Å; S430-R434 PolarHBondContact O-N 3.12Å
431I60.5Low60.8Low100 Ų100124 Ų12451%0.51361%0.608SS.*Hα-helixtrans-71.8-45.1178.3-63.6164.4000110.2R427 Q428 K429 N433 R434 Q435R427-I431 WeakPolarHBondContact O-CG1 3.47Å; R427-I431 PolarHBondContact O-N 2.94Å; Q428-I431 PolarHBondContact O-N 3.35Å; K429-I431 VanDerWaalsContact C-N 3.35Å; K429-I431 PolarHBondContact O-N 3.28Å; I431-N433 VanDerWaalsContact C-N 3.34Å; I431-N433 PolarHBondContact O-N 3.48Å; I431-R434 PolarHBondContact O-N 2.97Å; I431-Q435 PolarHBondContact O-N 3.46Å
432S50.7Low58.2Low63 Ų63125 Ų12544%0.44162%0.617SS.*Hα-helixtrans-59.3-42.7178.5-172.70000112.2Q428 K429 R434 Q435Q428-S432 PolarHBondContact O-N 3.17Å; K429-S432 PolarHBondContact O-N 3.1Å; S432-R434 VanDerWaalsContact C-N 3.34Å; S432-R434 PolarHBondContact O-N 3.4Å; S432-Q435 PolarHBondContact O-N 2.78Å
433N54.3Low55.7Low100 Ų100132.7 Ų132.754%0.53564%0.636SS.*Hα-helixtrans-66.2-31.8179.2-80.61.3000113.3K429 I431 Q435K429-N433 PolarHBondContact O-N 3.39Å; K429-N433 VanDerWaalsContact O-N 3.14Å; I431-N433 VanDerWaalsContact C-N 3.34Å; I431-N433 PolarHBondContact O-N 3.48Å; N433-Q435 VanDerWaalsContact C-N 3.32Å; N433-Q435 PolarHBondContact O-N 2.93Å
434R51.9Low53.2Low199 Ų199136.3 Ų136.375%0.75166%0.658SS**Hα-helixtrans-66.8-32.2176.2-70.8-169.6-160.7-149.26.2112.8S430 I431 S432S430-R434 PolarHBondContact O-N 3.12Å; I431-R434 PolarHBondContact O-N 2.97Å; S432-R434 VanDerWaalsContact C-N 3.34Å; S432-R434 PolarHBondContact O-N 3.4Å
435Q52.2Low50.7Low151 Ų151138.1 Ų138.171%0.70668%0.676SS**Hα-helixtrans-75.3-28.7-177.7-67.2-1711.600113.4I431 S432 N433 H437I431-Q435 PolarHBondContact O-N 3.46Å; S432-Q435 PolarHBondContact O-N 2.78Å; N433-Q435 VanDerWaalsContact C-N 3.32Å; N433-Q435 PolarHBondContact O-N 2.93Å; Q435-H437 PolarHBondContact O-N 2.94Å
436Q45.2Very low48.3Very low154 Ų154136.7 Ų136.772%0.7269%0.688SS**Hα-helixtrans-76.7-19.1-177.8-64.6-153.50.400114.5Q438Q436-Q438 VanDerWaalsContact C-N 3.34Å; Q436-Q438 PolarHBondContact O-N 3.08Å
437H42.2Very low46Very low178 Ų178138.2 Ų138.282%0.82470%0.704SS**THydrogen-bonded Turntrans-83.1-0.1177.7-81.8-73.3000115.1Q435Q435-H437 PolarHBondContact O-N 2.94Å
438Q40.7Very low43.9Very low170 Ų170142 Ų14279%0.79472%0.719SS**THydrogen-bonded Turntrans-104.923.6179.3-68.8-167.6-7.400114.6Q436 P440Q436-Q438 VanDerWaalsContact C-N 3.34Å; Q436-Q438 PolarHBondContact O-N 3.08Å; Q438-P440 VanDerWaalsContact O-CD 3.25Å; Q438-P440 WeakPolarHBondContact O-CD 3.43Å
439K36.7Very low42Very low190 Ų190140.9 Ų140.983%0.82673%0.726SS**  trans-101.298.1175.6-145.4170.6-170176.20110.6S441K439-S441 PolarHBondContact O-N 3.45Å
440P41.1Very low39.8Very low105 Ų105141.6 Ų141.668%0.68274%0.735SS**  trans-66.1131.6-176.326.2-34000111.1Q438 N442Q438-P440 VanDerWaalsContact O-CD 3.25Å; Q438-P440 WeakPolarHBondContact O-CD 3.43Å; P440-N442 PolarHBondContact O-N 3.24Å
441S37.8Very low38.5Very low116 Ų116146 Ų14681%0.81175%0.754SS**  trans-77.3100.8178.1-1710000110K439 R443K439-S441 PolarHBondContact O-N 3.45Å; S441-R443 PolarHBondContact O-N 3.15Å
442N33.9Very low36.8Very low156 Ų156148.6 Ų148.683%0.83477%0.767SS**  trans-67.689.4175.6-78.1-20.2000111.1P440P440-N442 PolarHBondContact O-N 3.24Å
443R30.4Very low35.9Very low228 Ų228152.8 Ų152.886%0.8678%0.784SS**  trans-119.8105.4159.7-120.3-179.3-175.1177.31.9110S441 S445S441-R443 PolarHBondContact O-N 3.15Å; R443-S445 VanDerWaalsContact C-N 3.35Å; R443-S445 PolarHBondContact O-N 2.79Å
444L30.8Very low34.6Very low184 Ų184155.2 Ų155.296%0.96380%0.797SS**  trans-68.685.8174.1-74.7149.9000110.2
445S30.1Very low33.4Very low109 Ų109156.8 Ų156.876%0.76281%0.805SS**  trans-97.991.6162.458.40000109.3R443 C447R443-S445 VanDerWaalsContact C-N 3.35Å; R443-S445 PolarHBondContact O-N 2.79Å; S445-C447 PolarHBondContact O-N 3.01Å
446S26.3Very low32.2Very low120 Ų120160.7 Ų160.784%0.83981%0.813SS**  trans-69.391.2176.4165.70000111.2
447C27.5Very low31.4Very low123 Ų123162.9 Ų162.983%0.83182%0.82SS**  trans-123.2116.3159.1-84.30000110S445S445-C447 PolarHBondContact O-N 3.01Å
448R25.2Very low30.8Very low226 Ų226162.9 Ų162.985%0.85382%0.823SS**  trans-83.7106.9-169.3179.6-170.1-165177.83.8110.6
449S31.3Very low30.1Very low112 Ų112161.3 Ų161.378%0.78382%0.819SS**  trans-125.9101.3162.838.50000109.6L451S449-L451 PolarHBondContact O-N 3.37Å
450N27.8Very low29.8Very low131 Ų131158.7 Ų158.770%0.70182%0.815SS**  trans-69.1112.9175.7-67.7-27.2000109.4
451L31Very low29.2Very low152 Ų152160 Ų16080%0.79682%0.816SS**  trans-135.695.2156.1-155.374.3000109.1S449 L453S449-L451 PolarHBondContact O-N 3.37Å; L451-L453 HydrophobicContact CD2-CD1 4.19Å; L451-L453 HydrophobicContact CG-CD1 4.34Å; L451-L453 PolarHBondContact O-N 2.88Å; L451-L453 VanDerWaalsContact O-N 3.1Å
452L26.8Very low28.7Very low153 Ų153159.5 Ų159.580%0.80181%0.813SS**  trans-62.4108.1167.2-88.172.2000108
453L30.7Very low28.6Very low152 Ų152160 Ų16080%0.79681%0.813SS**  trans-108.9129.2158.7-118.774.9000109.3L451L451-L453 HydrophobicContact CD2-CD1 4.19Å; L451-L453 HydrophobicContact CG-CD1 4.34Å; L451-L453 PolarHBondContact O-N 2.88Å; L451-L453 VanDerWaalsContact O-N 3.1Å
454N27.9Very low28.3Very low151 Ų151159 Ų15981%0.80782%0.815SS**  trans-66.6140.6-161.7-76.4-62.9000114.1R456N454-R456 PolarHBondContact O-N 3.32Å
455Y25.9Very low28.3Very low231 Ų231156.8 Ų156.891%0.90681%0.809SS**  trans-56.1119.2159.2-86.2-100.3000110.1
456R27.9Very low28.2Very low233 Ų233156.8 Ų156.888%0.87981%0.809SS**  trans-124.794.3159.6-134.2178-163.1175.15.7109.7N454 M458N454-R456 PolarHBondContact O-N 3.32Å; R456-M458 PolarHBondContact O-N 3.49Å; R456-M458 VanDerWaalsContact O-N 3.1Å
457K27.7Very low28.3Very low201 Ų201156.3 Ų156.387%0.87481%0.806SS**  trans-56.6111.1166-81.5176.5170.6176.20108.3
458M29.6Very low28.3Very low178 Ų178158.3 Ų158.388%0.87781%0.807SS**  trans-102.1101.1158.8-71.4-158-68.100108.5R456R456-M458 PolarHBondContact O-N 3.49Å; R456-M458 VanDerWaalsContact O-N 3.1Å
459N25.3Very low28.5Very low136 Ų136156.5 Ų156.573%0.72781%0.806SS**  trans-69.8136.6164.3174.727000108.8
460N30.4Very low28.3Very low135 Ų135158.2 Ų158.272%0.72281%0.806SS**  trans-172.9116152.3-95.4-28.1000110.4
461N29.8Very low28.4Very low133 Ų133157.3 Ų157.371%0.71181%0.805SS**  trans52145.2135.7-49-27.3000120.5
462S26.7Very low28.2Very low106 Ų106157.3 Ų157.374%0.74181%0.806SS**  cis-168.9121-17.945.10000106.8
463I30.9Very low28.3Very low165 Ų165158.3 Ų158.385%0.84681%0.807SS**  trans-116.7108.8172.9-62.5-178.9000107.7V465I463-V465 PolarHBondContact O-N 3.02Å; I463-V465 VanDerWaalsContact O-N 3.12Å
464K25.4Very low28.2Very low209 Ų209156 Ų15691%0.90980%0.803SS**  trans-63108.8175.1-81.9178.3171177.50109.3
465V29.2Very low28Very low136 Ų136157.6 Ų157.682%0.82481%0.808SS**  trans-85.9105.9160.9179.40000106.9I463 S467I463-V465 PolarHBondContact O-N 3.02Å; I463-V465 VanDerWaalsContact O-N 3.12Å; V465-S467 PolarHBondContact O-N 2.93Å
466S29.7Very low28.1Very low109 Ų109154 Ų15476%0.76280%0.803SS**PPolyproline II helixtrans-71.7122.717350.20000109.9L468S466-L468 PolarHBondContact O-N 3.21Å
467S27.7Very low28Very low111 Ų111148.5 Ų148.578%0.77680%0.795SS**PPolyproline II helixtrans-63.1119.2177.353.90000112.1V465V465-S467 PolarHBondContact O-N 2.93Å
468L28Very low27.9Very low165 Ų165143.7 Ų143.786%0.86479%0.787SS**PPolyproline II helixtrans-86.8125.9158-152.472.3000107.4S466S466-L468 PolarHBondContact O-N 3.21Å
469K28.7Very low27.8Very low188 Ų188140.3 Ų140.382%0.81778%0.781SS**  trans-82.8115.7-179.9-91.4-179.2169.9-1790110.1T471K469-T471 PolarHBondContact O-N 3.14Å; K469-T471 VanDerWaalsContact O-N 3.11Å
470D28.1Very low27.7Very low147 Ų147140.2 Ų140.279%0.78679%0.785SS**  trans-64.9107.8165.1-61.8-48000109.4
471T29.5Very low27.6Very low112 Ų112139.8 Ų139.869%0.68779%0.787SS**  trans-110.492.1173.3-480000107.9K469 E473K469-T471 PolarHBondContact O-N 3.14Å; K469-T471 VanDerWaalsContact O-N 3.11Å; T471-E473 PolarHBondContact O-N 2.95Å
472N26.2Very low27.4Very low152 Ų152138.6 Ų138.681%0.81379%0.785SS**  trans-81.296.6179.1-69.1-54.2000110.1
473E29.8Very low27.4Very low174 Ų174141 Ų14181%0.81379%0.788SS**  trans-136.1145.6168.4-73.3-163.9165.800113.6T471T471-E473 PolarHBondContact O-N 2.95Å
474S26.9Very low27.1Very low103 Ų103138.2 Ų138.272%0.7278%0.779SS**  trans70.693.9166.7-152.90000118.6I476S474-I476 PolarHBondContact O-N 3.28Å
475M23.5Very low27Very low185 Ų185134.2 Ų134.291%0.91177%0.772SS**  trans-62.4114.8153.9-68.8161.957.300109.9
476I29Very low26.9Very low157 Ų157134.9 Ų134.981%0.80577%0.77SS**  trans-104114159-62.9-177000109.5S474S474-I476 PolarHBondContact O-N 3.28Å
477T26.2Very low26.8Very low116 Ų116135 Ų13571%0.71276%0.762SS**  trans-48.3130.4-178.1-52.40000114.5
478S25.3Very low26.8Very low100 Ų100141.5 Ų141.570%0.69977%0.769SS**  trans-13.9129.6161.857.10000119
479S26.7Very low26.9Very low108 Ų108139.1 Ų139.176%0.75576%0.757SS**  trans-129.5121.7138.8600000109.7T481S479-T481 PolarHBondContact O-N 3.14Å
480V24.8Very low27Very low134 Ų134135.8 Ų135.881%0.81275%0.753SS**  trans-82.694.6-176.81780000109.4T482V480-T482 PolarHBondContact O-N 3.2Å
481T28.1Very low26.9Very low125 Ų125135.6 Ų135.677%0.76776%0.757SS**  trans-80.4106173.6-50.70000109.9S479 I483S479-T481 PolarHBondContact O-N 3.14Å; T481-I483 PolarHBondContact O-N 3.27Å
482T25.3Very low26.8Very low108 Ų108135.6 Ų135.666%0.66376%0.757SS**  trans-48.5116.5-178.4-53.90000112.8V480 T484V480-T482 PolarHBondContact O-N 3.2Å; T482-T484 PolarHBondContact O-N 3.4Å; T482-T484 PolarHBondContact O-OG1 3.45Å
483I25.5Very low26.8Very low156 Ų156132.1 Ų132.180%0.875%0.749SS**  trans-67.987.4168.5-58176.4000108.1T481 T485T481-I483 PolarHBondContact O-N 3.27Å; I483-T485 PolarHBondContact O-N 2.92Å
484T24.8Very low26.6Very low107 Ų107129.4 Ų129.466%0.65674%0.744SS**  trans-70.4103.5176.6-56.60000107.7T482 I486T482-T484 PolarHBondContact O-N 3.4Å; T482-T484 PolarHBondContact O-OG1 3.45Å; T484-I486 VanDerWaalsContact C-N 3.32Å; T484-I486 PolarHBondContact O-N 3.17Å
485T24.8Very low26.7Very low125 Ų125131.4 Ų131.477%0.76775%0.746SS**  trans-71.289.4-179.2-60.70000108.7I483 N487I483-T485 PolarHBondContact O-N 2.92Å; T485-N487 PolarHBondContact O-N 2.99Å
486I26.4Very low27Very low151 Ų151131.6 Ų131.677%0.77474%0.742SS**  trans-67.4102.2176.6-61.8179.5000108.2T484 R488T484-I486 VanDerWaalsContact C-N 3.32Å; T484-I486 PolarHBondContact O-N 3.17Å; I486-R488 PolarHBondContact O-N 3.23Å
487N28.1Very low27Very low112 Ų112128.4 Ų128.460%0.59973%0.732SS**  trans-55120179.2-174.40.9000110.2T485 N489T485-N487 PolarHBondContact O-N 2.99Å; N487-N489 PolarHBondContact ND2-ND2 3.14Å; N487-N489 PolarHBondContact ND2-OD1 3.28Å; N487-N489 PolarHBondContact O-N 3.07Å; N487-N489 PolarHBondContact OD1-OD1 2.95Å
488R26.1Very low27.3Very low246 Ų246128.9 Ų128.993%0.92874%0.737SS**  trans-7361177.3-82.2-173.3168.9128.1-4.4111.6I486 T490I486-R488 PolarHBondContact O-N 3.23Å; R488-T490 PolarHBondContact O-N 3.4Å; R488-T490 VanDerWaalsContact O-N 3.09Å
489N31.4Very low27.5Very low115 Ų115133.3 Ų133.362%0.61574%0.744SS**  trans-73.899168.4-76.3-17.9000109.3N487 V491N487-N489 PolarHBondContact ND2-ND2 3.14Å; N487-N489 PolarHBondContact ND2-OD1 3.28Å; N487-N489 PolarHBondContact O-N 3.07Å; N487-N489 PolarHBondContact OD1-OD1 2.95Å; N489-V491 PolarHBondContact O-N 2.9Å
490T30.4Very low27.9Very low118 Ų118132 Ų13272%0.72475%0.748SS**  trans33.574.6149.152.50000115.7R488 T492R488-T490 PolarHBondContact O-N 3.4Å; R488-T490 VanDerWaalsContact O-N 3.09Å; T490-T492 PolarHBondContact O-N 3.49Å
491V25.7Very low28.2Very low143 Ų143135.3 Ų135.387%0.86775%0.752SS**  trans-65.789.1154.7-179.90000106.5N489 A493N489-V491 PolarHBondContact O-N 2.9Å; V491-A493 VanDerWaalsContact C-N 3.3Å; V491-A493 PolarHBondContact O-N 2.82Å
492T27.1Very low28.4Very low112 Ų112133 Ų13369%0.68775%0.752SS**  trans-65.498.4170.5-55.30000105.5T490 T494T490-T492 PolarHBondContact O-N 3.49Å; T492-T494 VanDerWaalsContact C-N 3.27Å; T492-T494 PolarHBondContact O-N 3.18Å; T492-T494 PolarHBondContact O-OG1 2.99Å
493A26.9Very low28.8Very low79 Ų79130.8 Ų130.865%0.65374%0.741SS**  trans-64.194.5177.100000107.7V491 I495V491-A493 VanDerWaalsContact C-N 3.3Å; V491-A493 PolarHBondContact O-N 2.82Å; A493-I495 PolarHBondContact O-N 3.29Å
494T26.2Very low29.3Very low117 Ų117129.6 Ų129.672%0.71875%0.747SS**  trans-65.489.2174.5-49.70000107.2T492 K496T492-T494 VanDerWaalsContact C-N 3.27Å; T492-T494 PolarHBondContact O-N 3.18Å; T492-T494 PolarHBondContact O-OG1 2.99Å; T494-K496 PolarHBondContact O-N 3.42Å
495I28.2Very low29.8Very low146 Ų146128.8 Ų128.875%0.74974%0.742SS**  trans-60.495.1171.6-62173.6000105.6A493 C497A493-I495 PolarHBondContact O-N 3.29Å; I495-C497 PolarHBondContact O-N 3.07Å
496K29.6Very low30.5Very low189 Ų189127.9 Ų127.982%0.82274%0.738SS**  trans-65.686.5172.2-75.7-178.6176.1177.40107T494T494-K496 PolarHBondContact O-N 3.42Å
497C29.1Very low31Very low90 Ų90130.4 Ų130.461%0.60874%0.738SS**  trans-51.9126.5162.6-75.80000107.2I495 F499I495-C497 PolarHBondContact O-N 3.07Å; C497-F499 PolarHBondContact O-N 3.06Å
498P31.8Very low31.7Very low125 Ų125133.9 Ų133.981%0.81275%0.748SS**  trans-61.5116.1178.223.7-32.1000108.5G500P498-G500 PolarHBondContact O-N 3.39Å
499F30.9Very low32.8Very low194 Ų194126.9 Ų126.985%0.85173%0.732SS**  trans-61.5108174.7-83.1-99.8000108.5C497 F501C497-F499 PolarHBondContact O-N 3.06Å; F499-F501 PolarHBondContact O-N 3.16Å
500G34Very low33.4Very low81 Ų81126.9 Ų126.984%0.83574%0.74SS**  trans-68.296.4175.400000110.3P498 G502P498-G500 PolarHBondContact O-N 3.39Å; G500-G502 PolarHBondContact O-N 2.9Å
501F32.6Very low34.4Very low203 Ų203127.5 Ų127.589%0.8973%0.73SS**  trans-60.4129.1173.2-95.4-99.6000111.3F499F499-F501 PolarHBondContact O-N 3.16Å
502G30.6Very low35.8Very low75 Ų75124.3 Ų124.377%0.77371%0.711SS**SBendtrans72.658.9141.600000119.2G500G500-G502 PolarHBondContact O-N 2.9Å
503S34.3Very low37.3Very low63 Ų63123.8 Ų123.844%0.44171%0.712SS.*  trans-159.9132.3137.863.10000111.2T505S503-T505 PolarHBondContact O-N 3.44Å; S503-T505 VanDerWaalsContact O-N 3.11Å; S503-T505 PolarHBondContact OG-OG1 3.48Å
504S35.8Very low38.8Very low130 Ų130127.3 Ų127.391%0.90971%0.713SS**SBendtrans-69-3.1177.952.40000114.5
505T36.5Very low40.3Very low91 Ų91126 Ų12656%0.55870%0.698SS**SBendtrans-84.7119.6172.338.70000111S503 R507S503-T505 PolarHBondContact O-N 3.44Å; S503-T505 VanDerWaalsContact O-N 3.11Å; S503-T505 PolarHBondContact OG-OG1 3.48Å; T505-R507 PolarHBondContact O-N 3.06Å
506P39.3Very low41.7Very low105 Ų105124 Ų12468%0.68269%0.689SS**  trans-66.9107.317726.9-33.3000109.9F508P506-F508 PolarHBondContact O-N 3.39Å
507R37Very low42.9Very low204 Ų204121.4 Ų121.477%0.7768%0.681SS**  trans-77.3109.8170.3-63.3-173.1-174.2-163.81.6108.4T505 V509T505-R507 PolarHBondContact O-N 3.06Å; R507-V509 PolarHBondContact O-N 3.34Å
508F42.8Very low44Very low185 Ų185124.6 Ų124.681%0.81169%0.686SS**  trans-63.1105.1169.3-68.9-87000109.1P506 C510P506-F508 PolarHBondContact O-N 3.39Å; F508-C510 PolarHBondContact O-N 3.42Å
509V48.7Very low44.6Very low99 Ų99125.9 Ų125.960%0.668%0.68SS**  trans-78.5102.7169.7179.70000107.3R507 Y511R507-V509 PolarHBondContact O-N 3.34Å; V509-Y511 HydrophobicContact CG1-CD1 4.48Å; V509-Y511 HydrophobicContact CG1-CE1 4.21Å; V509-Y511 PolarHBondContact O-N 3.09Å; V509-Y511 VanDerWaalsContact O-N 3.08Å
510C44.2Very low45.2Very low116 Ų116123.5 Ų123.578%0.78467%0.669SS**  trans-71.498.9171.8-67.20000109.2F508F508-C510 PolarHBondContact O-N 3.42Å
511Y51.5Low45.4Very low130 Ų130128.7 Ų128.751%0.5167%0.665SS.*  trans-62.5135.2170.4-64.3-72.5000110.6V509 E515V509-Y511 HydrophobicContact CG1-CD1 4.48Å; V509-Y511 HydrophobicContact CG1-CE1 4.21Å; V509-Y511 PolarHBondContact O-N 3.09Å; V509-Y511 VanDerWaalsContact O-N 3.08Å; Y511-E515 HydrophobicContact CD1-CB 4.16Å
512T53.9Low45.6Very low76 Ų76124.5 Ų124.547%0.46666%0.658SS.*  trans-67.7154.3167.862.20000110.1K514 E515 L516T512-K514 PolarHBondContact O-N 3.38Å; T512-K514 VanDerWaalsContact O-N 3.08Å; T512-E515 WeakPolarHBondContact CB-OE2 3.44Å; T512-E515 PolarHBondContact N-OE2 3.17Å; T512-E515 PolarHBondContact O-N 3.03Å; T512-E515 WeakPolarHBondContact OG1-CG 3.24Å; T512-E515 PolarHBondContact OG1-N 3.2Å; T512-E515 PolarHBondContact OG1-OE2 3.08Å; T512-L516 PolarHBondContact O-N 3.49Å; T512-L516 VanDerWaalsContact O-N 3.16Å
513S59.8Low45.8Very low101 Ų101126.1 Ų126.171%0.70666%0.657SS**Hα-helixtrans-56-25.7173.946.60000113M517S513-M517 WeakPolarHBondContact O-CG 3.27Å; S513-M517 PolarHBondContact O-N 3.08Å
514K57.6Low45.8Very low154 Ų154129 Ų12967%0.6767%0.672SS**Hα-helixtrans-70.4-40.5174.2-166.5177-177.9-177.30112.8T512 M517 H518T512-K514 PolarHBondContact O-N 3.38Å; T512-K514 VanDerWaalsContact O-N 3.08Å; K514-M517 PolarHBondContact O-N 3.28Å; K514-H518 PolarHBondContact O-CD2 3.01Å; K514-H518 VanDerWaalsContact O-CD2 3.28Å
515E58.2Low45.5Very low90 Ų90130 Ų13042%0.42167%0.665SS.*Hα-helixtrans-69.8-39.7177-70.3159.4131.300111.3Y511 T512 M517 H518 F519Y511-E515 HydrophobicContact CD1-CB 4.16Å; T512-E515 WeakPolarHBondContact CB-OE2 3.44Å; T512-E515 PolarHBondContact N-OE2 3.17Å; T512-E515 PolarHBondContact O-N 3.03Å; T512-E515 WeakPolarHBondContact OG1-CG 3.24Å; T512-E515 PolarHBondContact OG1-N 3.2Å; T512-E515 PolarHBondContact OG1-OE2 3.08Å; E515-M517 PolarHBondContact O-N 3.48Å; E515-H518 PolarHBondContact O-N 2.97Å; E515-F519 WeakPolarHBondContact O-CD2 3.33Å
516L58.4Low45.1Very low104 Ų104133.9 Ų133.955%0.54568%0.675SS.*Hα-helixtrans-59.9-31.9174.7-76.7164.3000113.1T512 H518 F519T512-L516 PolarHBondContact O-N 3.49Å; T512-L516 VanDerWaalsContact O-N 3.16Å; L516-H518 VanDerWaalsContact C-N 3.31Å; L516-H518 PolarHBondContact O-N 3.04Å; L516-F519 PolarHBondContact O-N 3.24Å
517M54.2Low44.5Very low134 Ų134132.4 Ų132.466%0.6667%0.671SS**Hα-helixtrans-66.1-30.9174.1-72.7-80.2-124.600112.8S513 K514 E515 F519 K520S513-M517 WeakPolarHBondContact O-CG 3.27Å; S513-M517 PolarHBondContact O-N 3.08Å; K514-M517 PolarHBondContact O-N 3.28Å; E515-M517 PolarHBondContact O-N 3.48Å; M517-F519 VanDerWaalsContact C-N 3.28Å; M517-F519 PolarHBondContact O-N 3.44Å; M517-K520 PolarHBondContact O-N 2.88Å
518H51.6Low43.9Very low156 Ų156129.4 Ų129.472%0.72267%0.67SS**Hα-helixtrans-75.3-14.1178.2-76.2-75000113.7K514 E515 L516 K520K514-H518 PolarHBondContact O-CD2 3.01Å; K514-H518 VanDerWaalsContact O-CD2 3.28Å; E515-H518 PolarHBondContact O-N 2.97Å; L516-H518 VanDerWaalsContact C-N 3.31Å; L516-H518 PolarHBondContact O-N 3.04Å; H518-K520 VanDerWaalsContact C-N 3.31Å
519F45.3Very low43.2Very low153 Ų153126.9 Ų126.967%0.67167%0.665SS**THydrogen-bonded Turntrans-84.71.6173-75.7-77.4000114E515 L516 M517 Y521E515-F519 WeakPolarHBondContact O-CD2 3.33Å; L516-F519 PolarHBondContact O-N 3.24Å; M517-F519 VanDerWaalsContact C-N 3.28Å; M517-F519 PolarHBondContact O-N 3.44Å; F519-Y521 PolarHBondContact O-N 3.14Å
520K42Very low42.1Very low143 Ų143127.3 Ų127.362%0.62267%0.673SS**SBendtrans-78.7108.2175-97.3-177.6175.5176.70111.9M517 H518M517-K520 PolarHBondContact O-N 2.88Å; H518-K520 VanDerWaalsContact C-N 3.31Å
521Y39.4Very low41.3Very low191 Ų191128.2 Ų128.275%0.74967%0.67SS**  trans68.3106165.1-52.9-73000116.4F519 S523F519-Y521 PolarHBondContact O-N 3.14Å; Y521-S523 PolarHBondContact O-N 3.01Å
522P37.2Very low40Very low115 Ų115132.9 Ų132.975%0.74769%0.687SS**  trans-56.4129147.626.9-33.5000108.1V524P522-V524 PolarHBondContact O-N 3.35Å
523S34.7Very low38.8Very low108 Ų108135.2 Ų135.276%0.75570%0.7SS**  trans-61.4107.7176.9-71.10000109Y521 I525Y521-S523 PolarHBondContact O-N 3.01Å; S523-I525 PolarHBondContact O-N 3.36Å
524V32.9Very low37.1Very low125 Ų125136.7 Ų136.776%0.75870%0.7SS**  trans-71.686.8173.1-176.10000107.2P522 K526P522-V524 PolarHBondContact O-N 3.35Å; V524-K526 VanDerWaalsContact C-N 3.31Å; V524-K526 PolarHBondContact O-N 3.02Å
525I30.4Very low35.6Very low150 Ų150134.5 Ų134.577%0.76970%0.704SS**  trans-63.297.9171.6-60176.4000106.4S523 A527S523-I525 PolarHBondContact O-N 3.36Å; I525-A527 VanDerWaalsContact C-N 3.26Å; I525-A527 PolarHBondContact O-N 2.81Å
526K28.7Very low34Very low173 Ų173137.9 Ų137.975%0.75272%0.72SS**  trans-67.591.3168.7-71.7-177.2177.9-179.20107.5V524 N528V524-K526 VanDerWaalsContact C-N 3.31Å; V524-K526 PolarHBondContact O-N 3.02Å; K526-N528 VanDerWaalsContact C-N 3.33Å; K526-N528 PolarHBondContact O-N 3Å
527A26.5Very low32.4Very low73 Ų73142 Ų14260%0.60373%0.734SS**  trans-61.898.9166.400000107.9I525 N529I525-A527 VanDerWaalsContact C-N 3.26Å; I525-A527 PolarHBondContact O-N 2.81Å; A527-N529 PolarHBondContact O-N 3.22Å
528N24.4Very low31Very low141 Ų141140.2 Ų140.275%0.75473%0.734SS**  trans-6979.5170.8-79.6-16.6000108.4K526 S530K526-N528 VanDerWaalsContact C-N 3.33Å; K526-N528 PolarHBondContact O-N 3Å; N528-S530 PolarHBondContact O-N 3.3Å
529N26.4Very low29.6Very low132 Ų132140.9 Ų140.971%0.70674%0.742SS**  trans-71.577.8167.4-75.7-11.2000108.4A527 N531A527-N529 PolarHBondContact O-N 3.22Å; N529-N531 PolarHBondContact O-N 2.92Å
530S26.7Very low28.8Very low108 Ų108142.9 Ų142.976%0.75575%0.747SS**  trans-7255.517049.70000110.9N528 R532N528-S530 PolarHBondContact O-N 3.3Å; S530-R532 VanDerWaalsContact C-N 3.34Å; S530-R532 PolarHBondContact O-N 2.82Å
531N27.7Very low27.8Very low135 Ų135139.9 Ų139.972%0.72276%0.756SS**  trans-71.495.8171.9-82-4.5000108.7N529 V533N529-N531 PolarHBondContact O-N 2.92Å; N531-V533 PolarHBondContact O-N 2.87Å
532R23.9Very low27.4Very low229 Ų229136.5 Ų136.586%0.86475%0.751SS**  trans-59.475.2175.2-175-174.5-175.5176.22.3111.2S530 N534S530-R532 VanDerWaalsContact C-N 3.34Å; S530-R532 PolarHBondContact O-N 2.82Å; R532-N534 PolarHBondContact O-N 2.85Å
533V28.4Very low26.9Very low125 Ų125141.3 Ų141.376%0.75875%0.754SS**  trans-78.1103.7169.5-178.70000108N531 S535N531-V533 PolarHBondContact O-N 2.87Å; V533-S535 PolarHBondContact O-N 3.06Å
534N24Very low26.3Very low131 Ų131143.9 Ų143.970%0.70176%0.758SS**  trans-61.998.3166.4-84.1-14.5000109.2R532R532-N534 PolarHBondContact O-N 2.85Å
535S27Very low26Very low108 Ų108144.7 Ų144.776%0.75576%0.757SS**  trans-10187.6155.863.20000108.6V533V533-S535 PolarHBondContact O-N 3.06Å
536Q24.2Very low25.7Very low161 Ų161142.9 Ų142.975%0.75276%0.758SS**  trans-54.1135.9153.3-67.4159.2-57.400107.5
537F24.5Very low25.5Very low190 Ų190139.2 Ų139.283%0.83375%0.753SS**  171.7144.3126.6-99.1-71.5000111.8
538C25.4Very low25.3Very low97 Ų97141.2 Ų141.266%0.65576%0.763SS**  trans66.287.9161.6-580000118.4Y540C538-Y540 HydrophobicContact CB-CD2 4.45Å; C538-Y540 PolarHBondContact O-N 3.22Å
539N22.6Very low25.3Very low170 Ų170145.1 Ų145.191%0.90977%0.767SS**  trans-56116.4142.1-77.1-36.5000109.3
540Y27.3Very low25.2Very low196 Ų196147.8 Ų147.877%0.76978%0.776SS**  trans-121.293.8154.3-102-88.7000108.2C538 D542C538-Y540 HydrophobicContact CB-CD2 4.45Å; C538-Y540 PolarHBondContact O-N 3.22Å; Y540-D542 PolarHBondContact O-N 3.03Å
541G22.4Very low25.2Very low79 Ų79149.5 Ų149.581%0.81478%0.776SS**  trans-86.985.3171.800000110
542D30Very low25Very low120 Ų120148.2 Ų148.264%0.64278%0.778SS**  trans-112.2102.1173.9-93.2-49000112.8Y540Y540-D542 PolarHBondContact O-N 3.03Å
543R25.9Very low24.9Very low216 Ų216147.6 Ų147.682%0.81578%0.777SS**  trans34112.7147-58.9-176.7-172.5-141.9-2.1118.8I545R543-I545 PolarHBondContact O-N 3.35Å; R543-I545 VanDerWaalsContact O-N 3.17Å
544I22.7Very low24.7Very low162 Ų162148.5 Ų148.583%0.83178%0.783SS**  trans-49.9114.8150.5-58.1164.3000109.6
545I27.8Very low24.7Very low142 Ų142151.4 Ų151.473%0.72879%0.789SS**  trans-125.4103.6157.3-62.1-177.5000108R543 S547R543-I545 PolarHBondContact O-N 3.35Å; R543-I545 VanDerWaalsContact O-N 3.17Å; I545-S547 PolarHBondContact O-N 3.27Å
546S22.6Very low24.6Very low113 Ų113155.6 Ų155.679%0.7980%0.797SS**  trans-73.499170.1-54.30000109.6
547S24.6Very low24.5Very low95 Ų95152.5 Ų152.566%0.66479%0.793SS**  trans-107.596.8168.970.10000111I545 R549I545-S547 PolarHBondContact O-N 3.27Å; S547-R549 PolarHBondContact O-N 3.21Å
548S22.5Very low24.5Very low115 Ų115152.5 Ų152.580%0.80479%0.793SS**  trans-67.4109.4167.655.60000109.9
549R25.3Very low24.4Very low224 Ų224154.7 Ų154.785%0.84580%0.797SS**  trans-118.995.3160.8-77.4-167.3174.6-164.7-0.9109.8S547 N551S547-R549 PolarHBondContact O-N 3.21Å; R549-N551 PolarHBondContact O-N 2.82Å
550Q24.2Very low24.5Very low188 Ų188156.5 Ų156.588%0.87980%0.796SS**  trans-61.3118.9159.5-66.3171.4-21.500107.6
551N26.2Very low24.5Very low143 Ų143152.3 Ų152.377%0.76580%0.796SS**  trans-120.1100.1169.8-100.3-5.4000109.5R549R549-N551 PolarHBondContact O-N 2.82Å
552S24.5Very low24.6Very low108 Ų108154.8 Ų154.876%0.75579%0.786SS**  trans42.2113132.8-50.50000119.4
553Y20.1Very low24.5Very low217 Ų217160.6 Ų160.685%0.85180%0.801SS**  trans-60.1137.9168.1-60.8-95.7000113.5
554T25.4Very low24.4Very low143 Ų143157.2 Ų157.288%0.87779%0.789SS**  trans-115.797.815043.20000109.4
555K24.3Very low24.5Very low192 Ų192161 Ų16184%0.83580%0.795SS**  trans-77.3118.9168.4-74.1176.5176.6174.10108.6
556Q23.8Very low24.2Very low196 Ų196161.9 Ų161.992%0.91679%0.79SS**  trans-101.1112.5163.3-125.5167.93.900108.6
557S22.8Very low24.4Very low96 Ų96163.5 Ų163.567%0.67180%0.795SS**  trans-69.4143.5173.449.20000111.2
558F24.6Very low24.3Very low190 Ų190164.9 Ų164.983%0.83380%0.795SS**  trans-164.2122.9135.2-98-65000111.6
559I22.8Very low24.7Very low144 Ų144169.7 Ų169.774%0.73880%0.802SS**  trans42.1102.6154-56.6156.1000117.8
560K25.7Very low24.5Very low207 Ų207169.6 Ų169.690%0.980%0.801SS**PPolyproline II helixtrans-95.6122.6142.2-79.3-175.2173.8-176.10107.7
561S26.9Very low24.7Very low109 Ų109169.1 Ų169.176%0.76280%0.804SS**PPolyproline II helixtrans-73.9139.8169.950.70000110.7
562E24.7Very low24.6Very low130 Ų130166.6 Ų166.661%0.60779%0.794SS**PPolyproline II helixtrans-83.4141.4-170.4-53.6174.413500112.1Y564E562-Y564 HydrophobicContact CB-CD2 4.1Å; E562-Y564 HydrophobicContact CB-CE2 3.96Å; E562-Y564 HydrophobicContact CG-CE2 3.98Å; E562-Y564 WeakPolarHBondContact OE1-CE2 3.26Å
563Y27.7Very low24.6Very low242 Ų242171 Ų17195%0.94980%0.799SS**  trans-142.1106.5143.3-91.3-72.1000108.4
564Y23Very low24.9Very low146 Ų146165.5 Ų165.557%0.57379%0.793SS**  trans-86.5135.7176.7-70.5-89.6000110.5E562 Y566E562-Y564 HydrophobicContact CB-CD2 4.1Å; E562-Y564 HydrophobicContact CB-CE2 3.96Å; E562-Y564 HydrophobicContact CG-CE2 3.98Å; E562-Y564 WeakPolarHBondContact OE1-CE2 3.26Å; Y564-Y566 AromaticContact CD1-CD2 3.88Å; Y564-Y566 HydrophobicContact CD1-CD2 3.88Å; Y564-Y566 AromaticContact CD1-CE2 3.67Å; Y564-Y566 HydrophobicContact CD1-CE2 3.67Å; Y564-Y566 HydrophobicContact CE1-CD2 4.49Å; Y564-Y566 AromaticContact CE1-CE2 3.83Å; Y564-Y566 HydrophobicContact CE1-CE2 3.83Å
565Y25.5Very low24.7Very low242 Ų242163.4 Ų163.495%0.94979%0.789SS**  trans-138.6116.1135.4-96.8-75.8000109.3
566Y22.1Very low24.8Very low159 Ų159162.7 Ų162.762%0.62479%0.789SS**  trans-88.7134.2176-95.5-83.7000110.4Y564 N568Y564-Y566 AromaticContact CD1-CD2 3.88Å; Y564-Y566 HydrophobicContact CD1-CD2 3.88Å; Y564-Y566 AromaticContact CD1-CE2 3.67Å; Y564-Y566 HydrophobicContact CD1-CE2 3.67Å; Y564-Y566 HydrophobicContact CE1-CD2 4.49Å; Y564-Y566 AromaticContact CE1-CE2 3.83Å; Y564-Y566 HydrophobicContact CE1-CE2 3.83Å; Y566-N568 WeakPolarHBondContact CD1-ND2 3.35Å
567T26.4Very low24.8Very low147 Ų147161.3 Ų161.390%0.90278%0.782SS**  trans-134.192.7147.137.60000109.7K569T567-K569 PolarHBondContact O-N 3.17Å
568N21.8Very low24.9Very low125 Ų125163.4 Ų163.467%0.66879%0.786SS**  trans-71123.8174.4-68.3-61.9000110.7Y566Y566-N568 WeakPolarHBondContact CD1-ND2 3.35Å
569K30.8Very low24.9Very low215 Ų215159.8 Ų159.894%0.93578%0.78SS**  trans-130.8108.4143.2-77-162.5177.1179.90110.9T567T567-K569 PolarHBondContact O-N 3.17Å
570R22Very low24.8Very low223 Ų223158.2 Ų158.284%0.84278%0.777SS**  trans-81.3124.9-176.6-179.2-170.5-161.1178.35.6109.1V572R570-V572 HydrophobicContact CG-CG2 3.74Å
571L28.1Very low24.6Very low178 Ų178155.1 Ų155.193%0.93277%0.77SS**  trans-134.8130.4159.5-118.7152.7000108.2
572V23.7Very low24.5Very low90 Ų90158.5 Ų158.555%0.54577%0.774SS.*  trans-145.2137.9-153.8158.90000108.2R570R570-V572 HydrophobicContact CG-CG2 3.74Å
573K24.8Very low24.4Very low199 Ų199159.9 Ų159.987%0.86578%0.784SS**  trans69.7150.7-177.2-60.2157.3-174.6-173.70111.9
574S25.7Very low24.3Very low103 Ų103155.5 Ų155.572%0.7278%0.776SS**  cis-134.714825.3-169.50000113.4
575A21.9Very low24.3Very low98 Ų98155.9 Ų155.981%0.8179%0.788SS**  trans-88.9117.4162.200000108
576H25.6Very low24.5Very low178 Ų178150 Ų15082%0.82478%0.778SS**  trans-128.6121166.6-131.239.7000110.6
577Q23.5Very low24.7Very low166 Ų166149.5 Ų149.578%0.77679%0.786SS**  trans-69.8138.6167.2-61.9159.3-33.900107.3
578N25.7Very low24.8Very low141 Ų141149.4 Ų149.475%0.75478%0.78SS**  168.3131.4123.4-86.1-22.1000113.1
579T23.9Very low25.2Very low114 Ų114152.5 Ų152.570%0.69979%0.787SS**  61.696.1127.6-46.80000119
580T21.7Very low25.1Very low110 Ų110149.4 Ų149.468%0.67578%0.78SS**  59.4122.2116.8-49.60000119.8
581N21.1Very low25.4Very low142 Ų142148 Ų14876%0.75978%0.783SS**  trans59.9101.4157.2-61.3-9.2000117.6
582H25Very low25.3Very low181 Ų181149.3 Ų149.384%0.83878%0.777SS**  -151.2131.5116.4-116.9-77.2000111.8
583I23.3Very low25.5Very low159 Ų159153.1 Ų153.182%0.81579%0.789SS**  trans-74.7124.3165-64.8164.1000106.6
584N25.4Very low25.7Very low149 Ų149150 Ų15080%0.79778%0.781SS**  trans-158.1137.4154.6-98.1-27.9000110.5
585N21.4Very low25.7Very low154 Ų154156.2 Ų156.282%0.82479%0.789SS**  trans-72.6123.9177.5-83-45.1000111.3
586T30Very low26Very low119 Ų119160 Ų16073%0.7379%0.79SS**  trans-139.1132.5148.541.40000110.6D588T586-D588 PolarHBondContact O-N 3.38Å
587N26.4Very low26.1Very low149 Ų149156.5 Ų156.580%0.79779%0.786SS**  trans-82.471.1-171.4-73.2-59.9000112.7K589N587-K589 VanDerWaalsContact C-N 3.28Å; N587-K589 PolarHBondContact O-N 3.39Å
588D28.1Very low26.2Very low144 Ų144156.3 Ų156.377%0.7779%0.789SS**  trans-78.180.7172.7-73.9-16.8000110.9T586 L590T586-D588 PolarHBondContact O-N 3.38Å; D588-L590 PolarHBondContact O-N 2.93Å
589K30.6Very low26.3Very low190 Ų190154.3 Ų154.383%0.82679%0.786SS**  trans-61.6101.7168.4-81.8179.8175.1174.20109.5N587 H591N587-K589 VanDerWaalsContact C-N 3.28Å; N587-K589 PolarHBondContact O-N 3.39Å; K589-H591 PolarHBondContact O-N 3.21Å; K589-H591 VanDerWaalsContact O-N 3.09Å
590L28.4Very low26.5Very low150 Ų150156 Ų15679%0.78579%0.79SS**  trans-54114.7170.7-76.4164.3000110.6D588 Y592D588-L590 PolarHBondContact O-N 2.93Å; L590-Y592 PolarHBondContact O-N 2.75Å
591H28.6Very low26.7Very low194 Ų194159.7 Ų159.790%0.89879%0.793SS**  trans-61.994.3171.5-96.3-81.2000110.3K589 Q593K589-H591 PolarHBondContact O-N 3.21Å; K589-H591 VanDerWaalsContact O-N 3.09Å; H591-Q593 PolarHBondContact O-N 3.48Å
592Y27.5Very low27Very low205 Ų205160 Ų16080%0.80479%0.794SS**  trans-72.3122.4157.8-86.4-89.4000108.5L590 N594L590-Y592 PolarHBondContact O-N 2.75Å; Y592-N594 PolarHBondContact O-N 3.2Å
593Q28Very low27.4Very low170 Ų170156.8 Ų156.879%0.79478%0.783SS**  trans-52.3111.3172.1-82.9-77.7-10.900109.3H591 W595H591-Q593 PolarHBondContact O-N 3.48Å; Q593-W595 PolarHBondContact O-N 3.16Å; Q593-W595 VanDerWaalsContact O-N 3.15Å
594N28.5Very low27.6Very low133 Ų133155.2 Ų155.271%0.71179%0.785SS**  trans-67110.9177.6-177.28.7000108.1Y592 Q596Y592-N594 PolarHBondContact O-N 3.2Å; N594-Q596 VanDerWaalsContact C-N 3.27Å; N594-Q596 PolarHBondContact O-N 3.45Å
595W25.1Very low27.9Very low234 Ų234154.8 Ų154.889%0.88678%0.783SS**  trans-66.892.7170-82.667.7000108.1Q593 S597Q593-W595 PolarHBondContact O-N 3.16Å; Q593-W595 VanDerWaalsContact O-N 3.15Å; W595-S597 PolarHBondContact O-N 3Å
596Q28.7Very low28.1Very low178 Ų178152.6 Ų152.683%0.83278%0.779SS**  trans-53.8104.3173.6-73.7-179.8-21.600108.5N594 L598N594-Q596 VanDerWaalsContact C-N 3.27Å; N594-Q596 PolarHBondContact O-N 3.45Å; Q596-L598 PolarHBondContact O-N 2.88Å
597S27Very low28Very low105 Ų105154.5 Ų154.573%0.73478%0.783SS**  trans-67.3123.5170.7-64.20000106.7W595 S599W595-S597 PolarHBondContact O-N 3Å; S597-S599 PolarHBondContact O-N 3.29Å
598L25Very low28.1Very low161 Ų161154.7 Ų154.784%0.84378%0.784SS**  trans-71.371.6-174-167.280.7000111Q596 L600Q596-L598 PolarHBondContact O-N 2.88Å; L598-L600 PolarHBondContact O-N 3Å
599S28.7Very low28Very low99 Ų99153.9 Ų153.969%0.69279%0.785SS**  trans-78.197.5170.750.90000108.8S597 Y601S597-S599 PolarHBondContact O-N 3.29Å; S599-Y601 VanDerWaalsContact C-N 3.29Å; S599-Y601 PolarHBondContact O-N 3.3Å
600L27.8Very low27.8Very low150 Ų150156 Ų15679%0.78579%0.788SS**  trans-62.489.8167.7-76.4157.9000109.2L598L598-L600 PolarHBondContact O-N 3Å
601Y26.8Very low27.7Very low187 Ų187155.7 Ų155.773%0.73379%0.792SS**  trans-88.5112.2171.5-140.8-96000107.8S599 D603S599-Y601 VanDerWaalsContact C-N 3.29Å; S599-Y601 PolarHBondContact O-N 3.3Å; Y601-D603 WeakPolarHBondContact CD1-OD1 3.46Å; Y601-D603 WeakPolarHBondContact CD1-OD2 3.39Å; Y601-D603 VanDerWaalsContact CE1-OD1 3.27Å; Y601-D603 WeakPolarHBondContact CE1-OD1 3.41Å; Y601-D603 PolarHBondContact O-N 3.04Å
602L27.5Very low27.6Very low150 Ų150151.6 Ų151.679%0.78579%0.785SS**  trans-91.473.3-179-73164.7000109C604L602-C604 PolarHBondContact O-N 3.1Å; L602-C604 VanDerWaalsContact O-N 3.17Å
603D32.2Very low27.5Very low112 Ų112149.9 Ų149.960%0.59979%0.788SS**  trans-76.4101169.5-75.7-31.1000109.1Y601 D605Y601-D603 WeakPolarHBondContact CD1-OD1 3.46Å; Y601-D603 WeakPolarHBondContact CD1-OD2 3.39Å; Y601-D603 VanDerWaalsContact CE1-OD1 3.27Å; Y601-D603 WeakPolarHBondContact CE1-OD1 3.41Å; Y601-D603 PolarHBondContact O-N 3.04Å; D603-D605 PolarHBondContact O-N 3.01Å
604C27Very low27.5Very low126 Ų126145.1 Ų145.185%0.85179%0.785SS**  trans-76.964.9171.4-67.40000110.3L602 S606L602-C604 PolarHBondContact O-N 3.1Å; L602-C604 VanDerWaalsContact O-N 3.17Å; C604-S606 PolarHBondContact O-N 3.12Å
605D31.8Very low27.4Very low141 Ų141143.5 Ų143.575%0.75478%0.784SS**  trans-66.3120.9175-85-20.6000110.5D603 I607D603-D605 PolarHBondContact O-N 3.01Å; D605-I607 PolarHBondContact O-N 3.42Å
606S26.5Very low27.6Very low108 Ų108140.2 Ų140.276%0.75578%0.784SS**  trans-68.6112.717945.40000110.2C604 N608C604-S606 PolarHBondContact O-N 3.12Å; S606-N608 VanDerWaalsContact C-N 3.32Å; S606-N608 PolarHBondContact O-N 3.34Å
607I28.7Very low27.5Very low158 Ų158140.8 Ų140.881%0.8179%0.786SS**  trans-68.791.5178.7-59.2174.4000108.9D605 T609D605-I607 PolarHBondContact O-N 3.42Å; I607-T609 PolarHBondContact O-N 3.43Å
608N26.8Very low27.5Very low154 Ų154140.7 Ų140.782%0.82479%0.786SS**  trans-74.7104.6176.4-134.6-16.2000108.7S606 R610S606-N608 VanDerWaalsContact C-N 3.32Å; S606-N608 PolarHBondContact O-N 3.34Å; N608-R610 PolarHBondContact O-N 3.02Å
609T27.5Very low27.6Very low126 Ų126140.6 Ų140.677%0.77379%0.785SS**  trans-68.898.4-175.246.30000111.7I607I607-T609 PolarHBondContact O-N 3.43Å
610R24.8Very low27.3Very low235 Ų235143 Ų14389%0.88779%0.788SS**  trans-142.754.1168.6-149.7179.3-166.6-156.13.8113.6N608 S612N608-R610 PolarHBondContact O-N 3.02Å; R610-S612 PolarHBondContact O-N 3.43Å
611T27.5Very low27.3Very low143 Ų143141.6 Ų141.688%0.87779%0.788SS**  trans-7094.9164.7380000110.1
612S26.9Very low27.2Very low109 Ų109138.5 Ų138.576%0.76279%0.789SS**  trans-67.8134.1169.752.30000110.9R610 G614R610-S612 PolarHBondContact O-N 3.43Å; S612-G614 PolarHBondContact O-N 3.29Å; S612-G614 VanDerWaalsContact O-N 3.14Å
613I25Very low27.1Very low168 Ų168139 Ų13986%0.86279%0.787SS**  trans-69.5105.5178.3-61.9165.2000109.1
614G27Very low26.8Very low71 Ų71141.2 Ų141.273%0.73279%0.794SS**  trans-98.7113.1169.400000109.9S612 D616S612-G614 PolarHBondContact O-N 3.29Å; S612-G614 VanDerWaalsContact O-N 3.14Å; G614-D616 PolarHBondContact O-N 3.19Å
615S26.1Very low26.7Very low98 Ų98141.7 Ų141.769%0.68580%0.795SS**  trans-9982.2-17156.20000112.5Q617S615-Q617 PolarHBondContact O-N 3.07Å
616D31Very low26.4Very low166 Ų166138.9 Ų138.989%0.88880%0.8SS**  trans-90.8103.1172.8-76.1-28.9000111.6G614G614-D616 PolarHBondContact O-N 3.19Å
617Q26.1Very low26.4Very low189 Ų189137.1 Ų137.188%0.88380%0.798SS**  trans-77119.9170-61.4173.24.200109.7S615S615-Q617 PolarHBondContact O-N 3.07Å
618S27.5Very low26.3Very low104 Ų104139.9 Ų139.973%0.72781%0.805SS**  trans-149.6107.5153.251.20000114.1
619I27.3Very low26.5Very low158 Ų158139.3 Ų139.381%0.8181%0.807SS**  trans54.5102.6136.1-52.3173.6000117.2
620I22Very low26.3Very low150 Ų150140.6 Ų140.677%0.76981%0.808SS**  trans-77.1132159.7-63.8159.8000109.5
621P28Very low26.3Very low121 Ų121137.1 Ų137.179%0.78681%0.806SS**  trans-100.5128.1148.112.85.7000110.1
622T23.6Very low26.3Very low121 Ų121136.2 Ų136.274%0.74281%0.806SS**  trans-82.8-177.6177.3-46.70000110.8
623E26.2Very low26.2Very low161 Ų161135.4 Ų135.475%0.75280%0.8SS**  trans87.5138.2172.5-53-172.3-158.100116.3
624Q26.4Very low26.3Very low159 Ų159136.3 Ų136.374%0.74380%0.798SS**  cis-154.9140.2-7.5-119.4-178.255.300109.4
625P24.6Very low26.5Very low135 Ų135140.8 Ų140.888%0.87781%0.805SS**  trans-95.4107.1176.434-29.8000112.4
626G24Very low26.5Very low83 Ų83145.5 Ų145.586%0.85681%0.813SS**  trans-147115.9176.400000112.7
627G28.2Very low26.3Very low70 Ų70146.3 Ų146.372%0.72281%0.811SS**  trans163.934.9-178.100000117.6V629G627-V629 PolarHBondContact O-N 3.4Å
628K26.2Very low26.2Very low217 Ų217147.8 Ų147.894%0.94381%0.809SS**  trans-73.289.7169.1-75.5-178.8178.6174.70109.9
629V29.7Very low26.2Very low142 Ų142150.5 Ų150.586%0.86181%0.813SS**PPolyproline II helixtrans-85.2132.1169.2179.80000109.9G627G627-V629 PolarHBondContact O-N 3.4Å
630L25.1Very low26.1Very low152 Ų152149.9 Ų149.980%0.79681%0.806SS**PPolyproline II helixtrans-76.1161-167.2-155.472.2000113.1S632L630-S632 PolarHBondContact O-N 2.88Å
631L23.7Very low26.2Very low162 Ų162152.7 Ų152.785%0.84881%0.813SS**PPolyproline II helixtrans-55.2129177.8-66.573.5000112.1
632S28Very low26.2Very low125 Ų125153 Ų15387%0.87481%0.813SS**  trans-106.9137.2153.1-172.80000109.4L630L630-S632 PolarHBondContact O-N 2.88Å
633S23.9Very low26.2Very low92 Ų92153.7 Ų153.764%0.64382%0.817SS**  trans-123.2165.5-172.7580000110.8
634K27.8Very low26.3Very low187 Ų187152 Ų15281%0.81382%0.818SS**  trans81.7102179.8-49.3164.5-176.6173.40114.9
635N30.9Very low26.4Very low165 Ų165151.7 Ų151.788%0.88282%0.821SS**  -149.6103.9114.2-101.3-28.8000110.7
636K26.1Very low26.4Very low197 Ų197149.2 Ų149.286%0.85782%0.82SS**  trans-90.4103.6172.4-74.4177.7176.5175.30108.5
637H27.8Very low26.7Very low183 Ų183152.8 Ų152.885%0.84782%0.818SS**  trans-118.7104158.4-89.911.9000109.9
638R23.3Very low26.8Very low220 Ų220157.2 Ų157.283%0.8383%0.825SS**  trans-103.6104.2179.8175-170.4-171.5175.64.6106.6
639I27.3Very low27Very low160 Ų160152 Ų15282%0.82182%0.816SS**  trans-121.3143.9169.9-62.8179.8000108.2
640H26.4Very low26.8Very low145 Ų145151.9 Ų151.967%0.67181%0.811SS**  trans-76.5141.7-155-81.2-117.9000114.5T642H640-T642 PolarHBondContact O-N 3.41Å
641K23.6Very low27.2Very low210 Ų210150.4 Ų150.491%0.91381%0.808SS**  trans-58.2121.8150.5-76.7-178.4174.3-179.40108.4
642T27.1Very low27.6Very low127 Ų127149 Ų14978%0.77980%0.801SS**  trans-120.6118.7162.714.70000108.8H640H640-T642 PolarHBondContact O-N 3.41Å
643T24.4Very low27.7Very low136 Ų136148.8 Ų148.883%0.83480%0.8SS**  trans-88.1117.8171.843.80000109.1
644T28.2Very low27.9Very low125 Ų125155.5 Ų155.577%0.76781%0.811SS**  trans-149.4108.4164.212.20000110.7
645N28.2Very low27.9Very low152 Ų152156 Ų15681%0.81381%0.813SS**  trans12.9125.3154.2-54.1-11.2000118.6
646G24.2Very low27.9Very low83 Ų83156.1 Ų156.186%0.85681%0.813SS**  trans-64.7142159.800000111.4
647I31.8Very low28Very low159 Ų159154 Ų15482%0.81581%0.811SS**  trans-131.3136.6167.3-67.3177.7000106.2S649I647-S649 PolarHBondContact O-N 2.96Å
648D29.1Very low27.8Very low162 Ų162151.4 Ų151.487%0.86681%0.812SS**  trans-63.3123.1-170.9-58-73.7000113.2N650D648-N650 PolarHBondContact O-N 3.06Å
649S29.9Very low27.9Very low108 Ų108146.6 Ų146.676%0.75581%0.812SS**  trans-82.696171.459.70000110.5I647 V651I647-S649 PolarHBondContact O-N 2.96Å; S649-V651 PolarHBondContact O-N 3.13Å
650N26.8Very low27.8Very low140 Ų140144.9 Ų144.975%0.74981%0.814SS**  trans-60.5127.3166.4-176.620.6000110.2D648D648-N650 PolarHBondContact O-N 3.06Å
651V32.7Very low27.7Very low121 Ų121147.5 Ų147.573%0.73383%0.827SS**  trans-112.2103.6-1801790000110S649 S653S649-V651 PolarHBondContact O-N 3.13Å; V651-S653 PolarHBondContact O-N 3.48Å
652D31.3Very low27.7Very low133 Ų133143.1 Ų143.171%0.71182%0.822SS**  trans-59123.6178.2-82.5-53.4000113
653S30.6Very low27.8Very low120 Ų120143 Ų14384%0.83983%0.827SS**  trans-89.2111.7167.737.20000109.9V651 K655V651-S653 PolarHBondContact O-N 3.48Å; S653-K655 PolarHBondContact O-N 3.32Å
654R29.3Very low27.9Very low233 Ų233141.6 Ų141.688%0.87982%0.822SS**PPolyproline II helixtrans-65.9123.5-170.3-73.1172.4-114178.7-3.4112.7
655K26.8Very low27.9Very low198 Ų198145.5 Ų145.586%0.86183%0.829SS**PPolyproline II helixtrans-57.4132.1161.2-89.9174171.2171.60110.2S653S653-K655 PolarHBondContact O-N 3.32Å
656L30.6Very low27.8Very low167 Ų167143.8 Ų143.887%0.87483%0.829SS**PPolyproline II helixtrans-102.3126.2163.9-74.2172.8000109.5
657N27.9Very low27.9Very low153 Ų153145.6 Ų145.682%0.81883%0.825SS**PPolyproline II helixtrans-77.9131.5179.7-70.1-29.3000110.7
658C24.3Very low27.5Very low128 Ų128142.6 Ų142.687%0.86582%0.819SS**  trans-110.7108.2158.9-71.50000107.8
659S25.4Very low27.3Very low118 Ų118145 Ų14583%0.82582%0.822SS**  trans-72131.1-176.750.60000111.9
660S24.9Very low27.2Very low125 Ų125146.6 Ų146.687%0.87482%0.821SS**  trans-68.6139.7173.1-44.20000111.3
661Q25.3Very low27Very low199 Ų199145.5 Ų145.593%0.9382%0.819SS**  trans-127.4109.8162.7-154.5168.717.600109.3
662S23.5Very low26.8Very low118 Ų118149.9 Ų149.983%0.82583%0.828SS**  trans-81.6136.3-179.351.10000111.3
663S28.2Very low26.5Very low124 Ų124153 Ų15387%0.86784%0.836SS**  trans-141.6134.315168.40000110.8
664S26.2Very low26.5Very low107 Ų107157.6 Ų157.675%0.74884%0.84SS**  trans-95.1142.1-177.453.80000111.4
665K29.6Very low26.2Very low207 Ų207151.9 Ų151.990%0.984%0.836SS**  trans-172118.3137.5-107.2156.2-179.6176.60111.7
666S24.9Very low26.4Very low117 Ų117150.7 Ų150.782%0.81884%0.838SS**  trans-96.6141.8164.243.30000109.8
667P28Very low26.2Very low120 Ų120151.1 Ų151.178%0.77984%0.836SS**  trans-120.3119.2157.230.5-17000110.7
668S21.8Very low25.9Very low97 Ų97153.4 Ų153.468%0.67884%0.838SS**  trans-77.4143.1169.555.30000111.2
669F26.6Very low26Very low213 Ų213152.3 Ų152.393%0.93483%0.832SS**  trans-129.8148.6155.6-101.8-80.4000112.4
670I26.7Very low25.9Very low141 Ų141152.5 Ų152.572%0.72383%0.828SS**  trans-110.2149.8-151.3-73.4170.8000112.1
671T22.6Very low26Very low117 Ų117153.9 Ų153.972%0.71883%0.826SS**  trans-29.1142.2172.956.90000117.7
672K28.7Very low25.9Very low213 Ų213149.5 Ų149.593%0.92682%0.818SS**  trans-133.4138.1138.8-85.6-168.1177.2176.10112.1
673K24.1Very low26.3Very low199 Ų199150.2 Ų150.287%0.86582%0.819SS**  trans-80.7144-175.6-58.6167179.2174.80110.7
674K30.5Very low26.2Very low216 Ų216147.7 Ų147.794%0.93981%0.813SS**  trans-133.8116.5149.9-82.4-169.5175.6-176.50108.9
675S24.1Very low26.2Very low113 Ų113151 Ų15179%0.7982%0.821SS**  trans-91.7141.217351.40000110.2
676L29.8Very low26Very low173 Ų173149.3 Ų149.391%0.90682%0.819SS**  trans-133.9148161.7-144.275.1000110.3
677Q27.9Very low26Very low176 Ų176154.7 Ų154.782%0.82282%0.821SS**  trans-70.9134.4-170.4-71.8143.5-39.200111.9
678K21.7Very low26.1Very low200 Ų200157.8 Ų157.887%0.8782%0.823SS**  51.7104.391.6-76.7-168176.9-174.90116.6
679S24.8Very low26.3Very low106 Ų106157.9 Ų157.974%0.74182%0.82SS**  trans173.5114.1132.652.30000109.2
680T24.8Very low26.3Very low121 Ų121157.7 Ų157.774%0.74282%0.818SS**  54.4119.183.660.20000113.7
681N26.2Very low26.4Very low154 Ų154161.3 Ų161.382%0.82482%0.823SS**  cis-140.2-166.54-69.4-42.9000109.1
682S23.9Very low26.8Very low108 Ų108160.6 Ų160.676%0.75582%0.823SS**  cis-151.9-177.88.567.30000110.5
683P31.5Very low26.8Very low132 Ų132156.4 Ų156.486%0.85782%0.82SS**  trans-99.8145.9-16637.2-33.6000116.4
684G25.9Very low26.9Very low72 Ų72153.6 Ų153.674%0.74281%0.813SS**  trans-149.1124.7169.700000112.8
685L26.5Very low26.8Very low175 Ų175152 Ų15292%0.91681%0.809SS**  trans51.6107.9172.2-9567.8000119.4R687L685-R687 PolarHBondContact O-N 2.98Å
686M24.5Very low26.9Very low172 Ų172151.6 Ų151.685%0.84781%0.806SS**  trans-60.6122.5160.3-71.1177168.600111.5F688M686-F688 HydrophobicContact SD-CE2 4.41Å
687R25.9Very low26.6Very low230 Ų230151.5 Ų151.587%0.86881%0.806SS**  trans-114.796.4164.9-158.7177.7-162.3174.36.2109.8L685 T689L685-R687 PolarHBondContact O-N 2.98Å; R687-T689 PolarHBondContact O-N 3.41Å; R687-T689 PolarHBondContact O-OG1 3.37Å
688F28.9Very low26.4Very low186 Ų186150 Ų15082%0.81681%0.809SS**  trans-60.197.1175.6-90.3-77.4000110.7M686M686-F688 HydrophobicContact SD-CE2 4.41Å
689T26.6Very low26.6Very low99 Ų99145 Ų14561%0.60780%0.799SS**  trans-101.780.7-178.9-52.60000108.5R687 R691R687-T689 PolarHBondContact O-N 3.41Å; R687-T689 PolarHBondContact O-OG1 3.37Å; T689-R691 VanDerWaalsContact C-N 3.33Å; T689-R691 HydrophobicContact CG2-CG 4.33Å; T689-R691 PolarHBondContact O-N 3.26Å
690K26.9Very low26.6Very low208 Ų208147.5 Ų147.590%0.90480%0.803SS**  trans-71.288.9171.9-83.1-172.8174.5-179.50109.8
691R27.7Very low26.7Very low217 Ų217149.5 Ų149.582%0.81981%0.807SS**  trans-85.7147.3165.1-90179.7169.2173.3-3.3110.7T689T689-R691 VanDerWaalsContact C-N 3.33Å; T689-R691 HydrophobicContact CG2-CG 4.33Å; T689-R691 PolarHBondContact O-N 3.26Å
692S31.3Very low26.6Very low103 Ų103150.2 Ų150.272%0.7281%0.81SS**  trans54.5104.815657.90000119.6
693S28.5Very low26.6Very low125 Ų125150.6 Ų150.687%0.87481%0.813SS**  trans-131.895.6131.961.10000108.3
694I26.5Very low26.3Very low139 Ų139150.5 Ų150.571%0.71382%0.815SS**  trans-89.7130.6178.1-73.3173.3000108.5
695Q28.6Very low26.2Very low182 Ų182152.1 Ų152.185%0.8582%0.815SS**  trans38.6102.9157.5-62.3165.2-29.500118.3
696S27.2Very low26.1Very low105 Ų105150 Ų15073%0.73481%0.809SS**  trans-154.791148.6-171.70000110
697L23.8Very low26.2Very low171 Ų171152.2 Ų152.290%0.89582%0.815SS**  trans-164.840.6172.3-114.5172.4000112.9
698T23.4Very low26.1Very low144 Ų144147.9 Ų147.988%0.88381%0.809SS**SBendtrans-134.121177.3-32.10000112.4
699S24.6Very low25.8Very low95 Ų95143.9 Ų143.966%0.66480%0.804SS**SBendtrans-153.946.4-172.351.40000115.2
700I24.8Very low25.7Very low160 Ų160143.5 Ų143.582%0.82181%0.805SS**SBendtrans-138.1140.7150.5-70.397.9000107.2
701I28.6Very low25.5Very low162 Ų162143.1 Ų143.183%0.83180%0.803SS**SBendtrans94.261.2-169.6-49.7163000113.3
702L23.2Very low25.6Very low170 Ų170142.6 Ų142.689%0.8981%0.811SS**SBendtrans-156.747.4156-121.5166.7000109.6
703S24.4Very low25.2Very low116 Ų116142.6 Ų142.681%0.81181%0.811SS**  trans-164.492.7179.2-74.90000111.3
704S24.3Very low25Very low129 Ų129144.7 Ų144.790%0.90281%0.811SS**  trans-17384.7154.4-83.10000108.7
705S23.7Very low25.1Very low107 Ų107142.9 Ų142.975%0.74881%0.808SS**  trans-80.1133.7175.249.40000111.1
706T24.1Very low25.1Very low130 Ų130141.5 Ų141.580%0.79881%0.812SS**  trans37.3100.3148.656.10000117.8
707F26.7Very low25.1Very low219 Ų219145.6 Ų145.696%0.96182%0.816SS**  trans-109142.2147.1-138.2-97.5000109.4
708N24.3Very low25.4Very low139 Ų139146.8 Ų146.874%0.74382%0.818SS**  trans-124.8167.5-163-164.40.3000110
709S23.1Very low25.4Very low101 Ų101145 Ų14571%0.70681%0.811SS**  trans69.6156.8178.2880000115.6
710S23.5Very low25.3Very low92 Ų92145.7 Ų145.764%0.64381%0.814SS**  cis-167.8157-3056.50000109.6
711K22.6Very low25.4Very low199 Ų199147.1 Ų147.187%0.86582%0.818SS**  trans45106.9152.9-62.9171.1-177.5179.80118
712Q30.5Very low25.3Very low207 Ų207144.4 Ų144.497%0.96781%0.808SS**  -147.2136.4123.7-119.3174.816.400111.7
713S22.8Very low25.5Very low103 Ų103144.6 Ų144.672%0.7281%0.809SS**  trans-112.1148.2-176.252.60000110.1
714L24.6Very low25.4Very low168 Ų168146.9 Ų146.988%0.8881%0.807SS**  -160.6150.5127.9-126.376.4000109.7
715P29.5Very low25.6Very low101 Ų101149.2 Ų149.266%0.65680%0.804SS**  trans-106158.1-167.239-31.6000114
716V28.1Very low25.8Very low153 Ų153150.7 Ų150.793%0.92780%0.803SS**  trans-114.1121151.9177.80000107.5
717K26.5Very low25.7Very low191 Ų191151.5 Ų151.583%0.8380%0.802SS**  trans-88138.1177.2-67.5176.4175.8178.70109.9
718Q30Very low25.7Very low197 Ų197147.2 Ų147.292%0.92179%0.789SS**  trans-144.7138.6142.7-112.7170.8-400109.5
719S24.7Very low25.8Very low107 Ų107148.7 Ų148.775%0.74879%0.789SS**  trans-58.9140.6176.938.40000110.9
720C20.5Very low25.8Very low108 Ų108153.3 Ų153.373%0.7379%0.792SS**  cis66.187.244.6-158.70000113.5
721E28.5Very low26.2Very low191 Ų191155.7 Ų155.789%0.89380%0.798SS**  trans-125.2133.8147.5-76.3-165.5152.300108.7
722V25.2Very low26.1Very low105 Ų105152 Ų15264%0.63680%0.795SS**  trans-120.6112.6-179.8170.70000107.1Q724V722-Q724 HydrophobicContact CG1-CG 3.97Å
723L28.3Very low26Very low174 Ų174151 Ų15191%0.91179%0.788SS**  trans-105.992.9165.6-72.1177.7000109.3
724Q22.6Very low26.1Very low164 Ų164154.6 Ų154.677%0.76679%0.794SS**  trans-77.4136.3158.2-70.2171.5-22.400108.8V722V722-Q724 HydrophobicContact CG1-CG 3.97Å
725Q28.1Very low26.2Very low177 Ų177152.1 Ų152.183%0.82779%0.79SS**  trans-172.4137.2140.1-105.6163.738.100112.7
726N27.3Very low26.1Very low139 Ų139151.2 Ų151.274%0.74380%0.8SS**  trans45.9114.1150.6-56.7-31.6000118.3
727L23.4Very low26Very low146 Ų146149.8 Ų149.876%0.76479%0.787SS**  cis53.686.339.9-104.7173.4000113.5
728N26.2Very low26.3Very low130 Ų130148.6 Ų148.670%0.69579%0.788SS**  157.3135.8117.9-86.5-57.5000116.5
729K25.2Very low26.1Very low170 Ų170145.2 Ų145.274%0.73978%0.776SS**  trans73.3123.8134.9-73.4-170.6175.7-178.60123.5
730Y22.8Very low26.1Very low197 Ų197146.9 Ų146.977%0.77378%0.777SS**  trans58.7121.1141.4-72.1-111.1000119.9
731N32Very low26.6Very low142 Ų142148.8 Ų148.876%0.75979%0.785SS**  -166.3134.8105.1-91.5-21.3000111.2
732C20.4Very low26.6Very low121 Ų121148.3 Ų148.382%0.81878%0.78SS**  trans-80.7143.5163.1-64.90000108.7
733F29Very low26.6Very low186 Ų186152.2 Ų152.282%0.81679%0.791SS**  trans-125.4153.9159.5-95.9-76.8000109.7
734E26.2Very low26.7Very low180 Ų180149.8 Ų149.884%0.84178%0.784SS**  trans-86.1151.4-145.1-64.5162.1120.200114.8G736E734-G736 PolarHBondContact O-N 3.33Å
735S26.8Very low26.9Very low115 Ų115149.7 Ų149.780%0.80479%0.787SS**  trans-74.2104165.952.70000110.4N737S735-N737 PolarHBondContact O-N 3.28Å; S735-N737 VanDerWaalsContact O-N 3.16Å
736G27.3Very low27.1Very low83 Ų83147.1 Ų147.186%0.85678%0.783SS**  trans-64.8109.2169.800000111.5E734E734-G736 PolarHBondContact O-N 3.33Å
737N25.7Very low27Very low122 Ų122148.4 Ų148.465%0.65278%0.784SS**  trans-97.2115.2177.8175.515000109.9S735S735-N737 PolarHBondContact O-N 3.28Å; S735-N737 VanDerWaalsContact O-N 3.16Å
738I31.8Very low27.1Very low167 Ų167147 Ų14786%0.85679%0.785SS**  trans-133.4123.2165-54.4-178.8000108.7
739N26.2Very low27.3Very low126 Ų126149 Ų14967%0.67479%0.79SS**  trans-91.4160.6-177-64.9-69.9000112.3
740N25.3Very low27.2Very low142 Ų142147.5 Ų147.576%0.75980%0.796SS**  trans72.2100.4140.6-150.912.4000118.8
741T30.5Very low27.6Very low147 Ų147144.1 Ų144.190%0.90280%0.795SS**  trans-143.8146144.8-38.40000110
742K29Very low27.4Very low182 Ų182143.9 Ų143.979%0.79179%0.794SS**  trans-79.9158.5-159-64.4169.1179.5172.50113.8
743H24.6Very low27.7Very low186 Ų186143.7 Ų143.786%0.86179%0.794SS**  trans-64.1132.3166.5-70.7-94.2000111.5
744T30.8Very low27.6Very low124 Ų124142.8 Ų142.876%0.76179%0.792SS**  trans-123.1115.7155.3-520000108V746T744-V746 PolarHBondContact O-N 2.99Å
745I26.3Very low27.8Very low162 Ų162144.1 Ų144.183%0.83180%0.795SS**  trans-80101.7178.8-64.3165.9000107.3
746V32.4Very low27.9Very low122 Ų122146.9 Ų146.974%0.73980%0.8SS**  trans-86.5129.3171-179.50000109T744 C748T744-V746 PolarHBondContact O-N 2.99Å; V746-C748 PolarHBondContact O-N 3.32Å
747H25.8Very low28Very low167 Ų167150.8 Ų150.877%0.77380%0.8SS**  trans-54.1127.6-171.3-150.6-54.6000112.4Q749H747-Q749 PolarHBondContact O-N 3.44Å; H747-Q749 VanDerWaalsContact O-N 3.1Å
748C25Very low28.2Very low116 Ų116151.8 Ų151.878%0.78481%0.806SS**  trans-66111.3170.5-70.60000109.3V746V746-C748 PolarHBondContact O-N 3.32Å
749Q29.3Very low28.2Very low172 Ų172150.5 Ų150.580%0.80481%0.805SS**  trans-91.4125.3163.7-82.7-170.2-10.700110.1H747 V751H747-Q749 PolarHBondContact O-N 3.44Å; H747-Q749 VanDerWaalsContact O-N 3.1Å; Q749-V751 VanDerWaalsContact C-N 3.35Å; Q749-V751 PolarHBondContact O-N 2.83Å
750T25.1Very low28.2Very low139 Ų139149.6 Ų149.685%0.85381%0.809SS**  trans-72.180.5-178.2-48.40000111.3
751V31.1Very low28.5Very low126 Ų126152 Ų15276%0.76481%0.813SS**  trans-82.2118.8175.3-175.50000110.2Q749 S753Q749-V751 VanDerWaalsContact C-N 3.35Å; Q749-V751 PolarHBondContact O-N 2.83Å; V751-S753 PolarHBondContact O-N 3.2Å
752N27.4Very low28.5Very low136 Ų136155.9 Ų155.973%0.72781%0.811SS**  trans-52.5128.1-175.6-86-50000114H754N752-H754 VanDerWaalsContact C-N 3.34Å; N752-H754 PolarHBondContact O-N 3.3Å
753S25.9Very low28.5Very low118 Ų118154.6 Ų154.683%0.82581%0.813SS**  trans-75.175.9-179.657.10000113.1V751V751-S753 PolarHBondContact O-N 3.2Å
754H27.8Very low28.7Very low166 Ų166154.4 Ų154.477%0.76982%0.817SS**  trans-129.379.7171-72.6-36000111.7N752N752-H754 VanDerWaalsContact C-N 3.34Å; N752-H754 PolarHBondContact O-N 3.3Å
755K29.7Very low28.9Very low209 Ų209157.9 Ų157.991%0.90982%0.822SS**  trans163.185152.6-91156.3-175.4-179.90110.7
756L27.9Very low29.2Very low173 Ų173158.8 Ų158.891%0.90682%0.823SS**  trans-155.249.7165.5-151.580.9000114.3
757L29.4Very low28.9Very low165 Ų165160.5 Ų160.586%0.86482%0.824SS**  trans-145.761.6169.6-96.2177.1000110.7
758D31.4Very low29.4Very low143 Ų143158 Ų15877%0.76582%0.817SS**  trans-139.564.5176.3-144.23.9000111.4
759T30.8Very low29.8Very low139 Ų139157.7 Ų157.785%0.85381%0.813SS**SBendtrans-150.6-8.7178.3-18.40000115.6
760S27.4Very low30.2Very low108 Ų108153.7 Ų153.776%0.75580%0.804SS**SBendtrans-96.74.8-177.157.20000115.6
761K31Very low30.7Very low193 Ų193151.7 Ų151.784%0.83979%0.788SS**  trans-89.75.6-175.5-91.1-176.4178.7173.20116.5
762R29.9Very low31Very low227 Ų227151.2 Ų151.286%0.85779%0.785SS**SBendtrans-109.9114.3169.9-72.1-178.1178133.9-1109.5
763N29.5Very low31.3Very low156 Ų156152.5 Ų152.583%0.83479%0.787SS**  trans149.96.9148.3-74-19.2000116.8K765N763-K765 PolarHBondContact O-N 3.42Å
764L29.2Very low31.8Very low181 Ų181151.3 Ų151.395%0.94878%0.779SS**  trans-81.797.9155.5-98.479.1000109.5
765K33.7Very low31.9Very low198 Ų198150.5 Ų150.586%0.86178%0.779SS**  trans-56.4141165-76.7-179.3174.1178.40109.2N763 M767N763-K765 PolarHBondContact O-N 3.42Å; K765-M767 PolarHBondContact O-N 2.91Å
766Q33.1Very low31.9Very low181 Ų181147.6 Ų147.685%0.84677%0.773SS**  trans-58.6110.4171.3-68.8172.6-300109.1N768Q766-N768 PolarHBondContact O-N 3.01Å
767M26.8Very low32.1Very low158 Ų158148.7 Ų148.778%0.77877%0.771SS**  trans-79.8111.8167.3-163.8161.1174.500106.4K765 D771K765-M767 PolarHBondContact O-N 2.91Å; M767-D771 WeakPolarHBondContact CE-OD2 3.4Å
768N35.5Very low32.1Very low115 Ų115145 Ų14562%0.61576%0.759SS**  trans-58.4140.7-171.8-78.6-37.9000110.9Q766 S770Q766-N768 PolarHBondContact O-N 3.01Å; N768-S770 PolarHBondContact O-N 3.48Å
769P33.7Very low32Very low108 Ų108147.5 Ų147.570%0.70176%0.763SS**THydrogen-bonded Turntrans-71.418.3-172.929.3-36.2000114.9
770S38Very low32.1Very low89 Ų89148.4 Ų148.462%0.62276%0.761SS**THydrogen-bonded Turntrans-76-29.7176.8-530000112.8N768 V772 H773N768-S770 PolarHBondContact O-N 3.48Å; S770-V772 VanDerWaalsContact C-N 3.26Å; S770-V772 PolarHBondContact O-N 3.01Å; S770-H773 PolarHBondContact O-N 3.48Å
771D36.4Very low32.2Very low97 Ų97150.3 Ų150.352%0.51976%0.763SS.*G310 helixtrans-72.4-16.4-175-68.8-23.9000113.9M767 H773 S774M767-D771 WeakPolarHBondContact CE-OD2 3.4Å; D771-H773 VanDerWaalsContact C-N 3.29Å; D771-H773 PolarHBondContact O-N 2.85Å; D771-S774 PolarHBondContact O-OG 3.04Å
772V35.7Very low32.2Very low116 Ų116149.7 Ų149.770%0.70376%0.763SS**G310 helixtrans-75.7-17177.5-174.30000112.3S770 S774S770-V772 VanDerWaalsContact C-N 3.26Å; S770-V772 PolarHBondContact O-N 3.01Å; V772-S774 VanDerWaalsContact C-N 3.34Å; V772-S774 PolarHBondContact O-N 3.14Å
773H33.8Very low32.1Very low162 Ų162150.8 Ų150.875%0.7577%0.767SS**G310 helixtrans-81.9-5.8179.5-88.2-43.2000115.3S770 D771S770-H773 PolarHBondContact O-N 3.48Å; D771-H773 VanDerWaalsContact C-N 3.29Å; D771-H773 PolarHBondContact O-N 2.85Å
774S36.2Very low32Very low94 Ų94153.5 Ų153.566%0.65777%0.771SS**G310 helixtrans-85.2-18.1179.259.70000114.3D771 V772D771-S774 PolarHBondContact O-OG 3.04Å; V772-S774 VanDerWaalsContact C-N 3.34Å; V772-S774 PolarHBondContact O-N 3.14Å
775L30.7Very low32Very low149 Ų149148.8 Ų148.878%0.7876%0.759SS**SBendtrans-91-0.2-176-86168.1000115.9
776N28.9Very low31.7Very low147 Ų147147.4 Ų147.479%0.78676%0.76SS**SBendtrans-118.534.2-175.5-153.210.7000114
777K32.5Very low31.6Very low196 Ų196143.3 Ų143.385%0.85275%0.752SS**SBendtrans-134.32.5178.9-83.8-162.4172.1-168.60116.5
778S30.3Very low31.7Very low88 Ų88142.6 Ų142.662%0.61575%0.751SS**SBendtrans-1007.5-177.859.30000115.7
779F29.4Very low31.4Very low195 Ų195144.2 Ų144.286%0.85576%0.758SS**SBendtrans-126.740-179-77.5-75.3000113.8
780I31.7Very low31.2Very low159 Ų159145.5 Ų145.582%0.81576%0.759SS**SBendtrans-135.962.6158-46.1179.3000109.3
781D30.7Very low30.6Very low148 Ų148149.1 Ų149.179%0.79177%0.768SS**SBendtrans-150.5151.5156-99.1-43.8000108.3
782H29.8Very low30.3Very low180 Ų180152.7 Ų152.783%0.83378%0.779SS**SBendtrans69.765.6-170.2-56.6-79.9000117.5
783R28.5Very low30.1Very low250 Ų250153 Ų15394%0.94378%0.781SS**  -15160.1129.3-109.4178-138.2-150.55.7112A785R783-A785 PolarHBondContact O-N 3.18Å
784K28.4Very low29.9Very low213 Ų213151.6 Ų151.693%0.92678%0.779SS**  trans-80.2101.9152.8-87.4-178175.5174.70107.9
785A28.6Very low29.5Very low82 Ų82155.8 Ų155.868%0.67879%0.788SS**  trans-149.179165.100000108.1R783 S787R783-A785 PolarHBondContact O-N 3.18Å; A785-S787 PolarHBondContact O-N 3.01Å
786N27.6Very low29.5Very low168 Ų168153.2 Ų153.290%0.89878%0.783SS**  trans-74.9110.5164.3-74.30.3000107.4
787S30.9Very low29.4Very low96 Ų96154.2 Ų154.267%0.67178%0.783SS**  trans-135.2100.7159.456.80000107.9A785 I789A785-S787 PolarHBondContact O-N 3.01Å; S787-I789 PolarHBondContact O-N 3.46Å
788N27.5Very low29.2Very low143 Ų143153 Ų15377%0.76579%0.786SS**  trans-56.4119167.7-66.1-11.7000107.9
789I30.2Very low29.3Very low148 Ų148153.7 Ų153.776%0.75979%0.786SS**  trans-102.891.2157.4-61.8-178.6000105.2S787 M791S787-I789 PolarHBondContact O-N 3.46Å; I789-M791 VanDerWaalsContact C-N 3.26Å; I789-M791 HydrophobicContact CG2-CG 4.05Å; I789-M791 PolarHBondContact O-N 3.35Å
790D28.7Very low29.1Very low135 Ų135154.6 Ų154.672%0.72278%0.784SS**  trans-64.287169.1-77.5-50.5000109K792D790-K792 VanDerWaalsContact C-N 3.31Å; D790-K792 PolarHBondContact O-N 3.45Å
791M27Very low29Very low165 Ų165154.6 Ų154.681%0.81378%0.783SS**  trans-75.893.2160.9-68.3-145.4-62.800108I789 V793I789-M791 VanDerWaalsContact C-N 3.26Å; I789-M791 HydrophobicContact CG2-CG 4.05Å; I789-M791 PolarHBondContact O-N 3.35Å; M791-V793 PolarHBondContact O-N 2.92Å
792K29.1Very low28.8Very low172 Ų172154.8 Ų154.875%0.74878%0.78SS**  trans-53.5125173.1-71.3-179.3175.2-178.40109.8D790 D794D790-K792 VanDerWaalsContact C-N 3.31Å; D790-K792 PolarHBondContact O-N 3.45Å; K792-D794 PolarHBondContact O-N 3.22Å; K792-D794 VanDerWaalsContact O-N 3.14Å
793V30.8Very low28.7Very low123 Ų123157.1 Ų157.175%0.74578%0.781SS**  trans-77.992.3164.2179.50000106.8M791 Q795M791-V793 PolarHBondContact O-N 2.92Å; V793-Q795 HydrophobicContact CG1-CG 4.15Å; V793-Q795 PolarHBondContact O-N 3.19Å
794D30.6Very low28.9Very low133 Ų133154.8 Ų154.871%0.71178%0.778SS**  trans-69.793.7174.1-78.4-24.9000109.7K792 S796K792-D794 PolarHBondContact O-N 3.22Å; K792-D794 VanDerWaalsContact O-N 3.14Å; D794-S796 PolarHBondContact O-N 3.09Å
795Q28.4Very low28.9Very low181 Ų181150.8 Ų150.885%0.84677%0.766SS**  trans-76.669.4170.2-65.1-174.511.200110.5V793V793-Q795 HydrophobicContact CG1-CG 4.15Å; V793-Q795 PolarHBondContact O-N 3.19Å
796S29.1Very low28.9Very low95 Ų95154.1 Ų154.166%0.66477%0.773SS**  trans-157.275.4174.463.70000114.5D794D794-S796 PolarHBondContact O-N 3.09Å
797E27.9Very low29.1Very low169 Ų169155.6 Ų155.679%0.7977%0.774SS**  trans-156.691.9138.3-126.2172.5-176.300113.1V799E797-V799 HydrophobicContact CB-CG2 3.95Å; E797-V799 HydrophobicContact CG-CG2 3.72Å; E797-V799 PolarHBondContact O-N 2.68Å
798N27.2Very low28.8Very low171 Ų171160.2 Ų160.291%0.91478%0.782SS**  trans-70.877.5157.3-82.2-39.6000108.1R800N798-R800 VanDerWaalsContact C-N 3.25Å; N798-R800 PolarHBondContact O-N 3.23Å
799V32.1Very low28.7Very low101 Ų101161.3 Ų161.361%0.61279%0.788SS**  trans-68.692172.3-178.30000108.4E797 I801E797-V799 HydrophobicContact CB-CG2 3.95Å; E797-V799 HydrophobicContact CG-CG2 3.72Å; E797-V799 PolarHBondContact O-N 2.68Å; V799-I801 PolarHBondContact O-N 3.42Å
800R25.8Very low28.5Very low215 Ų215159.6 Ų159.681%0.81179%0.786SS**  trans-58.191173.3-175.8-171.4-161.5179.64.4109.2N798 E802N798-R800 VanDerWaalsContact C-N 3.25Å; N798-R800 PolarHBondContact O-N 3.23Å; R800-E802 PolarHBondContact O-N 3.22Å
801I30.6Very low28.1Very low158 Ų158160.4 Ų160.481%0.8179%0.789SS**  trans-63.3106.4172.4-61179.6000107.6V799V799-I801 PolarHBondContact O-N 3.42Å
802E26.8Very low28.1Very low152 Ų152160 Ų16071%0.7179%0.788SS**  trans-65.9134-178.2-66.3-172.8132.700110.7R800 K804R800-E802 PolarHBondContact O-N 3.22Å; E802-K804 PolarHBondContact O-N 3.04Å; E802-K804 VanDerWaalsContact O-N 3.14Å
803R27.2Very low27.7Very low230 Ų230156.5 Ų156.587%0.86878%0.782SS**  trans-68.7109.5168.2-55.9179.5-164.11683.6107.5
804K31.4Very low27.5Very low200 Ų200157.3 Ų157.387%0.8779%0.787SS**  trans-81.5127.2158.7-76-161.8172.6-173.10108.6E802E802-K804 PolarHBondContact O-N 3.04Å; E802-K804 VanDerWaalsContact O-N 3.14Å
805N30.1Very low27.1Very low129 Ų129156.3 Ų156.369%0.6979%0.786SS**  trans-80.3151-170.8-58.9-39.2000111.7
806D28.4Very low27.1Very low152 Ų152154.6 Ų154.681%0.81379%0.788SS**  trans39.895.8136.8-50.5-26.2000118.5
807E30.7Very low26.8Very low199 Ų199159.5 Ų159.593%0.9380%0.8SS**  trans-128.2121.6145.8-156.7160.2-144.200110.2
808K24.2Very low26.7Very low193 Ų193155 Ų15584%0.83980%0.8SS**  trans-83.4130.9-171.4-68.2171.1175.91730110.9
809L27.1Very low26.7Very low167 Ų167153.3 Ų153.387%0.87479%0.791SS**  trans-130.7153.4153.4-79.2178.7000110.4
810P24.3Very low26.4Very low112 Ų112154.8 Ų154.873%0.72780%0.8SS**  trans-86.3147.8-138.130.5-36.6000115.4I812P810-I812 PolarHBondContact O-N 3.15Å
811I22.1Very low26.4Very low151 Ų151151.7 Ų151.777%0.77479%0.794SS**  trans-69.8121.4166.2-60.6164.9000108.3T813I811-T813 WeakPolarHBondContact CG2-OG1 3.41Å
812I26.3Very low26.2Very low156 Ų156153.5 Ų153.580%0.880%0.796SS**  trans-115.9116.7152.8-64.2-177.6000107.3P810P810-I812 PolarHBondContact O-N 3.15Å
813T21.6Very low26.2Very low100 Ų100152.4 Ų152.461%0.61380%0.8SS**  trans-84.9120.9-173.1-53.10000110.8I811 T815I811-T813 WeakPolarHBondContact CG2-OG1 3.41Å; T813-T815 HydrophobicContact CG2-CG2 4.43Å
814T25.7Very low26.1Very low139 Ų139146.7 Ų146.785%0.85380%0.795SS**  trans-126.986.5155.37.50000110.1
815T23Very low25.9Very low112 Ų112144.1 Ų144.169%0.68779%0.79SS**  trans-42.5126.9161.619.20000113.4T813T813-T815 HydrophobicContact CG2-CG2 4.43Å
816T26.8Very low25.8Very low146 Ų146145.6 Ų145.690%0.89680%0.797SS**  -158.7139.51214.40000111.4
817Q24.5Very low25.7Very low197 Ų197143 Ų14392%0.92179%0.791SS**  trans-86.6151-178.8-61.2157.7-46.900110
818G24.9Very low25.5Very low76 Ų76144.7 Ų144.778%0.78479%0.789SS**  trans-174.244.3-175.900000118.5
819N26.8Very low25.8Very low135 Ų135143.2 Ų143.272%0.72279%0.79SS**  trans49.495.1157.6-156.810000118.9Q821N819-Q821 PolarHBondContact O-N 3.12Å
820V26.5Very low25.8Very low132 Ų132140.5 Ų140.580%0.879%0.786SS**  trans-75.184.9168.2-176.60000110.3K822V820-K822 HydrophobicContact CG1-CG 4.4Å; V820-K822 PolarHBondContact O-N 3.05Å
821Q25.3Very low25.9Very low149 Ų149142.4 Ų142.470%0.69679%0.789SS**  trans-76.2109.2161-80.5-168.9-10.200109.6N819 T823N819-Q821 PolarHBondContact O-N 3.12Å; Q821-T823 VanDerWaalsContact C-N 3.34Å; Q821-T823 PolarHBondContact O-N 3.32Å
822K26Very low26.4Very low197 Ų197140.4 Ų140.486%0.85779%0.786SS**  trans-69.587.7169.9-68.8176.2176.5176.50109.4V820 S824V820-K822 HydrophobicContact CG1-CG 4.4Å; V820-K822 PolarHBondContact O-N 3.05Å; K822-S824 PolarHBondContact O-N 3.03Å
823T28Very low27.1Very low129 Ų129135.2 Ų135.279%0.79177%0.766SS**  trans-71.3117.1164.639.80000108.9Q821Q821-T823 VanDerWaalsContact C-N 3.34Å; Q821-T823 PolarHBondContact O-N 3.32Å
824S24.6Very low27.8Very low109 Ų109139.4 Ų139.476%0.76278%0.776SS**  trans-65.7134176.3-178.80000110.1K822 D826K822-S824 PolarHBondContact O-N 3.03Å; S824-D826 PolarHBondContact O-N 3.21Å
825I26.8Very low28.7Very low147 Ų147140.3 Ų140.375%0.75477%0.771SS**  trans-26.6113.1165.2-56.1162.1000113
826D27.9Very low30Very low159 Ų159139.7 Ų139.785%0.8576%0.763SS**  trans-109.4110.7151-92.9-39.3000108.3S824 W828S824-D826 PolarHBondContact O-N 3.21Å; D826-W828 PolarHBondContact O-N 3.12Å
827S26.5Very low31Very low98 Ų98138.8 Ų138.869%0.68575%0.749SS**  trans-90.871.8-166.160.20000112.9
828W27Very low32.7Very low234 Ų234134.8 Ų134.889%0.88673%0.73SS**  trans-129.635179.3-7877.9000114.5D826 S830D826-W828 PolarHBondContact O-N 3.12Å; W828-S830 PolarHBondContact O-N 2.97Å
829N29.9Very low34.9Very low162 Ų162138.1 Ų138.187%0.86672%0.723SS**  trans-80.999.6164.3-76.9-13.1000109.8L831N829-L831 PolarHBondContact O-N 3.01Å
830S26.9Very low37Very low111 Ų111136.1 Ų136.178%0.77671%0.711SS**  trans-61.1125.4171.946.90000110.5W828 P832W828-S830 PolarHBondContact O-N 2.97Å; S830-P832 VanDerWaalsContact O-CD 3.31Å; S830-P832 WeakPolarHBondContact O-CD 3.32Å
831L27.5Very low39.3Very low152 Ų152133.3 Ų133.380%0.79669%0.694SS**  trans-66.5119.8173.5-108.368.9000109.6N829 A833N829-L831 PolarHBondContact O-N 3.01Å; L831-A833 PolarHBondContact O-N 2.94Å
832P31.7Very low41.7Very low108 Ų108129.9 Ų129.970%0.70168%0.681SS**  trans-81.655.3-178.834.8-35.9000111.7S830S830-P832 VanDerWaalsContact O-CD 3.31Å; S830-P832 WeakPolarHBondContact O-CD 3.32Å
833A40.6Very low44.2Very low48 Ų48126.2 Ų126.240%0.39767%0.67SS.*  trans-83.6-13.1-17300000115L831 H837L831-A833 PolarHBondContact O-N 2.94Å; A833-H837 PolarHBondContact O-ND1 2.99Å
834F36.2Very low46.6Very low187 Ų187124.2 Ų124.282%0.8265%0.653SS**Hα-helixtrans-95.7-18.7-170.5-80.5-78.9000115.6
835Q45.5Very low49.2Very low158 Ų158122.6 Ų122.674%0.73864%0.636SS**Hα-helixtrans-79.2-34.6177.9-81.8-173-2400113.2H837 Q838 K839Q835-H837 VanDerWaalsContact C-N 3.32Å; Q835-H837 PolarHBondContact O-N 3.48Å; Q835-Q838 PolarHBondContact O-N 3.44Å; Q835-K839 PolarHBondContact O-N 2.93Å
836D51.1Low51.6Low99 Ų99121.5 Ų121.553%0.52963%0.627SS.*Hα-helixtrans-66.1-35.6-178-65.6-23.7000112.5Q838 K839 I840D836-Q838 VanDerWaalsContact C-N 3.32Å; D836-Q838 PolarHBondContact O-N 2.98Å; D836-K839 PolarHBondContact O-N 3.15Å; D836-I840 WeakPolarHBondContact O-CG1 3.47Å; D836-I840 PolarHBondContact O-N 3.1Å
837H47.4Very low53.8Low128 Ų128119.9 Ų119.959%0.59361%0.614SS**Hα-helixtrans-62.2-37.9176.7-74.187.5000112.4A833 Q835 I840 V841A833-H837 PolarHBondContact O-ND1 2.99Å; Q835-H837 VanDerWaalsContact C-N 3.32Å; Q835-H837 PolarHBondContact O-N 3.48Å; H837-I840 PolarHBondContact O-N 3.46Å; H837-V841 WeakPolarHBondContact O-CG2 3.44Å; H837-V841 PolarHBondContact O-N 3.23Å
838Q59.5Low56Low113 Ų113119.8 Ų119.853%0.52861%0.605SS.*Hα-helixtrans-67-47.9177.4-168.76649.900110.8Q835 D836 I840 V841 D842Q835-Q838 PolarHBondContact O-N 3.44Å; D836-Q838 VanDerWaalsContact C-N 3.32Å; D836-Q838 PolarHBondContact O-N 2.98Å; Q838-I840 VanDerWaalsContact C-N 3.3Å; Q838-I840 PolarHBondContact O-N 2.93Å; Q838-V841 PolarHBondContact O-N 3.06Å; Q838-V841 VanDerWaalsContact O-N 3.13Å; Q838-D842 PolarHBondContact NE2-OD1 3.25Å; Q838-D842 VanDerWaalsContact O-CG 3.26Å; Q838-D842 PolarHBondContact O-N 2.98Å
839K71.3Confident58.2Low145 Ų145111.9 Ų111.963%0.6358%0.58SS**Hα-helixtrans-57.6-40175.6-78.4-176.5174.3177.90112.9Q835 D836 L843Q835-K839 PolarHBondContact O-N 2.93Å; D836-K839 PolarHBondContact O-N 3.15Å; K839-L843 WeakPolarHBondContact O-CB 3.37Å; K839-L843 WeakPolarHBondContact O-CG 3.45Å; K839-L843 PolarHBondContact O-N 3.39Å
840I70.6Confident60Low93 Ų93109.1 Ų109.148%0.47756%0.562SS.*Hα-helixtrans-66-41.5177.1-72.9167.9000111.2D836 H837 Q838 I844D836-I840 WeakPolarHBondContact O-CG1 3.47Å; D836-I840 PolarHBondContact O-N 3.1Å; H837-I840 PolarHBondContact O-N 3.46Å; Q838-I840 VanDerWaalsContact C-N 3.3Å; Q838-I840 PolarHBondContact O-N 2.93Å; I840-I844 HydrophobicContact CG2-CD1 3.83Å; I840-I844 WeakPolarHBondContact O-CD1 3.48Å; I840-I844 VanDerWaalsContact O-CG1 3.26Å; I840-I844 WeakPolarHBondContact O-CG1 3.26Å; I840-I844 PolarHBondContact O-N 3.1Å; I840-I844 VanDerWaalsContact O-N 3.08Å
841V74Confident61.4Low74 Ų74108.3 Ų108.345%0.44855%0.549SS..Hα-helixtrans-64-44.9176.6168.50000111.1H837 Q838 I844 I845H837-V841 WeakPolarHBondContact O-CG2 3.44Å; H837-V841 PolarHBondContact O-N 3.23Å; Q838-V841 PolarHBondContact O-N 3.06Å; Q838-V841 VanDerWaalsContact O-N 3.13Å; V841-I844 PolarHBondContact O-N 2.98Å; V841-I845 HydrophobicContact CG1-CD1 3.85Å; V841-I845 WeakPolarHBondContact O-CG1 3.34Å; V841-I845 PolarHBondContact O-N 2.87Å
842D76.9Confident62.7Low76 Ų76105.1 Ų105.141%0.40653%0.532SS..Hα-helixtrans-65.5-40.1-179.7-59.6-25.8000111.2Q838 I844 I845 E846Q838-D842 PolarHBondContact NE2-OD1 3.25Å; Q838-D842 VanDerWaalsContact O-CG 3.26Å; Q838-D842 PolarHBondContact O-N 2.98Å; D842-I844 PolarHBondContact O-N 3.24Å; D842-I845 PolarHBondContact O-N 3.31Å; D842-E846 PolarHBondContact O-N 2.68Å
843L77.7Confident63.7Low121 Ų121103.1 Ų103.163%0.63452%0.518SS*.Hα-helixtrans-59.4-43.2172.3-87.3161.9000113.2K839 I845 E846 E847K839-L843 WeakPolarHBondContact O-CB 3.37Å; K839-L843 WeakPolarHBondContact O-CG 3.45Å; K839-L843 PolarHBondContact O-N 3.39Å; L843-I845 VanDerWaalsContact C-N 3.31Å; L843-I845 PolarHBondContact O-N 3.15Å; L843-E846 PolarHBondContact O-N 2.89Å; L843-E847 WeakPolarHBondContact O-CB 3.49Å; L843-E847 PolarHBondContact O-N 3.33Å
844I78.1Confident63.9Low86 Ų86104.7 Ų104.744%0.44152%0.519SS..Hα-helixtrans-67-34.5178.2-68.8164.7000110.9I840 V841 D842 I848I840-I844 HydrophobicContact CG2-CD1 3.83Å; I840-I844 WeakPolarHBondContact O-CD1 3.48Å; I840-I844 VanDerWaalsContact O-CG1 3.26Å; I840-I844 WeakPolarHBondContact O-CG1 3.26Å; I840-I844 PolarHBondContact O-N 3.1Å; I840-I844 VanDerWaalsContact O-N 3.08Å; V841-I844 PolarHBondContact O-N 2.98Å; D842-I844 PolarHBondContact O-N 3.24Å; I844-I848 HydrophobicContact CG2-CD1 3.91Å; I844-I848 WeakPolarHBondContact O-CD1 3.43Å; I844-I848 VanDerWaalsContact O-CG1 3.24Å; I844-I848 WeakPolarHBondContact O-CG1 3.41Å; I844-I848 PolarHBondContact O-N 3.06Å; I844-I848 VanDerWaalsContact O-N 3.08Å
845I81Confident64.2Low76 Ų76103.2 Ų103.239%0.3952%0.515SS..Hα-helixtrans-68.1-44.9176.8-69.5166.7000110.8V841 D842 L843 I848 L849V841-I845 HydrophobicContact CG1-CD1 3.85Å; V841-I845 WeakPolarHBondContact O-CG1 3.34Å; V841-I845 PolarHBondContact O-N 2.87Å; D842-I845 PolarHBondContact O-N 3.31Å; L843-I845 VanDerWaalsContact C-N 3.31Å; L843-I845 PolarHBondContact O-N 3.15Å; I845-I848 PolarHBondContact O-N 3.33Å; I845-L849 HydrophobicContact CG2-CD1 4.01Å; I845-L849 WeakPolarHBondContact O-CG 3.45Å; I845-L849 PolarHBondContact O-N 3.42Å
846E76.3Confident64Low124 Ų124101.1 Ų101.158%0.57951%0.509SS*.Hα-helixtrans-61.1-45.5174.4-74.6-66.2131.900111.8D842 L843 I848 L849 Q850D842-E846 PolarHBondContact O-N 2.68Å; L843-E846 PolarHBondContact O-N 2.89Å; E846-I848 VanDerWaalsContact C-N 3.31Å; E846-I848 PolarHBondContact O-N 3.25Å; E846-L849 PolarHBondContact O-N 3.02Å; E846-L849 VanDerWaalsContact O-N 3.14Å; E846-Q850 PolarHBondContact O-N 3.36Å
847E74.7Confident63.6Low124 Ų124101.7 Ų101.758%0.57951%0.511SS*.Hα-helixtrans-59.7-40.1177.2-173.7179.8-168.100112L843 N851L843-E847 WeakPolarHBondContact O-CB 3.49Å; L843-E847 PolarHBondContact O-N 3.33Å; E847-N851 WeakPolarHBondContact O-CB 3.47Å; E847-N851 PolarHBondContact O-N 3.01Å; E847-N851 VanDerWaalsContact O-N 3.12Å; E847-N851 PolarHBondContact O-ND2 3.41Å
848I72.5Confident62.8Low96 Ų96100 Ų10049%0.49251%0.513SS..Hα-helixtrans-66.5-42175.6-70.4166.5000111.2I844 I845 E846 I852I844-I848 HydrophobicContact CG2-CD1 3.91Å; I844-I848 WeakPolarHBondContact O-CD1 3.43Å; I844-I848 VanDerWaalsContact O-CG1 3.24Å; I844-I848 WeakPolarHBondContact O-CG1 3.41Å; I844-I848 PolarHBondContact O-N 3.06Å; I844-I848 VanDerWaalsContact O-N 3.08Å; I845-I848 PolarHBondContact O-N 3.33Å; E846-I848 VanDerWaalsContact C-N 3.31Å; E846-I848 PolarHBondContact O-N 3.25Å; I848-I852 HydrophobicContact CG2-CD1 3.86Å; I848-I852 WeakPolarHBondContact O-CD1 3.34Å; I848-I852 VanDerWaalsContact O-CG1 3.27Å; I848-I852 WeakPolarHBondContact O-CG1 3.34Å; I848-I852 PolarHBondContact O-N 2.92Å; I848-I852 VanDerWaalsContact O-N 3.15Å
849L73.3Confident61.6Low69 Ų69103.8 Ų103.836%0.36153%0.528SS..Hα-helixtrans-67.4-38.8179.2-72170.5000112.5I845 E846 I852 T853I845-L849 HydrophobicContact CG2-CD1 4.01Å; I845-L849 WeakPolarHBondContact O-CG 3.45Å; I845-L849 PolarHBondContact O-N 3.42Å; E846-L849 PolarHBondContact O-N 3.02Å; E846-L849 VanDerWaalsContact O-N 3.14Å; L849-I852 PolarHBondContact O-N 2.99Å; L849-T853 PolarHBondContact O-N 3.04Å; L849-T853 VanDerWaalsContact O-N 3.08Å; L849-T853 PolarHBondContact O-OG1 3.07Å
850Q67.1Low59.6Low103 Ų103102.1 Ų102.148%0.48153%0.53SS..Hα-helixtrans-63.8-49.4175.3-170.56246.700111.1E846 I852 T853 D854E846-Q850 PolarHBondContact O-N 3.36Å; Q850-I852 VanDerWaalsContact C-N 3.27Å; Q850-I852 PolarHBondContact O-N 3.24Å; Q850-T853 WeakPolarHBondContact O-CA 3.47Å; Q850-T853 WeakPolarHBondContact O-CB 3.28Å; Q850-T853 PolarHBondContact O-N 2.94Å; Q850-D854 PolarHBondContact NE2-OD1 3.34Å; Q850-D854 PolarHBondContact O-N 3.44Å
851N57.2Low57.6Low94 Ų94102.9 Ų102.950%0.50354%0.539SS..Hα-helixtrans-59-34.5178.2-83-74.1000113.3E847 Q855E847-N851 WeakPolarHBondContact O-CB 3.47Å; E847-N851 PolarHBondContact O-N 3.01Å; E847-N851 VanDerWaalsContact O-N 3.12Å; E847-N851 PolarHBondContact O-ND2 3.41Å; N851-Q855 PolarHBondContact O-N 3.24Å
852I54.2Low55.5Low86 Ų86107.4 Ų107.444%0.44156%0.561SS.*Hα-helixtrans-70.6-35.3174.2-67.8165.1000111.1I848 L849 Q850 N856I848-I852 HydrophobicContact CG2-CD1 3.86Å; I848-I852 WeakPolarHBondContact O-CD1 3.34Å; I848-I852 VanDerWaalsContact O-CG1 3.27Å; I848-I852 WeakPolarHBondContact O-CG1 3.34Å; I848-I852 PolarHBondContact O-N 2.92Å; I848-I852 VanDerWaalsContact O-N 3.15Å; L849-I852 PolarHBondContact O-N 2.99Å; Q850-I852 VanDerWaalsContact C-N 3.27Å; Q850-I852 PolarHBondContact O-N 3.24Å; I852-N856 PolarHBondContact O-ND2 3.3Å
853T52.2Low53.5Low65 Ų65111.5 Ų111.540%0.39958%0.578SS.*Hα-helixtrans-70.3-46179.6-55.60000111.1L849 Q850 Q855 N856 I857L849-T853 PolarHBondContact O-N 3.04Å; L849-T853 VanDerWaalsContact O-N 3.08Å; L849-T853 PolarHBondContact O-OG1 3.07Å; Q850-T853 WeakPolarHBondContact O-CA 3.47Å; Q850-T853 WeakPolarHBondContact O-CB 3.28Å; Q850-T853 PolarHBondContact O-N 2.94Å; T853-Q855 VanDerWaalsContact C-N 3.34Å; T853-Q855 PolarHBondContact O-N 3.46Å; T853-N856 PolarHBondContact O-N 2.96Å; T853-I857 HydrophobicContact CG2-CD1 3.88Å; T853-I857 PolarHBondContact O-N 3.33Å
854D44.4Very low51.2Low81 Ų81114.1 Ų114.143%0.43359%0.587SS.*Hα-helixtrans-64-36.8-178.4-62.2-21.5000112.3Q850 N856 I857 S858Q850-D854 PolarHBondContact NE2-OD1 3.34Å; Q850-D854 PolarHBondContact O-N 3.44Å; D854-N856 VanDerWaalsContact C-N 3.26Å; D854-N856 PolarHBondContact O-N 3.46Å; D854-I857 PolarHBondContact O-N 3.29Å; D854-S858 PolarHBondContact O-N 2.99Å
855Q42.9Very low48.7Very low157 Ų157119.8 Ų119.873%0.73461%0.609SS**Hα-helixtrans-63.1-29.4173.1-79.4-164.13.600113.5N851 T853 S858N851-Q855 PolarHBondContact O-N 3.24Å; T853-Q855 VanDerWaalsContact C-N 3.34Å; T853-Q855 PolarHBondContact O-N 3.46Å; Q855-S858 PolarHBondContact O-OG 2.98Å; Q855-S858 VanDerWaalsContact O-OG 3.13Å
856N41.3Very low46.1Very low113 Ų113123.4 Ų123.460%0.60463%0.626SS**Hα-helixtrans-85-21.1-180-75.7-70.5000114I852 T853 D854I852-N856 PolarHBondContact O-ND2 3.3Å; T853-N856 PolarHBondContact O-N 2.96Å; D854-N856 VanDerWaalsContact C-N 3.26Å; D854-N856 PolarHBondContact O-N 3.46Å
857I42.1Very low43.8Very low112 Ų112126.1 Ų126.157%0.57464%0.638SS**Hα-helixtrans-89.9-18.7-180-61.7174.5000112.3T853 D854 K859T853-I857 HydrophobicContact CG2-CD1 3.88Å; T853-I857 PolarHBondContact O-N 3.33Å; D854-I857 PolarHBondContact O-N 3.29Å; I857-K859 PolarHBondContact O-N 3.04Å
858S32.2Very low41.6Very low92 Ų92126.1 Ų126.164%0.64365%0.647SS**  trans-67.219.717966.70000116.9D854 Q855D854-S858 PolarHBondContact O-N 2.99Å; Q855-S858 PolarHBondContact O-OG 2.98Å; Q855-S858 VanDerWaalsContact O-OG 3.13Å
859K33.6Very low39.3Very low192 Ų192127.6 Ų127.684%0.83566%0.656SS**  trans-117.653.8170.4-75.7-172.9175.1-179.80112.1I857 T861I857-K859 PolarHBondContact O-N 3.04Å; K859-T861 PolarHBondContact O-N 3.45Å
860T28.5Very low37.2Very low110 Ų110132.7 Ų132.768%0.67568%0.678SS**  trans-76.395.1163.546.60000110.3D862T860-D862 PolarHBondContact O-N 2.93Å
861T30.6Very low35.2Very low109 Ų109134.7 Ų134.767%0.66969%0.692SS**  trans40.573.6130.7-35.10000118.1K859 E863K859-T861 PolarHBondContact O-N 3.45Å; T861-E863 HydrophobicContact CG2-CB 3.91Å; T861-E863 HydrophobicContact CG2-CG 3.84Å; T861-E863 PolarHBondContact O-N 3.19Å; T861-E863 VanDerWaalsContact O-N 3.08Å
862D28.7Very low33.6Very low170 Ų170139.4 Ų139.491%0.90971%0.711SS**  trans-77.160.5152.7-74.6-42.3000109.8T860T860-D862 PolarHBondContact O-N 2.93Å
863E34.1Very low32.3Very low162 Ų162140 Ų14076%0.75773%0.729SS**  trans-83.7126.4164.8-77.6-166.2164.700109.4T861 F865T861-E863 HydrophobicContact CG2-CB 3.91Å; T861-E863 HydrophobicContact CG2-CG 3.84Å; T861-E863 PolarHBondContact O-N 3.19Å; T861-E863 VanDerWaalsContact O-N 3.08Å; E863-F865 PolarHBondContact O-N 3.45Å
864Q29.5Very low30.9Very low176 Ų176146.4 Ų146.482%0.82275%0.751SS**  trans-62.4121-174.1-67.4173.8-61.100110.8M866Q864-M866 VanDerWaalsContact C-N 3.3Å; Q864-M866 PolarHBondContact O-N 2.9Å
865F26.2Very low30.1Very low205 Ų205149 Ų14990%0.89977%0.77SS**  trans-59.793.7160.3-99.9-104.1000109.1E863 E867E863-F865 PolarHBondContact O-N 3.45Å; F865-E867 VanDerWaalsContact C-N 3.31Å; F865-E867 PolarHBondContact O-N 3.34Å
866M27.7Very low29.4Very low152 Ų152147.6 Ų147.675%0.74977%0.772SS**  trans-81.587.1162.4-71.5-65.7-73.500107.7Q864 T868Q864-M866 VanDerWaalsContact C-N 3.3Å; Q864-M866 PolarHBondContact O-N 2.9Å; M866-T868 PolarHBondContact O-N 3.47Å; M866-T868 PolarHBondContact O-OG1 3.32Å; M866-T868 VanDerWaalsContact O-OG1 3.05Å
867E26.3Very low28.4Very low181 Ų181150.3 Ų150.385%0.84678%0.778SS**  trans-51.194.9173.8-171.6170.3-155.900110.3F865 D869F865-E867 VanDerWaalsContact C-N 3.31Å; F865-E867 PolarHBondContact O-N 3.34Å; E867-D869 PolarHBondContact O-N 3.2Å
868T28.8Very low27.6Very low124 Ų124152.1 Ų152.176%0.76178%0.784SS**  trans-96.387.1-179.6-56.10000108.2M866 Q870M866-T868 PolarHBondContact O-N 3.47Å; M866-T868 PolarHBondContact O-OG1 3.32Å; M866-T868 VanDerWaalsContact O-OG1 3.05Å; T868-Q870 PolarHBondContact O-N 3.39Å; T868-Q870 VanDerWaalsContact O-N 3.11Å
869D25.3Very low27.2Very low126 Ų126156.5 Ų156.567%0.67479%0.794SS**  trans-7295.8-178.2-167.95.1000110.9E867 N871E867-D869 PolarHBondContact O-N 3.2Å; D869-N871 PolarHBondContact OD1-ND2 2.91Å
870Q29.2Very low26.5Very low177 Ų177155.6 Ų155.683%0.82780%0.795SS**  trans-127.192.2167.1-80.8-154.6-23.700112.2T868 E872T868-Q870 PolarHBondContact O-N 3.39Å; T868-Q870 VanDerWaalsContact O-N 3.11Å; Q870-E872 PolarHBondContact O-N 3.08Å; Q870-E872 VanDerWaalsContact O-N 3.1Å
871N23.5Very low26.4Very low145 Ų145158.9 Ų158.978%0.77580%0.803SS**  trans-68.983.9164.3-78.6-84.5000111.7D869D869-N871 PolarHBondContact OD1-ND2 2.91Å
872E25.2Very low26Very low193 Ų193159 Ų15990%0.90281%0.808SS**  trans-157.381.5165-131.4168.8-155.600116.1Q870Q870-E872 PolarHBondContact O-N 3.08Å; Q870-E872 VanDerWaalsContact O-N 3.1Å
873A25.7Very low26Very low99 Ų99159.1 Ų159.182%0.81881%0.808SS**  trans-171.192.3149.300000111.2
874K24.1Very low25.3Very low199 Ų199155 Ų15587%0.86581%0.809SS**  trans-78.4174.1157.8-72.8172.5178.8167.80109.1
875T27.2Very low25.2Very low136 Ų136155 Ų15583%0.83481%0.814SS**  trans78.3128.6-177.2-18.10000111
876V28Very low24.9Very low126 Ų126153.9 Ų153.976%0.76481%0.813SS**  cis-129.8145.516.7173.20000110.8
877K20.8Very low24.7Very low170 Ų170151.5 Ų151.574%0.73981%0.812SS**  trans-104.2157.6170.1-170.9-176.2-177-175.40108.2
878H23.9Very low24.4Very low150 Ų150148.9 Ų148.969%0.69481%0.808SS**  trans76.3133-176-49.2-90.7000112.1
879Q24.5Very low24.3Very low185 Ų185149.5 Ų149.586%0.86481%0.812SS**  cis-159.2137.237.7-131.3152.3-600110.6
880M19.1Very low24.3Very low173 Ų173152 Ų15285%0.85282%0.82SS**  trans-76.4126.4152.4-78.515952.800106.9
881E25.8Very low24Very low178 Ų178150.1 Ų150.183%0.83282%0.82SS**  trans171.2122.5136.7-96.3161.7-16100112.9
882S22.3Very low24.2Very low112 Ų112151 Ų15178%0.78382%0.82SS**  trans38.686.4131.8-179.20000119.2
883L28.5Very low24.1Very low172 Ų172146.7 Ų146.790%0.90181%0.811SS**  trans-133.5110.2144-80.2177.9000110
884G20.4Very low24Very low77 Ų77147.8 Ų147.879%0.79481%0.813SS**  trans-77.3125.5173.800000111
885L26.7Very low24.1Very low174 Ų174144 Ų14491%0.91181%0.805SS**  trans-114102.4161.7-73.2175.5000108.6
886M19.5Very low23.9Very low182 Ų182145.1 Ų145.190%0.89781%0.806SS**  trans-67.5128.7161-69.4165.953.500108.9
887S22.9Very low23.7Very low102 Ų102143.9 Ų143.971%0.71380%0.803SS**  175.6119.1121.545.50000112.8
888T21.9Very low23.8Very low126 Ų126143.7 Ų143.777%0.77381%0.809SS**  trans4399.9137.861.80000119
889T26Very low23.8Very low137 Ų137143.4 Ų143.484%0.8481%0.813SS**  -163.273.9129.610.30000109.4V891T889-V891 PolarHBondContact O-N 3Å
890E24.5Very low23.9Very low179 Ų179139.8 Ų139.884%0.83681%0.808SS**  trans-69.4110.4166.8-72.3170.2152.800108.6
891V24.4Very low24.1Very low138 Ų138137 Ų13784%0.83681%0.805SS**  trans-105.982.5165.6-178.20000106.5T889T889-V891 PolarHBondContact O-N 3Å
892E26.3Very low24Very low164 Ų164136.4 Ų136.477%0.76681%0.806SS**  trans-66.3136.7-179.1-70.7-164.8128.900111.9S894E892-S894 PolarHBondContact O-N 3.07Å
893S23.7Very low24.1Very low102 Ų102135.9 Ų135.971%0.71380%0.803SS**  trans-61.4115.117551.10000111.2V895S893-V895 VanDerWaalsContact C-N 3.29Å; S893-V895 PolarHBondContact O-N 3.32Å
894S23Very low23.8Very low122 Ų122134.2 Ų134.285%0.85380%0.8SS**  trans-69.481.4173.7-550000111.7E892 L896E892-S894 PolarHBondContact O-N 3.07Å; S894-L896 PolarHBondContact O-N 3.32Å
895V25.8Very low24Very low118 Ų118135.2 Ų135.272%0.71580%0.801SS**  trans-71.9115.6168.6179.30000108.3S893 S897S893-V895 VanDerWaalsContact C-N 3.29Å; S893-V895 PolarHBondContact O-N 3.32Å; V895-S897 PolarHBondContact O-N 3.04Å
896L24.2Very low23.8Very low161 Ų161132.5 Ų132.584%0.84380%0.796SS**  trans-5996.1-177.9-76.8158.9000111.6S894 L898S894-L896 PolarHBondContact O-N 3.32Å; L896-L898 PolarHBondContact O-N 3.49Å
897S23.9Very low24Very low100 Ų100132.8 Ų132.870%0.69980%0.796SS**  trans-75.290.7170.3-64.40000109.3V895 N899V895-S897 PolarHBondContact O-N 3.04Å; S897-N899 VanDerWaalsContact C-N 3.31Å; S897-N899 PolarHBondContact O-N 3.42Å
898L22.9Very low24.1Very low166 Ų166132.1 Ų132.187%0.86980%0.796SS**  trans-71.589.6169.2-81.2168.3000109.3L896 S900L896-L898 PolarHBondContact O-N 3.49Å; L898-S900 PolarHBondContact O-N 3.05Å
899N24.6Very low24.1Very low144 Ų144130.7 Ų130.777%0.7779%0.791SS**  trans-58.8100.9170.1-74.3-22.7000109.8S897 S901S897-N899 VanDerWaalsContact C-N 3.31Å; S897-N899 PolarHBondContact O-N 3.42Å; N899-S901 PolarHBondContact O-N 3.17Å
900S25.3Very low24Very low109 Ų109133.2 Ų133.276%0.76279%0.791SS**  trans-72.994.416856.20000109.1L898 L902L898-S900 PolarHBondContact O-N 3.05Å; S900-L902 PolarHBondContact O-N 3.27Å
901S24.4Very low23.9Very low113 Ų113130 Ų13079%0.7979%0.788SS**  trans-64.980.3172.7-56.20000111.1N899 S903N899-S901 PolarHBondContact O-N 3.17Å; S901-S903 PolarHBondContact O-N 3.17Å
902L23.2Very low24Very low166 Ų166131.3 Ų131.387%0.86979%0.789SS**  trans-90.497.6172.5-169.966000109S900 T904S900-L902 PolarHBondContact O-N 3.27Å; L902-T904 PolarHBondContact O-N 3.44Å; L902-T904 VanDerWaalsContact O-N 3.13Å
903S23.3Very low23.9Very low101 Ų101130.5 Ų130.571%0.70679%0.79SS**  trans-62.6112.4177.6-60.90000111.6S901 A905S901-S903 PolarHBondContact O-N 3.17Å; S903-A905 PolarHBondContact O-N 3.2Å; S903-A905 VanDerWaalsContact O-N 3.08Å
904T23.2Very low23.9Very low138 Ų138129.6 Ų129.685%0.84778%0.784SS**  trans14.184.4137.241.40000116.6L902L902-T904 PolarHBondContact O-N 3.44Å; L902-T904 VanDerWaalsContact O-N 3.13Å
905A23.6Very low23.9Very low98 Ų98131.1 Ų131.181%0.8178%0.782SS**  trans-78.2114148.200000107.3S903 E907S903-A905 PolarHBondContact O-N 3.2Å; S903-A905 VanDerWaalsContact O-N 3.08Å; A905-E907 PolarHBondContact O-N 2.94Å
906S24Very low23.6Very low116 Ų116133.5 Ų133.581%0.81179%0.787SS**  trans-61.9132.9-175.6-170.80000111.6
907E23.3Very low23.4Very low189 Ų189131.8 Ų131.888%0.88378%0.784SS**  trans-62.8135.9166.4-62.7178.1141.200109.9A905A905-E907 PolarHBondContact O-N 2.94Å
908A24.5Very low23.4Very low88 Ų88132.6 Ų132.673%0.72779%0.785SS**  trans-146.584.9168.100000110.6
909S22.3Very low23.4Very low95 Ų95130.4 Ų130.466%0.66478%0.778SS**  trans79.8143.7143.168.40000122.1
910F24.2Very low23.3Very low191 Ų191131.3 Ų131.384%0.83878%0.783SS**  trans79.975.7164.3-52.2-62.1000119.2
911S21.6Very low23.3Very low112 Ų112129.6 Ų129.678%0.78378%0.783SS**  trans-60.8135.4145.252.80000112.1
912L26.7Very low23.2Very low164 Ų164130.3 Ų130.386%0.85978%0.783SS**  trans-149.4101.5153.9-133.5124.5000113
913L24.1Very low23.4Very low148 Ų148130.4 Ų130.478%0.77578%0.783SS**  trans44.297.4140.8-130.564.1000119.5
914S23.4Very low23.3Very low83 Ų83131 Ų13158%0.5878%0.783SS**  2125.5119.360.10000118.9
915N23.3Very low23.7Very low153 Ų153132.1 Ų132.182%0.81878%0.784SS**  164.7140.3113.7-85.2-20.3000111.8
916M19.4Very low23.6Very low168 Ų168133.3 Ų133.383%0.82878%0.781SS**  trans-69.3172.6168.6-79.4160.543.500111.9
917T20.5Very low23.6Very low125 Ų125135.7 Ų135.777%0.76778%0.784SS**  trans77.3128.4177.171.70000113.3
918T23.6Very low23.6Very low118 Ų118131.8 Ų131.872%0.72477%0.773SS**  cis-158.3158.618.3-12.20000112.4
919T22.5Very low23.5Very low120 Ų120137.2 Ų137.274%0.73678%0.78SS**  trans53.6115.2151.552.40000122.4
920N22.7Very low23.7Very low162 Ų162139 Ų13987%0.86679%0.787SS**  trans3791.2134.6-64.5-1.5000119.4
921G25.5Very low23.8Very low74 Ų74135.9 Ų135.976%0.76378%0.784SS**  trans-123.199158.300000110.7L923G921-L923 PolarHBondContact O-N 2.81Å
922T22Very low24Very low128 Ų128135.9 Ų135.979%0.78578%0.784SS**  trans-84.698.3176.1-48.30000108.9
923L27.8Very low23.9Very low167 Ų167134.5 Ų134.587%0.87478%0.782SS**  trans-115.490.5168.3-74.4176.3000109.8G921G921-L923 PolarHBondContact O-N 2.81Å
924T22Very low24.1Very low114 Ų114136.2 Ų136.270%0.69979%0.788SS**  trans-63.6125.5148.346.80000108.1
925D29.9Very low24.1Very low162 Ų162141.2 Ų141.287%0.86680%0.803SS**  trans-162.4152.7140.2-103-27.9000113.2
926T23.3Very low24Very low123 Ų123142 Ų14276%0.75580%0.803SS**  trans-112.1116.8-169.1-62.10000110.5
927L24Very low24.2Very low165 Ų165138.5 Ų138.586%0.86480%0.795SS**  trans-134.994.7169.8-77.7168.9000108.7
928V23.2Very low24.4Very low108 Ų108138.6 Ų138.666%0.65580%0.798SS**  72.8106.585.2174.60000112.2T930V928-T930 PolarHBondContact O-N 3.05Å
929F22Very low24.6Very low201 Ų201140.6 Ų140.688%0.88280%0.803SS**  trans-66.9120171.8-81.5-105.7000110.9T931F929-T931 PolarHBondContact O-N 3.44Å
930T26.5Very low24.6Very low132 Ų132140.8 Ų140.881%0.8180%0.804SS**  trans-86.8105.3166.549.90000110.6V928 S932V928-T930 PolarHBondContact O-N 3.05Å; T930-S932 PolarHBondContact O-N 2.97Å
931T25.4Very low24.6Very low126 Ų126139.6 Ų139.677%0.77380%0.802SS**  trans-76.299.2171.450.20000110.8F929 V933F929-T931 PolarHBondContact O-N 3.44Å; T931-V933 PolarHBondContact O-N 3.1Å
932S27.3Very low24.6Very low112 Ų112142 Ų14278%0.78380%0.802SS**  trans-84.1102.6167.253.60000110.4T930 M934T930-S932 PolarHBondContact O-N 2.97Å; S932-M934 PolarHBondContact O-N 3.1Å
933V23Very low24.7Very low135 Ų135144.7 Ų144.782%0.81881%0.806SS**  trans-73.7103.5173.1-1780000108.4T931T931-V933 PolarHBondContact O-N 3.1Å
934M28.4Very low24.6Very low185 Ų185142.2 Ų142.291%0.91180%0.803SS**PPolyproline II helixtrans-100126.8165.5-103.8-171.2164.400110.9S932S932-M934 PolarHBondContact O-N 3.1Å
935Q24.1Very low24.8Very low188 Ų188142.6 Ų142.688%0.87981%0.805SS**PPolyproline II helixtrans-79.7138.2-161.9-163.6169.90.100111.5
936M20.7Very low24.7Very low169 Ų169142.3 Ų142.383%0.83380%0.804SS**PPolyproline II helixtrans-75.1126.4-176.9-73.3-101.360.900112.4
937S25Very low24.9Very low94 Ų94144.2 Ų144.266%0.65781%0.808SS**PPolyproline II helixtrans-96.2124.9159.2-68.40000109.5I939S937-I939 PolarHBondContact O-N 3.49Å
938P23.2Very low25.1Very low127 Ų127143.7 Ų143.783%0.82580%0.804SS**  trans-77.6111.3178.930.1-32.2000110.5
939I28.3Very low25.3Very low161 Ų161145.7 Ų145.783%0.82681%0.812SS**PPolyproline II helixtrans-102.6132170.2-61.9179.7000109S937S937-I939 PolarHBondContact O-N 3.49Å
940T22.7Very low26Very low123 Ų123141.6 Ų141.676%0.75580%0.803SS**PPolyproline II helixtrans-63.9141.5-169.9-210000112.8T942T940-T942 PolarHBondContact O-N 3.03Å
941T21.8Very low26.3Very low137 Ų137139.5 Ų139.584%0.8479%0.794SS**PPolyproline II helixtrans-57.7121.9174.3330000113.1
942T26.3Very low26.7Very low124 Ų124140.2 Ų140.276%0.76179%0.792SS**  trans-125.7134.9159.7-48.60000108.7T940 S944T940-T942 PolarHBondContact O-N 3.03Å; T942-S944 PolarHBondContact O-N 2.94Å
943H24.8Very low27.1Very low185 Ų185139 Ų13986%0.85678%0.783SS**  trans-56.1117.4-163.9-66.6-95.6000115.2
944S24.1Very low27.8Very low116 Ų116138 Ų13881%0.81177%0.773SS**  trans-111.779.8174.148.50000111.9T942T942-S944 PolarHBondContact O-N 2.94Å
945T26Very low28.4Very low121 Ų121135 Ų13574%0.74276%0.761SS**  trans-122.462.1172.355.60000111.3
946N28.5Very low29.2Very low157 Ų157129.9 Ų129.984%0.8475%0.746SS**  trans-16788168.4-94-30.1000110.1
947L27.9Very low30.2Very low163 Ų163126.7 Ų126.785%0.85373%0.732SS**SBendtrans-165.6-11.4155.4-134.475.2000116.7
948I27.2Very low31.3Very low153 Ų153126.4 Ų126.479%0.78573%0.726SS**SBendtrans-89.5-14.6-170.8-64.7177.7000114.3T950I948-T950 PolarHBondContact O-N 2.91Å
949N29.1Very low32.8Very low151 Ų151125 Ų12581%0.80771%0.714SS**THydrogen-bonded Turntrans-86.95.2-168.4-91.93.8000117.2
950T35.8Very low34Very low115 Ų115122.1 Ų122.171%0.70670%0.701SS**THydrogen-bonded Turntrans-106.3-15-172.843.20000116.3I948I948-T950 PolarHBondContact O-N 2.91Å
951S32.6Very low35.9Very low87 Ų87120.5 Ų120.561%0.60869%0.687SS**SBendtrans-87.2-26.7-178.3600000114.7
952L33.8Very low37.8Very low141 Ų141119 Ų11974%0.73867%0.67SS**Hα-helixtrans-83.9-22.3-171.1-131.874.4000115S956L952-S956 PolarHBondContact O-OG 3.33Å
953C35.5Very low39.4Very low88 Ų88118.5 Ų118.560%0.59566%0.663SS**Hα-helixtrans-76.6-31-175.9-77.80000114.2L957C953-L957 PolarHBondContact O-N 3.46Å
954N38.9Very low41.2Very low114 Ų114115.3 Ų115.361%0.6165%0.649SS**Hα-helixtrans-72.8-39.4-171.3-73.3-6.2000113.3S956 L957 T958N954-S956 VanDerWaalsContact C-N 3.34Å; N954-S956 PolarHBondContact O-N 2.82Å; N954-L957 PolarHBondContact O-N 3.07Å; N954-T958 PolarHBondContact O-N 3.13Å; N954-T958 PolarHBondContact O-OG1 3.22Å
955N39.2Very low42.8Very low121 Ų121113.2 Ų113.265%0.64764%0.635SS**Hα-helixtrans-69.2-32.6178.8-69-2.8000112.2L957 T958 V959N955-L957 VanDerWaalsContact C-N 3.34Å; N955-L957 PolarHBondContact O-N 2.97Å; N955-T958 PolarHBondContact O-OG1 2.96Å; N955-V959 WeakPolarHBondContact O-CG2 3.47Å; N955-V959 PolarHBondContact O-N 3.46Å
956S41.4Very low44.3Very low81 Ų81113.2 Ų113.257%0.56663%0.625SS**Hα-helixtrans-67.2-36.2178.9-57.40000112L952 N954 L960L952-S956 PolarHBondContact O-OG 3.33Å; N954-S956 VanDerWaalsContact C-N 3.34Å; N954-S956 PolarHBondContact O-N 2.82Å; S956-L960 PolarHBondContact O-N 2.89Å
957L42.8Very low45.3Very low102 Ų102109.4 Ų109.453%0.53461%0.607SS.*Hα-helixtrans-75.5-34.4-177.9-167.666.1000112.7C953 N954 N955 L960 N961C953-L957 PolarHBondContact O-N 3.46Å; N954-L957 PolarHBondContact O-N 3.07Å; N955-L957 VanDerWaalsContact C-N 3.34Å; N955-L957 PolarHBondContact O-N 2.97Å; L957-L960 PolarHBondContact O-N 3.29Å; L957-N961 PolarHBondContact O-N 2.95Å; L957-N961 VanDerWaalsContact O-N 3.09Å
958T48.3Very low46.5Very low88 Ų88106.8 Ų106.854%0.5459%0.594SS.*Hα-helixtrans-65.1-46.5175.612.90000111.4N954 N955 L960 N961 E962N954-T958 PolarHBondContact O-N 3.13Å; N954-T958 PolarHBondContact O-OG1 3.22Å; N955-T958 PolarHBondContact O-OG1 2.96Å; T958-L960 VanDerWaalsContact C-N 3.3Å; T958-L960 PolarHBondContact O-N 3.08Å; T958-N961 PolarHBondContact O-N 3.09Å; T958-E962 PolarHBondContact O-N 3.33Å
959V53.4Low48Very low96 Ų96106.4 Ų106.458%0.58259%0.589SS**Hα-helixtrans-59-41.2176.2175.10000111.5N955 E962 L963N955-V959 WeakPolarHBondContact O-CG2 3.47Å; N955-V959 PolarHBondContact O-N 3.46Å; V959-E962 PolarHBondContact O-N 2.98Å; V959-L963 WeakPolarHBondContact O-CB 3.41Å; V959-L963 PolarHBondContact O-N 2.94Å
960L54.4Low49.4Very low102 Ų102106 Ų10653%0.53458%0.58SS.*Hα-helixtrans-64.3-42.7178.2-15686.9000112.4S956 L957 T958 L963 M964S956-L960 PolarHBondContact O-N 2.89Å; L957-L960 PolarHBondContact O-N 3.29Å; T958-L960 VanDerWaalsContact C-N 3.3Å; T958-L960 PolarHBondContact O-N 3.08Å; L960-L963 PolarHBondContact O-N 3.29Å; L960-M964 WeakPolarHBondContact O-CB 3.4Å; L960-M964 WeakPolarHBondContact O-CG 3.48Å; L960-M964 PolarHBondContact O-N 2.99Å
961N62.5Low50.3Low89 Ų89105 Ų10548%0.47657%0.57SS.*Hα-helixtrans-66.9-37.2177.4-78.4-17.2000112.4L957 T958 M964 S965L957-N961 PolarHBondContact O-N 2.95Å; L957-N961 VanDerWaalsContact O-N 3.09Å; T958-N961 PolarHBondContact O-N 3.09Å; N961-M964 PolarHBondContact O-N 3.39Å; N961-S965 WeakPolarHBondContact O-CB 3.33Å; N961-S965 PolarHBondContact O-N 3.38Å; N961-S965 PolarHBondContact O-OG 3.44Å
962E60.9Low51.4Low104 Ų104107.2 Ų107.249%0.48657%0.571SS.*Hα-helixtrans-67.6-40.9176.4-154.8-166146.300111.3T958 V959 S965 K966T958-E962 PolarHBondContact O-N 3.33Å; V959-E962 PolarHBondContact O-N 2.98Å; E962-S965 PolarHBondContact O-N 3.15Å; E962-K966 WeakPolarHBondContact O-CG 3.42Å; E962-K966 PolarHBondContact O-N 3.31Å; E962-K966 WeakPolarHBondContact OE1-CE 3.46Å; E962-K966 IonicContact OE1-NZ 2.68Å; E962-K966 PolarHBondContact OE1-NZ 3.11Å
963L60.6Low52.9Low114 Ų114103.7 Ų103.760%0.59756%0.557SS**Hα-helixtrans-63.2-43.9175-157.485.4000111.9V959 L960 K966 T967V959-L963 WeakPolarHBondContact O-CB 3.41Å; V959-L963 PolarHBondContact O-N 2.94Å; L960-L963 PolarHBondContact O-N 3.29Å; L963-K966 PolarHBondContact O-N 3.47Å; L963-T967 WeakPolarHBondContact O-CB 3.39Å; L963-T967 PolarHBondContact O-N 2.77Å; L963-T967 PolarHBondContact O-OG1 3.09Å
964M62.1Low53.7Low118 Ų118101.7 Ų101.758%0.58154%0.543SS*.Hα-helixtrans-62-42.5175.4-73.1-98.6-79.800111.7L960 N961 T967 L968L960-M964 WeakPolarHBondContact O-CB 3.4Å; L960-M964 WeakPolarHBondContact O-CG 3.48Å; L960-M964 PolarHBondContact O-N 2.99Å; N961-M964 PolarHBondContact O-N 3.39Å; M964-T967 PolarHBondContact O-N 2.99Å; M964-L968 PolarHBondContact O-N 3.06Å
965S57.8Low54.9Low73 Ų73103 Ų10351%0.5154%0.543SS..Hα-helixtrans-64.2-46.5178.3-58.20000112N961 E962 T967 L968 Q969N961-S965 WeakPolarHBondContact O-CB 3.33Å; N961-S965 PolarHBondContact O-N 3.38Å; N961-S965 PolarHBondContact O-OG 3.44Å; E962-S965 PolarHBondContact O-N 3.15Å; S965-T967 VanDerWaalsContact C-N 3.3Å; S965-T967 PolarHBondContact O-N 3.3Å; S965-L968 PolarHBondContact O-N 2.96Å; S965-Q969 PolarHBondContact O-N 3.4Å
966K58.3Low56.1Low120 Ų120100.3 Ų100.352%0.52253%0.534SS..Hα-helixtrans-60.5-38.8174.3-74.3168.6173.3169.80111.9E962 L963 Q969 F970E962-K966 WeakPolarHBondContact O-CG 3.42Å; E962-K966 PolarHBondContact O-N 3.31Å; E962-K966 WeakPolarHBondContact OE1-CE 3.46Å; E962-K966 IonicContact OE1-NZ 2.68Å; E962-K966 PolarHBondContact OE1-NZ 3.11Å; L963-K966 PolarHBondContact O-N 3.47Å; K966-Q969 PolarHBondContact O-N 3.24Å; K966-F970 PolarHBondContact O-N 3.39Å
967T49Very low57.4Low78 Ų78100.3 Ų100.348%0.47953%0.526SS..Hα-helixtrans-65.6-40.5177-55.40000112.1L963 M964 S965 N971L963-T967 WeakPolarHBondContact O-CB 3.39Å; L963-T967 PolarHBondContact O-N 2.77Å; L963-T967 PolarHBondContact O-OG1 3.09Å; M964-T967 PolarHBondContact O-N 2.99Å; S965-T967 VanDerWaalsContact C-N 3.3Å; S965-T967 PolarHBondContact O-N 3.3Å; T967-N971 PolarHBondContact O-N 3.15Å; T967-N971 PolarHBondContact O-ND2 2.88Å
968L53.1Low58.9Low108 Ų10899.9 Ų99.957%0.56552%0.524SS*.Hα-helixtrans-64.2-43.4174-82.8162.6000111.9M964 S965 F970 N971 H972M964-L968 PolarHBondContact O-N 3.06Å; S965-L968 PolarHBondContact O-N 2.96Å; L968-F970 PolarHBondContact O-N 3.14Å; L968-N971 PolarHBondContact O-N 3.35Å; L968-H972 PolarHBondContact O-CD2 3.15Å; L968-H972 VanDerWaalsContact O-CD2 3.25Å; L968-H972 PolarHBondContact O-N 3.25Å; L968-H972 VanDerWaalsContact O-N 3.1Å
969Q59.5Low59.6Low145 Ų145100 Ų10068%0.67852%0.521SS*.Hα-helixtrans-62.8-40.8179.8-154.1174.427.100112.1S965 K966 N971 H972 S973S965-Q969 PolarHBondContact O-N 3.4Å; K966-Q969 PolarHBondContact O-N 3.24Å; Q969-N971 PolarHBondContact O-N 3.48Å; Q969-H972 PolarHBondContact O-N 3.01Å; Q969-S973 PolarHBondContact O-N 3.18Å
970F57.6Low60.6Low143 Ų143101.8 Ų101.863%0.62752%0.521SS*.Hα-helixtrans-61.2-42.1174.4-174-96.4000112.8K966 L968 H972 S973 T974K966-F970 PolarHBondContact O-N 3.39Å; L968-F970 PolarHBondContact O-N 3.14Å; F970-H972 PolarHBondContact O-N 3.25Å; F970-S973 PolarHBondContact O-N 3.38Å; F970-T974 HydrophobicContact CD1-CG2 4.38Å; F970-T974 HydrophobicContact CE1-CG2 3.89Å; F970-T974 HydrophobicContact CZ-CG2 4.05Å; F970-T974 PolarHBondContact O-N 2.88Å; F970-T974 PolarHBondContact O-OG1 2.97Å
971N53.7Low61.7Low92 Ų92101.1 Ų101.149%0.49252%0.517SS..Hα-helixtrans-64.8-36.9176.7-80.1-72.8000112.6T967 L968 Q969 T974 K975T967-N971 PolarHBondContact O-N 3.15Å; T967-N971 PolarHBondContact O-ND2 2.88Å; L968-N971 PolarHBondContact O-N 3.35Å; Q969-N971 PolarHBondContact O-N 3.48Å; N971-T974 WeakPolarHBondContact CA-OG1 3.49Å; N971-T974 PolarHBondContact O-OG1 3.13Å; N971-T974 VanDerWaalsContact O-OG1 3.08Å; N971-K975 WeakPolarHBondContact O-CB 3.34Å; N971-K975 PolarHBondContact O-N 3.31Å
972H57.6Low62.1Low135 Ų135100.6 Ų100.663%0.62551%0.514SS*.Hα-helixtrans-67.4-41.3173.9-78.6-68.7000112.3L968 Q969 F970 K975 S976L968-H972 PolarHBondContact O-CD2 3.15Å; L968-H972 VanDerWaalsContact O-CD2 3.25Å; L968-H972 PolarHBondContact O-N 3.25Å; L968-H972 VanDerWaalsContact O-N 3.1Å; Q969-H972 PolarHBondContact O-N 3.01Å; F970-H972 PolarHBondContact O-N 3.25Å; H972-K975 PolarHBondContact O-N 3.49Å; H972-S976 PolarHBondContact O-N 2.93Å
973S63.4Low62.5Low66 Ų66103.4 Ų103.446%0.46253%0.525SS..Hα-helixtrans-62.5-49.9177.3-172.60000112Q969 F970 K975 S976 I977Q969-S973 PolarHBondContact O-N 3.18Å; F970-S973 PolarHBondContact O-N 3.38Å; S973-K975 VanDerWaalsContact C-N 3.32Å; S973-K975 PolarHBondContact O-N 3.02Å; S973-S976 WeakPolarHBondContact O-CB 3.42Å; S973-S976 PolarHBondContact O-N 3.46Å; S973-S976 VanDerWaalsContact O-N 3.07Å; S973-I977 WeakPolarHBondContact O-CG1 3.31Å; S973-I977 PolarHBondContact O-N 3.25Å
974T52.9Low62.7Low47 Ų47100.7 Ų100.729%0.28852%0.515SS..Hα-helixtrans-58.8-40.1176.940.90000112.7F970 N971 S976 I977 I978F970-T974 HydrophobicContact CD1-CG2 4.38Å; F970-T974 HydrophobicContact CE1-CG2 3.89Å; F970-T974 HydrophobicContact CZ-CG2 4.05Å; F970-T974 PolarHBondContact O-N 2.88Å; F970-T974 PolarHBondContact O-OG1 2.97Å; N971-T974 WeakPolarHBondContact CA-OG1 3.49Å; N971-T974 PolarHBondContact O-OG1 3.13Å; N971-T974 VanDerWaalsContact O-OG1 3.08Å; T974-S976 VanDerWaalsContact C-N 3.34Å; T974-S976 PolarHBondContact O-N 3.26Å; T974-I977 PolarHBondContact O-N 3.43Å; T974-I978 WeakPolarHBondContact O-CG1 3.3Å; T974-I978 PolarHBondContact O-N 3.1Å
975K65.3Low63Low141 Ų14198.5 Ų98.561%0.61351%0.506SS*.Hα-helixtrans-66.7-33.4175.9-162.4173.7-174.4179.80113.1N971 H972 S973 N979N971-K975 WeakPolarHBondContact O-CB 3.34Å; N971-K975 PolarHBondContact O-N 3.31Å; H972-K975 PolarHBondContact O-N 3.49Å; S973-K975 VanDerWaalsContact C-N 3.32Å; S973-K975 PolarHBondContact O-N 3.02Å; K975-N979 WeakPolarHBondContact O-CB 3.38Å; K975-N979 PolarHBondContact O-N 3.29Å
976S63.6Low63.5Low64 Ų64100.4 Ų100.445%0.44851%0.509SS..Hα-helixtrans-66.4-44.2172.5-172.10000111.8H972 S973 T974 N979 K980H972-S976 PolarHBondContact O-N 2.93Å; S973-S976 WeakPolarHBondContact O-CB 3.42Å; S973-S976 PolarHBondContact O-N 3.46Å; S973-S976 VanDerWaalsContact O-N 3.07Å; T974-S976 VanDerWaalsContact C-N 3.34Å; T974-S976 PolarHBondContact O-N 3.26Å; S976-N979 PolarHBondContact O-N 3.23Å; S976-K980 PolarHBondContact O-N 3.48Å
977I69.6Low64Low81 Ų8198.7 Ų98.742%0.41551%0.505SS..Hα-helixtrans-63.2-46.6178.4-66.3165.7000111.1S973 T974 N979 K980 I981S973-I977 WeakPolarHBondContact O-CG1 3.31Å; S973-I977 PolarHBondContact O-N 3.25Å; T974-I977 PolarHBondContact O-N 3.43Å; I977-N979 PolarHBondContact O-N 3.13Å; I977-K980 WeakPolarHBondContact O-CB 3.43Å; I977-K980 PolarHBondContact O-N 2.79Å; I977-K980 VanDerWaalsContact O-N 3.1Å; I977-I981 HydrophobicContact CG2-CD1 3.84Å; I977-I981 HydrophobicContact CG2-CG1 4.48Å; I977-I981 WeakPolarHBondContact O-CG1 3.24Å; I977-I981 PolarHBondContact O-N 3.26Å
978I72.2Confident64.8Low93 Ų93100.4 Ų100.448%0.47751%0.508SS..Hα-helixtrans-58.1-48.2176.9-68164.1000110.6T974 K980 I981 D982T974-I978 WeakPolarHBondContact O-CG1 3.3Å; T974-I978 PolarHBondContact O-N 3.1Å; I978-K980 VanDerWaalsContact C-N 3.25Å; I978-K980 PolarHBondContact O-N 3.03Å; I978-I981 PolarHBondContact O-N 3.4Å; I978-I981 VanDerWaalsContact O-N 3.1Å; I978-D982 PolarHBondContact O-N 3.36Å
979N64.3Low65.4Low92 Ų92100.5 Ų100.549%0.49251%0.505SS..Hα-helixtrans-61-29.3176.8-78.3-6.1000113.8K975 S976 I977 K983K975-N979 WeakPolarHBondContact O-CB 3.38Å; K975-N979 PolarHBondContact O-N 3.29Å; S976-N979 PolarHBondContact O-N 3.23Å; I977-N979 PolarHBondContact O-N 3.13Å; N979-K983 WeakPolarHBondContact O-CG 3.38Å; N979-K983 PolarHBondContact O-N 2.99Å
980K75.1Confident66Low132 Ų13296.3 Ų96.357%0.57449%0.492SS*.Hα-helixtrans-73.2-42.7172.9-76.8-174.6176.3-173.90111.5S976 I977 I978 K983 S984S976-K980 PolarHBondContact O-N 3.48Å; I977-K980 WeakPolarHBondContact O-CB 3.43Å; I977-K980 PolarHBondContact O-N 2.79Å; I977-K980 VanDerWaalsContact O-N 3.1Å; I978-K980 VanDerWaalsContact C-N 3.25Å; I978-K980 PolarHBondContact O-N 3.03Å; K980-K983 PolarHBondContact O-N 3.45Å; K980-S984 PolarHBondContact O-N 3.26Å; K980-S984 VanDerWaalsContact O-N 3.07Å
981I76Confident66.8Low88 Ų8893.5 Ų93.545%0.45148%0.483SS..Hα-helixtrans-62.4-46.9178-68.1168000110.6I977 I978 K983 S984 I985I977-I981 HydrophobicContact CG2-CD1 3.84Å; I977-I981 HydrophobicContact CG2-CG1 4.48Å; I977-I981 WeakPolarHBondContact O-CG1 3.24Å; I977-I981 PolarHBondContact O-N 3.26Å; I978-I981 PolarHBondContact O-N 3.4Å; I978-I981 VanDerWaalsContact O-N 3.1Å; I981-K983 VanDerWaalsContact C-N 3.31Å; I981-K983 PolarHBondContact O-N 3.29Å; I981-S984 WeakPolarHBondContact O-CA 3.43Å; I981-S984 VanDerWaalsContact O-CB 3.28Å; I981-S984 WeakPolarHBondContact O-CB 3.25Å; I981-S984 PolarHBondContact O-N 2.98Å; I981-I985 HydrophobicContact CG2-CD1 3.78Å; I981-I985 HydrophobicContact CG2-CG1 4.42Å; I981-I985 WeakPolarHBondContact O-CG1 3.43Å; I981-I985 PolarHBondContact O-N 2.59Å
982D72.1Confident67.6Low79 Ų7993.4 Ų93.442%0.42248%0.482SS..Hα-helixtrans-59.9-40.4179.3-70.3-22.9000111.9I978 S984 I985 I986I978-D982 PolarHBondContact O-N 3.36Å; D982-S984 VanDerWaalsContact C-N 3.34Å; D982-S984 PolarHBondContact O-N 3.49Å; D982-I985 PolarHBondContact O-N 3.08Å; D982-I986 WeakPolarHBondContact O-CG1 3.46Å; D982-I986 PolarHBondContact O-N 3.46Å
983K68.2Low68.3Low162 Ų16291.8 Ų91.870%0.70448%0.477SS*.Hα-helixtrans-64.3-36.1173.5-75.2-177.9178.2-171.10112.9N979 K980 I981 N987N979-K983 WeakPolarHBondContact O-CG 3.38Å; N979-K983 PolarHBondContact O-N 2.99Å; K980-K983 PolarHBondContact O-N 3.45Å; I981-K983 VanDerWaalsContact C-N 3.31Å; I981-K983 PolarHBondContact O-N 3.29Å; K983-N987 PolarHBondContact O-N 3.45Å
984S64.4Low69.1Low57 Ų5795.4 Ų95.440%0.39949%0.485SS..Hα-helixtrans-64.5-46.3175.7-1630000111.9K980 I981 D982 I986 N987 E988K980-S984 PolarHBondContact O-N 3.26Å; K980-S984 VanDerWaalsContact O-N 3.07Å; I981-S984 WeakPolarHBondContact O-CA 3.43Å; I981-S984 VanDerWaalsContact O-CB 3.28Å; I981-S984 WeakPolarHBondContact O-CB 3.25Å; I981-S984 PolarHBondContact O-N 2.98Å; D982-S984 VanDerWaalsContact C-N 3.34Å; D982-S984 PolarHBondContact O-N 3.49Å; S984-I986 PolarHBondContact O-N 3.03Å; S984-N987 WeakPolarHBondContact O-CB 3.24Å; S984-N987 PolarHBondContact O-N 3.25Å; S984-N987 VanDerWaalsContact O-N 3.12Å; S984-E988 PolarHBondContact O-N 3.27Å
985I68.7Low70.4Confident73 Ų7397.6 Ų97.637%0.37449%0.494SS..Hα-helixtrans-62.6-40.7-179.3-65.8167.1000111.5I981 D982 N987 E988 Q989I981-I985 HydrophobicContact CG2-CD1 3.78Å; I981-I985 HydrophobicContact CG2-CG1 4.42Å; I981-I985 WeakPolarHBondContact O-CG1 3.43Å; I981-I985 PolarHBondContact O-N 2.59Å; D982-I985 PolarHBondContact O-N 3.08Å; I985-N987 VanDerWaalsContact C-N 3.29Å; I985-N987 PolarHBondContact O-N 3.13Å; I985-E988 PolarHBondContact O-N 3.06Å; I985-Q989 WeakPolarHBondContact O-CG 3.37Å; I985-Q989 PolarHBondContact O-N 2.96Å; I985-Q989 VanDerWaalsContact O-N 3.09Å
986I68.7Low71Confident113 Ų11394.5 Ų94.558%0.57948%0.484SS*.Hα-helixtrans-62.4-38175.7-67165.3000111D982 S984 S990D982-I986 WeakPolarHBondContact O-CG1 3.46Å; D982-I986 PolarHBondContact O-N 3.46Å; S984-I986 PolarHBondContact O-N 3.03Å; I986-S990 PolarHBondContact O-N 2.99Å
987N69.9Low71.6Confident84 Ų8496.7 Ų96.745%0.44949%0.49SS..Hα-helixtrans-69.4-42.2177.8-164.830.4000112.1K983 S984 I985 Q989 S990 I991K983-N987 PolarHBondContact O-N 3.45Å; S984-N987 WeakPolarHBondContact O-CB 3.24Å; S984-N987 PolarHBondContact O-N 3.25Å; S984-N987 VanDerWaalsContact O-N 3.12Å; I985-N987 VanDerWaalsContact C-N 3.29Å; I985-N987 PolarHBondContact O-N 3.13Å; N987-Q989 VanDerWaalsContact C-N 3.33Å; N987-Q989 PolarHBondContact O-N 2.93Å; N987-S990 WeakPolarHBondContact O-CB 3.37Å; N987-S990 PolarHBondContact O-N 3.25Å; N987-I991 WeakPolarHBondContact O-CG1 3.41Å; N987-I991 PolarHBondContact O-N 2.94Å
988E64.6Low72Confident113 Ų11397.8 Ų97.853%0.52850%0.496SS..Hα-helixtrans-59.9-41.8174.7-72.5-175.7177.700112.2S984 I985 S990 I991 I992S984-E988 PolarHBondContact O-N 3.27Å; I985-E988 PolarHBondContact O-N 3.06Å; E988-S990 VanDerWaalsContact C-N 3.33Å; E988-S990 PolarHBondContact O-N 3.12Å; E988-I991 PolarHBondContact O-N 2.79Å; E988-I991 VanDerWaalsContact O-N 3.16Å; E988-I992 WeakPolarHBondContact O-CG1 3.36Å; E988-I992 PolarHBondContact O-N 3.1Å
989Q65.9Low71.9Confident110 Ų11098.7 Ų98.751%0.51450%0.499SS..Hα-helixtrans-64.6-36.2177-71.7172.4-1.800112.3I985 N987 N993I985-Q989 WeakPolarHBondContact O-CG 3.37Å; I985-Q989 PolarHBondContact O-N 2.96Å; I985-Q989 VanDerWaalsContact O-N 3.09Å; N987-Q989 VanDerWaalsContact C-N 3.33Å; N987-Q989 PolarHBondContact O-N 2.93Å; Q989-N993 WeakPolarHBondContact O-CB 3.48Å; Q989-N993 VanDerWaalsContact O-CG 3.27Å; Q989-N993 PolarHBondContact O-N 2.84Å; Q989-N993 PolarHBondContact O-ND2 3.25Å
990S71.9Confident72.2Confident57 Ų5799.2 Ų99.240%0.39950%0.501SS..Hα-helixtrans-61.8-42.7171.1-177.20000112.2I986 N987 E988 N993 K994I986-S990 PolarHBondContact O-N 2.99Å; N987-S990 WeakPolarHBondContact O-CB 3.37Å; N987-S990 PolarHBondContact O-N 3.25Å; E988-S990 VanDerWaalsContact C-N 3.33Å; E988-S990 PolarHBondContact O-N 3.12Å; S990-N993 PolarHBondContact O-N 3.45Å; S990-K994 PolarHBondContact O-N 3.38Å; S990-K994 VanDerWaalsContact O-N 3.1Å
991I74.8Confident72.1Confident85 Ų8597.9 Ų97.944%0.43650%0.496SS..Hα-helixtrans-65.9-46.1177.7-66.5165.5000111.2N987 E988 N993 K994 I995N987-I991 WeakPolarHBondContact O-CG1 3.41Å; N987-I991 PolarHBondContact O-N 2.94Å; E988-I991 PolarHBondContact O-N 2.79Å; E988-I991 VanDerWaalsContact O-N 3.16Å; I991-N993 VanDerWaalsContact C-N 3.32Å; I991-N993 PolarHBondContact O-N 3.38Å; I991-K994 PolarHBondContact O-N 3.46Å; I991-K994 VanDerWaalsContact O-N 3.17Å; I991-I995 HydrophobicContact CG2-CD1 3.85Å; I991-I995 HydrophobicContact CG2-CG1 4.48Å; I991-I995 WeakPolarHBondContact O-CG1 3.32Å; I991-I995 PolarHBondContact O-N 3.34Å
992I71.1Confident71.6Confident90 Ų9099.2 Ų99.246%0.46250%0.501SS..Hα-helixtrans-59-43.8177.8-69.4164.7000110.8E988 K994 I995 N996E988-I992 WeakPolarHBondContact O-CG1 3.36Å; E988-I992 PolarHBondContact O-N 3.1Å; I992-K994 PolarHBondContact O-N 3.02Å; I992-I995 PolarHBondContact O-N 2.69Å; I992-N996 VanDerWaalsContact O-CG 3.29Å; I992-N996 PolarHBondContact O-N 3.33Å; I992-N996 PolarHBondContact O-ND2 3.14Å
993N71.3Confident71.5Confident100 Ų10099.7 Ų99.754%0.53550%0.503SS..Hα-helixtrans-64-38.3177.2-72.3-16.6000112.5Q989 S990 I991 N997Q989-N993 WeakPolarHBondContact O-CB 3.48Å; Q989-N993 VanDerWaalsContact O-CG 3.27Å; Q989-N993 PolarHBondContact O-N 2.84Å; Q989-N993 PolarHBondContact O-ND2 3.25Å; S990-N993 PolarHBondContact O-N 3.45Å; I991-N993 VanDerWaalsContact C-N 3.32Å; I991-N993 PolarHBondContact O-N 3.38Å; N993-N997 PolarHBondContact O-N 2.96Å; N993-N997 VanDerWaalsContact O-N 3.13Å
994K81.6Confident71.8Confident142 Ų14295.8 Ų95.862%0.61749%0.489SS*.Hα-helixtrans-63.9-43.6173.2-76.1-176176.9-175.80112.4S990 I991 I992 N997 I998S990-K994 PolarHBondContact O-N 3.38Å; S990-K994 VanDerWaalsContact O-N 3.1Å; I991-K994 PolarHBondContact O-N 3.46Å; I991-K994 VanDerWaalsContact O-N 3.17Å; I992-K994 PolarHBondContact O-N 3.02Å; K994-N997 PolarHBondContact O-N 3Å; K994-I998 WeakPolarHBondContact O-CG1 3.41Å; K994-I998 PolarHBondContact O-N 3.14Å
995I79.5Confident72Confident93 Ų9396.8 Ų96.848%0.47749%0.49SS..Hα-helixtrans-62.4-45.6178.4-67.8167.9000110.7I991 I992 N997 I998 Q999I991-I995 HydrophobicContact CG2-CD1 3.85Å; I991-I995 HydrophobicContact CG2-CG1 4.48Å; I991-I995 WeakPolarHBondContact O-CG1 3.32Å; I991-I995 PolarHBondContact O-N 3.34Å; I992-I995 PolarHBondContact O-N 2.69Å; I995-N997 VanDerWaalsContact C-N 3.31Å; I995-N997 PolarHBondContact O-N 3.11Å; I995-I998 PolarHBondContact O-N 2.93Å; I995-Q999 PolarHBondContact O-N 3.36Å
996N76.6Confident71.3Confident77 Ų7799 Ų9941%0.41250%0.499SS..Hα-helixtrans-60-40.4177.8-70.6-21000112.2I992 Q999 L1000I992-N996 VanDerWaalsContact O-CG 3.29Å; I992-N996 PolarHBondContact O-N 3.33Å; I992-N996 PolarHBondContact O-ND2 3.14Å; N996-Q999 PolarHBondContact O-N 3.24Å; N996-L1000 WeakPolarHBondContact O-CB 3.34Å; N996-L1000 WeakPolarHBondContact O-CG 3.49Å; N996-L1000 PolarHBondContact O-N 3.04Å
997N76.6Confident71Confident109 Ų10998.3 Ų98.358%0.58350%0.495SS*.Hα-helixtrans-67.4-41.3177.1-74-8.7000112.6N993 K994 I995 L1000 Q1001N993-N997 PolarHBondContact O-N 2.96Å; N993-N997 VanDerWaalsContact O-N 3.13Å; K994-N997 PolarHBondContact O-N 3Å; I995-N997 VanDerWaalsContact C-N 3.31Å; I995-N997 PolarHBondContact O-N 3.11Å; N997-L1000 PolarHBondContact O-N 3.27Å; N997-Q1001 PolarHBondContact O-N 3.25Å
998I78.3Confident70.4Confident105 Ų10599.6 Ų99.654%0.53850%0.499SS..Hα-helixtrans-60.5-47174.8-68.1164.2000110.1K994 I995 L1000 Q1001 E1002K994-I998 WeakPolarHBondContact O-CG1 3.41Å; K994-I998 PolarHBondContact O-N 3.14Å; I995-I998 PolarHBondContact O-N 2.93Å; I998-L1000 VanDerWaalsContact C-N 3.34Å; I998-L1000 PolarHBondContact O-N 3.18Å; I998-Q1001 PolarHBondContact O-N 3.23Å; I998-Q1001 VanDerWaalsContact O-N 3.13Å; I998-E1002 PolarHBondContact O-N 2.69Å
999Q70.8Confident69.8Low112 Ų11299.1 Ų99.152%0.52350%0.499SS..Hα-helixtrans-68.8-30.7-178.4-165166.522.400112.9I995 N996 N1003I995-Q999 PolarHBondContact O-N 3.36Å; N996-Q999 PolarHBondContact O-N 3.24Å; Q999-N1003 PolarHBondContact O-N 2.9Å; Q999-N1003 PolarHBondContact O-ND2 3.22Å
1000L70.8Confident69.2Low103 Ų10398.7 Ų98.754%0.53950%0.499SS..Hα-helixtrans-65.8-43.2169-81.1165.8000111.6N996 N997 I998 N1003 I1004N996-L1000 WeakPolarHBondContact O-CB 3.34Å; N996-L1000 WeakPolarHBondContact O-CG 3.49Å; N996-L1000 PolarHBondContact O-N 3.04Å; N997-L1000 PolarHBondContact O-N 3.27Å; I998-L1000 VanDerWaalsContact C-N 3.34Å; I998-L1000 PolarHBondContact O-N 3.18Å; L1000-N1003 PolarHBondContact O-N 3.23Å; L1000-I1004 WeakPolarHBondContact O-CG1 3.49Å; L1000-I1004 PolarHBondContact O-N 3.42Å
1001Q72.2Confident68.1Low103 Ų103100.4 Ų100.448%0.48150%0.504SS..Hα-helixtrans-64.6-42.2179-167.363.445.900112.3N997 I998 N1003 I1004 N1005N997-Q1001 PolarHBondContact O-N 3.25Å; I998-Q1001 PolarHBondContact O-N 3.23Å; I998-Q1001 VanDerWaalsContact O-N 3.13Å; Q1001-N1003 VanDerWaalsContact C-N 3.34Å; Q1001-N1003 PolarHBondContact O-N 3.23Å; Q1001-I1004 PolarHBondContact O-N 3.11Å; Q1001-N1005 PolarHBondContact NE2-OD1 2.9Å; Q1001-N1005 VanDerWaalsContact NE2-OD1 3.17Å; Q1001-N1005 WeakPolarHBondContact O-CB 3.34Å; Q1001-N1005 PolarHBondContact O-N 3.43Å; Q1001-N1005 PolarHBondContact O-OD1 2.7Å
1002E66.1Low67.1Low117 Ų117101.5 Ų101.555%0.54751%0.511SS..Hα-helixtrans-60.6-41.8174.3-73.2-174.2152.400112.3I998 N1005 H1006I998-E1002 PolarHBondContact O-N 2.69Å; E1002-N1005 PolarHBondContact O-N 3.49Å; E1002-H1006 WeakPolarHBondContact O-CB 3.34Å; E1002-H1006 PolarHBondContact O-N 3.48Å
1003N70.3Confident65.9Low88 Ų88101.3 Ų101.347%0.47151%0.51SS..Hα-helixtrans-64.4-41.1176.3-77.1-46.7000112.1Q999 L1000 Q1001 H1006 I1007Q999-N1003 PolarHBondContact O-N 2.9Å; Q999-N1003 PolarHBondContact O-ND2 3.22Å; L1000-N1003 PolarHBondContact O-N 3.23Å; Q1001-N1003 VanDerWaalsContact C-N 3.34Å; Q1001-N1003 PolarHBondContact O-N 3.23Å; N1003-H1006 PolarHBondContact O-N 3.3Å; N1003-I1007 VanDerWaalsContact O-CG1 3.29Å; N1003-I1007 WeakPolarHBondContact O-CG1 3.48Å; N1003-I1007 PolarHBondContact O-N 2.96Å
1004I72.9Confident64.6Low80 Ų80100.6 Ų100.641%0.4151%0.507SS..Hα-helixtrans-62.6-46175.2-69.1164.6000110.5L1000 Q1001 H1006 I1007 Q1008L1000-I1004 WeakPolarHBondContact O-CG1 3.49Å; L1000-I1004 PolarHBondContact O-N 3.42Å; Q1001-I1004 PolarHBondContact O-N 3.11Å; I1004-H1006 VanDerWaalsContact C-N 3.33Å; I1004-H1006 PolarHBondContact O-N 3.16Å; I1004-I1007 PolarHBondContact O-N 3.03Å; I1004-Q1008 PolarHBondContact O-N 3.33Å
1005N68.5Low62.6Low79 Ų7999.5 Ų99.542%0.42251%0.508SS..Hα-helixtrans-61.5-40.6177.5-66.7-4.2000111.4Q1001 E1002 Q1008 L1009Q1001-N1005 PolarHBondContact NE2-OD1 2.9Å; Q1001-N1005 VanDerWaalsContact NE2-OD1 3.17Å; Q1001-N1005 WeakPolarHBondContact O-CB 3.34Å; Q1001-N1005 PolarHBondContact O-N 3.43Å; Q1001-N1005 PolarHBondContact O-OD1 2.7Å; E1002-N1005 PolarHBondContact O-N 3.49Å; N1005-Q1008 PolarHBondContact O-N 3.03Å; N1005-L1009 WeakPolarHBondContact O-CB 3.27Å; N1005-L1009 PolarHBondContact O-N 3.11Å
1006H54.9Low60.6Low120 Ų120101.4 Ų101.456%0.55652%0.519SS*.Hα-helixtrans-64.1-39.9174.3-97.7-51.5000112.9E1002 N1003 I1004 L1009 I1010E1002-H1006 WeakPolarHBondContact O-CB 3.34Å; E1002-H1006 PolarHBondContact O-N 3.48Å; N1003-H1006 PolarHBondContact O-N 3.3Å; I1004-H1006 VanDerWaalsContact C-N 3.33Å; I1004-H1006 PolarHBondContact O-N 3.16Å; H1006-L1009 PolarHBondContact O-N 3.14Å; H1006-I1010 VanDerWaalsContact O-CG1 3.3Å; H1006-I1010 WeakPolarHBondContact O-CG1 3.46Å; H1006-I1010 PolarHBondContact O-N 2.74Å
1007I62.7Low58.7Low98 Ų98103.9 Ų103.950%0.50353%0.528SS..Hα-helixtrans-65.9-42.3176.2-68.9164000110.8N1003 I1004 L1009 I1010 N1011N1003-I1007 VanDerWaalsContact O-CG1 3.29Å; N1003-I1007 WeakPolarHBondContact O-CG1 3.48Å; N1003-I1007 PolarHBondContact O-N 2.96Å; I1004-I1007 PolarHBondContact O-N 3.03Å; I1007-L1009 PolarHBondContact O-N 3.23Å; I1007-I1010 PolarHBondContact O-N 2.94Å; I1007-N1011 PolarHBondContact O-N 2.95Å
1008Q57.4Low56.8Low111 Ų111105.1 Ų105.152%0.51953%0.533SS..Hα-helixtrans-61.5-41.9173.5-74.4-177.2-18.600112I1004 N1005 I1010 N1011 N1012I1004-Q1008 PolarHBondContact O-N 3.33Å; N1005-Q1008 PolarHBondContact O-N 3.03Å; Q1008-I1010 VanDerWaalsContact C-N 3.32Å; Q1008-I1010 PolarHBondContact O-N 2.99Å; Q1008-N1011 PolarHBondContact O-N 3.46Å; Q1008-N1012 WeakPolarHBondContact O-CB 3.21Å; Q1008-N1012 VanDerWaalsContact O-CG 3.31Å; Q1008-N1012 PolarHBondContact O-N 2.99Å
1009L50.6Low54.8Low103 Ų103108.8 Ų108.854%0.53955%0.548SS..Hα-helixtrans-64.6-35.2176.7-159.778.9000112.2N1005 H1006 I1007 N1013N1005-L1009 WeakPolarHBondContact O-CB 3.27Å; N1005-L1009 PolarHBondContact O-N 3.11Å; H1006-L1009 PolarHBondContact O-N 3.14Å; I1007-L1009 PolarHBondContact O-N 3.23Å; L1009-N1013 WeakPolarHBondContact O-CB 3.25Å; L1009-N1013 PolarHBondContact O-N 3.13Å; L1009-N1013 PolarHBondContact O-ND2 3.48Å
1010I53.4Low53Low101 Ų101110.4 Ų110.452%0.51856%0.559SS.*Hα-helixtrans-67.7-44.5174.6-70.7164.1000110.5H1006 I1007 Q1008 N1013 N1014H1006-I1010 VanDerWaalsContact O-CG1 3.3Å; H1006-I1010 WeakPolarHBondContact O-CG1 3.46Å; H1006-I1010 PolarHBondContact O-N 2.74Å; I1007-I1010 PolarHBondContact O-N 2.94Å; Q1008-I1010 VanDerWaalsContact C-N 3.32Å; Q1008-I1010 PolarHBondContact O-N 2.99Å; I1010-N1013 PolarHBondContact O-N 2.73Å; I1010-N1014 PolarHBondContact O-N 3.43Å; I1010-N1014 PolarHBondContact O-ND2 3.35Å
1011N50.7Low51.1Low92 Ų92114 Ų11449%0.49257%0.57SS.*Hα-helixtrans-63.9-47.8179.5-72.3-10.3000111.9I1007 Q1008 N1013 N1014I1007-N1011 PolarHBondContact O-N 2.95Å; Q1008-N1011 PolarHBondContact O-N 3.46Å; N1011-N1013 PolarHBondContact O-N 2.98Å; N1011-N1014 WeakPolarHBondContact O-CB 3.31Å; N1011-N1014 PolarHBondContact O-N 3Å
1012N51.9Low49Very low108 Ų108116.4 Ų116.458%0.57859%0.586SS**Hα-helixtrans-64.7-23.1179.9-66.8-4.7000113.4Q1008Q1008-N1012 WeakPolarHBondContact O-CB 3.21Å; Q1008-N1012 VanDerWaalsContact O-CG 3.31Å; Q1008-N1012 PolarHBondContact O-N 2.99Å
1013N47.5Very low47.3Very low86 Ų86117.7 Ų117.746%0.4660%0.597SS.*Hα-helixtrans-84.2-14.8174.8-81-58.3000113.9L1009 I1010 N1011L1009-N1013 WeakPolarHBondContact O-CB 3.25Å; L1009-N1013 PolarHBondContact O-N 3.13Å; L1009-N1013 PolarHBondContact O-ND2 3.48Å; I1010-N1013 PolarHBondContact O-N 2.73Å; N1011-N1013 PolarHBondContact O-N 2.98Å
1014N42.5Very low45.3Very low86 Ų86124.8 Ų124.846%0.4662%0.618SS.*Hα-helixtrans-78-36.6177.1-72.9-30.7000112.1I1010 N1011 N1016 Q1017I1010-N1014 PolarHBondContact O-N 3.43Å; I1010-N1014 PolarHBondContact O-ND2 3.35Å; N1011-N1014 WeakPolarHBondContact O-CB 3.31Å; N1011-N1014 PolarHBondContact O-N 3Å; N1014-N1016 VanDerWaalsContact C-N 3.29Å; N1014-N1016 PolarHBondContact O-N 2.98Å; N1014-Q1017 PolarHBondContact O-N 2.96Å
1015D39.9Very low43.2Very low119 Ų119130.6 Ų130.664%0.63664%0.644SS**Hα-helixtrans-63.6-35.5179.1-69.4-25000112.1Q1017D1015-Q1017 VanDerWaalsContact C-N 3.32Å; D1015-Q1017 PolarHBondContact O-N 3.4Å
1016N39.2Very low41.3Very low132 Ų132131.2 Ų131.271%0.70665%0.654SS**THydrogen-bonded Turntrans-77.1-9.8175.3-77.2-38.1000114.3N1014N1014-N1016 VanDerWaalsContact C-N 3.29Å; N1014-N1016 PolarHBondContact O-N 2.98Å
1017Q36.5Very low40.1Very low129 Ų129133.3 Ų133.360%0.60367%0.67SS**THydrogen-bonded Turntrans-91.5-3178.7-90.3-169.950.600115N1014 D1015 Q1019 I1020N1014-Q1017 PolarHBondContact O-N 2.96Å; D1015-Q1017 VanDerWaalsContact C-N 3.32Å; D1015-Q1017 PolarHBondContact O-N 3.4Å; Q1017-Q1019 PolarHBondContact O-N 2.96Å; Q1017-I1020 PolarHBondContact O-N 2.77Å
1018I36.2Very low38.5Very low135 Ų135137.3 Ų137.369%0.69269%0.691SS**THydrogen-bonded Turntrans-61.4-19.4178.1-66.3179.9000112.7
1019Q36.1Very low37.1Very low183 Ų183140 Ų14086%0.85571%0.706SS**THydrogen-bonded Turntrans-93.50.3179.2-66.5-163.425.600116.7Q1017Q1017-Q1019 PolarHBondContact O-N 2.96Å
1020I32.8Very low36.1Very low146 Ų146141.7 Ų141.775%0.74972%0.715SS**  trans-109.441.1179.7-37.1-175.9000112.7Q1017Q1017-I1020 PolarHBondContact O-N 2.77Å
1021K30.2Very low35Very low179 Ų179144.6 Ų144.678%0.77873%0.73SS**  trans-88133.7156.1-86.8177.4174.5171.20109.2
1022N29Very low34Very low153 Ų153150.6 Ų150.682%0.81875%0.746SS**SBendtrans113.244.7166-55.3-18.1000118.6
1023N29.9Very low33Very low143 Ų143154.5 Ų154.577%0.76576%0.761SS**SBendtrans-149.616164.1-117.2-28.6000119.6
1024Y28.1Very low32.2Very low237 Ų237159.1 Ų159.193%0.92978%0.777SS**SBendtrans-129.827.6175.7-70.5-69.1000114.8
1025Q28.8Very low31.7Very low202 Ų202160.8 Ų160.894%0.94479%0.792SS**  trans-109.556.5170-89.1-164.9-32.400112.7
1026S29.8Very low31Very low92 Ų92162.3 Ų162.364%0.64380%0.799SS**SBendtrans-162.574.4168.845.40000112
1027N29.5Very low30.3Very low165 Ų165164.4 Ų164.488%0.88280%0.804SS**SBendtrans-169.7-8.5157.2-97.5-30.6000114.9M1029N1027-M1029 PolarHBondContact O-N 3.23Å
1028L28.9Very low30Very low182 Ų182163.9 Ų163.995%0.95381%0.805SS**  trans-91.868.3170.3-85.2126.9000111.8
1029M28.6Very low29.5Very low166 Ų166163.1 Ų163.182%0.81881%0.806SS**  trans-143.3142.5166.8-105-72.3-179.400109.2N1027N1027-M1029 PolarHBondContact O-N 3.23Å
1030N29.7Very low29.2Very low139 Ų139162.8 Ų162.874%0.74380%0.798SS**  trans68.346.7176.7-70.4-34.6000119
1031I29.5Very low29.1Very low162 Ų162161.1 Ų161.183%0.83180%0.797SS**  trans-106.196139.4-53.5-178.4000107.4E1033I1031-E1033 PolarHBondContact O-N 3.06Å; I1031-E1033 VanDerWaalsContact O-N 3.09Å
1032R30Very low28.9Very low218 Ų218161.6 Ų161.682%0.82380%0.799SS**  trans-60.1113.4169.7-71.4-179.6177-176.4-1.9107.9K1034R1032-K1034 VanDerWaalsContact C-N 3.32Å; R1032-K1034 PolarHBondContact O-N 3.36Å
1033E29.9Very low28.8Very low190 Ų190162.3 Ų162.389%0.88880%0.797SS**  trans-61.593.8171.7-66.5-174146.700109.1I1031I1031-E1033 PolarHBondContact O-N 3.06Å; I1031-E1033 VanDerWaalsContact O-N 3.09Å
1034K31.5Very low28.6Very low184 Ų184160.5 Ų160.580%0.880%0.796SS**  trans-67.7125.8163.8-73.1-174176.2-177.20106.6R1032 I1036R1032-K1034 VanDerWaalsContact C-N 3.32Å; R1032-K1034 PolarHBondContact O-N 3.36Å; K1034-I1036 PolarHBondContact O-N 3.42Å
1035P31.1Very low28.6Very low120 Ų120155.3 Ų155.378%0.77979%0.789SS**  trans-57.9126.5179.423.3-33000109.2Q1037P1035-Q1037 PolarHBondContact O-N 3.21Å
1036I25.9Very low28.4Very low151 Ų151153.5 Ų153.577%0.77479%0.786SS**  trans-69.199.5-178.1-57.3174.2000107.6K1034 I1038K1034-I1036 PolarHBondContact O-N 3.42Å; I1036-I1038 VanDerWaalsContact C-N 3.29Å; I1036-I1038 HydrophobicContact CG2-CG1 3.87Å; I1036-I1038 PolarHBondContact O-N 3.46Å
1037Q25Very low28.3Very low176 Ų176157.3 Ų157.382%0.82280%0.798SS**  trans-65.695.1162.5-87.7-175-2600108P1035 V1039P1035-Q1037 PolarHBondContact O-N 3.21Å; Q1037-V1039 PolarHBondContact O-N 2.9Å
1038I29.8Very low28.3Very low119 Ų119154.3 Ų154.361%0.6179%0.79SS**  trans-70.590.8165.8-58.6178.8000106.4I1036 Y1040I1036-I1038 VanDerWaalsContact C-N 3.29Å; I1036-I1038 HydrophobicContact CG2-CG1 3.87Å; I1036-I1038 PolarHBondContact O-N 3.46Å; I1038-Y1040 HydrophobicContact CG2-CD2 4.43Å; I1038-Y1040 HydrophobicContact CG2-CE2 4.16Å; I1038-Y1040 WeakPolarHBondContact O-CD2 3.46Å; I1038-Y1040 PolarHBondContact O-N 3.43Å
1039V25.6Very low28.3Very low119 Ų119154.5 Ų154.572%0.72179%0.786SS**  trans-68.9100.2173179.70000107.5Q1037Q1037-V1039 PolarHBondContact O-N 2.9Å
1040Y28.9Very low28.4Very low176 Ų176152 Ų15269%0.6978%0.784SS**  trans-63.7126.1170.4-74.3-89.2000109I1038 F1042I1038-Y1040 HydrophobicContact CG2-CD2 4.43Å; I1038-Y1040 HydrophobicContact CG2-CE2 4.16Å; I1038-Y1040 WeakPolarHBondContact O-CD2 3.46Å; I1038-Y1040 PolarHBondContact O-N 3.43Å; Y1040-F1042 PolarHBondContact O-N 2.62Å
1041P31.7Very low28.4Very low110 Ų110149.2 Ų149.271%0.71479%0.789SS**  trans-67.7106.2178.325.5-32.3000110.2H1043P1041-H1043 VanDerWaalsContact C-N 3.31Å; P1041-H1043 PolarHBondContact O-N 3.41Å
1042F24.8Very low28.6Very low189 Ų189152.2 Ų152.283%0.82979%0.79SS**  trans-69.286.5170-87.1-90.7000110.5Y1040Y1040-F1042 PolarHBondContact O-N 2.62Å
1043H28.6Very low29Very low168 Ų168149.4 Ų149.478%0.77879%0.79SS**  trans-113.384157.5-68-25.4000108.6P1041 T1045P1041-H1043 VanDerWaalsContact C-N 3.31Å; P1041-H1043 PolarHBondContact O-N 3.41Å; H1043-T1045 PolarHBondContact O-N 3.11Å
1044S24.2Very low29.6Very low106 Ų106148.1 Ų148.174%0.74179%0.788SS**  trans-68.691.7174.252.50000110.6
1045T29.5Very low30.2Very low127 Ų127144.9 Ų144.978%0.77978%0.778SS**  trans-111.5120.2159.946.20000108.9H1043 L1047H1043-T1045 PolarHBondContact O-N 3.11Å; T1045-L1047 PolarHBondContact O-N 3.06Å
1046N24.7Very low31.4Very low164 Ų164142.2 Ų142.288%0.87776%0.762SS**  trans-61107.8-173.1-62-63.1000111.5
1047L28.1Very low33.1Very low172 Ų172140.9 Ų140.990%0.90176%0.756SS**  trans-125.497.8158.5-139.976.6000109T1045T1045-L1047 PolarHBondContact O-N 3.06Å
1048S27.5Very low35.2Very low102 Ų102136.4 Ų136.471%0.71374%0.744SS**  trans-68.4156.7175.5-1660000110.9
1049Q29Very low37.2Very low186 Ų186133 Ų13387%0.86973%0.734SS**  trans63.680.5165.4-68169.3-2500117.8
1050S32.5Very low39.6Very low113 Ų113131.1 Ų131.179%0.7972%0.717SS**  -148.3124.9125-168.70000109.6R1052S1050-R1052 PolarHBondContact O-N 3.48Å
1051G29.3Very low42.1Very low81 Ų81127.5 Ų127.584%0.83571%0.709SS**  trans-73.862.6-172.100000114L1053G1051-L1053 PolarHBondContact O-N 3.05Å
1052R33.4Very low44.6Very low225 Ų225125.1 Ų125.185%0.84970%0.699SS**  trans-68.5101.2168.1-90.7-173.9171.3178.4-1.7109.2S1050 I1054S1050-R1052 PolarHBondContact O-N 3.48Å; R1052-I1054 PolarHBondContact O-N 2.84Å
1053L38.6Very low47.6Very low159 Ų159121.6 Ų121.683%0.83269%0.685SS**  trans-52.8107.3162.1-76.1162.8000108.4G1051 I1055G1051-L1053 PolarHBondContact O-N 3.05Å; L1053-I1055 PolarHBondContact O-N 2.92Å
1054I42.8Very low50.3Low163 Ų163120.6 Ų120.684%0.83667%0.674SS**  trans-73.187.8169.5-58.2176.6000105.9R1052 S1056R1052-I1054 PolarHBondContact O-N 2.84Å; I1054-S1056 PolarHBondContact O-N 2.84Å
1055I42.7Very low53.4Low116 Ų116120.7 Ų120.760%0.59566%0.663SS**  trans-64.9106.3169.8-57.4176.4000105.8L1053 L1057 A1059L1053-I1055 PolarHBondContact O-N 2.92Å; I1055-L1057 PolarHBondContact O-N 3.18Å; I1055-A1059 HydrophobicContact CG2-CB 4.01Å
1056S56.4Low56.3Low64 Ų64117 Ų11745%0.44865%0.645SS.*  trans-55132.1174.448.70000109.2I1054 S1058 A1059I1054-S1056 PolarHBondContact O-N 2.84Å; S1056-S1058 PolarHBondContact O-N 3.36Å; S1056-A1059 WeakPolarHBondContact O-CB 3.4Å; S1056-A1059 PolarHBondContact O-N 3.05Å
1057L62.8Low59.6Low124 Ų124117.2 Ų117.265%0.64963%0.634SS**Hα-helixtrans-50-32.2-174.1-170.371.2000113.5I1055 A1059 E1060 L1061I1055-L1057 PolarHBondContact O-N 3.18Å; L1057-A1059 PolarHBondContact O-N 3.42Å; L1057-E1060 PolarHBondContact O-N 3.43Å; L1057-L1061 HydrophobicContact CG-CD1 4.36Å; L1057-L1061 WeakPolarHBondContact O-CG 3.42Å; L1057-L1061 PolarHBondContact O-N 3.46Å
1058S68.4Low62.8Low82 Ų82115.1 Ų115.157%0.57362%0.618SS**Hα-helixtrans-58.3-38172.838.80000114.4S1056 A1062S1056-S1058 PolarHBondContact O-N 3.36Å; S1058-A1062 WeakPolarHBondContact O-CB 3.44Å; S1058-A1062 PolarHBondContact O-N 3.4Å
1059A72.2Confident66Low47 Ų47116.3 Ų116.339%0.38861%0.61SS.*Hα-helixtrans-71.9-39176.700000111.8I1055 S1056 L1057 L1061 A1062 E1063I1055-A1059 HydrophobicContact CG2-CB 4.01Å; S1056-A1059 WeakPolarHBondContact O-CB 3.4Å; S1056-A1059 PolarHBondContact O-N 3.05Å; L1057-A1059 PolarHBondContact O-N 3.42Å; A1059-L1061 VanDerWaalsContact C-N 3.34Å; A1059-A1062 PolarHBondContact O-N 3.12Å; A1059-E1063 PolarHBondContact O-N 3.4Å
1060E75.9Confident69.1Low80 Ų80116.8 Ų116.837%0.37460%0.604SS.*Hα-helixtrans-65.4-38.1174.8-168-173.314400111.6L1057 R1064L1057-E1060 PolarHBondContact O-N 3.43Å; E1060-R1064 WeakPolarHBondContact O-CG 3.34Å; E1060-R1064 PolarHBondContact O-N 3.11Å; E1060-R1064 IonicContact OE1-CZ 2.62Å; E1060-R1064 IonicContact OE1-NH1 2.75Å; E1060-R1064 PolarHBondContact OE1-NH1 3.08Å; E1060-R1064 IonicContact OE1-NH2 3.86Å; E1060-R1064 PolarHBondContact OE1-NH2 3.27Å
1061L80.2Confident72.1Confident99 Ų99116.4 Ų116.452%0.51859%0.592SS.*Hα-helixtrans-65.9-44.8173.9-72.1169.6000112L1057 A1059 E1063 R1064 E1065L1057-L1061 HydrophobicContact CG-CD1 4.36Å; L1057-L1061 WeakPolarHBondContact O-CG 3.42Å; L1057-L1061 PolarHBondContact O-N 3.46Å; A1059-L1061 VanDerWaalsContact C-N 3.34Å; L1061-E1063 PolarHBondContact O-N 3.01Å; L1061-R1064 PolarHBondContact O-N 3.05Å; L1061-E1065 PolarHBondContact O-N 3.48Å
1062A85Confident75Confident60 Ų60116.8 Ų116.850%0.49657%0.572SS.*Hα-helixtrans-60.9-42.7176.300000112.2S1058 A1059 E1065 A1066S1058-A1062 WeakPolarHBondContact O-CB 3.44Å; S1058-A1062 PolarHBondContact O-N 3.4Å; A1059-A1062 PolarHBondContact O-N 3.12Å; A1062-E1065 PolarHBondContact O-N 3.05Å; A1062-A1066 WeakPolarHBondContact O-CB 3.49Å; A1062-A1066 PolarHBondContact O-N 3.41Å
1063E88.6Confident77.7Confident116 Ų116107.5 Ų107.554%0.54255%0.547SS..Hα-helixtrans-69.4-35175.9-173.1169156.200112.4A1059 L1061 E1065 A1066 R1067A1059-E1063 PolarHBondContact O-N 3.4Å; L1061-E1063 PolarHBondContact O-N 3.01Å; E1063-E1065 VanDerWaalsContact C-N 3.34Å; E1063-E1065 PolarHBondContact O-N 3.3Å; E1063-A1066 PolarHBondContact O-N 3.41Å; E1063-R1067 VanDerWaalsContact O-CB 3.24Å; E1063-R1067 WeakPolarHBondContact O-CB 3.33Å; E1063-R1067 PolarHBondContact O-N 3.21Å; E1063-R1067 IonicContact OE1-CZ 2.67Å; E1063-R1067 IonicContact OE1-NH2 2.7Å; E1063-R1067 PolarHBondContact OE1-NH2 3.09Å
1064R85.1Confident80.2Confident146 Ų146104.1 Ų104.155%0.55153%0.529SS*.Hα-helixtrans-59.4-44171.7-82.4-164.4-179.592.49.9111.9E1060 L1061 R1067 K1068E1060-R1064 WeakPolarHBondContact O-CG 3.34Å; E1060-R1064 PolarHBondContact O-N 3.11Å; E1060-R1064 IonicContact OE1-CZ 2.62Å; E1060-R1064 IonicContact OE1-NH1 2.75Å; E1060-R1064 PolarHBondContact OE1-NH1 3.08Å; E1060-R1064 IonicContact OE1-NH2 3.86Å; E1060-R1064 PolarHBondContact OE1-NH2 3.27Å; L1061-R1064 PolarHBondContact O-N 3.05Å; R1064-R1067 PolarHBondContact O-N 3.48Å; R1064-K1068 PolarHBondContact O-N 3.12Å
1065E88.4Confident82Confident108 Ų108101.9 Ų101.951%0.50552%0.516SS..Hα-helixtrans-66.2-44.1178.3-159.6-160.413900111.7L1061 A1062 E1063 R1067 K1068 K1069L1061-E1065 PolarHBondContact O-N 3.48Å; A1062-E1065 PolarHBondContact O-N 3.05Å; E1063-E1065 VanDerWaalsContact C-N 3.34Å; E1063-E1065 PolarHBondContact O-N 3.3Å; E1065-R1067 VanDerWaalsContact C-N 3.33Å; E1065-R1067 PolarHBondContact O-N 3.44Å; E1065-K1068 WeakPolarHBondContact O-CB 3.37Å; E1065-K1068 PolarHBondContact O-N 2.95Å; E1065-K1069 PolarHBondContact O-N 3.43Å; E1065-K1069 IonicContact OE1-NZ 3.18Å; E1065-K1069 PolarHBondContact OE1-NZ 3.39Å
1066A90.3Very high83.7Confident50 Ų5099.7 Ų99.741%0.41351%0.511SS..Hα-helixtrans-60.8-40.9174.900000112.1A1062 E1063 K1069 R1070A1062-A1066 WeakPolarHBondContact O-CB 3.49Å; A1062-A1066 PolarHBondContact O-N 3.41Å; E1063-A1066 PolarHBondContact O-N 3.41Å; A1066-K1069 PolarHBondContact O-N 3.49Å; A1066-R1070 VanDerWaalsContact O-CG 3.31Å; A1066-R1070 WeakPolarHBondContact O-CG 3.35Å; A1066-R1070 PolarHBondContact O-N 3.44Å
1067R94.2Very high84.8Confident168 Ų168105 Ų10563%0.63452%0.521SS*.Hα-helixtrans-67.3-36.3176.5-168.8175.1-70.4-173.41.3111.8E1063 R1064 E1065 R1070 L1071E1063-R1067 VanDerWaalsContact O-CB 3.24Å; E1063-R1067 WeakPolarHBondContact O-CB 3.33Å; E1063-R1067 PolarHBondContact O-N 3.21Å; E1063-R1067 IonicContact OE1-CZ 2.67Å; E1063-R1067 IonicContact OE1-NH2 2.7Å; E1063-R1067 PolarHBondContact OE1-NH2 3.09Å; R1064-R1067 PolarHBondContact O-N 3.48Å; E1065-R1067 VanDerWaalsContact C-N 3.33Å; E1065-R1067 PolarHBondContact O-N 3.44Å; R1067-R1070 PolarHBondContact O-N 3.27Å; R1067-L1071 PolarHBondContact O-N 3.18Å; R1067-L1071 VanDerWaalsContact O-N 3.11Å
1068K95.7Very high85.4Confident128 Ų128104.2 Ų104.256%0.55752%0.516SS*.Hα-helixtrans-62.1-51.6172.5-173.8-171.4170.3-157.10111.5R1064 E1065 R1070 L1071 E1072R1064-K1068 PolarHBondContact O-N 3.12Å; E1065-K1068 WeakPolarHBondContact O-CB 3.37Å; E1065-K1068 PolarHBondContact O-N 2.95Å; K1068-R1070 VanDerWaalsContact C-N 3.29Å; K1068-R1070 PolarHBondContact O-N 3.3Å; K1068-L1071 WeakPolarHBondContact O-CB 3.46Å; K1068-L1071 PolarHBondContact O-N 2.85Å; K1068-E1072 WeakPolarHBondContact CE-OE1 3.44Å; K1068-E1072 IonicContact NZ-OE1 3.08Å; K1068-E1072 PolarHBondContact NZ-OE1 3.49Å; K1068-E1072 PolarHBondContact O-N 2.82Å
1069K94.6Very high85.6Confident128 Ų128107.9 Ų107.956%0.55752%0.522SS*.Hα-helixtrans-58.1-38.9177.5-79.9173.9170.2155.10112.7E1065 A1066 L1071 G1073E1065-K1069 PolarHBondContact O-N 3.43Å; E1065-K1069 IonicContact OE1-NZ 3.18Å; E1065-K1069 PolarHBondContact OE1-NZ 3.39Å; A1066-K1069 PolarHBondContact O-N 3.49Å; K1069-L1071 VanDerWaalsContact C-N 3.35Å; K1069-G1073 PolarHBondContact O-N 3.26Å
1070R94.6Very high84.9Confident196 Ų196111 Ų11174%0.7453%0.532SS*.Hα-helixtrans-64.6-36.9174.8-71.3173.879.8159.66.5112.4A1066 R1067 K1068 I1074A1066-R1070 VanDerWaalsContact O-CG 3.31Å; A1066-R1070 WeakPolarHBondContact O-CG 3.35Å; A1066-R1070 PolarHBondContact O-N 3.44Å; R1067-R1070 PolarHBondContact O-N 3.27Å; K1068-R1070 VanDerWaalsContact C-N 3.29Å; K1068-R1070 PolarHBondContact O-N 3.3Å; R1070-I1074 WeakPolarHBondContact O-CD1 3.47Å; R1070-I1074 VanDerWaalsContact O-CG1 3.31Å; R1070-I1074 WeakPolarHBondContact O-CG1 3.48Å; R1070-I1074 PolarHBondContact O-N 2.75Å
1071L94.1Very high83.7Confident104 Ų104113.9 Ų113.955%0.54555%0.545SS..Hα-helixtrans-71-44.2177.4-174.163.7000111.9R1067 K1068 K1069 G1073 I1074 M1075R1067-L1071 PolarHBondContact O-N 3.18Å; R1067-L1071 VanDerWaalsContact O-N 3.11Å; K1068-L1071 WeakPolarHBondContact O-CB 3.46Å; K1068-L1071 PolarHBondContact O-N 2.85Å; K1069-L1071 VanDerWaalsContact C-N 3.35Å; L1071-G1073 VanDerWaalsContact C-N 3.34Å; L1071-G1073 PolarHBondContact O-N 3.25Å; L1071-I1074 PolarHBondContact O-N 3.35Å; L1071-I1074 VanDerWaalsContact O-N 3.14Å; L1071-M1075 HydrophobicContact CG-SD 4.41Å; L1071-M1075 WeakPolarHBondContact O-CG 3.5Å; L1071-M1075 PolarHBondContact O-N 3.32Å
1072E90.1Very high82.2Confident89 Ų89112.9 Ų112.942%0.41655%0.546SS..Hα-helixtrans-57.8-45.8173.9-73.5171.3161.600110.9K1068 I1074 M1075 S1076K1068-E1072 WeakPolarHBondContact CE-OE1 3.44Å; K1068-E1072 IonicContact NZ-OE1 3.08Å; K1068-E1072 PolarHBondContact NZ-OE1 3.49Å; K1068-E1072 PolarHBondContact O-N 2.82Å; E1072-I1074 VanDerWaalsContact C-N 3.28Å; E1072-I1074 PolarHBondContact O-N 3.36Å; E1072-M1075 PolarHBondContact O-N 3.49Å; E1072-M1075 VanDerWaalsContact O-N 3.14Å; E1072-S1076 PolarHBondContact O-N 3.08Å; E1072-S1076 PolarHBondContact O-OG 3.01Å
1073G90.4Very high80.4Confident30 Ų30115.6 Ų115.631%0.30955%0.552SS.*Hα-helixtrans-63.8-26.1176.300000115K1069 L1071 R1077K1069-G1073 PolarHBondContact O-N 3.26Å; L1071-G1073 VanDerWaalsContact C-N 3.34Å; L1071-G1073 PolarHBondContact O-N 3.25Å; G1073-R1077 WeakPolarHBondContact O-CG 3.42Å
1074I90.7Very high78.4Confident89 Ų89115.5 Ų115.546%0.45656%0.556SS.*Hα-helixtrans-75.7-45.3171.2-70.1163.6000110R1070 L1071 E1072 S1076 R1077 I1078R1070-I1074 WeakPolarHBondContact O-CD1 3.47Å; R1070-I1074 VanDerWaalsContact O-CG1 3.31Å; R1070-I1074 WeakPolarHBondContact O-CG1 3.48Å; R1070-I1074 PolarHBondContact O-N 2.75Å; L1071-I1074 PolarHBondContact O-N 3.35Å; L1071-I1074 VanDerWaalsContact O-N 3.14Å; E1072-I1074 VanDerWaalsContact C-N 3.28Å; E1072-I1074 PolarHBondContact O-N 3.36Å; I1074-S1076 VanDerWaalsContact C-N 3.33Å; I1074-S1076 PolarHBondContact O-N 3.15Å; I1074-R1077 PolarHBondContact O-N 3.18Å; I1074-I1078 HydrophobicContact CG2-CD1 3.78Å; I1074-I1078 HydrophobicContact CG2-CG1 4.49Å; I1074-I1078 WeakPolarHBondContact O-CG1 3.46Å; I1074-I1078 PolarHBondContact O-N 3Å
1075M81.8Confident76.6Confident115 Ų115116 Ų11657%0.56757%0.569SS**Hα-helixtrans-60.3-39.4178-73.1174.56100112.5L1071 E1072 I1078 K1079L1071-M1075 HydrophobicContact CG-SD 4.41Å; L1071-M1075 WeakPolarHBondContact O-CG 3.5Å; L1071-M1075 PolarHBondContact O-N 3.32Å; E1072-M1075 PolarHBondContact O-N 3.49Å; E1072-M1075 VanDerWaalsContact O-N 3.14Å; M1075-I1078 PolarHBondContact O-N 3.14Å; M1075-K1079 PolarHBondContact O-N 3.16Å
1076S78Confident74.1Confident71 Ų71120.7 Ų120.750%0.49758%0.584SS.*Hα-helixtrans-63.4-40.8175.7-63.10000112.8E1072 I1074 K1079 L1080E1072-S1076 PolarHBondContact O-N 3.08Å; E1072-S1076 PolarHBondContact O-OG 3.01Å; I1074-S1076 VanDerWaalsContact C-N 3.33Å; I1074-S1076 PolarHBondContact O-N 3.15Å; S1076-K1079 PolarHBondContact O-N 3.39Å; S1076-L1080 WeakPolarHBondContact O-CG 3.41Å; S1076-L1080 PolarHBondContact O-N 3.36Å
1077R78.9Confident71.4Confident175 Ų175124.6 Ų124.666%0.6660%0.597SS**Hα-helixtrans-66.1-40.5176-67177.1-152.1-173.81.1112.2G1073 I1074 K1079 L1080 H1081G1073-R1077 WeakPolarHBondContact O-CG 3.42Å; I1074-R1077 PolarHBondContact O-N 3.18Å; R1077-K1079 VanDerWaalsContact C-N 3.34Å; R1077-L1080 PolarHBondContact O-N 3.44Å; R1077-H1081 PolarHBondContact O-CD2 3.36Å; R1077-H1081 PolarHBondContact O-N 3Å
1078I77.3Confident68.5Low107 Ų107125.4 Ų125.455%0.54961%0.609SS.*Hα-helixtrans-62.7-43175.5-66167.5000110.2I1074 M1075 H1081 S1082I1074-I1078 HydrophobicContact CG2-CD1 3.78Å; I1074-I1078 HydrophobicContact CG2-CG1 4.49Å; I1074-I1078 WeakPolarHBondContact O-CG1 3.46Å; I1074-I1078 PolarHBondContact O-N 3Å; M1075-I1078 PolarHBondContact O-N 3.14Å; I1078-H1081 PolarHBondContact O-N 3.41Å; I1078-S1082 PolarHBondContact O-N 3.03Å; I1078-S1082 PolarHBondContact O-OG 3.5Å
1079K72.3Confident65.6Low159 Ų159124.5 Ų124.569%0.69161%0.614SS**Hα-helixtrans-62.9-39.8176.6-92.6-167.4169.5-168.40113.6M1075 S1076 R1077 S1082M1075-K1079 PolarHBondContact O-N 3.16Å; S1076-K1079 PolarHBondContact O-N 3.39Å; R1077-K1079 VanDerWaalsContact C-N 3.34Å; K1079-S1082 WeakPolarHBondContact O-CB 3.44Å; K1079-S1082 PolarHBondContact O-N 3.06Å; K1079-S1082 VanDerWaalsContact O-N 3.16Å
1080L57Low62.6Low114 Ų114124.5 Ų124.560%0.59762%0.619SS**Hα-helixtrans-62.8-50.8177.4-71.5168000110.6S1076 R1077 S1082 N1083S1076-L1080 WeakPolarHBondContact O-CG 3.41Å; S1076-L1080 PolarHBondContact O-N 3.36Å; R1077-L1080 PolarHBondContact O-N 3.44Å; L1080-S1082 PolarHBondContact O-N 3.23Å; L1080-N1083 PolarHBondContact O-N 3.09Å; L1080-N1083 VanDerWaalsContact O-N 3.09Å
1081H51.4Low59.5Low140 Ų140121.8 Ų121.865%0.64862%0.619SS**THydrogen-bonded Turntrans-67.85.6174.1-59-42.9000115R1077 I1078R1077-H1081 PolarHBondContact O-CD2 3.36Å; R1077-H1081 PolarHBondContact O-N 3Å; I1078-H1081 PolarHBondContact O-N 3.41Å
1082S48Very low56.5Low77 Ų77123.7 Ų123.754%0.53863%0.629SS.*THydrogen-bonded Turntrans-92.9-16.5171.3-54.20000113I1078 K1079 L1080I1078-S1082 PolarHBondContact O-N 3.03Å; I1078-S1082 PolarHBondContact O-OG 3.5Å; K1079-S1082 WeakPolarHBondContact O-CB 3.44Å; K1079-S1082 PolarHBondContact O-N 3.06Å; K1079-S1082 VanDerWaalsContact O-N 3.16Å; L1080-S1082 PolarHBondContact O-N 3.23Å
1083N47.5Very low53.8Low117 Ų117126.9 Ų126.963%0.62665%0.645SS**THydrogen-bonded Turntrans-110.1-20.7-173.6-75.25.6000113.9L1080 D1085L1080-N1083 PolarHBondContact O-N 3.09Å; L1080-N1083 VanDerWaalsContact O-N 3.09Å; N1083-D1085 VanDerWaalsContact C-N 3.33Å; N1083-D1085 PolarHBondContact O-N 3Å
1084D46.8Very low50.9Low115 Ų115131.3 Ų131.362%0.61567%0.67SS**THydrogen-bonded Turntrans-73.5-21-172.8-61.6-30.1000113.6
1085D46.6Very low48.3Very low156 Ų156131.6 Ų131.683%0.83468%0.681SS**THydrogen-bonded Turntrans-98.30.5-174-84.3-13.6000115.4N1083N1083-D1085 VanDerWaalsContact C-N 3.33Å; N1083-D1085 PolarHBondContact O-N 3Å
1086Y35.3Very low45.8Very low207 Ų207132.8 Ų132.881%0.81269%0.687SS**THydrogen-bonded Turntrans-125.4-5.5-172.1-144.1-94.9000116.9
1087N34.7Very low43.6Very low131 Ų131136.1 Ų136.170%0.70170%0.699SS**  trans-124.130.3-176.6-76.8-29.9000114.1T1089N1087-T1089 PolarHBondContact O-N 2.84Å
1088Q33.1Very low41.4Very low186 Ų186137.1 Ų137.187%0.86971%0.708SS**  trans-81.652163.2-161.416774.500110.8I1090Q1088-I1090 PolarHBondContact O-N 3.01Å
1089T34.1Very low39.2Very low108 Ų108137.8 Ų137.866%0.66371%0.712SS**  trans-71.8115.1167.1-44.30000107N1087 N1091N1087-T1089 PolarHBondContact O-N 2.84Å; T1089-N1091 PolarHBondContact O-N 2.72Å; T1089-N1091 VanDerWaalsContact O-N 3.15Å
1090I31.4Very low37.2Very low129 Ų129135 Ų13566%0.66271%0.708SS**  trans-65.4113.2-175.6-63.7164.1000109.1Q1088 N1092Q1088-I1090 PolarHBondContact O-N 3.01Å; I1090-N1092 VanDerWaalsContact C-N 3.28Å; I1090-N1092 WeakPolarHBondContact CG2-OD1 3.41Å; I1090-N1092 PolarHBondContact O-N 3.14Å
1091N31.1Very low35.9Very low139 Ų139136.8 Ų136.874%0.74372%0.719SS**  trans-71.679175.6-77.9-5.2000111.1T1089 E1093T1089-N1091 PolarHBondContact O-N 2.72Å; T1089-N1091 VanDerWaalsContact O-N 3.15Å; N1091-E1093 PolarHBondContact O-N 3.26Å; N1091-E1093 VanDerWaalsContact O-N 3.09Å
1092N31.2Very low35Very low143 Ų143136 Ų13677%0.76572%0.723SS**  trans-81.259.8170.7-78.5-16.1000111.5I1090I1090-N1092 VanDerWaalsContact C-N 3.28Å; I1090-N1092 WeakPolarHBondContact CG2-OD1 3.41Å; I1090-N1092 PolarHBondContact O-N 3.14Å
1093E32Very low34.2Very low157 Ų157138 Ų13873%0.73473%0.732SS**  trans-102.3-11.8176.1-76.1-172.1144.900114N1091 S1095N1091-E1093 PolarHBondContact O-N 3.26Å; N1091-E1093 VanDerWaalsContact O-N 3.09Å; E1093-S1095 PolarHBondContact O-N 3.29Å
1094S30.5Very low33.4Very low122 Ų122141 Ų14185%0.85374%0.743SS**THydrogen-bonded Turntrans-78.422.2-172.174.60000116.1
1095S34.6Very low32.6Very low96 Ų96143 Ų14367%0.67175%0.753SS**THydrogen-bonded Turntrans-133.3-3.5-174.6-160.70000116.4E1093E1093-S1095 PolarHBondContact O-N 3.29Å
1096M29.2Very low31.9Very low140 Ų140143.1 Ų143.169%0.6975%0.752SS**SBendtrans-88.6-27.9178-70.9-64.4-77.200113.5K1098 L1099M1096-K1098 PolarHBondContact O-N 3.29Å; M1096-L1099 PolarHBondContact O-N 3.14Å
1097D32.9Very low31.3Very low141 Ų141136.9 Ų136.975%0.75475%0.751SS**THydrogen-bonded Turntrans-65.6-7.9-177.1-71.2-15.5000115.2
1098K32.6Very low31.1Very low195 Ų195138.7 Ų138.785%0.84876%0.755SS**THydrogen-bonded Turntrans-94.6-4.5177-76.9-168.4175.2-177.20115.1M1096M1096-K1098 PolarHBondContact O-N 3.29Å
1099L30.1Very low30.9Very low121 Ų121135.9 Ų135.963%0.63475%0.745SS**SBendtrans-102.7-10.3-178.8-95.8158.3000114.6M1096M1096-L1099 PolarHBondContact O-N 3.14Å
1100T30.8Very low30.6Very low100 Ų100141.4 Ų141.461%0.61376%0.755SS**THydrogen-bonded Turntrans-82.3-16.3-172.3-38.40000114.3
1101N29.7Very low30.4Very low153 Ų153140.5 Ų140.582%0.81876%0.757SS**THydrogen-bonded Turntrans-99.411.5-170.9-74.3-5.5000116
1102T33.5Very low30.1Very low122 Ų122144.6 Ų144.675%0.74876%0.764SS**SBendtrans-127.10.7-179.9-25.90000114.2
1103V31.7Very low29.5Very low119 Ų119143 Ų14372%0.72176%0.764SS**SBendtrans-104.23.9-172.1-169.40000112.6
1104Q30.7Very low29.2Very low181 Ų181144.8 Ų144.885%0.84677%0.769SS**SBendtrans-98.3-3.5-173.8-145.9159.613.500115.1
1105D30Very low29Very low157 Ų157147 Ų14784%0.8477%0.771SS**SBendtrans-106.26.1-173.4-86.7-14.4000115.8
1106I30.3Very low28.3Very low159 Ų159150.8 Ų150.882%0.81578%0.778SS**  trans-128.875.1172.1-49.4-178.7000110.6
1107G23.3Very low28.1Very low76 Ų76151.7 Ų151.778%0.78478%0.781SS**  trans-9962.7170.300000112.8
1108E31.4Very low27.9Very low168 Ų168151.9 Ų151.979%0.78579%0.786SS**  trans-125.7101.3172.8-70.5-160.4159.600113.7
1109I27.4Very low27.4Very low128 Ų128147.6 Ų147.666%0.65678%0.776SS**  47.5108.1129.3-51.5159.5000117.6
1110Y28Very low27Very low224 Ų224148 Ų14888%0.87878%0.784SS**  175.3114.3115-97.3-64.7000111.7
1111P26.9Very low26.6Very low109 Ų109148.6 Ų148.671%0.70879%0.793SS**  trans-105.2111.9171.434.3-24.7000111.2
1112Y24.7Very low26.5Very low226 Ų226148.2 Ų148.289%0.88680%0.796SS**  trans-155.2117154.4-114.4-71000114K1114Y1112-K1114 PolarHBondContact O-N 3.38Å
1113S20.1Very low26Very low109 Ų109150 Ų15076%0.76280%0.8SS**  trans-73.8115.4165.953.10000111
1114K25.8Very low25.5Very low194 Ų194150 Ų15084%0.84380%0.796SS**  trans-171.599157.4-113175.5-175.7-179.30111.6Y1112Y1112-K1114 PolarHBondContact O-N 3.38Å
1115L25.9Very low25.2Very low170 Ų170149.4 Ų149.489%0.8979%0.793SS**  trans-172.186143.9-106.3153.9000109.6
1116Q19.9Very low25Very low175 Ų175149.8 Ų149.882%0.81879%0.793SS**  trans-97148.7162-149.1175.321.400106.8
1117Q24.1Very low24.6Very low159 Ų159148 Ų14874%0.74379%0.79SS**  trans73.191.9173.8-50.117712.100117.3
1118V28.5Very low24.6Very low145 Ų145150.4 Ų150.488%0.87979%0.789SS**  trans-126.6114.2130.2177.80000107.6
1119T22Very low24.4Very low104 Ų104147.3 Ų147.364%0.63878%0.783SS**  trans-92.1133.6-176.3-160000110.1
1120T22.4Very low24.4Very low129 Ų129146.9 Ų146.979%0.79179%0.789SS**  trans41.793.2146.653.80000119.4
1121S23.2Very low24.2Very low114 Ų114144.7 Ų144.780%0.79779%0.791SS**  trans-172.370.4145.361.90000115.4
1122V27.6Very low24.1Very low145 Ų145145 Ų14588%0.87979%0.791SS**  trans-141.182.6152.6-169.30000109.4
1123L21.3Very low24Very low159 Ų159142.1 Ų142.183%0.83279%0.79SS**  trans-107106.1163.3-175.278.3000107
1124N22.4Very low24.1Very low120 Ų120143.7 Ų143.764%0.64279%0.79SS**  trans149.3154.4152.3-76.7-23.9000112.3
1125H24.9Very low23.9Very low168 Ų168139.8 Ų139.878%0.77879%0.787SS**  trans78.863.6168-47.5-52.2000119
1126I24.6Very low23.8Very low165 Ų165138.2 Ų138.285%0.84678%0.779SS**  trans-125.7101.2133.5-58.4-177.4000108.3V1128I1126-V1128 PolarHBondContact O-N 3.17Å
1127T22.3Very low23.9Very low122 Ų122136 Ų13675%0.74878%0.777SS**PPolyproline II helixtrans-72.4117.2174.9-56.70000109.2P1129T1127-P1129 WeakPolarHBondContact O-CD 3.48Å
1128V23.9Very low24Very low126 Ų126136.6 Ų136.676%0.76478%0.78SS**PPolyproline II helixtrans-75.7122.9174.3-176.70000109I1126I1126-V1128 PolarHBondContact O-N 3.17Å
1129P26.8Very low23.7Very low102 Ų102134.6 Ų134.666%0.66277%0.772SS**PPolyproline II helixtrans-65.4144.1179.4-21.433.6000112.3T1127 L1131T1127-P1129 WeakPolarHBondContact O-CD 3.48Å; P1129-L1131 PolarHBondContact O-N 3.42Å; P1129-L1131 VanDerWaalsContact O-N 3.14Å
1130P26.6Very low23.7Very low120 Ų120135.4 Ų135.478%0.77978%0.782SS**  trans-72.7107.3176.829.4-33.1000110.4V1132P1130-V1132 PolarHBondContact O-N 3.26Å; P1130-V1132 VanDerWaalsContact O-N 3.08Å
1131L24.6Very low23.8Very low178 Ų178138 Ų13893%0.93279%0.785SS**  trans-68.3106.1170.4-95.3163.8000109.8P1129 L1133P1129-L1131 PolarHBondContact O-N 3.42Å; P1129-L1131 VanDerWaalsContact O-N 3.14Å; L1131-L1133 PolarHBondContact O-N 3.03Å
1132V24.4Very low23.9Very low114 Ų114139.1 Ų139.169%0.69178%0.778SS**  trans-62124.7179174.40000109.9P1130 N1134P1130-V1132 PolarHBondContact O-N 3.26Å; P1130-V1132 VanDerWaalsContact O-N 3.08Å; V1132-N1134 VanDerWaalsContact C-N 3.27Å; V1132-N1134 PolarHBondContact O-N 2.8Å
1133L21.9Very low23.7Very low167 Ų167136 Ų13687%0.87477%0.774SS**  trans-72.278.2176.8-172.473.2000110.4L1131 S1135L1131-L1133 PolarHBondContact O-N 3.03Å; L1133-S1135 PolarHBondContact O-N 3.45Å
1134N23.8Very low23.9Very low142 Ų142135.9 Ų135.976%0.75977%0.767SS**  trans-71.797.9173.6-93.3-4.9000110.4V1132 L1136V1132-N1134 VanDerWaalsContact C-N 3.27Å; V1132-N1134 PolarHBondContact O-N 2.8Å; N1134-L1136 VanDerWaalsContact C-N 3.31Å; N1134-L1136 PolarHBondContact O-N 2.88Å
1135S21.4Very low23.8Very low112 Ų112136.1 Ų136.178%0.78378%0.777SS**  trans-68.782.517053.90000110.9L1133 T1137L1133-S1135 PolarHBondContact O-N 3.45Å; S1135-T1137 PolarHBondContact O-N 2.89Å
1136L23.3Very low23.8Very low137 Ų137136.1 Ų136.172%0.71778%0.781SS**  trans-81.1109.2174.8-166.766.5000110.3N1134 H1138N1134-L1136 VanDerWaalsContact C-N 3.31Å; N1134-L1136 PolarHBondContact O-N 2.88Å; L1136-H1138 PolarHBondContact O-N 2.94Å; L1136-H1138 VanDerWaalsContact O-N 3.16Å
1137T22.6Very low23.8Very low129 Ų129133.4 Ų133.479%0.79178%0.777SS**  trans-68.3104.7176.4440000111.4S1135 S1139S1135-T1137 PolarHBondContact O-N 2.89Å; T1137-S1139 PolarHBondContact O-N 2.78Å
1138H25.8Very low23.8Very low170 Ų170134.6 Ų134.679%0.78778%0.784SS**  trans-80.3116.2162.3-78.5-68.8000110.6L1136 S1140L1136-H1138 PolarHBondContact O-N 2.94Å; L1136-H1138 VanDerWaalsContact O-N 3.16Å; H1138-S1140 PolarHBondContact O-N 2.83Å
1139S21.8Very low23.7Very low103 Ų103133.6 Ų133.672%0.7278%0.783SS**  trans-65.3121.3176.837.60000111.4T1137 Q1141T1137-S1139 PolarHBondContact O-N 2.78Å; S1139-Q1141 VanDerWaalsContact C-N 3.3Å; S1139-Q1141 PolarHBondContact O-N 2.94Å
1140S21.9Very low23.4Very low121 Ų121133.9 Ų133.985%0.84679%0.786SS**  trans-68.986.3164.7167.60000109.5H1138 E1142H1138-S1140 PolarHBondContact O-N 2.83Å; S1140-E1142 PolarHBondContact O-N 2.67Å
1141Q25.4Very low23.2Very low183 Ų183135 Ų13586%0.85578%0.784SS**  trans-79.8120.6177.8-156165.712.800110.5S1139 G1143S1139-Q1141 VanDerWaalsContact C-N 3.3Å; S1139-Q1141 PolarHBondContact O-N 2.94Å; Q1141-G1143 PolarHBondContact O-N 2.86Å; Q1141-G1143 VanDerWaalsContact O-N 3.11Å
1142E24.2Very low23.1Very low139 Ų139134.4 Ų134.465%0.6578%0.781SS**  trans-67.4105.8-170.9-61.6-176.5149.200112.9S1140 K1144S1140-E1142 PolarHBondContact O-N 2.67Å; E1142-K1144 PolarHBondContact O-N 2.95Å; E1142-K1144 IonicContact OE2-NZ 3.84Å; E1142-K1144 PolarHBondContact OE2-NZ 3.42Å
1143G23.8Very low23Very low78 Ų78133.9 Ų133.980%0.80478%0.779SS**  trans-69.671.8165.700000112.4Q1141 C1145Q1141-G1143 PolarHBondContact O-N 2.86Å; Q1141-G1143 VanDerWaalsContact O-N 3.11Å; G1143-C1145 PolarHBondContact O-N 3.23Å
1144K25.1Very low23.1Very low157 Ų157132.4 Ų132.468%0.68377%0.773SS**PPolyproline II helixtrans-64.6117.5174.9-88.1179.4171.51080110.6E1142 I1146E1142-K1144 PolarHBondContact O-N 2.95Å; E1142-K1144 IonicContact OE2-NZ 3.84Å; E1142-K1144 PolarHBondContact OE2-NZ 3.42Å; K1144-I1146 PolarHBondContact O-N 3.42Å
1145C19.9Very low23.2Very low126 Ų126133.6 Ų133.685%0.85178%0.779SS**PPolyproline II helixtrans-63.8117.4168.9-65.80000109.8G1143G1143-C1145 PolarHBondContact O-N 3.23Å
1146I26.6Very low23.2Very low168 Ų168135.2 Ų135.286%0.86278%0.777SS**PPolyproline II helixtrans-87.3133.6172.6-51.5-179.8000108.4K1144K1144-I1146 PolarHBondContact O-N 3.42Å
1147S22.8Very low23.2Very low107 Ų107136.4 Ų136.475%0.74878%0.784SS**PPolyproline II helixtrans-76.8148.3-164.8-62.50000114S1149S1147-S1149 PolarHBondContact O-N 2.91Å
1148T22.8Very low23.3Very low147 Ų147134.3 Ų134.390%0.90277%0.773SS**PPolyproline II helixtrans-71.4119168.742.40000112.6
1149S22.2Very low23.2Very low106 Ų106133 Ų13374%0.74177%0.771SS**  trans-166.914915762.60000108.5S1147S1147-S1149 PolarHBondContact O-N 2.91Å
1150C21Very low23.6Very low107 Ų107137.5 Ų137.572%0.72378%0.778SS**  cis-175135.2-13.6-101.80000103.5
1151I21.8Very low23.6Very low143 Ų143141 Ų14173%0.73378%0.778SS**  trans57.4107.3149.4-48.7164.5000117.6
1152L23.3Very low24Very low167 Ų167139.7 Ų139.787%0.87478%0.777SS**  -157.8105.9125-140.178.8000111.7
1153P21.7Very low24.1Very low102 Ų102142 Ų14266%0.66279%0.787SS**  trans-95112.3166.333-25.4000109.5
1154N23Very low24Very low137 Ų137145.3 Ų145.373%0.73379%0.786SS**  trans-178.7107.4155.3-95.2-21.6000109.5
1155N25.9Very low24.2Very low167 Ų167143.4 Ų143.489%0.89379%0.79SS**  -163119.4118.9-98.3-21.8000110.3
1156I22.3Very low24.3Very low145 Ų145145.5 Ų145.574%0.74479%0.787SS**  trans-75.7126.3175.6-70.4156.3000107.4P1158I1156-P1158 HydrophobicContact CG2-CG 4.09Å
1157N24Very low24.5Very low163 Ų163142.4 Ų142.487%0.87278%0.78SS**  trans-136.894.3162.8-15512.4000108.7
1158P23.7Very low24.5Very low84 Ų84143.2 Ų143.255%0.54578%0.781SS.*  trans-93.5173.6179.736.9-27.2000110.7I1156I1156-P1158 HydrophobicContact CG2-CG 4.09Å
1159D24.6Very low25Very low142 Ų142143 Ų14376%0.75977%0.774SS**  trans6099.7169.8-62.1-31.6000117.3
1160K30.5Very low25.1Very low199 Ų199147 Ų14787%0.86578%0.781SS**  -153124.6102.6-101.4158.1-172.8-1760111.3
1161K21.7Very low25.4Very low195 Ų195148.8 Ų148.885%0.84878%0.783SS**  trans-88.2131159-65.6173.5178174.90106.5
1162D32.6Very low25.4Very low154 Ų154147.3 Ų147.382%0.82478%0.78SS**  trans-145.2154.2156-86.2-51.9000109.1
1163H25.8Very low25.5Very low187 Ų187148.1 Ų148.187%0.86678%0.777SS**  trans-90.2157-164.7-80.3-76000114.3
1164L23.6Very low25.5Very low148 Ų148150.8 Ų150.878%0.77578%0.781SS**  trans-18.3138.9144-149.851.7000112.5
1165P28.5Very low25.9Very low118 Ų118151.5 Ų151.577%0.76678%0.784SS**  -144.3159.260.739.1-19.4000121
1166E22.8Very low26.1Very low170 Ų170152 Ų15279%0.79478%0.782SS**  trans-41.9125.5162.2-167.9166.8-142.900114.1
1167S29.4Very low26.2Very low103 Ų103152.2 Ų152.272%0.7278%0.784SS**  trans-128.1110.6167.759.50000109.7
1168T24.3Very low26.6Very low123 Ų123151.9 Ų151.976%0.75578%0.782SS**  trans-87.6105.8175.147.50000110.3
1169D31.8Very low26.8Very low143 Ų143155.1 Ų155.177%0.76579%0.79SS**  trans-108.699.8166.2-76.1-38.7000109.6L1171D1169-L1171 PolarHBondContact O-N 3.17Å
1170E24Very low27.2Very low190 Ų190155.5 Ų155.589%0.88879%0.792SS**  trans-75108164.4-71.7-177.1139.500108.8
1171L28Very low27.1Very low144 Ų144152.9 Ų152.975%0.75479%0.787SS**  trans-111.499.8167.8-91.7161.8000109.8D1169 F1173D1169-L1171 PolarHBondContact O-N 3.17Å; L1171-F1173 HydrophobicContact CD2-CE2 4.12Å
1172T21.3Very low27.5Very low112 Ų112150.5 Ų150.569%0.68778%0.784SS**  trans-82.6124172.9-48.90000109.8
1173F25.9Very low27.5Very low184 Ų184148.7 Ų148.781%0.80778%0.781SS**  trans-129.9132.2159.8-82.9-80.6000109.4L1171L1171-F1173 HydrophobicContact CD2-CE2 4.12Å
1174H22.2Very low27.8Very low159 Ų159146.9 Ų146.974%0.73678%0.777SS**  trans-89.3-173166.9-81.9-75.1000109.5
1175D30.5Very low28.2Very low151 Ų151149 Ų14981%0.80778%0.783SS**  trans81.4134.8-177.1-48.2-25.5000113.3
1176E30.5Very low28.2Very low179 Ų179151.9 Ų151.984%0.83679%0.787SS**  cis-146.8168.6-0.5-133175.7-173.200110.5
1177N25.3Very low28.6Very low149 Ų149152.8 Ų152.880%0.79779%0.791SS**  trans-75.4140.1177.5-59.6-77.7000110.5
1178D32.2Very low28.6Very low156 Ų156158.1 Ų158.183%0.83480%0.796SS**  trans-138.8127151-138.4-14000111.4
1179H27Very low29Very low151 Ų151160.5 Ų160.570%0.69980%0.799SS**  trans-88.8108.9-176.9-79-71.7000109.9
1180N33.1Very low28.9Very low151 Ų151161 Ų16181%0.80780%0.802SS**  trans-122.9108.7154.6-80.7-61.4000109.5D1182N1180-D1182 PolarHBondContact O-N 3.48Å
1181N28Very low29.2Very low144 Ų144160.3 Ų160.377%0.7780%0.796SS**  trans-83.2105.2170.9-57.4-72.8000107.6
1182D31.6Very low29.4Very low145 Ų145159 Ų15978%0.77580%0.796SS**  trans-112.8116.9150.7-109-36.2000107.4N1180 D1184N1180-D1182 PolarHBondContact O-N 3.48Å; D1182-D1184 VanDerWaalsContact C-N 3.32Å; D1182-D1184 PolarHBondContact O-N 3.32Å
1183P31.1Very low29.8Very low116 Ų116161.2 Ų161.275%0.75380%0.802SS**  trans-80.982.917832.7-32.2000109.2E1185P1183-E1185 PolarHBondContact O-N 3.49Å
1184D33.3Very low30Very low149 Ų149161.6 Ų161.680%0.79781%0.806SS**  trans-49.8127.9172.6-83.3-36.9000110.6D1182 Q1186D1182-D1184 VanDerWaalsContact C-N 3.32Å; D1182-D1184 PolarHBondContact O-N 3.32Å; D1184-Q1186 PolarHBondContact O-N 3.42Å; D1184-Q1186 VanDerWaalsContact O-N 3.1Å
1185E30.9Very low30.6Very low193 Ų193161.5 Ų161.590%0.90281%0.81SS**  trans-59.7113.7-174.6-62.7-17614100110.2P1183 E1187P1183-E1185 PolarHBondContact O-N 3.49Å; E1185-E1187 VanDerWaalsContact C-N 3.29Å; E1185-E1187 PolarHBondContact O-N 3.01Å
1186Q30Very low31.1Very low178 Ų178159.9 Ų159.983%0.83280%0.802SS**  trans-71.890.4172.7-72.2-167.91.400109.8D1184 Y1188D1184-Q1186 PolarHBondContact O-N 3.42Å; D1184-Q1186 VanDerWaalsContact O-N 3.1Å; Q1186-Y1188 WeakPolarHBondContact O-CD2 3.42Å; Q1186-Y1188 PolarHBondContact O-N 2.94Å; Q1186-Y1188 VanDerWaalsContact O-N 3.08Å
1187E29.6Very low31.7Very low189 Ų189155.9 Ų155.988%0.88379%0.794SS**  trans-50.1112.3164.7-129.4-176.6174.300108.7E1185 E1189E1185-E1187 VanDerWaalsContact C-N 3.29Å; E1185-E1187 PolarHBondContact O-N 3.01Å; E1187-E1189 PolarHBondContact O-N 3.44Å
1188Y30.3Very low32.6Very low214 Ų214153.5 Ų153.584%0.83978%0.781SS**  trans-68.8100.1178-89.3-104.4000108.9Q1186 N1190Q1186-Y1188 WeakPolarHBondContact O-CD2 3.42Å; Q1186-Y1188 PolarHBondContact O-N 2.94Å; Q1186-Y1188 VanDerWaalsContact O-N 3.08Å; Y1188-N1190 VanDerWaalsContact C-N 3.31Å; Y1188-N1190 PolarHBondContact O-N 3.15Å
1189E31.5Very low33.5Very low174 Ų174151 Ų15181%0.81377%0.768SS**  trans-55.195.4166-89.3-160.7142.300109.6E1187 K1191E1187-E1189 PolarHBondContact O-N 3.44Å; E1189-K1191 VanDerWaalsContact C-N 3.27Å; E1189-K1191 PolarHBondContact O-N 3.32Å
1190N31Very low34.8Very low154 Ų154147.5 Ų147.582%0.82475%0.754SS**  trans-6591167.4-87.5-44.3000108.3Y1188 P1192Y1188-N1190 VanDerWaalsContact C-N 3.31Å; Y1188-N1190 PolarHBondContact O-N 3.15Å; N1190-P1192 VanDerWaalsContact O-N 3.16Å
1191K30.5Very low36.2Very low175 Ų175143.5 Ų143.576%0.76173%0.733SS**  trans-52.4123.2178.5-73.7-173.1176.9178.30109.5E1189 I1193E1189-K1191 VanDerWaalsContact C-N 3.27Å; E1189-K1191 PolarHBondContact O-N 3.32Å; K1191-I1193 PolarHBondContact O-N 2.93Å
1192P31.6Very low38.1Very low117 Ų117139.2 Ų139.276%0.7671%0.712SS**  trans-61.7129-174.423.1-33.2000110N1190 Q1194N1190-P1192 VanDerWaalsContact O-N 3.16Å; P1192-Q1194 PolarHBondContact O-N 3.5Å
1193I29.7Very low39.8Very low157 Ų157133.2 Ų133.281%0.80568%0.679SS**  trans-53.5114.8177.4-62.4169.1000108.1K1191 L1195K1191-I1193 PolarHBondContact O-N 2.93Å; I1193-L1195 VanDerWaalsContact C-N 3.28Å; I1193-L1195 PolarHBondContact O-N 3.47Å
1194Q30.3Very low41.7Very low193 Ų193135 Ų13590%0.90267%0.671SS**  trans-6987.5174.7-75-172.8-7.100109.1P1192 D1196P1192-Q1194 PolarHBondContact O-N 3.5Å; Q1194-D1196 PolarHBondContact O-N 2.86Å
1195L35.2Very low43.8Very low157 Ų157132.3 Ų132.382%0.82266%0.657SS**  trans-72128.5173-150.778.8000109.5I1193 S1197I1193-L1195 VanDerWaalsContact C-N 3.28Å; I1193-L1195 PolarHBondContact O-N 3.47Å; L1195-S1197 PolarHBondContact O-N 2.79Å
1196D40Very low46.2Very low117 Ų117129.3 Ų129.363%0.62664%0.637SS**  trans-53.1105.7-167.7-121.5-40.2000114.2Q1194 N1198Q1194-D1196 PolarHBondContact O-N 2.86Å; D1196-N1198 PolarHBondContact O-N 3.06Å; D1196-N1198 VanDerWaalsContact O-N 3.11Å; D1196-N1198 PolarHBondContact OD1-ND2 3.4Å
1197S43Very low48.7Very low95 Ų95122.7 Ų122.766%0.66461%0.612SS**THydrogen-bonded Turntrans-65.2-13.2175.860.50000113.2L1195 N1199 D1200L1195-S1197 PolarHBondContact O-N 2.79Å; S1197-N1199 PolarHBondContact O-N 2.79Å; S1197-N1199 VanDerWaalsContact O-N 3.11Å; S1197-D1200 PolarHBondContact O-N 2.85Å
1198N45.7Very low51.2Low98 Ų98116.5 Ų116.552%0.52459%0.59SS.*Hα-helixtrans-57.4-22.5179.1-75.9-47.8000114.7D1196 T1202D1196-N1198 PolarHBondContact O-N 3.06Å; D1196-N1198 VanDerWaalsContact O-N 3.11Å; D1196-N1198 PolarHBondContact OD1-ND2 3.4Å; N1198-T1202 WeakPolarHBondContact O-CB 3.41Å; N1198-T1202 PolarHBondContact O-N 3.16Å; N1198-T1202 PolarHBondContact O-OG1 3.2Å
1199N50.2Low53.9Low105 Ų105110.9 Ų110.956%0.56157%0.574SS**Hα-helixtrans-73.3-39.7-176.1-137.4-11.9000112.6S1197 T1202 I1203S1197-N1199 PolarHBondContact O-N 2.79Å; S1197-N1199 VanDerWaalsContact O-N 3.11Å; N1199-T1202 PolarHBondContact O-N 2.89Å; N1199-I1203 PolarHBondContact O-N 3.08Å; N1199-I1203 VanDerWaalsContact O-N 3.14Å
1200D55.1Low56.6Low77 Ų77103.3 Ų103.341%0.41254%0.539SS..Hα-helixtrans-66-42.8176.8-101.6-3000111.4S1197 T1202 I1203 R1204 L1240S1197-D1200 PolarHBondContact O-N 2.85Å; D1200-T1202 VanDerWaalsContact C-N 3.34Å; D1200-I1203 PolarHBondContact O-N 2.85Å; D1200-R1204 WeakPolarHBondContact O-CB 3.36Å; D1200-R1204 PolarHBondContact O-N 3.28Å; D1200-L1240 WeakPolarHBondContact OD1-CD1 3.44Å
1201D61.8Low59.2Low67 Ų6798.5 Ų98.536%0.35852%0.521SS..Hα-helixtrans-66.8-35.4175.8-84.5-22.7000112.1I1203 R1204 N1205D1201-I1203 PolarHBondContact O-N 3.45Å; D1201-R1204 PolarHBondContact O-N 3.28Å; D1201-R1204 IonicContact OD1-CZ 3.35Å; D1201-R1204 VanDerWaalsContact OD1-CZ 3.24Å; D1201-R1204 IonicContact OD1-NE 2.59Å; D1201-R1204 IonicContact OD1-NH1 3.84Å; D1201-R1204 PolarHBondContact OD1-NH1 3.04Å; D1201-R1204 IonicContact OD1-NH2 2.92Å; D1201-N1205 WeakPolarHBondContact O-CB 3.2Å; D1201-N1205 PolarHBondContact O-N 3.39Å; D1201-N1205 PolarHBondContact O-ND2 3.4Å; D1201-N1205 VanDerWaalsContact O-ND2 3.1Å
1202T66.8Low62Low54 Ų5494.9 Ų94.933%0.33151%0.51SS..Hα-helixtrans-61.8-42.1174.1-63.40000111.9N1198 N1199 D1200 R1206N1198-T1202 WeakPolarHBondContact O-CB 3.41Å; N1198-T1202 PolarHBondContact O-N 3.16Å; N1198-T1202 PolarHBondContact O-OG1 3.2Å; N1199-T1202 PolarHBondContact O-N 2.89Å; D1200-T1202 VanDerWaalsContact C-N 3.34Å; T1202-R1206 VanDerWaalsContact O-CG 3.25Å; T1202-R1206 WeakPolarHBondContact O-CG 3.37Å; T1202-R1206 PolarHBondContact O-N 3.19Å; T1202-R1206 VanDerWaalsContact O-N 3.11Å
1203I67.6Low65.1Low19 Ų1992 Ų9210%0.09749%0.487CS..Hα-helixtrans-70.5-43.1177.1-65.9168.4000110.9N1199 D1200 D1201 N1205 R1206 A1207 N1236 Q1237 L1240N1199-I1203 PolarHBondContact O-N 3.08Å; N1199-I1203 VanDerWaalsContact O-N 3.14Å; D1200-I1203 PolarHBondContact O-N 2.85Å; D1201-I1203 PolarHBondContact O-N 3.45Å; I1203-N1205 VanDerWaalsContact C-N 3.34Å; I1203-N1205 PolarHBondContact O-N 2.94Å; I1203-R1206 PolarHBondContact O-N 3.25Å; I1203-A1207 PolarHBondContact O-N 2.93Å; I1203-N1236 HydrophobicContact CD1-CB 4.09Å; I1203-N1236 HydrophobicContact CG1-CB 4.47Å; I1203-Q1237 HydrophobicContact CG2-CG 4.44Å; I1203-L1240 HydrophobicContact CD1-CD1 3.54Å
1204R72.5Confident68.1Low153 Ų15387 Ų8758%0.57746%0.461SS*.Hα-helixtrans-59.9-43.4177.2-165.5-176.7-57.6152.51.9111.7D1200 D1201 A1207 S1208D1200-R1204 WeakPolarHBondContact O-CB 3.36Å; D1200-R1204 PolarHBondContact O-N 3.28Å; D1201-R1204 PolarHBondContact O-N 3.28Å; D1201-R1204 IonicContact OD1-CZ 3.35Å; D1201-R1204 VanDerWaalsContact OD1-CZ 3.24Å; D1201-R1204 IonicContact OD1-NE 2.59Å; D1201-R1204 IonicContact OD1-NH1 3.84Å; D1201-R1204 PolarHBondContact OD1-NH1 3.04Å; D1201-R1204 IonicContact OD1-NH2 2.92Å; R1204-A1207 PolarHBondContact O-N 3.19Å; R1204-S1208 PolarHBondContact O-N 2.72Å
1205N77.3Confident70.9Confident93 Ų9382 Ų8250%0.49745%0.453SS..Hα-helixtrans-64.5-42.7175.6-75-30.5000112.1D1201 I1203 A1207 S1208 I1209D1201-N1205 WeakPolarHBondContact O-CB 3.2Å; D1201-N1205 PolarHBondContact O-N 3.39Å; D1201-N1205 PolarHBondContact O-ND2 3.4Å; D1201-N1205 VanDerWaalsContact O-ND2 3.1Å; I1203-N1205 VanDerWaalsContact C-N 3.34Å; I1203-N1205 PolarHBondContact O-N 2.94Å; N1205-A1207 PolarHBondContact O-N 2.95Å; N1205-S1208 WeakPolarHBondContact O-CB 3.46Å; N1205-S1208 PolarHBondContact O-N 3.48Å; N1205-I1209 WeakPolarHBondContact O-CD1 3.4Å; N1205-I1209 VanDerWaalsContact O-CG1 3.27Å; N1205-I1209 WeakPolarHBondContact O-CG1 3.45Å; N1205-I1209 PolarHBondContact O-N 3.32Å
1206R80.3Confident73.6Confident130 Ų13077.8 Ų77.849%0.49144%0.436SS..Hα-helixtrans-61.1-42.9175.1-72.6170-173.5-172.75.9112.1T1202 I1203 I1209 I1210T1202-R1206 VanDerWaalsContact O-CG 3.25Å; T1202-R1206 WeakPolarHBondContact O-CG 3.37Å; T1202-R1206 PolarHBondContact O-N 3.19Å; T1202-R1206 VanDerWaalsContact O-N 3.11Å; I1203-R1206 PolarHBondContact O-N 3.25Å; R1206-I1209 PolarHBondContact O-N 3.23Å; R1206-I1210 PolarHBondContact O-N 3.04Å; R1206-I1210 VanDerWaalsContact O-N 3.15Å
1207A82.6Confident75.9Confident38 Ų3875.1 Ų75.131%0.31444%0.436SS..Hα-helixtrans-62.7-43.6175.700000112.5I1203 R1204 N1205 I1210 A1211 I1233I1203-A1207 PolarHBondContact O-N 2.93Å; R1204-A1207 PolarHBondContact O-N 3.19Å; N1205-A1207 PolarHBondContact O-N 2.95Å; A1207-I1210 PolarHBondContact O-N 3.24Å; A1207-A1211 WeakPolarHBondContact O-CB 3.32Å; A1207-A1211 PolarHBondContact O-N 3.4Å; A1207-I1233 HydrophobicContact CB-CD1 4.08Å
1208S82.5Confident78.1Confident59 Ų5980.9 Ų80.941%0.41344%0.444SS..Hα-helixtrans-57.6-48173.8172.60000112.5R1204 N1205 I1210 A1211 N1212R1204-S1208 PolarHBondContact O-N 2.72Å; N1205-S1208 WeakPolarHBondContact O-CB 3.46Å; N1205-S1208 PolarHBondContact O-N 3.48Å; S1208-I1210 VanDerWaalsContact C-N 3.35Å; S1208-I1210 PolarHBondContact O-N 3.1Å; S1208-A1211 PolarHBondContact O-N 3.01Å; S1208-N1212 WeakPolarHBondContact O-CB 3.4Å; S1208-N1212 VanDerWaalsContact O-CG 3.31Å; S1208-N1212 PolarHBondContact O-N 3.4Å; S1208-N1212 PolarHBondContact O-ND2 3.1Å
1209I87.3Confident80.4Confident96 Ų9677 Ų7749%0.49242%0.423SS..Hα-helixtrans-59.7-44.3179.5-68.5162.1000111.1N1205 R1206 N1212 M1213N1205-I1209 WeakPolarHBondContact O-CD1 3.4Å; N1205-I1209 VanDerWaalsContact O-CG1 3.27Å; N1205-I1209 WeakPolarHBondContact O-CG1 3.45Å; N1205-I1209 PolarHBondContact O-N 3.32Å; R1206-I1209 PolarHBondContact O-N 3.23Å; I1209-N1212 PolarHBondContact O-N 2.92Å; I1209-M1213 HydrophobicContact CG2-CE 4.17Å; I1209-M1213 WeakPolarHBondContact O-CG 3.45Å; I1209-M1213 PolarHBondContact O-N 3.27Å
1210I88Confident82.3Confident15 Ų1576.4 Ų76.48%0.07742%0.42CS..Hα-helixtrans-68.5-40.1179.6-72.8153.9000111.7R1206 A1207 S1208 N1212 M1213 L1214 L1219 L1229 I1233R1206-I1210 PolarHBondContact O-N 3.04Å; R1206-I1210 VanDerWaalsContact O-N 3.15Å; A1207-I1210 PolarHBondContact O-N 3.24Å; S1208-I1210 VanDerWaalsContact C-N 3.35Å; S1208-I1210 PolarHBondContact O-N 3.1Å; I1210-N1212 VanDerWaalsContact C-N 3.32Å; I1210-N1212 PolarHBondContact O-N 2.9Å; I1210-M1213 HydrophobicContact CB-CE 4.39Å; I1210-M1213 HydrophobicContact CG1-CE 3.72Å; I1210-M1213 PolarHBondContact O-N 2.9Å; I1210-L1214 HydrophobicContact CG2-CD1 4.14Å; I1210-L1214 WeakPolarHBondContact O-CG 3.49Å; I1210-L1214 PolarHBondContact O-N 3.19Å; I1210-L1219 HydrophobicContact CG2-CD2 4.45Å; I1210-L1229 HydrophobicContact CD1-CB 3.76Å; I1210-L1229 HydrophobicContact CD1-CD2 4.22Å; I1210-L1229 HydrophobicContact CD1-CG 4.4Å; I1210-L1229 HydrophobicContact CG1-CB 4.2Å; I1210-L1229 HydrophobicContact CG1-CD1 4.3Å; I1210-I1233 HydrophobicContact CD1-CD1 3.51Å; I1210-I1233 HydrophobicContact CD1-CG1 4.29Å
1211A85.2Confident83.7Confident54 Ų5482.6 Ų82.645%0.44644%0.437SS..Hα-helixtrans-59.1-43172.500000111.9A1207 S1208 L1214 A1215A1207-A1211 WeakPolarHBondContact O-CB 3.32Å; A1207-A1211 PolarHBondContact O-N 3.4Å; S1208-A1211 PolarHBondContact O-N 3.01Å; A1211-L1214 PolarHBondContact O-N 3.3Å; A1211-A1215 WeakPolarHBondContact O-CB 3.49Å; A1211-A1215 PolarHBondContact O-N 2.99Å
1212N90.5Very high85Confident99 Ų9986.4 Ų86.453%0.52946%0.458SS..Hα-helixtrans-67.4-36.1177.3-70.9-29.9000112.9S1208 I1209 I1210 S1216S1208-N1212 WeakPolarHBondContact O-CB 3.4Å; S1208-N1212 VanDerWaalsContact O-CG 3.31Å; S1208-N1212 PolarHBondContact O-N 3.4Å; S1208-N1212 PolarHBondContact O-ND2 3.1Å; I1209-N1212 PolarHBondContact O-N 2.92Å; I1210-N1212 VanDerWaalsContact C-N 3.32Å; I1210-N1212 PolarHBondContact O-N 2.9Å; N1212-S1216 VanDerWaalsContact O-CB 3.3Å; N1212-S1216 WeakPolarHBondContact O-CB 3.45Å; N1212-S1216 PolarHBondContact O-N 3.37Å; N1212-S1216 PolarHBondContact O-OG 2.99Å
1213M95.1Very high86.1Confident57 Ų5785.4 Ų85.428%0.28145%0.453SS..Hα-helixtrans-67.2-38.5174.1-70.6-170.2-62.800112.5I1209 I1210 S1216 G1217 R1218 L1219 L1229I1209-M1213 HydrophobicContact CG2-CE 4.17Å; I1209-M1213 WeakPolarHBondContact O-CG 3.45Å; I1209-M1213 PolarHBondContact O-N 3.27Å; I1210-M1213 HydrophobicContact CB-CE 4.39Å; I1210-M1213 HydrophobicContact CG1-CE 3.72Å; I1210-M1213 PolarHBondContact O-N 2.9Å; M1213-S1216 PolarHBondContact O-OG 3.4Å; M1213-G1217 PolarHBondContact O-N 2.87Å; M1213-R1218 PolarHBondContact O-N 3.27Å; M1213-L1219 HydrophobicContact CB-CB 3.74Å; M1213-L1219 HydrophobicContact CB-CD2 4.32Å; M1213-L1219 HydrophobicContact CE-CD2 4.22Å; M1213-L1219 PolarHBondContact O-N 2.9Å; M1213-L1229 HydrophobicContact CE-CD1 4.16Å
1214L92.4Very high87.1Confident51 Ų5193.2 Ų93.227%0.26748%0.481SS..Hα-helixtrans-66.9-46174.1-69.3167.1000111.3I1210 A1211 S1216 G1217 L1219 R1221 A1226I1210-L1214 HydrophobicContact CG2-CD1 4.14Å; I1210-L1214 WeakPolarHBondContact O-CG 3.49Å; I1210-L1214 PolarHBondContact O-N 3.19Å; A1211-L1214 PolarHBondContact O-N 3.3Å; L1214-S1216 PolarHBondContact O-N 3.3Å; L1214-G1217 PolarHBondContact O-N 2.79Å; L1214-L1219 HydrophobicContact CD2-CB 4.39Å; L1214-L1219 HydrophobicContact CD2-CD2 4.07Å; L1214-L1219 HydrophobicContact CD2-CG 4.09Å; L1214-L1219 HydrophobicContact CG-CD2 4.21Å; L1214-R1221 HydrophobicContact CD2-CB 4.02Å; L1214-R1221 HydrophobicContact CD2-CG 4.32Å; L1214-A1226 HydrophobicContact CD2-CB 4.33Å
1215A89.5Confident87.9Confident88 Ų8888.4 Ų88.473%0.72747%0.474SS*.Hα-helixtrans-67.1-33-179.200000113.4A1211 G1217A1211-A1215 WeakPolarHBondContact O-CB 3.49Å; A1211-A1215 PolarHBondContact O-N 2.99Å; A1215-G1217 VanDerWaalsContact C-N 3.3Å
1216S93.1Very high88.5Confident68 Ų6884 Ų8448%0.47645%0.451SS..THydrogen-bonded Turntrans-83.50.5176.658.10000114.4N1212 M1213 L1214 R1218N1212-S1216 VanDerWaalsContact O-CB 3.3Å; N1212-S1216 WeakPolarHBondContact O-CB 3.45Å; N1212-S1216 PolarHBondContact O-N 3.37Å; N1212-S1216 PolarHBondContact O-OG 2.99Å; M1213-S1216 PolarHBondContact O-OG 3.4Å; L1214-S1216 PolarHBondContact O-N 3.3Å; S1216-R1218 PolarHBondContact O-N 2.99Å; S1216-R1218 VanDerWaalsContact O-N 3.15Å; S1216-R1218 WeakPolarHBondContact OG-CG 3.29Å
1217G87.9Confident88.8Confident61 Ų6183.2 Ų83.263%0.62945%0.452SS*.THydrogen-bonded Turntrans67.65.6-175.700000114.8M1213 L1214 A1215 L1219M1213-G1217 PolarHBondContact O-N 2.87Å; L1214-G1217 PolarHBondContact O-N 2.79Å; A1215-G1217 VanDerWaalsContact C-N 3.3Å; G1217-L1219 PolarHBondContact O-N 3.42Å
1218R89.8Confident89.1Confident216 Ų21685 Ų8582%0.81546%0.459SS*.SBendtrans-70.1-23.7176.3-70-178.3176.3-168.10.4112.7M1213 S1216M1213-R1218 PolarHBondContact O-N 3.27Å; S1216-R1218 PolarHBondContact O-N 2.99Å; S1216-R1218 VanDerWaalsContact O-N 3.15Å; S1216-R1218 WeakPolarHBondContact OG-CG 3.29Å
1219L92.2Very high89.5Confident18 Ų1884.9 Ų84.99%0.09445%0.454CS..SBendtrans-123.2115.7173.5-178.865.5000108.2I1210 M1213 L1214 G1217 R1221 A1225 A1226 L1229I1210-L1219 HydrophobicContact CG2-CD2 4.45Å; M1213-L1219 HydrophobicContact CB-CB 3.74Å; M1213-L1219 HydrophobicContact CB-CD2 4.32Å; M1213-L1219 HydrophobicContact CE-CD2 4.22Å; M1213-L1219 PolarHBondContact O-N 2.9Å; L1214-L1219 HydrophobicContact CD2-CB 4.39Å; L1214-L1219 HydrophobicContact CD2-CD2 4.07Å; L1214-L1219 HydrophobicContact CD2-CG 4.09Å; L1214-L1219 HydrophobicContact CG-CD2 4.21Å; G1217-L1219 PolarHBondContact O-N 3.42Å; L1219-R1221 PolarHBondContact O-N 3.05Å; L1219-A1225 HydrophobicContact CD1-CB 3.92Å; L1219-A1226 HydrophobicContact CD1-CB 4.2Å; L1219-A1226 HydrophobicContact CD2-CB 3.97Å; L1219-A1226 HydrophobicContact CG-CB 3.95Å; L1219-L1229 HydrophobicContact CD2-CD1 4.04Å
1220D90.3Very high89.4Confident92 Ų9284.1 Ų84.149%0.49245%0.45SS..  trans-67.2128171.6169.124.2000109.5N1222 S1223 A1226D1220-N1222 PolarHBondContact O-N 3.28Å; D1220-N1222 PolarHBondContact OD1-N 3.27Å; D1220-S1223 VanDerWaalsContact O-CB 3.25Å; D1220-S1223 WeakPolarHBondContact O-CB 3.41Å; D1220-S1223 PolarHBondContact O-N 3.31Å; D1220-S1223 PolarHBondContact O-OG 3.38Å; D1220-A1226 WeakPolarHBondContact O-CB 3.47Å
1221R86Confident89.2Confident207 Ų20786.7 Ų86.778%0.78147%0.466SS*.THydrogen-bonded Turntrans-61.1-25.5179-168.3173.1-173.8161.12.1112.9L1214 L1219L1214-R1221 HydrophobicContact CD2-CB 4.02Å; L1214-R1221 HydrophobicContact CD2-CG 4.32Å; L1219-R1221 PolarHBondContact O-N 3.05Å
1222N88.4Confident88.9Confident147 Ų14789.1 Ų89.179%0.78647%0.47SS*.THydrogen-bonded Turntrans-92.1-0.8176.9-61.4-34.5000113.1D1220D1220-N1222 PolarHBondContact O-N 3.28Å; D1220-N1222 PolarHBondContact OD1-N 3.27Å
1223S90.3Very high88.5Confident32 Ų3285.7 Ų85.722%0.22445%0.451CS..SBendtrans-75.8146179.673.90000112.4D1220 A1225 A1226 E1227D1220-S1223 VanDerWaalsContact O-CB 3.25Å; D1220-S1223 WeakPolarHBondContact O-CB 3.41Å; D1220-S1223 PolarHBondContact O-N 3.31Å; D1220-S1223 PolarHBondContact O-OG 3.38Å; S1223-A1225 PolarHBondContact O-N 3.45Å; S1223-A1225 VanDerWaalsContact O-N 3.15Å; S1223-A1226 WeakPolarHBondContact O-CB 3.48Å; S1223-A1226 PolarHBondContact O-N 2.81Å; S1223-A1226 PolarHBondContact OG-N 3.09Å; S1223-E1227 PolarHBondContact O-N 3.33Å
1224R88.5Confident87.5Confident183 Ų18386.1 Ų86.169%0.69146%0.46SS*.Hα-helixtrans-58.6-25.5171.7-171.8177178-165.7-2112.7V1228R1224-V1228 WeakPolarHBondContact O-CG2 3.42Å; R1224-V1228 PolarHBondContact O-N 3.34Å; R1224-V1228 VanDerWaalsContact O-N 3.12Å
1225A89.3Confident86.5Confident53 Ų5390 Ų9044%0.43847%0.474SS..Hα-helixtrans-67.3-42.3174.800000111.6L1219 S1223 L1229L1219-A1225 HydrophobicContact CD1-CB 3.92Å; S1223-A1225 PolarHBondContact O-N 3.45Å; S1223-A1225 VanDerWaalsContact O-N 3.15Å; A1225-L1229 WeakPolarHBondContact O-CB 3.46Å; A1225-L1229 VanDerWaalsContact O-CG 3.24Å; A1225-L1229 WeakPolarHBondContact O-CG 3.24Å; A1225-L1229 PolarHBondContact O-N 2.89Å
1226A89.1Confident85.1Confident0 Ų088.6 Ų88.60%046%0.455CS..Hα-helixtrans-63.6-44.5174.800000111.7L1214 L1219 D1220 S1223 V1228 L1229 I1230L1214-A1226 HydrophobicContact CD2-CB 4.33Å; L1219-A1226 HydrophobicContact CD1-CB 4.2Å; L1219-A1226 HydrophobicContact CD2-CB 3.97Å; L1219-A1226 HydrophobicContact CG-CB 3.95Å; D1220-A1226 WeakPolarHBondContact O-CB 3.47Å; S1223-A1226 WeakPolarHBondContact O-CB 3.48Å; S1223-A1226 PolarHBondContact O-N 2.81Å; S1223-A1226 PolarHBondContact OG-N 3.09Å; A1226-V1228 PolarHBondContact O-N 3.35Å; A1226-L1229 PolarHBondContact O-N 2.8Å; A1226-I1230 WeakPolarHBondContact O-CB 3.43Å; A1226-I1230 WeakPolarHBondContact O-CD1 3.37Å; A1226-I1230 VanDerWaalsContact O-CG1 3.24Å; A1226-I1230 WeakPolarHBondContact O-CG1 3.34Å; A1226-I1230 PolarHBondContact O-N 2.98Å
1227E87Confident83.6Confident113 Ų11390.7 Ų90.753%0.52846%0.457SS..Hα-helixtrans-54.6-51.7176.3-173.5179.7-156.300111.6S1223 I1230 T1231S1223-E1227 PolarHBondContact O-N 3.33Å; E1227-I1230 PolarHBondContact O-N 3.44Å; E1227-T1231 PolarHBondContact O-N 2.93Å; E1227-T1231 PolarHBondContact O-OG1 3.35Å
1228V89.3Confident82Confident75 Ų7590.4 Ų90.446%0.45545%0.445SS..Hα-helixtrans-61.6-46.8178.71710000112R1224 A1226 I1230 T1231 M1232R1224-V1228 WeakPolarHBondContact O-CG2 3.42Å; R1224-V1228 PolarHBondContact O-N 3.34Å; R1224-V1228 VanDerWaalsContact O-N 3.12Å; A1226-V1228 PolarHBondContact O-N 3.35Å; V1228-I1230 PolarHBondContact O-N 3.48Å; V1228-T1231 PolarHBondContact O-N 3.11Å; V1228-M1232 HydrophobicContact CG1-SD 4.14Å; V1228-M1232 WeakPolarHBondContact O-CG 3.33Å; V1228-M1232 PolarHBondContact O-N 3.04Å
1229L89.9Confident80.2Confident57 Ų5783.6 Ų83.630%0.29843%0.425SS..Hα-helixtrans-63.8-39.4-178.5-74171.4000112.5I1210 M1213 L1219 A1225 A1226 I1233I1210-L1229 HydrophobicContact CD1-CB 3.76Å; I1210-L1229 HydrophobicContact CD1-CD2 4.22Å; I1210-L1229 HydrophobicContact CD1-CG 4.4Å; I1210-L1229 HydrophobicContact CG1-CB 4.2Å; I1210-L1229 HydrophobicContact CG1-CD1 4.3Å; M1213-L1229 HydrophobicContact CE-CD1 4.16Å; L1219-L1229 HydrophobicContact CD2-CD1 4.04Å; A1225-L1229 WeakPolarHBondContact O-CB 3.46Å; A1225-L1229 VanDerWaalsContact O-CG 3.24Å; A1225-L1229 WeakPolarHBondContact O-CG 3.24Å; A1225-L1229 PolarHBondContact O-N 2.89Å; A1226-L1229 PolarHBondContact O-N 2.8Å; L1229-I1233 PolarHBondContact O-N 2.77Å
1230I85.7Confident78.4Confident80 Ų8085.1 Ų85.141%0.4143%0.433SS..Hα-helixtrans-66.2-47.3174.6-68.1165.2000110.2A1226 E1227 V1228 M1232 I1233 S1234A1226-I1230 WeakPolarHBondContact O-CB 3.43Å; A1226-I1230 WeakPolarHBondContact O-CD1 3.37Å; A1226-I1230 VanDerWaalsContact O-CG1 3.24Å; A1226-I1230 WeakPolarHBondContact O-CG1 3.34Å; A1226-I1230 PolarHBondContact O-N 2.98Å; E1227-I1230 PolarHBondContact O-N 3.44Å; V1228-I1230 PolarHBondContact O-N 3.48Å; I1230-M1232 VanDerWaalsContact C-N 3.27Å; I1230-M1232 PolarHBondContact O-N 2.83Å; I1230-I1233 PolarHBondContact O-N 3.43Å; I1230-I1233 VanDerWaalsContact O-N 3.14Å; I1230-S1234 PolarHBondContact O-N 2.88Å; I1230-S1234 PolarHBondContact O-OG 3.25Å
1231T82.8Confident76.6Confident69 Ų6986.3 Ų86.342%0.42344%0.439SS..Hα-helixtrans-58.9-37.3178-59.40000112.5E1227 V1228 S1234 K1235E1227-T1231 PolarHBondContact O-N 2.93Å; E1227-T1231 PolarHBondContact O-OG1 3.35Å; V1228-T1231 PolarHBondContact O-N 3.11Å; T1231-S1234 PolarHBondContact O-N 2.99Å; T1231-K1235 PolarHBondContact O-N 3.16Å
1232M80.4Confident74.8Confident105 Ų10582.4 Ų82.452%0.51743%0.428SS..Hα-helixtrans-63.8-40.4176.1-73.9178.268.900112.7V1228 I1230 N1236V1228-M1232 HydrophobicContact CG1-SD 4.14Å; V1228-M1232 WeakPolarHBondContact O-CG 3.33Å; V1228-M1232 PolarHBondContact O-N 3.04Å; I1230-M1232 VanDerWaalsContact C-N 3.27Å; I1230-M1232 PolarHBondContact O-N 2.83Å; M1232-N1236 PolarHBondContact O-N 2.89Å; M1232-N1236 PolarHBondContact O-ND2 2.83Å; M1232-N1236 PolarHBondContact O-OD1 2.89Å
1233I81.2Confident72.9Confident28 Ų2880.8 Ų80.814%0.14442%0.419CS..Hα-helixtrans-64-47.9174.2-66.8165.3000110.5A1207 I1210 L1229 I1230 K1235 N1236 Q1237A1207-I1233 HydrophobicContact CB-CD1 4.08Å; I1210-I1233 HydrophobicContact CD1-CD1 3.51Å; I1210-I1233 HydrophobicContact CD1-CG1 4.29Å; L1229-I1233 PolarHBondContact O-N 2.77Å; I1230-I1233 PolarHBondContact O-N 3.43Å; I1230-I1233 VanDerWaalsContact O-N 3.14Å; I1233-K1235 VanDerWaalsContact C-N 3.31Å; I1233-K1235 PolarHBondContact O-N 2.94Å; I1233-N1236 PolarHBondContact O-N 3.45Å; I1233-Q1237 PolarHBondContact O-N 2.79Å
1234S74.3Confident71Confident65 Ų6585 Ų8546%0.45543%0.434SS..Hα-helixtrans-62.1-36.8-177.4-56.80000112.9I1230 T1231 S1238I1230-S1234 PolarHBondContact O-N 2.88Å; I1230-S1234 PolarHBondContact O-OG 3.25Å; T1231-S1234 PolarHBondContact O-N 2.99Å; S1234-S1238 PolarHBondContact O-N 3.14Å
1235K70.7Confident69Low133 Ų13384.4 Ų84.458%0.57843%0.433SS*.Hα-helixtrans-63.7-50.6173.6-77.9-170.7173.2-168.80111.6T1231 I1233 Q1237 S1238 D1239T1231-K1235 PolarHBondContact O-N 3.16Å; I1233-K1235 VanDerWaalsContact C-N 3.31Å; I1233-K1235 PolarHBondContact O-N 2.94Å; K1235-Q1237 VanDerWaalsContact C-N 3.28Å; K1235-Q1237 PolarHBondContact O-N 2.76Å; K1235-S1238 WeakPolarHBondContact O-CA 3.4Å; K1235-S1238 WeakPolarHBondContact O-CB 2.83Å; K1235-S1238 PolarHBondContact O-N 2.97Å; K1235-S1238 PolarHBondContact O-OG 2.87Å; K1235-D1239 PolarHBondContact O-N 3.08Å
1236N61.1Low67.1Low59 Ų5986.2 Ų86.232%0.31643%0.434SS..Hα-helixtrans-60.5-36.4-178.7-63.7-5.2000112.4I1203 M1232 I1233 S1238 L1240I1203-N1236 HydrophobicContact CD1-CB 4.09Å; I1203-N1236 HydrophobicContact CG1-CB 4.47Å; M1232-N1236 PolarHBondContact O-N 2.89Å; M1232-N1236 PolarHBondContact O-ND2 2.83Å; M1232-N1236 PolarHBondContact O-OD1 2.89Å; I1233-N1236 PolarHBondContact O-N 3.45Å; N1236-S1238 VanDerWaalsContact C-N 3.32Å; N1236-S1238 PolarHBondContact O-N 3.09Å; N1236-L1240 PolarHBondContact O-N 3.38Å
1237Q61.7Low65.1Low111 Ų11190.6 Ų90.652%0.51945%0.454SS..Hα-helixtrans-64.5-33.5172-78.4-175.9-37.900113.3I1203 I1233 K1235 N1241I1203-Q1237 HydrophobicContact CG2-CG 4.44Å; I1233-Q1237 PolarHBondContact O-N 2.79Å; K1235-Q1237 VanDerWaalsContact C-N 3.28Å; K1235-Q1237 PolarHBondContact O-N 2.76Å; Q1237-N1241 PolarHBondContact O-N 3.24Å
1238S54Low63.5Low55 Ų5590.1 Ų90.139%0.38546%0.456SS..Hα-helixtrans-72-33.1-179.674.40000113.2S1234 K1235 N1236 K1242S1234-S1238 PolarHBondContact O-N 3.14Å; K1235-S1238 WeakPolarHBondContact O-CA 3.4Å; K1235-S1238 WeakPolarHBondContact O-CB 2.83Å; K1235-S1238 PolarHBondContact O-N 2.97Å; K1235-S1238 PolarHBondContact O-OG 2.87Å; N1236-S1238 VanDerWaalsContact C-N 3.32Å; N1236-S1238 PolarHBondContact O-N 3.09Å; S1238-K1242 PolarHBondContact O-N 3.37Å
1239D52.2Low61.7Low74 Ų7490.5 Ų90.540%0.39645%0.454SS..Hα-helixtrans-77.6-34.3176.8-64.6-44.1000111.7K1235 N1241 K1242 N1243K1235-D1239 PolarHBondContact O-N 3.08Å; D1239-N1241 VanDerWaalsContact C-N 3.34Å; D1239-N1241 PolarHBondContact O-N 3.49Å; D1239-K1242 WeakPolarHBondContact O-CB 3.36Å; D1239-K1242 PolarHBondContact O-N 3.45Å; D1239-K1242 VanDerWaalsContact O-N 3.11Å; D1239-K1242 IonicContact OD1-NZ 2.74Å; D1239-K1242 PolarHBondContact OD1-NZ 2.95Å; D1239-K1242 VanDerWaalsContact OD1-NZ 3.11Å; D1239-N1243 PolarHBondContact O-N 3.5Å
1240L53.5Low59.8Low49 Ų4993.8 Ų93.826%0.25747%0.468SS..Hα-helixtrans-64.2-37.5174.9-143.9144.4000112.3D1200 I1203 N1236 K1242 N1243 K1244D1200-L1240 WeakPolarHBondContact OD1-CD1 3.44Å; I1203-L1240 HydrophobicContact CD1-CD1 3.54Å; N1236-L1240 PolarHBondContact O-N 3.38Å; L1240-K1242 VanDerWaalsContact C-N 3.32Å; L1240-K1242 PolarHBondContact O-N 3.21Å; L1240-N1243 PolarHBondContact O-N 3.42Å; L1240-K1244 PolarHBondContact O-N 3.03Å
1241N53.3Low58.1Low117 Ų11795.8 Ų95.863%0.62647%0.474SS*.Hα-helixtrans-66.3-27.2173.1-83.8-22.5000113.8Q1237 D1239 Y1245Q1237-N1241 PolarHBondContact O-N 3.24Å; D1239-N1241 VanDerWaalsContact C-N 3.34Å; D1239-N1241 PolarHBondContact O-N 3.49Å; N1241-Y1245 PolarHBondContact O-N 3.33Å
1242K48.8Very low56.6Low126 Ų12695.3 Ų95.355%0.54848%0.476SS..Hα-helixtrans-71.3-46.7173.5-71.9173.1-173.4155.50111.1S1238 D1239 L1240 K1244 Y1245 I1246S1238-K1242 PolarHBondContact O-N 3.37Å; D1239-K1242 WeakPolarHBondContact O-CB 3.36Å; D1239-K1242 PolarHBondContact O-N 3.45Å; D1239-K1242 VanDerWaalsContact O-N 3.11Å; D1239-K1242 IonicContact OD1-NZ 2.74Å; D1239-K1242 PolarHBondContact OD1-NZ 2.95Å; D1239-K1242 VanDerWaalsContact OD1-NZ 3.11Å; L1240-K1242 VanDerWaalsContact C-N 3.32Å; L1240-K1242 PolarHBondContact O-N 3.21Å; K1242-K1244 VanDerWaalsContact C-N 3.29Å; K1242-K1244 PolarHBondContact O-N 3.24Å; K1242-Y1245 WeakPolarHBondContact O-CB 3.4Å; K1242-Y1245 PolarHBondContact O-N 3.4Å; K1242-I1246 PolarHBondContact O-N 3.38Å
1243N46.8Very low54.9Low112 Ų11295.4 Ų95.460%0.59948%0.479SS*.Hα-helixtrans-60.4-41.3-179-68.2-0.2000111.2D1239 L1240 Y1245 I1246 E1247D1239-N1243 PolarHBondContact O-N 3.5Å; L1240-N1243 PolarHBondContact O-N 3.42Å; N1243-Y1245 PolarHBondContact O-N 3.16Å; N1243-I1246 PolarHBondContact O-N 3.36Å; N1243-I1246 VanDerWaalsContact O-N 3.08Å; N1243-E1247 PolarHBondContact O-N 2.92Å; N1243-E1247 VanDerWaalsContact O-N 3.11Å
1244K51.2Low53.2Low121 Ų121102.2 Ų102.253%0.52651%0.51SS..Hα-helixtrans-65.3-23.4175.9-151.5166.5-164.7163.60114L1240 K1242 N1248L1240-K1244 PolarHBondContact O-N 3.03Å; K1242-K1244 VanDerWaalsContact C-N 3.29Å; K1242-K1244 PolarHBondContact O-N 3.24Å; K1244-N1248 PolarHBondContact O-ND2 3.21Å
1245Y45.7Very low51.8Low171 Ų171104.4 Ų104.467%0.67152%0.52SS*.Hα-helixtrans-78.3-29.9173.7-152-81.5000112.1N1241 K1242 N1243 I1249N1241-Y1245 PolarHBondContact O-N 3.33Å; K1242-Y1245 WeakPolarHBondContact O-CB 3.4Å; K1242-Y1245 PolarHBondContact O-N 3.4Å; N1243-Y1245 PolarHBondContact O-N 3.16Å; Y1245-I1249 HydrophobicContact CD1-CD1 4.13Å; Y1245-I1249 HydrophobicContact CE1-CD1 4.36Å; Y1245-I1249 WeakPolarHBondContact O-CG1 3.27Å
1246I51Low50.3Low90 Ų90104.4 Ų104.446%0.46253%0.525SS..Hα-helixtrans-73-42.7176.3-62.9167.6000110.3K1242 N1243 N1248 I1249 H1250K1242-I1246 PolarHBondContact O-N 3.38Å; N1243-I1246 PolarHBondContact O-N 3.36Å; N1243-I1246 VanDerWaalsContact O-N 3.08Å; I1246-N1248 VanDerWaalsContact C-N 3.28Å; I1246-N1248 PolarHBondContact O-N 2.84Å; I1246-I1249 WeakPolarHBondContact O-CB 3.46Å; I1246-I1249 PolarHBondContact O-N 3.11Å; I1246-H1250 PolarHBondContact O-CD2 2.93Å; I1246-H1250 PolarHBondContact O-N 3.45Å
1247E47.1Very low49.6Very low92 Ų92106.9 Ų106.943%0.4355%0.545SS..Hα-helixtrans-58.4-39.4176.8-161.4-163.2151.200112.4N1243 I1249 H1250 K1251N1243-E1247 PolarHBondContact O-N 2.92Å; N1243-E1247 VanDerWaalsContact O-N 3.11Å; E1247-I1249 VanDerWaalsContact C-N 3.26Å; E1247-I1249 PolarHBondContact O-N 3.26Å; E1247-H1250 PolarHBondContact O-N 3.13Å; E1247-K1251 PolarHBondContact O-N 3.26Å; E1247-K1251 VanDerWaalsContact O-N 3.15Å; E1247-K1251 IonicContact OE1-NZ 2.86Å; E1247-K1251 PolarHBondContact OE1-NZ 3.26Å
1248N52.1Low48.4Very low104 Ų104113.1 Ų113.156%0.55658%0.582SS**Hα-helixtrans-69.8-17.8176.2-75.5-14.3000114.2K1244 I1246K1244-N1248 PolarHBondContact O-ND2 3.21Å; I1246-N1248 VanDerWaalsContact C-N 3.28Å; I1246-N1248 PolarHBondContact O-N 2.84Å
1249I51.6Low48.1Very low83 Ų83116 Ų11643%0.42659%0.592SS.*Hα-helixtrans-80.7-46.3173.4-67.3166.7000109.1Y1245 I1246 E1247 K1251 A1252 D1253Y1245-I1249 HydrophobicContact CD1-CD1 4.13Å; Y1245-I1249 HydrophobicContact CE1-CD1 4.36Å; Y1245-I1249 WeakPolarHBondContact O-CG1 3.27Å; I1246-I1249 WeakPolarHBondContact O-CB 3.46Å; I1246-I1249 PolarHBondContact O-N 3.11Å; E1247-I1249 VanDerWaalsContact C-N 3.26Å; E1247-I1249 PolarHBondContact O-N 3.26Å; I1249-K1251 VanDerWaalsContact C-N 3.31Å; I1249-K1251 PolarHBondContact O-N 2.94Å; I1249-A1252 WeakPolarHBondContact O-CB 3.43Å; I1249-A1252 PolarHBondContact O-N 3.08Å; I1249-D1253 PolarHBondContact O-N 3.5Å; I1249-D1253 VanDerWaalsContact O-N 3.15Å
1250H51Low47.9Very low125 Ų125118.2 Ų118.258%0.57960%0.602SS**Hα-helixtrans-59.7-39.2177.4-71.1-63.9000112.9I1246 E1247 A1252 D1253 E1254I1246-H1250 PolarHBondContact O-CD2 2.93Å; I1246-H1250 PolarHBondContact O-N 3.45Å; E1247-H1250 PolarHBondContact O-N 3.13Å; H1250-A1252 PolarHBondContact O-N 3.49Å; H1250-D1253 PolarHBondContact O-N 2.64Å; H1250-E1254 PolarHBondContact O-N 3.49Å
1251K50.5Low47.6Very low123 Ų123122.1 Ų122.154%0.53562%0.621SS.*Hα-helixtrans-71.6-10.3173.4-76.6175.7175160.30115E1247 I1249E1247-K1251 PolarHBondContact O-N 3.26Å; E1247-K1251 VanDerWaalsContact O-N 3.15Å; E1247-K1251 IonicContact OE1-NZ 2.86Å; E1247-K1251 PolarHBondContact OE1-NZ 3.26Å; I1249-K1251 VanDerWaalsContact C-N 3.31Å; I1249-K1251 PolarHBondContact O-N 2.94Å
1252A51Low47.3Very low58 Ų58122.4 Ų122.448%0.47962%0.621SS.*Hα-helixtrans-92.1-33174.800000111.8I1249 H1250 E1254 V1255I1249-A1252 WeakPolarHBondContact O-CB 3.43Å; I1249-A1252 PolarHBondContact O-N 3.08Å; H1250-A1252 PolarHBondContact O-N 3.49Å; A1252-E1254 VanDerWaalsContact C-N 3.27Å; A1252-E1254 PolarHBondContact O-N 2.91Å; A1252-V1255 PolarHBondContact O-N 3.05Å
1253D45.2Very low47.2Very low108 Ų108122.1 Ų122.158%0.57863%0.625SS**Hα-helixtrans-72.6-20.6177.6-65.9-26000112.5I1249 H1250 V1255I1249-D1253 PolarHBondContact O-N 3.5Å; I1249-D1253 VanDerWaalsContact O-N 3.15Å; H1250-D1253 PolarHBondContact O-N 2.64Å; D1253-V1255 VanDerWaalsContact C-N 3.29Å
1254E44.2Very low47.2Very low170 Ų170122.8 Ų122.879%0.79463%0.627SS**THydrogen-bonded Turntrans-79.5-1.8171.3-110.5172.6-171.400114.3H1250 A1252H1250-E1254 PolarHBondContact O-N 3.49Å; A1252-E1254 VanDerWaalsContact C-N 3.27Å; A1252-E1254 PolarHBondContact O-N 2.91Å
1255V44.6Very low46.9Very low111 Ų111122.9 Ų122.967%0.67363%0.634SS**  trans-11954.8177.7-164.10000110.6A1252 D1253A1252-V1255 PolarHBondContact O-N 3.05Å; D1253-V1255 VanDerWaalsContact C-N 3.29Å
1256I40.2Very low47Very low133 Ų133119.2 Ų119.268%0.68263%0.631SS**  trans-108.6108.2158.7-57.7-180000105.7
1257P45.9Very low46.6Very low112 Ų112121.7 Ų121.773%0.72765%0.646SS**  trans-68.2142.5175.6-12.226.9000110.5
1258D36.5Very low46.6Very low241 Ų241124.4 Ų124.4100%1.28967%0.665SS**  trans-63.50163.7-71.4-49.1000112.2

Retrieved 1,258 of 1,258 residues in 237.6 ms (Link to these results)