A0A3Q0KP44_SCHMA Loading...

RUN domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KP44, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 683 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
1M30.9Very low40.2Very low239 Ų239144.5 Ų144.5100%1.17774%0.742SS**  095.60-92.3-173.4173.300104.2
2D32.1Very low43.4Very low160 Ų160139.8 Ų139.886%0.85673%0.725SS**  trans-118.2137173.8-78.5-75.3000109.1V4D2-V4 PolarHBondContact O-N 3.45Å
3V35.9Very low46.5Very low116 Ų116134.8 Ų134.870%0.70369%0.691SS**  trans-64.6127.4-170.8-178.30000107.8R5V3-R5 HydrophobicContact CG1-CG 4.37Å; V3-R5 PolarHBondContact O-N 2.74Å
4V43.9Very low49.1Very low123 Ų123133.7 Ų133.775%0.74568%0.679SS**  trans-62.783.8156.3178.40000105.9D2 P6D2-V4 PolarHBondContact O-N 3.45Å; V4-P6 VanDerWaalsContact O-CD 3.23Å; V4-P6 WeakPolarHBondContact O-CD 3.41Å; V4-P6 VanDerWaalsContact O-N 3.16Å
5R33.2Very low51.5Low212 Ų212127.5 Ų127.580%0.865%0.652SS**PPolyproline II helixtrans-58.9116.9173.3-87.5-173.9-90.8-173.4-6.2105.5V3 S7V3-R5 HydrophobicContact CG1-CG 4.37Å; V3-R5 PolarHBondContact O-N 2.74Å; R5-S7 PolarHBondContact O-N 3.23Å; R5-S7 VanDerWaalsContact O-N 3.08Å
6P35.2Very low53.7Low116 Ų116119.7 Ų119.775%0.75361%0.613SS**PPolyproline II helixtrans-60.2118.7165.6-12.728.2000105.3V4V4-P6 VanDerWaalsContact O-CD 3.23Å; V4-P6 WeakPolarHBondContact O-CD 3.41Å; V4-P6 VanDerWaalsContact O-N 3.16Å
7S32.7Very low55.8Low82 Ų82112.9 Ų112.957%0.57358%0.578SS**PPolyproline II helixtrans-55.2138.7173.938.30000108.6R5 H9R5-S7 PolarHBondContact O-N 3.23Å; R5-S7 VanDerWaalsContact O-N 3.08Å; S7-H9 PolarHBondContact O-N 3.02Å
8P34.7Very low57.5Low120 Ų120113.4 Ų113.478%0.77958%0.578SS**SBendtrans-67.6-2.4-171.926.6-34.6000113.8
9H44Very low59.1Low146 Ų146108.1 Ų108.168%0.67655%0.551SS**SBendtrans-108.598.3171.6-49-60.3000108.9S7 I11S7-H9 PolarHBondContact O-N 3.02Å; H9-I11 VanDerWaalsContact C-N 3.27Å; H9-I11 PolarHBondContact O-N 3.19Å
10R54.6Low60.7Low231 Ų231102.8 Ų102.887%0.87252%0.524SS*.  trans-64.592.8163.2-89-174.7165.9-158.8-2108T12R10-T12 PolarHBondContact O-N 3.29Å; R10-T12 VanDerWaalsContact O-N 3.11Å
11I64.7Low62.1Low45 Ų45100 Ų10023%0.23151%0.509CS..  trans-52122169.6-53.1172.6000106.6H9 L16 H56 I180 F182H9-I11 VanDerWaalsContact C-N 3.27Å; H9-I11 PolarHBondContact O-N 3.19Å; I11-L16 HydrophobicContact CG2-CB 3.8Å; I11-H56 PolarHBondContact O-NE2 3.15Å; I11-I180 HydrophobicContact CD1-CD1 4.16Å; I11-F182 HydrophobicContact CD1-CZ 4.17Å
12T79Confident64.8Low88 Ų8892 Ų9254%0.5447%0.471SS..  trans-69.8145-176.267.90000109.3R10 K14 S15 L16R10-T12 PolarHBondContact O-N 3.29Å; R10-T12 VanDerWaalsContact O-N 3.11Å; T12-K14 PolarHBondContact O-N 2.77Å; T12-K14 VanDerWaalsContact O-N 3.08Å; T12-S15 PolarHBondContact O-N 3.26Å; T12-S15 VanDerWaalsContact OG1-CB 3.23Å; T12-S15 WeakPolarHBondContact OG1-CB 3.28Å; T12-S15 PolarHBondContact OG1-N 3.3Å; T12-L16 PolarHBondContact O-N 2.77Å
13R83.6Confident67.6Low75 Ų7584.6 Ų84.628%0.28343%0.431SS..Hα-helixtrans-45-45176.9-172.9-159.362.6162.1-5.7111.9L17 I141 S144 E146R13-L17 HydrophobicContact CG-CD1 4.09Å; R13-L17 WeakPolarHBondContact O-CB 3.3Å; R13-L17 WeakPolarHBondContact O-CD1 3.46Å; R13-L17 WeakPolarHBondContact O-CG 3.47Å; R13-L17 PolarHBondContact O-N 3.34Å; R13-L17 VanDerWaalsContact O-N 3.09Å; R13-I141 HydrophobicContact CB-CG1 4.44Å; R13-I141 HydrophobicContact CG-CG1 3.56Å; R13-S144 PolarHBondContact NH1-OG 2.85Å; R13-E146 IonicContact CZ-OE1 3.37Å; R13-E146 IonicContact CZ-OE2 2.73Å; R13-E146 IonicContact NE-OE2 2.69Å; R13-E146 PolarHBondContact NE-OE2 3.39Å; R13-E146 IonicContact NH1-OE1 2.85Å; R13-E146 IonicContact NH1-OE2 3.06Å; R13-E146 PolarHBondContact NH1-OE2 3.46Å; R13-E146 IonicContact NH2-OE1 2.69Å; R13-E146 PolarHBondContact NH2-OE1 2.92Å; R13-E146 IonicContact NH2-OE2 2.69Å; R13-E146 PolarHBondContact NH2-OE2 2.76Å
14K83.2Confident70.2Confident119 Ų11979.1 Ų79.152%0.51740%0.398SS..Hα-helixtrans-68.3-43.4179.1-68.6-171.5173.4-172.10113.1T12 L17 Q18T12-K14 PolarHBondContact O-N 2.77Å; T12-K14 VanDerWaalsContact O-N 3.08Å; K14-L17 PolarHBondContact O-N 2.85Å; K14-Q18 WeakPolarHBondContact O-CB 3.27Å; K14-Q18 VanDerWaalsContact O-CG 3.3Å; K14-Q18 WeakPolarHBondContact O-CG 3.28Å; K14-Q18 PolarHBondContact O-N 2.97Å
15S84.2Confident72.3Confident40 Ų4077.8 Ų77.828%0.2838%0.382SS..Hα-helixtrans-62.2-45.2177.11700000111.5T12 L17 Q18 V19T12-S15 PolarHBondContact O-N 3.26Å; T12-S15 VanDerWaalsContact OG1-CB 3.23Å; T12-S15 WeakPolarHBondContact OG1-CB 3.28Å; T12-S15 PolarHBondContact OG1-N 3.3Å; S15-L17 PolarHBondContact O-N 2.83Å; S15-Q18 PolarHBondContact O-N 3.36Å; S15-V19 WeakPolarHBondContact O-CG2 3.23Å; S15-V19 PolarHBondContact O-N 3.15Å
16L87.9Confident74.8Confident3 Ų370.1 Ų70.12%0.01636%0.361CS..Hα-helixtrans-66.8-36.8178.6-17553.6000112.2I11 T12 A20 V49 N52 L53 H56 I141 I180I11-L16 HydrophobicContact CG2-CB 3.8Å; T12-L16 PolarHBondContact O-N 2.77Å; L16-A20 WeakPolarHBondContact O-CB 3.41Å; L16-A20 PolarHBondContact O-N 3.37Å; L16-V49 HydrophobicContact CD1-CG1 4.3Å; L16-N52 HydrophobicContact CD1-CB 4.28Å; L16-N52 HydrophobicContact CD2-CB 4.29Å; L16-L53 HydrophobicContact CD2-CD2 4.26Å; L16-L53 HydrophobicContact CG-CD2 3.92Å; L16-H56 HydrophobicContact CD2-CB 3.84Å; L16-I141 HydrophobicContact CB-CD1 3.95Å; L16-I141 HydrophobicContact CD2-CD1 3.61Å; L16-I141 HydrophobicContact CG-CD1 3.81Å; L16-I180 HydrophobicContact CD1-CD1 3.44Å; L16-I180 VanDerWaalsContact CD1-CD1 3.44Å
17L88.8Confident77.4Confident5 Ų564.7 Ų64.73%0.02633%0.326CS..Hα-helixtrans-64.3-47.3173.2-80.8162.8000112.4R13 K14 S15 A20 E21 I141 E146 L150R13-L17 HydrophobicContact CG-CD1 4.09Å; R13-L17 WeakPolarHBondContact O-CB 3.3Å; R13-L17 WeakPolarHBondContact O-CD1 3.46Å; R13-L17 WeakPolarHBondContact O-CG 3.47Å; R13-L17 PolarHBondContact O-N 3.34Å; R13-L17 VanDerWaalsContact O-N 3.09Å; K14-L17 PolarHBondContact O-N 2.85Å; S15-L17 PolarHBondContact O-N 2.83Å; L17-A20 PolarHBondContact O-N 3.26Å; L17-E21 WeakPolarHBondContact O-CG 3.36Å; L17-E21 PolarHBondContact O-N 2.85Å; L17-I141 HydrophobicContact CD1-CG1 4.46Å; L17-I141 HydrophobicContact CD2-CG2 3.92Å; L17-I141 HydrophobicContact CG-CD1 4.32Å; L17-I141 HydrophobicContact CG-CG1 4.33Å; L17-I141 HydrophobicContact CG-CG2 4.29Å; L17-E146 HydrophobicContact CD1-CB 3.56Å; L17-E146 HydrophobicContact CD1-CG 4.43Å; L17-E146 WeakPolarHBondContact CD1-OE2 3.34Å; L17-L150 HydrophobicContact CD2-CB 4.06Å; L17-L150 HydrophobicContact CD2-CD2 4.05Å; L17-L150 HydrophobicContact CD2-CG 4.46Å
18Q87.2Confident80Confident122 Ų12263.2 Ų63.257%0.5731%0.311SS*.Hα-helixtrans-61.5-45.4178.1-74.3171.75.100112K14 S15 E21 L22K14-Q18 WeakPolarHBondContact O-CB 3.27Å; K14-Q18 VanDerWaalsContact O-CG 3.3Å; K14-Q18 WeakPolarHBondContact O-CG 3.28Å; K14-Q18 PolarHBondContact O-N 2.97Å; S15-Q18 PolarHBondContact O-N 3.36Å; Q18-E21 PolarHBondContact O-N 2.79Å; Q18-L22 WeakPolarHBondContact O-CB 3.46Å; Q18-L22 VanDerWaalsContact O-CG 3.29Å; Q18-L22 WeakPolarHBondContact O-CG 3.49Å; Q18-L22 PolarHBondContact O-N 3.32Å
19V88.1Confident82.4Confident12 Ų1264 Ų647%0.07330%0.304CS..Hα-helixtrans-63.5-43.6175.8171.40000110.5S15 E21 L22 V23 V49 I180 F182 F185S15-V19 WeakPolarHBondContact O-CG2 3.23Å; S15-V19 PolarHBondContact O-N 3.15Å; V19-E21 PolarHBondContact O-N 2.97Å; V19-L22 PolarHBondContact O-N 3.24Å; V19-V23 HydrophobicContact CG1-CG2 3.93Å; V19-V23 WeakPolarHBondContact O-CG2 3.15Å; V19-V23 PolarHBondContact O-N 3.01Å; V19-V49 HydrophobicContact CG1-CG2 4.03Å; V19-I180 HydrophobicContact CG1-CG2 4.27Å; V19-F182 HydrophobicContact CG2-CD1 4.12Å; V19-F182 HydrophobicContact CG2-CE1 3.96Å; V19-F185 HydrophobicContact CG1-CD2 4.02Å; V19-F185 HydrophobicContact CG1-CE2 4Å
20A90.6Very high84.4Confident1 Ų159.1 Ų59.11%0.00829%0.286CS..Hα-helixtrans-60.5-44.8176.300000112.7L16 L17 L22 V23 I24 V49 L53 L150L16-A20 WeakPolarHBondContact O-CB 3.41Å; L16-A20 PolarHBondContact O-N 3.37Å; L17-A20 PolarHBondContact O-N 3.26Å; A20-L22 PolarHBondContact O-N 3.24Å; A20-V23 PolarHBondContact O-N 2.86Å; A20-I24 WeakPolarHBondContact O-CB 3.41Å; A20-I24 VanDerWaalsContact O-CD1 3.27Å; A20-I24 WeakPolarHBondContact O-CD1 3.46Å; A20-I24 WeakPolarHBondContact O-CG1 3.45Å; A20-I24 PolarHBondContact O-N 3.44Å; A20-V49 HydrophobicContact CB-CG1 3.67Å; A20-L53 HydrophobicContact CB-CD1 4.19Å; A20-L53 HydrophobicContact CB-CD2 4.25Å; A20-L150 HydrophobicContact CB-CD1 3.58Å; A20-L150 HydrophobicContact CB-CD2 4.3Å
21E90.2Very high85.7Confident46 Ų4649.7 Ų49.722%0.21526%0.256CS..Hα-helixtrans-60.5-41.3174-74.3-177-162.100112.7L17 Q18 V19 K25 L150L17-E21 WeakPolarHBondContact O-CG 3.36Å; L17-E21 PolarHBondContact O-N 2.85Å; Q18-E21 PolarHBondContact O-N 2.79Å; V19-E21 PolarHBondContact O-N 2.97Å; E21-K25 WeakPolarHBondContact O-CB 3.38Å; E21-K25 WeakPolarHBondContact O-CD 3.46Å; E21-K25 VanDerWaalsContact O-CG 3.3Å; E21-K25 WeakPolarHBondContact O-CG 3.4Å; E21-K25 PolarHBondContact O-N 3.16Å; E21-K25 IonicContact OE2-NZ 2.68Å; E21-L150 HydrophobicContact CG-CD1 3.81Å
22L88.1Confident86.5Confident71 Ų7152.9 Ų52.937%0.37228%0.277SS..Hα-helixtrans-65.1-45.7176.9-73.3170.3000111.8Q18 V19 A20 K25 S26 F185Q18-L22 WeakPolarHBondContact O-CB 3.46Å; Q18-L22 VanDerWaalsContact O-CG 3.29Å; Q18-L22 WeakPolarHBondContact O-CG 3.49Å; Q18-L22 PolarHBondContact O-N 3.32Å; V19-L22 PolarHBondContact O-N 3.24Å; A20-L22 PolarHBondContact O-N 3.24Å; L22-K25 PolarHBondContact O-N 3.09Å; L22-S26 WeakPolarHBondContact O-CB 3.3Å; L22-S26 PolarHBondContact O-N 3.06Å; L22-F185 HydrophobicContact CB-CD1 4.18Å; L22-F185 HydrophobicContact CB-CE1 4.16Å; L22-F185 HydrophobicContact CD1-CD1 4.3Å
23V89.8Confident86.6Confident4 Ų456.6 Ų56.62%0.02429%0.288CS..Hα-helixtrans-66.7-41.2179.7-163.50000110.5V19 A20 K25 S26 Q27 F46 V49 F185V19-V23 HydrophobicContact CG1-CG2 3.93Å; V19-V23 WeakPolarHBondContact O-CG2 3.15Å; V19-V23 PolarHBondContact O-N 3.01Å; A20-V23 PolarHBondContact O-N 2.86Å; V23-K25 PolarHBondContact O-N 3.08Å; V23-S26 PolarHBondContact O-N 3.31Å; V23-Q27 HydrophobicContact CG1-CG 4.31Å; V23-Q27 VanDerWaalsContact O-CG 3.3Å; V23-Q27 WeakPolarHBondContact O-CG 3.38Å; V23-Q27 PolarHBondContact O-N 2.94Å; V23-F46 HydrophobicContact CB-CD2 4.23Å; V23-F46 HydrophobicContact CG1-CB 3.61Å; V23-F46 HydrophobicContact CG1-CD2 3.76Å; V23-F46 HydrophobicContact CG1-CG 4.1Å; V23-V49 HydrophobicContact CG2-CG2 4.03Å; V23-F185 HydrophobicContact CB-CZ 4.24Å; V23-F185 HydrophobicContact CG1-CZ 4.46Å; V23-F185 HydrophobicContact CG2-CE1 4.02Å; V23-F185 HydrophobicContact CG2-CE2 3.8Å; V23-F185 HydrophobicContact CG2-CZ 3.29Å
24I90.7Very high86.6Confident1 Ų159.1 Ų59.11%0.00530%0.297CS..Hα-helixtrans-58.7-48.4176.1-69.1160.5000110.6A20 Q27 I28 F46 L150 S153 L154 L157A20-I24 WeakPolarHBondContact O-CB 3.41Å; A20-I24 VanDerWaalsContact O-CD1 3.27Å; A20-I24 WeakPolarHBondContact O-CD1 3.46Å; A20-I24 WeakPolarHBondContact O-CG1 3.45Å; A20-I24 PolarHBondContact O-N 3.44Å; I24-Q27 PolarHBondContact O-N 3.39Å; I24-I28 HydrophobicContact CG2-CD1 3.9Å; I24-I28 VanDerWaalsContact O-CG1 3.32Å; I24-I28 WeakPolarHBondContact O-CG1 3.29Å; I24-I28 PolarHBondContact O-N 3.36Å; I24-F46 HydrophobicContact CG1-CE2 3.81Å; I24-L150 HydrophobicContact CD1-CD1 3.56Å; I24-L150 HydrophobicContact CD1-CG 4.16Å; I24-S153 WeakPolarHBondContact CG2-O 3.36Å; I24-L154 HydrophobicContact CD1-CD2 3.47Å; I24-L154 VanDerWaalsContact CD1-CD2 3.47Å; I24-L154 HydrophobicContact CD1-CG 3.78Å; I24-L154 HydrophobicContact CG1-CD2 3.79Å; I24-L157 HydrophobicContact CG2-CD1 4.24Å; I24-L157 HydrophobicContact CG2-CD2 4.45Å; I24-L157 HydrophobicContact CG2-CG 4.14Å
25K88.2Confident86.6Confident95 Ų9558.3 Ų58.341%0.41330%0.298SS..Hα-helixtrans-60.8-45.9177.3-73.4165.4-176.8162.10111.7E21 L22 V23 Q27 I28 E29E21-K25 WeakPolarHBondContact O-CB 3.38Å; E21-K25 WeakPolarHBondContact O-CD 3.46Å; E21-K25 VanDerWaalsContact O-CG 3.3Å; E21-K25 WeakPolarHBondContact O-CG 3.4Å; E21-K25 PolarHBondContact O-N 3.16Å; E21-K25 IonicContact OE2-NZ 2.68Å; L22-K25 PolarHBondContact O-N 3.09Å; V23-K25 PolarHBondContact O-N 3.08Å; K25-Q27 VanDerWaalsContact C-N 3.33Å; K25-Q27 PolarHBondContact O-N 3.4Å; K25-I28 PolarHBondContact O-N 2.72Å; K25-I28 VanDerWaalsContact O-N 3.13Å; K25-E29 WeakPolarHBondContact O-CG 3.16Å; K25-E29 PolarHBondContact O-N 3.03Å
26S86.5Confident86.5Confident50 Ų5056.6 Ų56.635%0.3529%0.285SS..Hα-helixtrans-59-40176.2176.70000112.8L22 V23 E29 S30L22-S26 WeakPolarHBondContact O-CB 3.3Å; L22-S26 PolarHBondContact O-N 3.06Å; V23-S26 PolarHBondContact O-N 3.31Å; S26-E29 PolarHBondContact O-N 3.46Å; S26-S30 WeakPolarHBondContact O-CB 3.33Å; S26-S30 PolarHBondContact O-N 3.02Å; S26-S30 PolarHBondContact O-OG 3.03Å
27Q87.8Confident86.3Confident3 Ų358 Ų581%0.01429%0.293CS..Hα-helixtrans-69.8-34.1175.4-68.1-62.1-40.400112.9V23 I24 K25 S30 S31 D42 F46 L157V23-Q27 HydrophobicContact CG1-CG 4.31Å; V23-Q27 VanDerWaalsContact O-CG 3.3Å; V23-Q27 WeakPolarHBondContact O-CG 3.38Å; V23-Q27 PolarHBondContact O-N 2.94Å; I24-Q27 PolarHBondContact O-N 3.39Å; K25-Q27 VanDerWaalsContact C-N 3.33Å; K25-Q27 PolarHBondContact O-N 3.4Å; Q27-S30 WeakPolarHBondContact CA-OG 3.38Å; Q27-S30 PolarHBondContact O-OG 3.22Å; Q27-S31 VanDerWaalsContact O-CB 3.26Å; Q27-S31 WeakPolarHBondContact O-CB 3.37Å; Q27-S31 PolarHBondContact O-N 3.07Å; Q27-D42 PolarHBondContact NE2-O 3.2Å; Q27-F46 HydrophobicContact CG-CB 4.1Å; Q27-F46 HydrophobicContact CG-CD1 4.08Å; Q27-F46 HydrophobicContact CG-CD2 4.21Å; Q27-F46 HydrophobicContact CG-CG 3.86Å; Q27-L157 HydrophobicContact CB-CD2 4.33Å
28I88Confident86.1Confident51 Ų5158.8 Ų58.826%0.26230%0.297SS..Hα-helixtrans-65.6-46.8172.4-65.6163.8000109.9I24 K25 S31 L157I24-I28 HydrophobicContact CG2-CD1 3.9Å; I24-I28 VanDerWaalsContact O-CG1 3.32Å; I24-I28 WeakPolarHBondContact O-CG1 3.29Å; I24-I28 PolarHBondContact O-N 3.36Å; K25-I28 PolarHBondContact O-N 2.72Å; K25-I28 VanDerWaalsContact O-N 3.13Å; I28-S31 PolarHBondContact O-N 2.88Å; I28-S31 PolarHBondContact O-OG 3.18Å; I28-L157 HydrophobicContact CD1-CD2 4.31Å; I28-L157 HydrophobicContact CG1-CD2 3.58Å; I28-L157 HydrophobicContact CG1-CG 4.31Å
29E86.2Confident85.8Confident136 Ų13657 Ų5764%0.63630%0.298SS*.Hα-helixtrans-66.7-40.1-179.6-70.6170.5-175.900112.7K25 S26 H33K25-E29 WeakPolarHBondContact O-CG 3.16Å; K25-E29 PolarHBondContact O-N 3.03Å; S26-E29 PolarHBondContact O-N 3.46Å; E29-H33 PolarHBondContact O-ND1 2.96Å
30S84.4Confident85.5Confident43 Ų4356.9 Ų56.930%0.30130%0.298SS..Hα-helixtrans-69.6-33.7176.672.20000112.4S26 Q27 V32 H33 R34S26-S30 WeakPolarHBondContact O-CB 3.33Å; S26-S30 PolarHBondContact O-N 3.02Å; S26-S30 PolarHBondContact O-OG 3.03Å; Q27-S30 WeakPolarHBondContact CA-OG 3.38Å; Q27-S30 PolarHBondContact O-OG 3.22Å; S30-V32 PolarHBondContact O-N 3.31Å; S30-V32 VanDerWaalsContact O-N 3.11Å; S30-H33 PolarHBondContact O-N 3.26Å; S30-R34 PolarHBondContact O-N 2.92Å
31S83.7Confident85.1Confident34 Ų3461.2 Ų61.224%0.23833%0.326CS..Hα-helixtrans-58.9-25.2-179.875.70000114.6Q27 I28 H33 R34 V160Q27-S31 VanDerWaalsContact O-CB 3.26Å; Q27-S31 WeakPolarHBondContact O-CB 3.37Å; Q27-S31 PolarHBondContact O-N 3.07Å; I28-S31 PolarHBondContact O-N 2.88Å; I28-S31 PolarHBondContact O-OG 3.18Å; S31-H33 PolarHBondContact O-N 3.22Å; S31-R34 WeakPolarHBondContact CA-O 3.27Å; S31-V160 WeakPolarHBondContact OG-CG2 3.45Å
32V81.4Confident84.8Confident112 Ų11263 Ų6368%0.67934%0.337SS*.THydrogen-bonded Turntrans-63.8-27.3175.6-178.50000111.6S30S30-V32 PolarHBondContact O-N 3.31Å; S30-V32 VanDerWaalsContact O-N 3.11Å
33H81.2Confident84.8Confident165 Ų16559.6 Ų59.676%0.76432%0.319SS*.THydrogen-bonded Turntrans-111.9-28.1-172.9-54.692.5000113.3E29 S30 S31E29-H33 PolarHBondContact O-ND1 2.96Å; S30-H33 PolarHBondContact O-N 3.26Å; S31-H33 PolarHBondContact O-N 3.22Å
34R82.3Confident84.7Confident128 Ų12863.2 Ų63.248%0.48334%0.336SS..SBendtrans-145134.8-176.5173.5177177.71592.9110.6S30 S31 P36 D37 S39S30-R34 PolarHBondContact O-N 2.92Å; S31-R34 WeakPolarHBondContact CA-O 3.27Å; R34-P36 VanDerWaalsContact O-CD 3.26Å; R34-P36 WeakPolarHBondContact O-CD 3.2Å; R34-D37 IonicContact CZ-OD1 3.39Å; R34-D37 VanDerWaalsContact CZ-OD1 3.23Å; R34-D37 IonicContact NE-OD1 3.72Å; R34-D37 PolarHBondContact NE-OD1 3.3Å; R34-D37 IonicContact NH2-OD1 3.75Å; R34-D37 PolarHBondContact NH2-OD1 3.24Å; R34-D37 IonicContact NH2-OD2 3.31Å; R34-D37 PolarHBondContact NH2-OD2 3.37Å; R34-S39 PolarHBondContact NH2-OG 3.02Å
35I83.7Confident84.6Confident103 Ų10363.9 Ų63.953%0.52834%0.34SS..  trans-64117.6167.3-64.5177.8000108.2D37 Q161 N163I35-D37 PolarHBondContact O-N 3.35Å; I35-Q161 WeakPolarHBondContact CG2-O 3.43Å; I35-N163 HydrophobicContact CG2-CB 3.85Å
36P81.9Confident84.7Confident3 Ų359.5 Ų59.52%0.01932%0.32CS..  trans-67.9125.6-176.7-20.733.9000111.9R34 V43 V160 Q161 F162 N163R34-P36 VanDerWaalsContact O-CD 3.26Å; R34-P36 WeakPolarHBondContact O-CD 3.2Å; P36-V43 HydrophobicContact CB-CG2 3.6Å; P36-V160 HydrophobicContact CG-CG1 3.84Å; P36-Q161 WeakPolarHBondContact CD-O 3.24Å; P36-F162 HydrophobicContact CB-CD1 3.84Å; P36-F162 HydrophobicContact CB-CE1 3.85Å; P36-F162 HydrophobicContact CG-CD1 4.33Å; P36-F162 HydrophobicContact CG-CE1 4.17Å; P36-N163 PolarHBondContact O-N 2.89Å
37D84.5Confident84.8Confident33 Ų3358.1 Ų58.118%0.17631%0.309CS..BIsolated β-bridgetrans-131153.3-173.167.6-50.6000112.5R34 I35 S39 S40 N163R34-D37 IonicContact CZ-OD1 3.39Å; R34-D37 VanDerWaalsContact CZ-OD1 3.23Å; R34-D37 IonicContact NE-OD1 3.72Å; R34-D37 PolarHBondContact NE-OD1 3.3Å; R34-D37 IonicContact NH2-OD1 3.75Å; R34-D37 PolarHBondContact NH2-OD1 3.24Å; R34-D37 IonicContact NH2-OD2 3.31Å; R34-D37 PolarHBondContact NH2-OD2 3.37Å; I35-D37 PolarHBondContact O-N 3.35Å; D37-S39 PolarHBondContact O-N 2.93Å; D37-S39 WeakPolarHBondContact OD2-CB 3.47Å; D37-S39 PolarHBondContact OD2-OG 3.27Å; D37-S40 PolarHBondContact O-N 3.34Å; D37-S40 PolarHBondContact O-OG 2.98Å; D37-N163 WeakPolarHBondContact CA-O 3.49Å
38D83.2Confident84.8Confident22 Ų2258.2 Ų58.212%0.11831%0.31CS..THydrogen-bonded Turntrans-65.5-9.8-173.3-15148.8000113.6Q44 K110 L164D38-Q44 PolarHBondContact O-NE2 2.87Å; D38-K110 VanDerWaalsContact OD1-CE 3.24Å; D38-K110 WeakPolarHBondContact OD1-CE 3.41Å; D38-K110 IonicContact OD1-NZ 2.57Å; D38-K110 PolarHBondContact OD1-NZ 3Å; D38-K110 IonicContact OD2-NZ 2.79Å; D38-K110 PolarHBondContact OD2-NZ 3.33Å; D38-L164 HydrophobicContact CB-CD2 4.3Å
39S80.6Confident85Confident84 Ų8455.9 Ų55.959%0.58730%0.298SS*.THydrogen-bonded Turntrans-77.3-21.3173.384.80000113.6R34 D37R34-S39 PolarHBondContact NH2-OG 3.02Å; D37-S39 PolarHBondContact O-N 2.93Å; D37-S39 WeakPolarHBondContact OD2-CB 3.47Å; D37-S39 PolarHBondContact OD2-OG 3.27Å
40S81.9Confident85.2Confident10 Ų1049.4 Ų49.47%0.0727%0.268CS..SBendtrans-84.7133.8-175.664.40000111.8D37 D42 V43 Q44D37-S40 PolarHBondContact O-N 3.34Å; D37-S40 PolarHBondContact O-OG 2.98Å; S40-D42 PolarHBondContact O-N 3.08Å; S40-V43 PolarHBondContact O-N 3.22Å; S40-V43 VanDerWaalsContact OG-CB 3.28Å; S40-V43 WeakPolarHBondContact OG-CB 3.23Å; S40-V43 WeakPolarHBondContact OG-CG2 3.47Å; S40-Q44 PolarHBondContact O-N 3.21Å; S40-Q44 VanDerWaalsContact O-N 3.14Å
41P83.4Confident85.5Confident92 Ų9247.5 Ų47.560%0.59726%0.255SS*.Hα-helixtrans-63.2-31.7-179.325.9-34.2000111.8V43 Q44 N45P41-V43 PolarHBondContact O-N 3.11Å; P41-Q44 PolarHBondContact O-N 2.69Å; P41-N45 WeakPolarHBondContact O-CB 3.28Å; P41-N45 PolarHBondContact O-N 3.47Å
42D84.5Confident85.7Confident82 Ų8247.2 Ų47.244%0.43925%0.251SS..Hα-helixtrans-64.1-39.7178.2-54.4-42.2000112.1Q27 S40 F46Q27-D42 PolarHBondContact NE2-O 3.2Å; S40-D42 PolarHBondContact O-N 3.08Å; D42-F46 VanDerWaalsContact O-CB 3.31Å; D42-F46 WeakPolarHBondContact O-CB 3.47Å; D42-F46 PolarHBondContact O-N 3.07Å
43V86.8Confident86.2Confident1 Ų141.9 Ų41.91%0.00622%0.218CC..Hα-helixtrans-72-38.7175.9170.50000111.1P36 S40 P41 N45 F46 L47 L164P36-V43 HydrophobicContact CB-CG2 3.6Å; S40-V43 PolarHBondContact O-N 3.22Å; S40-V43 VanDerWaalsContact OG-CB 3.28Å; S40-V43 WeakPolarHBondContact OG-CB 3.23Å; S40-V43 WeakPolarHBondContact OG-CG2 3.47Å; P41-V43 PolarHBondContact O-N 3.11Å; V43-N45 VanDerWaalsContact C-N 3.35Å; V43-F46 WeakPolarHBondContact O-CB 3.19Å; V43-F46 PolarHBondContact O-N 2.77Å; V43-L47 HydrophobicContact CG1-CD1 4.23Å; V43-L47 HydrophobicContact CG1-CG 4.49Å; V43-L47 WeakPolarHBondContact O-CG 3.49Å; V43-L47 PolarHBondContact O-N 3.22Å; V43-L164 HydrophobicContact CG1-CD2 3.63Å
44Q87.3Confident86.6Confident80 Ų8034.1 Ų34.137%0.37418%0.182SC..Hα-helixtrans-62.5-43.2174.4-67.1-179.18.200111.3D38 S40 P41 L47 A48D38-Q44 PolarHBondContact O-NE2 2.87Å; S40-Q44 PolarHBondContact O-N 3.21Å; S40-Q44 VanDerWaalsContact O-N 3.14Å; P41-Q44 PolarHBondContact O-N 2.69Å; Q44-L47 PolarHBondContact O-N 2.76Å; Q44-A48 WeakPolarHBondContact O-CB 3.27Å; Q44-A48 PolarHBondContact O-N 3.43Å
45N88.3Confident86.8Confident15 Ų1530 Ų308%0.0817%0.167CC..Hα-helixtrans-65.9-40.3174.8-164.619.9000111.6P41 V43 L47 A48 V49 D181P41-N45 WeakPolarHBondContact O-CB 3.28Å; P41-N45 PolarHBondContact O-N 3.47Å; V43-N45 VanDerWaalsContact C-N 3.35Å; N45-L47 PolarHBondContact O-N 3.08Å; N45-A48 WeakPolarHBondContact O-CB 3.04Å; N45-A48 PolarHBondContact O-N 2.98Å; N45-V49 VanDerWaalsContact O-CG2 3.3Å; N45-V49 WeakPolarHBondContact O-CG2 3.48Å; N45-V49 PolarHBondContact O-N 3.47Å; N45-D181 PolarHBondContact ND2-O 3.3Å; N45-D181 PolarHBondContact OD1-N 3.01Å
46F90.3Very high86.9Confident2 Ų226.7 Ų26.71%0.00915%0.149CC..Hα-helixtrans-57.9-47.5172.6174.6-124.7000112.5V23 I24 Q27 D42 V43 A48 V49 L50 L113 L157 F162V23-F46 HydrophobicContact CB-CD2 4.23Å; V23-F46 HydrophobicContact CG1-CB 3.61Å; V23-F46 HydrophobicContact CG1-CD2 3.76Å; V23-F46 HydrophobicContact CG1-CG 4.1Å; I24-F46 HydrophobicContact CG1-CE2 3.81Å; Q27-F46 HydrophobicContact CG-CB 4.1Å; Q27-F46 HydrophobicContact CG-CD1 4.08Å; Q27-F46 HydrophobicContact CG-CD2 4.21Å; Q27-F46 HydrophobicContact CG-CG 3.86Å; D42-F46 VanDerWaalsContact O-CB 3.31Å; D42-F46 WeakPolarHBondContact O-CB 3.47Å; D42-F46 PolarHBondContact O-N 3.07Å; V43-F46 WeakPolarHBondContact O-CB 3.19Å; V43-F46 PolarHBondContact O-N 2.77Å; F46-A48 VanDerWaalsContact C-N 3.33Å; F46-A48 PolarHBondContact O-N 2.92Å; F46-V49 PolarHBondContact O-N 3.45Å; F46-L50 HydrophobicContact CD1-CD1 4.36Å; F46-L50 HydrophobicContact CD2-CD1 4.4Å; F46-L50 HydrophobicContact CD2-CG 4.25Å; F46-L50 HydrophobicContact CE1-CD1 3.81Å; F46-L50 HydrophobicContact CE2-CD1 3.85Å; F46-L50 HydrophobicContact CE2-CD2 4.09Å; F46-L50 HydrophobicContact CE2-CG 3.86Å; F46-L50 HydrophobicContact CZ-CD1 3.53Å; F46-L50 HydrophobicContact CZ-CD2 4.39Å; F46-L50 HydrophobicContact CZ-CG 4.08Å; F46-L50 WeakPolarHBondContact O-CG 3.37Å; F46-L50 PolarHBondContact O-N 2.98Å; F46-L113 HydrophobicContact CD1-CD1 4.48Å; F46-L113 HydrophobicContact CE1-CD1 3.8Å; F46-L113 HydrophobicContact CE1-CD2 3.89Å; F46-L113 HydrophobicContact CZ-CD2 4.04Å; F46-L157 HydrophobicContact CE1-CD1 4.37Å; F46-L157 HydrophobicContact CE2-CD1 4.35Å; F46-L157 HydrophobicContact CZ-CD1 3.57Å; F46-F162 HydrophobicContact CD1-CE1 4.43Å; F46-F162 HydrophobicContact CE1-CE1 4.07Å; F46-F162 AromaticContact CE1-CZ 3.94Å; F46-F162 HydrophobicContact CE1-CZ 3.94Å
47L90Very high86.9Confident21 Ų2127.8 Ų27.811%0.1116%0.161CC..Hα-helixtrans-62.5-38.8175.1-69.9172.7000111.9V43 Q44 N45 L50 E51 I109 K110 L113 L164V43-L47 HydrophobicContact CG1-CD1 4.23Å; V43-L47 HydrophobicContact CG1-CG 4.49Å; V43-L47 WeakPolarHBondContact O-CG 3.49Å; V43-L47 PolarHBondContact O-N 3.22Å; Q44-L47 PolarHBondContact O-N 2.76Å; N45-L47 PolarHBondContact O-N 3.08Å; L47-L50 PolarHBondContact O-N 3.29Å; L47-E51 PolarHBondContact O-N 2.7Å; L47-I109 HydrophobicContact CD2-CG2 4.13Å; L47-K110 HydrophobicContact CD1-CG 4.18Å; L47-K110 HydrophobicContact CD2-CG 4.12Å; L47-L113 HydrophobicContact CD2-CD1 3.6Å; L47-L164 HydrophobicContact CD1-CD2 4.46Å; L47-L164 HydrophobicContact CD2-CD1 4.46Å
48A88.3Confident86.8Confident5 Ų527.8 Ų27.84%0.04116%0.161CC..Hα-helixtrans-63.4-45.2174.600000112.1Q44 N45 F46 E51 N52 P178Q44-A48 WeakPolarHBondContact O-CB 3.27Å; Q44-A48 PolarHBondContact O-N 3.43Å; N45-A48 WeakPolarHBondContact O-CB 3.04Å; N45-A48 PolarHBondContact O-N 2.98Å; F46-A48 VanDerWaalsContact C-N 3.33Å; F46-A48 PolarHBondContact O-N 2.92Å; A48-E51 PolarHBondContact O-N 3.33Å; A48-N52 WeakPolarHBondContact O-CB 3.37Å; A48-N52 PolarHBondContact O-N 3.22Å; A48-N52 PolarHBondContact O-ND2 3.32Å; A48-P178 HydrophobicContact CB-CB 3.89Å; A48-P178 HydrophobicContact CB-CG 4.44Å
49V90.3Very high86.7Confident2 Ų229.8 Ų29.81%0.01217%0.169CC..Hα-helixtrans-60.8-45.8175.5173.20000110.6L16 V19 A20 V23 N45 F46 E51 N52 L53 I180L16-V49 HydrophobicContact CD1-CG1 4.3Å; V19-V49 HydrophobicContact CG1-CG2 4.03Å; A20-V49 HydrophobicContact CB-CG1 3.67Å; V23-V49 HydrophobicContact CG2-CG2 4.03Å; N45-V49 VanDerWaalsContact O-CG2 3.3Å; N45-V49 WeakPolarHBondContact O-CG2 3.48Å; N45-V49 PolarHBondContact O-N 3.47Å; F46-V49 PolarHBondContact O-N 3.45Å; V49-E51 PolarHBondContact O-N 3.25Å; V49-N52 PolarHBondContact O-N 3.36Å; V49-L53 WeakPolarHBondContact O-CG 3.14Å; V49-L53 PolarHBondContact O-N 3.2Å; V49-I180 HydrophobicContact CB-CD1 4.5Å; V49-I180 HydrophobicContact CG2-CB 4.33Å; V49-I180 HydrophobicContact CG2-CD1 3.97Å; V49-I180 HydrophobicContact CG2-CG1 3.84Å; V49-I180 HydrophobicContact CG2-CG2 3.64Å
50L91.9Very high86Confident1 Ų131.1 Ų31.11%0.00518%0.178CC..Hα-helixtrans-59.6-44.8175.4-72.5-179.5000112.5F46 L47 N52 L53 F54 I109 L113 L118 L154F46-L50 HydrophobicContact CD1-CD1 4.36Å; F46-L50 HydrophobicContact CD2-CD1 4.4Å; F46-L50 HydrophobicContact CD2-CG 4.25Å; F46-L50 HydrophobicContact CE1-CD1 3.81Å; F46-L50 HydrophobicContact CE2-CD1 3.85Å; F46-L50 HydrophobicContact CE2-CD2 4.09Å; F46-L50 HydrophobicContact CE2-CG 3.86Å; F46-L50 HydrophobicContact CZ-CD1 3.53Å; F46-L50 HydrophobicContact CZ-CD2 4.39Å; F46-L50 HydrophobicContact CZ-CG 4.08Å; F46-L50 WeakPolarHBondContact O-CG 3.37Å; F46-L50 PolarHBondContact O-N 2.98Å; L47-L50 PolarHBondContact O-N 3.29Å; L50-N52 PolarHBondContact O-N 3.04Å; L50-L53 HydrophobicContact CD2-CD1 4.02Å; L50-L53 WeakPolarHBondContact O-CB 3.2Å; L50-L53 PolarHBondContact O-N 2.84Å; L50-F54 WeakPolarHBondContact O-CD2 3.47Å; L50-F54 PolarHBondContact O-N 3.04Å; L50-I109 HydrophobicContact CB-CG2 4.15Å; L50-I109 HydrophobicContact CD1-CG2 3.84Å; L50-L113 HydrophobicContact CD1-CD1 3.88Å; L50-L113 HydrophobicContact CD1-CD2 4.26Å; L50-L113 HydrophobicContact CD1-CG 4.41Å; L50-L118 HydrophobicContact CD1-CD2 3.71Å; L50-L118 HydrophobicContact CD2-CD2 4.07Å; L50-L154 HydrophobicContact CD2-CD2 4.38Å
51E90.4Very high84.9Confident2 Ų235 Ų351%0.00920%0.195CC..Hα-helixtrans-62.9-42.5176.8-168.6178.2163.700111.4L47 A48 V49 L53 F54 Y55 L105 R106 I109 V177 P178L47-E51 PolarHBondContact O-N 2.7Å; A48-E51 PolarHBondContact O-N 3.33Å; V49-E51 PolarHBondContact O-N 3.25Å; E51-L53 VanDerWaalsContact C-N 3.29Å; E51-L53 PolarHBondContact O-N 3.07Å; E51-F54 WeakPolarHBondContact O-CB 3.47Å; E51-F54 PolarHBondContact O-N 3.42Å; E51-Y55 HydrophobicContact CG-CD2 3.97Å; E51-Y55 HydrophobicContact CG-CE2 3.67Å; E51-Y55 VanDerWaalsContact O-CD2 3.27Å; E51-Y55 WeakPolarHBondContact O-CD2 3.37Å; E51-Y55 PolarHBondContact O-N 3.13Å; E51-L105 HydrophobicContact CG-CD2 4.45Å; E51-R106 IonicContact OE1-CZ 3.93Å; E51-R106 IonicContact OE1-NE 3.07Å; E51-R106 IonicContact OE1-NH2 2.86Å; E51-R106 PolarHBondContact OE1-NH2 3.25Å; E51-R106 WeakPolarHBondContact OE2-CG 3.33Å; E51-R106 IonicContact OE2-CZ 3.5Å; E51-R106 IonicContact OE2-NE 3.47Å; E51-R106 PolarHBondContact OE2-NE 3.21Å; E51-R106 IonicContact OE2-NH2 2.76Å; E51-R106 PolarHBondContact OE2-NH2 3.22Å; E51-I109 HydrophobicContact CB-CD1 4.33Å; E51-V177 HydrophobicContact CB-CG1 4.41Å; E51-V177 HydrophobicContact CG-CG1 4.04Å; E51-P178 WeakPolarHBondContact OE2-CD 3.35Å
52N88.5Confident83.3Confident29 Ų2933.8 Ų33.816%0.15518%0.183CC..Hα-helixtrans-60.5-34.3176.6-85-83.5000112.9L16 A48 V49 L50 F54 Y55 H56 V177 P178 I180L16-N52 HydrophobicContact CD1-CB 4.28Å; L16-N52 HydrophobicContact CD2-CB 4.29Å; A48-N52 WeakPolarHBondContact O-CB 3.37Å; A48-N52 PolarHBondContact O-N 3.22Å; A48-N52 PolarHBondContact O-ND2 3.32Å; V49-N52 PolarHBondContact O-N 3.36Å; L50-N52 PolarHBondContact O-N 3.04Å; N52-F54 VanDerWaalsContact C-N 3.34Å; N52-F54 PolarHBondContact O-N 3.05Å; N52-Y55 PolarHBondContact O-N 3.47Å; N52-H56 WeakPolarHBondContact O-CB 3.39Å; N52-H56 PolarHBondContact O-N 3.33Å; N52-V177 WeakPolarHBondContact ND2-CG1 3.23Å; N52-P178 PolarHBondContact ND2-O 3.44Å; N52-I180 HydrophobicContact CB-CD1 3.85Å; N52-I180 HydrophobicContact CB-CG1 4.35Å
53L90.7Very high81.7Confident0 Ų038.5 Ų38.50%020%0.2CC..Hα-helixtrans-57.6-45.5171.5-65.5168.6000111.6L16 A20 V49 L50 E51 Y55 H56 I141 F142 L150L16-L53 HydrophobicContact CD2-CD2 4.26Å; L16-L53 HydrophobicContact CG-CD2 3.92Å; A20-L53 HydrophobicContact CB-CD1 4.19Å; A20-L53 HydrophobicContact CB-CD2 4.25Å; V49-L53 WeakPolarHBondContact O-CG 3.14Å; V49-L53 PolarHBondContact O-N 3.2Å; L50-L53 HydrophobicContact CD2-CD1 4.02Å; L50-L53 WeakPolarHBondContact O-CB 3.2Å; L50-L53 PolarHBondContact O-N 2.84Å; E51-L53 VanDerWaalsContact C-N 3.29Å; E51-L53 PolarHBondContact O-N 3.07Å; L53-Y55 VanDerWaalsContact C-N 3.28Å; L53-Y55 PolarHBondContact O-N 3.07Å; L53-H56 PolarHBondContact O-N 3.37Å; L53-I141 HydrophobicContact CD2-CD1 3.69Å; L53-I141 HydrophobicContact CD2-CG2 4.21Å; L53-F142 WeakPolarHBondContact O-CE2 3.3Å; L53-L150 HydrophobicContact CD1-CD2 3.6Å; L53-L150 HydrophobicContact CD2-CD2 3.99Å; L53-L150 HydrophobicContact CG-CD2 4.47Å
54F89.7Confident80.1Confident1 Ų146.3 Ų46.30%0.00424%0.241CC..Hα-helixtrans-64.5-26.7178.1-78.1-78.5000113.9L50 E51 N52 P73 I77 L105 W108 I109 M122 L125 Y136 F142L50-F54 WeakPolarHBondContact O-CD2 3.47Å; L50-F54 PolarHBondContact O-N 3.04Å; E51-F54 WeakPolarHBondContact O-CB 3.47Å; E51-F54 PolarHBondContact O-N 3.42Å; N52-F54 VanDerWaalsContact C-N 3.34Å; N52-F54 PolarHBondContact O-N 3.05Å; F54-P73 HydrophobicContact CB-CB 4.01Å; F54-P73 HydrophobicContact CB-CG 4.09Å; F54-P73 HydrophobicContact CD1-CB 4.27Å; F54-P73 WeakPolarHBondContact O-CG 3.32Å; F54-I77 HydrophobicContact CE1-CD1 4.46Å; F54-L105 HydrophobicContact CB-CD2 4.34Å; F54-W108 HydrophobicContact CE1-CZ3 4.38Å; F54-W108 HydrophobicContact CE2-CZ3 4.4Å; F54-W108 HydrophobicContact CZ-CH2 4.45Å; F54-W108 AromaticContact CZ-CZ3 3.8Å; F54-W108 HydrophobicContact CZ-CZ3 3.8Å; F54-I109 HydrophobicContact CD2-CD1 3.76Å; F54-I109 HydrophobicContact CD2-CG1 4.3Å; F54-I109 HydrophobicContact CE2-CD1 4.03Å; F54-I109 HydrophobicContact CE2-CG1 4.07Å; F54-M122 HydrophobicContact CZ-CG 4.15Å; F54-M122 HydrophobicContact CZ-SD 4.45Å; F54-L125 HydrophobicContact CD1-CD2 4.48Å; F54-L125 HydrophobicContact CE1-CD2 3.8Å; F54-Y136 WeakPolarHBondContact O-CE1 3.4Å; F54-Y136 PolarHBondContact O-OH 2.94Å; F54-F142 HydrophobicContact CD1-CE2 4.11Å; F54-F142 AromaticContact CD1-CZ 3.84Å; F54-F142 HydrophobicContact CD1-CZ 3.84Å; F54-F142 HydrophobicContact CE1-CE1 4.45Å; F54-F142 HydrophobicContact CE1-CE2 4.48Å; F54-F142 AromaticContact CE1-CZ 3.77Å; F54-F142 HydrophobicContact CE1-CZ 3.77Å; F54-F142 HydrophobicContact CG-CE2 4.46Å; F54-F142 HydrophobicContact CG-CZ 4.31Å; F54-F142 HydrophobicContact CZ-CZ 4.17Å
55Y87.4Confident78.6Confident41 Ų4146.5 Ų46.516%0.16125%0.248CC..Hα-helixtrans-92.3-20.8175.6-72.3-78.1000114.3E51 N52 L53 G57 L58 H72 P73 F102 L105 V177E51-Y55 HydrophobicContact CG-CD2 3.97Å; E51-Y55 HydrophobicContact CG-CE2 3.67Å; E51-Y55 VanDerWaalsContact O-CD2 3.27Å; E51-Y55 WeakPolarHBondContact O-CD2 3.37Å; E51-Y55 PolarHBondContact O-N 3.13Å; N52-Y55 PolarHBondContact O-N 3.47Å; L53-Y55 VanDerWaalsContact C-N 3.28Å; L53-Y55 PolarHBondContact O-N 3.07Å; Y55-G57 PolarHBondContact O-N 3.15Å; Y55-L58 HydrophobicContact CD1-CD2 3.99Å; Y55-L58 HydrophobicContact CE1-CD2 4.35Å; Y55-L58 WeakPolarHBondContact O-CB 3.46Å; Y55-L58 PolarHBondContact O-N 2.89Å; Y55-H72 PolarHBondContact OH-CE1 2.96Å; Y55-H72 PolarHBondContact OH-NE2 3.48Å; Y55-P73 HydrophobicContact CD1-CG 3.98Å; Y55-P73 VanDerWaalsContact CE1-CD 3.4Å; Y55-P73 HydrophobicContact CE1-CG 3.79Å; Y55-P73 HydrophobicContact CE2-CG 4.44Å; Y55-P73 HydrophobicContact CG-CG 4.38Å; Y55-F102 HydrophobicContact CE1-CE1 4.07Å; Y55-F102 HydrophobicContact CE2-CD1 4.36Å; Y55-F102 HydrophobicContact CE2-CE1 4.31Å; Y55-F102 AromaticContact CZ-CD1 3.87Å; Y55-F102 AromaticContact CZ-CE1 3.63Å; Y55-F102 WeakPolarHBondContact OH-CD1 3.45Å; Y55-F102 VanDerWaalsContact OH-CE1 3.23Å; Y55-F102 WeakPolarHBondContact OH-CE1 3.39Å; Y55-L105 HydrophobicContact CE2-CD2 3.62Å; Y55-V177 HydrophobicContact CD1-CG2 4.22Å; Y55-V177 HydrophobicContact CD2-CB 4.37Å; Y55-V177 HydrophobicContact CD2-CG1 4.13Å; Y55-V177 HydrophobicContact CD2-CG2 3.29Å; Y55-V177 HydrophobicContact CE1-CG2 4.41Å; Y55-V177 HydrophobicContact CE2-CG2 3.52Å; Y55-V177 HydrophobicContact CG-CG2 3.68Å
56H85.4Confident76.7Confident34 Ų3449.8 Ų49.816%0.15729%0.285CS..THydrogen-bonded Turntrans-60.9111.7-174.3-179.7-68.8000112.8I11 L16 N52 L53 L58 D139 A140 I141I11-H56 PolarHBondContact O-NE2 3.15Å; L16-H56 HydrophobicContact CD2-CB 3.84Å; N52-H56 WeakPolarHBondContact O-CB 3.39Å; N52-H56 PolarHBondContact O-N 3.33Å; L53-H56 PolarHBondContact O-N 3.37Å; H56-L58 VanDerWaalsContact C-N 3.35Å; H56-D139 PolarHBondContact CE1-O 3.08Å; H56-A140 WeakPolarHBondContact O-CB 3.37Å; H56-I141 HydrophobicContact CB-CD1 3.92Å; H56-I141 HydrophobicContact CB-CG1 4.39Å
57G81Confident74.7Confident27 Ų2757.5 Ų57.528%0.27832%0.319SS..THydrogen-bonded Turntrans78.514178.100000114.4Y55 S137Y55-G57 PolarHBondContact O-N 3.15Å; G57-S137 VanDerWaalsContact O-CB 3.3Å; G57-S137 WeakPolarHBondContact O-CB 3.33Å; G57-S137 PolarHBondContact O-N 2.81Å; G57-S137 PolarHBondContact O-OG 3.22Å
58L83.6Confident72.7Confident32 Ų3263.3 Ų63.317%0.16835%0.35CS..BIsolated β-bridgetrans-61.2134.3172-169.568.8000110.6Y55 H56 S60 K71 P73 Y136Y55-L58 HydrophobicContact CD1-CD2 3.99Å; Y55-L58 HydrophobicContact CE1-CD2 4.35Å; Y55-L58 WeakPolarHBondContact O-CB 3.46Å; Y55-L58 PolarHBondContact O-N 2.89Å; H56-L58 VanDerWaalsContact C-N 3.35Å; L58-S60 PolarHBondContact O-N 3.39Å; L58-K71 VanDerWaalsContact CD2-O 3.29Å; L58-K71 WeakPolarHBondContact CD2-O 3.38Å; L58-P73 HydrophobicContact CD2-CG 3.96Å; L58-Y136 HydrophobicContact CB-CD1 4.32Å; L58-Y136 HydrophobicContact CB-CE1 4.24Å; L58-Y136 HydrophobicContact CD1-CD1 4.15Å; L58-Y136 HydrophobicContact CD1-CE1 3.88Å
59K80Confident70.9Confident65 Ų6568 Ų6828%0.28338%0.378SS..  trans-76.6115.3179.2-71168.4171.3168.60110.3H61 K71 T133 Y135 Y136 S137K59-H61 PolarHBondContact O-N 3.38Å; K59-H61 VanDerWaalsContact O-N 3.15Å; K59-K71 HydrophobicContact CB-CD 4.41Å; K59-K71 WeakPolarHBondContact O-CD 3.46Å; K59-T133 PolarHBondContact NZ-O 2.98Å; K59-Y135 VanDerWaalsContact CB-O 3.28Å; K59-Y135 WeakPolarHBondContact CB-O 3.18Å; K59-Y135 WeakPolarHBondContact CG-O 3.37Å; K59-Y135 PolarHBondContact N-O 3.26Å; K59-Y136 WeakPolarHBondContact CE-O 2.75Å; K59-Y136 PolarHBondContact NZ-O 3.11Å; K59-S137 WeakPolarHBondContact CG-OG 3.46Å
60S66.6Low69.4Low111 Ų11172.7 Ų72.778%0.77641%0.408SS*.SBendtrans-58.3-25176.153.80000114.4L58L58-S60 PolarHBondContact O-N 3.39Å
61H59Low68.4Low91 Ų9174 Ų7442%0.42141%0.414SS..  trans-139156-174.6-169-129.6000113.3K59 F63 K71K59-H61 PolarHBondContact O-N 3.38Å; K59-H61 VanDerWaalsContact O-N 3.15Å; H61-F63 PolarHBondContact ND1-N 3.43Å; H61-K71 PolarHBondContact O-NZ 3.05Å
62N50.2Low68Low68 Ų6874.5 Ų74.536%0.36442%0.416SS..  trans-119.691.3164.8-119.96.2000107.6L64 V65 K71N62-L64 PolarHBondContact O-N 3.41Å; N62-V65 PolarHBondContact O-N 3.1Å; N62-K71 VanDerWaalsContact CG-NZ 3.28Å; N62-K71 WeakPolarHBondContact ND2-CE 3.35Å; N62-K71 VanDerWaalsContact OD1-CE 3.28Å; N62-K71 WeakPolarHBondContact OD1-CE 3.5Å; N62-K71 PolarHBondContact OD1-NZ 3.06Å
63F50.2Low67.9Low181 Ų18173.2 Ų73.279%0.79441%0.409SS*.THydrogen-bonded Turntrans-59.1-20.7-179.7-172.9-97.3000113.6H61H61-F63 PolarHBondContact ND1-N 3.43Å
64L54.2Low67.7Low164 Ų16473.5 Ų73.586%0.85941%0.411SS*.THydrogen-bonded Turntrans-85-6.7-176.4-67.7166.8000115N62N62-L64 PolarHBondContact O-N 3.41Å
65V54.3Low67.5Low85 Ų8575.2 Ų75.252%0.51542%0.422SS..SBendtrans-135108.1177-177.40000107.8N62 K67N62-V65 PolarHBondContact O-N 3.1Å; V65-K67 PolarHBondContact O-N 3.3Å
66G49.1Very low67.4Low84 Ų8473.4 Ų73.487%0.86642%0.415SS*.SBendtrans-69.743.6-17300000115.9
67K48.4Very low67.5Low164 Ų16471.9 Ų71.971%0.71341%0.408SS*.SBendtrans-126.4117170.4-68.5-175.9177-178.60107.5V65 V69V65-K67 PolarHBondContact O-N 3.3Å; K67-V69 HydrophobicContact CB-CG2 4.36Å; K67-V69 PolarHBondContact O-N 2.83Å
68N47.2Very low67.7Low142 Ų14273.4 Ų73.476%0.75941%0.41SS*.  trans-72.355.3-175.8-62.5-22.8000112.6P70N68-P70 WeakPolarHBondContact O-CD 3.4Å
69V51.5Low67.7Low105 Ų10576.7 Ų76.764%0.63642%0.424SS*.  trans-86.4114.2175.1-174.30000107.8K67 K71K67-V69 HydrophobicContact CB-CG2 4.36Å; K67-V69 PolarHBondContact O-N 2.83Å; V69-K71 PolarHBondContact O-N 2.94Å
70P58.1Low67.9Low100 Ų10073.7 Ų73.765%0.64941%0.411SS*.  trans-61.5128.7174.426.4-33.2000108.6N68 H72N68-P70 WeakPolarHBondContact O-CD 3.4Å; P70-H72 PolarHBondContact O-N 3.5Å
71K70.7Confident68.7Low27 Ų2769.6 Ų69.612%0.11738%0.382CS..  trans-69.1133173.9-65.7-174.3-166.8151.30108.5L58 K59 H61 N62 V69 K134 Y135L58-K71 VanDerWaalsContact CD2-O 3.29Å; L58-K71 WeakPolarHBondContact CD2-O 3.38Å; K59-K71 HydrophobicContact CB-CD 4.41Å; K59-K71 WeakPolarHBondContact O-CD 3.46Å; H61-K71 PolarHBondContact O-NZ 3.05Å; N62-K71 VanDerWaalsContact CG-NZ 3.28Å; N62-K71 WeakPolarHBondContact ND2-CE 3.35Å; N62-K71 VanDerWaalsContact OD1-CE 3.28Å; N62-K71 WeakPolarHBondContact OD1-CE 3.5Å; N62-K71 PolarHBondContact OD1-NZ 3.06Å; V69-K71 PolarHBondContact O-N 2.94Å; K71-K134 PolarHBondContact NZ-O 2.86Å; K71-Y135 HydrophobicContact CB-CD1 4.08Å; K71-Y135 HydrophobicContact CB-CE1 4.39Å; K71-Y135 HydrophobicContact CD-CD1 3.91Å; K71-Y135 HydrophobicContact CD-CE1 4.41Å; K71-Y135 HydrophobicContact CD-CG 4.39Å; K71-Y135 HydrophobicContact CG-CD1 4.22Å; K71-Y135 HydrophobicContact CG-CE1 4.37Å
72H82.8Confident69.7Low14 Ų1472.4 Ų72.47%0.06540%0.401CS..  trans-128.6140.6179.1-166.3-73.3000108.3Y55 P70 W74 C75 N101 F102Y55-H72 PolarHBondContact OH-CE1 2.96Å; Y55-H72 PolarHBondContact OH-NE2 3.48Å; P70-H72 PolarHBondContact O-N 3.5Å; H72-W74 WeakPolarHBondContact ND1-CB 3.44Å; H72-W74 PolarHBondContact ND1-N 2.97Å; H72-W74 PolarHBondContact O-N 3.3Å; H72-C75 WeakPolarHBondContact O-CB 3.49Å; H72-C75 PolarHBondContact O-N 3.17Å; H72-N101 PolarHBondContact CE1-O 3.37Å; H72-N101 VanDerWaalsContact NE2-C 3.3Å; H72-N101 VanDerWaalsContact NE2-CB 3.33Å; H72-N101 WeakPolarHBondContact NE2-CB 3.42Å; H72-F102 AromaticContact NE2-CD2 3.66Å; H72-F102 AromaticContact NE2-CE2 3.91Å; H72-F102 AromaticContact NE2-CG 3.75Å; H72-F102 PolarHBondContact NE2-N 3.39Å
73P85.1Confident71.3Confident2 Ų271.9 Ų71.91%0.01340%0.398CS..Hα-helixtrans-58.5-38.2-177.9-25.135.8000112.3F54 Y55 L58 C75 L76 I77 L105F54-P73 HydrophobicContact CB-CB 4.01Å; F54-P73 HydrophobicContact CB-CG 4.09Å; F54-P73 HydrophobicContact CD1-CB 4.27Å; F54-P73 WeakPolarHBondContact O-CG 3.32Å; Y55-P73 HydrophobicContact CD1-CG 3.98Å; Y55-P73 VanDerWaalsContact CE1-CD 3.4Å; Y55-P73 HydrophobicContact CE1-CG 3.79Å; Y55-P73 HydrophobicContact CE2-CG 4.44Å; Y55-P73 HydrophobicContact CG-CG 4.38Å; L58-P73 HydrophobicContact CD2-CG 3.96Å; P73-C75 PolarHBondContact O-N 2.8Å; P73-L76 WeakPolarHBondContact O-CA 3.41Å; P73-L76 WeakPolarHBondContact O-CB 3.47Å; P73-L76 PolarHBondContact O-N 3.45Å; P73-I77 PolarHBondContact O-N 3.09Å; P73-L105 HydrophobicContact CB-CD1 4.24Å; P73-L105 HydrophobicContact CB-CD2 3.98Å; P73-L105 HydrophobicContact CG-CD2 4.08Å
74W87.1Confident72.7Confident6 Ų668.3 Ų68.32%0.02339%0.392CS..Hα-helixtrans-46.9-40.9168.7-172.4-122.1000114.5H72 L76 I77 L78 T89 V92 N101 K104 L105 W108H72-W74 WeakPolarHBondContact ND1-CB 3.44Å; H72-W74 PolarHBondContact ND1-N 2.97Å; H72-W74 PolarHBondContact O-N 3.3Å; W74-L76 VanDerWaalsContact C-N 3.27Å; W74-L76 PolarHBondContact O-N 2.94Å; W74-I77 HydrophobicContact CE3-CB 4.25Å; W74-I77 HydrophobicContact CE3-CD1 4.36Å; W74-I77 HydrophobicContact CE3-CG2 4.05Å; W74-I77 HydrophobicContact CZ3-CG2 3.86Å; W74-I77 PolarHBondContact O-N 2.92Å; W74-L78 HydrophobicContact CD2-CG 4.33Å; W74-L78 HydrophobicContact CG-CD1 4.46Å; W74-L78 HydrophobicContact CH2-CD2 4.48Å; W74-L78 HydrophobicContact CZ2-CD2 3.85Å; W74-L78 HydrophobicContact CZ2-CG 4.27Å; W74-L78 WeakPolarHBondContact O-CB 3.22Å; W74-L78 VanDerWaalsContact O-CG 3.27Å; W74-L78 WeakPolarHBondContact O-CG 3.38Å; W74-L78 PolarHBondContact O-N 2.95Å; W74-T89 HydrophobicContact CH2-CG2 3.73Å; W74-T89 HydrophobicContact CZ2-CG2 4.46Å; W74-T89 HydrophobicContact CZ3-CG2 4.16Å; W74-V92 HydrophobicContact CH2-CB 3.88Å; W74-V92 HydrophobicContact CH2-CG1 3.6Å; W74-V92 HydrophobicContact CZ2-CG1 4.13Å; W74-V92 HydrophobicContact CZ3-CG1 4.25Å; W74-N101 HydrophobicContact CB-CB 4.5Å; W74-K104 HydrophobicContact CD2-CB 3.89Å; W74-K104 HydrophobicContact CE3-CB 4.39Å; W74-K104 HydrophobicContact CG-CB 4.27Å; W74-K104 HydrophobicContact CH2-CB 4.47Å; W74-K104 HydrophobicContact CZ2-CB 3.95Å; W74-K104 HydrophobicContact CZ2-CD 4.21Å; W74-K104 HydrophobicContact CZ2-CG 4.48Å; W74-L105 HydrophobicContact CB-CB 4.5Å; W74-W108 HydrophobicContact CE3-CB 4.34Å; W74-W108 HydrophobicContact CH2-CB 4.46Å; W74-W108 HydrophobicContact CZ3-CB 3.63Å; W74-W108 AromaticContact CZ3-CD1 3.8Å; W74-W108 AromaticContact CZ3-CG 3.77Å; W74-W108 HydrophobicContact CZ3-CG 3.77Å
75C85.1Confident73.9Confident37 Ų3761.2 Ų61.225%0.2536%0.357CS..Hα-helixtrans-67.9-26.8178.8-60.40000113.1H72 P73 Q79 Y135H72-C75 WeakPolarHBondContact O-CB 3.49Å; H72-C75 PolarHBondContact O-N 3.17Å; P73-C75 PolarHBondContact O-N 2.8Å; C75-Q79 WeakPolarHBondContact O-CG 3.32Å; C75-Y135 HydrophobicContact CB-CE1 4.37Å
76L85.5Confident75.5Confident3 Ų357.2 Ų57.22%0.01633%0.332CS..Hα-helixtrans-78.3-42.9173.4177.157.6000110.7P73 W74 L78 Q79 L80 L125 N131 L132 Y135 Y136P73-L76 WeakPolarHBondContact O-CA 3.41Å; P73-L76 WeakPolarHBondContact O-CB 3.47Å; P73-L76 PolarHBondContact O-N 3.45Å; W74-L76 VanDerWaalsContact C-N 3.27Å; W74-L76 PolarHBondContact O-N 2.94Å; L76-L78 VanDerWaalsContact C-N 3.28Å; L76-L78 PolarHBondContact O-N 3.09Å; L76-Q79 WeakPolarHBondContact O-CB 3.48Å; L76-Q79 PolarHBondContact O-N 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.3Å; L76-L80 PolarHBondContact O-N 2.92Å; L76-L125 HydrophobicContact CD2-CD1 3.61Å; L76-L125 HydrophobicContact CG-CD1 3.86Å; L76-N131 HydrophobicContact CD1-CB 4.03Å; L76-L132 HydrophobicContact CD2-CD1 4.38Å; L76-Y135 HydrophobicContact CB-CD1 4.17Å; L76-Y135 HydrophobicContact CB-CD2 4.34Å; L76-Y135 HydrophobicContact CB-CE1 4.17Å; L76-Y135 HydrophobicContact CB-CE2 4.35Å; L76-Y135 HydrophobicContact CB-CG 4.25Å; L76-Y135 HydrophobicContact CD1-CD2 3.84Å; L76-Y135 HydrophobicContact CD1-CE2 3.93Å; L76-Y135 HydrophobicContact CD1-CG 4.46Å; L76-Y135 HydrophobicContact CD2-CD2 4.23Å; L76-Y135 HydrophobicContact CD2-CG 4.09Å; L76-Y135 HydrophobicContact CG-CD2 4.37Å; L76-Y136 HydrophobicContact CD2-CD2 4.39Å; L76-Y136 HydrophobicContact CD2-CE2 3.69Å
77I87.8Confident77.1Confident1 Ų156.8 Ų56.81%0.00532%0.316CS..Hα-helixtrans-56.7-42.7173.1-66.6169000110.8F54 P73 W74 Q79 L80 S81 F86 T89 L105 W108F54-I77 HydrophobicContact CE1-CD1 4.46Å; P73-I77 PolarHBondContact O-N 3.09Å; W74-I77 HydrophobicContact CE3-CB 4.25Å; W74-I77 HydrophobicContact CE3-CD1 4.36Å; W74-I77 HydrophobicContact CE3-CG2 4.05Å; W74-I77 HydrophobicContact CZ3-CG2 3.86Å; W74-I77 PolarHBondContact O-N 2.92Å; I77-Q79 VanDerWaalsContact C-N 3.25Å; I77-Q79 PolarHBondContact O-N 3.32Å; I77-L80 PolarHBondContact O-N 3.33Å; I77-S81 PolarHBondContact O-N 2.95Å; I77-F86 HydrophobicContact CB-CE1 4.47Å; I77-F86 HydrophobicContact CG1-CE1 4.29Å; I77-F86 HydrophobicContact CG2-CD1 3.94Å; I77-F86 HydrophobicContact CG2-CE1 4.1Å; I77-T89 HydrophobicContact CG2-CG2 4.07Å; I77-L105 HydrophobicContact CD1-CD1 3.39Å; I77-W108 HydrophobicContact CD1-CD2 4.03Å; I77-W108 HydrophobicContact CD1-CE3 3.75Å; I77-W108 HydrophobicContact CD1-CH2 4.34Å; I77-W108 HydrophobicContact CD1-CZ3 3.92Å; I77-W108 HydrophobicContact CG2-CD2 4.13Å; I77-W108 HydrophobicContact CG2-CG 4.35Å; I77-W108 HydrophobicContact CG2-CZ2 4.17Å
78L86.3Confident78.9Confident60 Ų6049.2 Ų49.231%0.31428%0.283SS..THydrogen-bonded Turntrans-60.9-28.5174.6-74.9176000114W74 L76 L80 S81 T89 K93W74-L78 HydrophobicContact CD2-CG 4.33Å; W74-L78 HydrophobicContact CG-CD1 4.46Å; W74-L78 HydrophobicContact CH2-CD2 4.48Å; W74-L78 HydrophobicContact CZ2-CD2 3.85Å; W74-L78 HydrophobicContact CZ2-CG 4.27Å; W74-L78 WeakPolarHBondContact O-CB 3.22Å; W74-L78 VanDerWaalsContact O-CG 3.27Å; W74-L78 WeakPolarHBondContact O-CG 3.38Å; W74-L78 PolarHBondContact O-N 2.95Å; L76-L78 VanDerWaalsContact C-N 3.28Å; L76-L78 PolarHBondContact O-N 3.09Å; L78-L80 VanDerWaalsContact C-N 3.29Å; L78-S81 PolarHBondContact O-OG 2.93Å; L78-T89 HydrophobicContact CD2-CG2 4.15Å; L78-K93 HydrophobicContact CD2-CD 4.38Å; L78-K93 HydrophobicContact CD2-CG 4.36Å
79Q82.7Confident80.8Confident100 Ų10042.4 Ų42.447%0.46725%0.247SC..THydrogen-bonded Turntrans-78.2-16.1174.5-71.3174-9.500112.7C75 L76 I77 Y135C75-Q79 WeakPolarHBondContact O-CG 3.32Å; L76-Q79 WeakPolarHBondContact O-CB 3.48Å; L76-Q79 PolarHBondContact O-N 3.29Å; I77-Q79 VanDerWaalsContact C-N 3.25Å; I77-Q79 PolarHBondContact O-N 3.32Å; Q79-Y135 PolarHBondContact NE2-OH 2.92Å; Q79-Y135 PolarHBondContact OE1-OH 2.82Å
80L84Confident82.4Confident2 Ų240.3 Ų40.31%0.0124%0.237CC..SBendtrans-100.20.1-179.8-60.2178.2000113.2L76 I77 L78 N82 L83 F86 L125 L128L76-L80 WeakPolarHBondContact O-CG 3.3Å; L76-L80 PolarHBondContact O-N 2.92Å; I77-L80 PolarHBondContact O-N 3.33Å; L78-L80 VanDerWaalsContact C-N 3.29Å; L80-N82 PolarHBondContact O-N 3.06Å; L80-L83 HydrophobicContact CB-CD1 4.49Å; L80-L83 HydrophobicContact CD2-CD1 4.32Å; L80-L83 WeakPolarHBondContact O-CD1 3.33Å; L80-L83 PolarHBondContact O-N 3.28Å; L80-F86 HydrophobicContact CB-CD1 4.03Å; L80-F86 HydrophobicContact CB-CD2 3.88Å; L80-F86 HydrophobicContact CB-CE1 4.08Å; L80-F86 HydrophobicContact CB-CE2 3.92Å; L80-F86 HydrophobicContact CB-CG 3.93Å; L80-F86 HydrophobicContact CB-CZ 4.02Å; L80-F86 HydrophobicContact CD1-CE1 4.08Å; L80-F86 HydrophobicContact CD1-CE2 3.9Å; L80-F86 HydrophobicContact CD1-CZ 3.55Å; L80-F86 HydrophobicContact CG-CZ 4.44Å; L80-F86 WeakPolarHBondContact O-CB 3.16Å; L80-L125 HydrophobicContact CD1-CB 4.31Å; L80-L125 HydrophobicContact CD1-CD1 3.62Å; L80-L128 HydrophobicContact CD2-CD2 3.41Å; L80-L128 VanDerWaalsContact CD2-CD2 3.41Å
81S82.7Confident83.6Confident25 Ų2537.9 Ų37.918%0.17522%0.222CC..THydrogen-bonded Turntrans-62.4-3-174.968.80000116I77 L78 K93I77-S81 PolarHBondContact O-N 2.95Å; L78-S81 PolarHBondContact O-OG 2.93Å; S81-K93 PolarHBondContact OG-NZ 2.9Å
82N80.7Confident84.2Confident151 Ų15136.6 Ų36.681%0.80722%0.217SC*.THydrogen-bonded Turntrans-89.3-12.6174.8-61.1-3.9000112.7L80L80-N82 PolarHBondContact O-N 3.06Å
83L84.1Confident84.2Confident57 Ų5740.4 Ų40.430%0.29823%0.233SC..SBendtrans-83.8146.5176.3-77.379.9000110.2L80 S85 F86 S87 D124L80-L83 HydrophobicContact CB-CD1 4.49Å; L80-L83 HydrophobicContact CD2-CD1 4.32Å; L80-L83 WeakPolarHBondContact O-CD1 3.33Å; L80-L83 PolarHBondContact O-N 3.28Å; L83-S85 VanDerWaalsContact C-N 3.29Å; L83-S85 PolarHBondContact O-N 3.49Å; L83-F86 HydrophobicContact CB-CD2 3.98Å; L83-F86 PolarHBondContact O-N 3.36Å; L83-S87 PolarHBondContact O-N 2.88Å; L83-D124 HydrophobicContact CD2-CB 3.88Å
84P78.7Confident84Confident105 Ų10546.8 Ų46.868%0.68227%0.267SS*.G310 helixtrans-59.3-39.8-175.423.5-33.8000112.6F86 S87P84-F86 PolarHBondContact O-N 3.43Å; P84-F86 VanDerWaalsContact O-N 3.11Å; P84-S87 VanDerWaalsContact O-CB 3.24Å; P84-S87 WeakPolarHBondContact O-CB 3.32Å; P84-S87 PolarHBondContact O-N 3.1Å; P84-S87 PolarHBondContact O-OG 3.25Å
85S81.1Confident83.7Confident16 Ų1648.8 Ų48.811%0.11228%0.278CS..G310 helixtrans-63.2-13.9177.8-34.90000113.8L83 H88 S120 D124L83-S85 VanDerWaalsContact C-N 3.29Å; L83-S85 PolarHBondContact O-N 3.49Å; S85-H88 PolarHBondContact O-CE1 3.47Å; S85-H88 VanDerWaalsContact O-CE1 3.31Å; S85-S120 PolarHBondContact OG-OG 2.93Å; S85-D124 WeakPolarHBondContact CB-OD2 3.13Å; S85-D124 PolarHBondContact OG-OD2 2.94Å
86F86.1Confident83Confident0 Ų054.1 Ų54.10%030%0.303CS..G310 helixtrans-111.78.5178.1-71.7-90.5000113.1I77 L80 L83 P84 H88 T89 W108 A121 D124 L125I77-F86 HydrophobicContact CB-CE1 4.47Å; I77-F86 HydrophobicContact CG1-CE1 4.29Å; I77-F86 HydrophobicContact CG2-CD1 3.94Å; I77-F86 HydrophobicContact CG2-CE1 4.1Å; L80-F86 HydrophobicContact CB-CD1 4.03Å; L80-F86 HydrophobicContact CB-CD2 3.88Å; L80-F86 HydrophobicContact CB-CE1 4.08Å; L80-F86 HydrophobicContact CB-CE2 3.92Å; L80-F86 HydrophobicContact CB-CG 3.93Å; L80-F86 HydrophobicContact CB-CZ 4.02Å; L80-F86 HydrophobicContact CD1-CE1 4.08Å; L80-F86 HydrophobicContact CD1-CE2 3.9Å; L80-F86 HydrophobicContact CD1-CZ 3.55Å; L80-F86 HydrophobicContact CG-CZ 4.44Å; L80-F86 WeakPolarHBondContact O-CB 3.16Å; L83-F86 HydrophobicContact CB-CD2 3.98Å; L83-F86 PolarHBondContact O-N 3.36Å; P84-F86 PolarHBondContact O-N 3.43Å; P84-F86 VanDerWaalsContact O-N 3.11Å; F86-H88 VanDerWaalsContact C-N 3.29Å; F86-H88 PolarHBondContact O-N 3.17Å; F86-T89 WeakPolarHBondContact O-CB 3.46Å; F86-T89 PolarHBondContact O-N 2.69Å; F86-T89 PolarHBondContact O-OG1 3.34Å; F86-W108 HydrophobicContact CD1-CH2 4.5Å; F86-W108 AromaticContact CD1-CZ2 3.6Å; F86-W108 HydrophobicContact CD1-CZ2 3.6Å; F86-W108 AromaticContact CE1-CH2 3.95Å; F86-W108 HydrophobicContact CE1-CH2 3.95Å; F86-W108 AromaticContact CE1-CZ2 3.48Å; F86-W108 HydrophobicContact CE1-CZ2 3.48Å; F86-W108 VanDerWaalsContact CE1-CZ2 3.48Å; F86-W108 HydrophobicContact CZ-CZ2 4.47Å; F86-A121 HydrophobicContact CE1-CB 4.29Å; F86-A121 HydrophobicContact CE2-CB 4.23Å; F86-A121 WeakPolarHBondContact CE2-O 2.99Å; F86-A121 HydrophobicContact CZ-CB 4.03Å; F86-A121 WeakPolarHBondContact CZ-O 3.29Å; F86-D124 HydrophobicContact CE2-CB 3.87Å; F86-L125 HydrophobicContact CZ-CB 4.37Å
87S82.9Confident82.4Confident76 Ų7658.7 Ų58.753%0.53133%0.325SS..THydrogen-bonded Turntrans-54.8-38.3-17652.10000114.2L83 P84 T89 S90L83-S87 PolarHBondContact O-N 2.88Å; P84-S87 VanDerWaalsContact O-CB 3.24Å; P84-S87 WeakPolarHBondContact O-CB 3.32Å; P84-S87 PolarHBondContact O-N 3.1Å; P84-S87 PolarHBondContact O-OG 3.25Å; S87-T89 PolarHBondContact O-N 2.95Å; S87-S90 PolarHBondContact O-N 3.42Å
88H86.5Confident81.8Confident4 Ų459 Ų592%0.01933%0.326CS..THydrogen-bonded Turntrans-69.8-8176.762.4-68.1000114.4S85 F86 S90 S91 V92 W108 L111 S112 C117S85-H88 PolarHBondContact O-CE1 3.47Å; S85-H88 VanDerWaalsContact O-CE1 3.31Å; F86-H88 VanDerWaalsContact C-N 3.29Å; F86-H88 PolarHBondContact O-N 3.17Å; H88-S90 PolarHBondContact O-N 2.76Å; H88-S91 VanDerWaalsContact O-CB 3.31Å; H88-S91 WeakPolarHBondContact O-CB 3.41Å; H88-S91 PolarHBondContact O-N 3.21Å; H88-V92 PolarHBondContact O-N 2.92Å; H88-W108 AromaticContact CD2-CD1 3.97Å; H88-W108 AromaticContact CD2-NE1 3.87Å; H88-W108 AromaticContact CE1-NE1 3.87Å; H88-W108 AromaticContact NE2-CD1 3.85Å; H88-W108 AromaticContact NE2-CE2 3.67Å; H88-W108 AromaticContact NE2-NE1 3.38Å; H88-W108 PolarHBondContact NE2-NE1 3.07Å; H88-L111 HydrophobicContact CB-CD2 3.95Å; H88-L111 HydrophobicContact CB-CG 4.35Å; H88-S112 PolarHBondContact NE2-OG 2.83Å; H88-C117 PolarHBondContact CE1-SG 2.97Å
89T87Confident81.4Confident0 Ų065 Ų650%035%0.349CS..Hα-helixtrans-57.1-30.9169.9-51.40000111.1W74 I77 L78 F86 S87 V92 K93 W108W74-T89 HydrophobicContact CH2-CG2 3.73Å; W74-T89 HydrophobicContact CZ2-CG2 4.46Å; W74-T89 HydrophobicContact CZ3-CG2 4.16Å; I77-T89 HydrophobicContact CG2-CG2 4.07Å; L78-T89 HydrophobicContact CD2-CG2 4.15Å; F86-T89 WeakPolarHBondContact O-CB 3.46Å; F86-T89 PolarHBondContact O-N 2.69Å; F86-T89 PolarHBondContact O-OG1 3.34Å; S87-T89 PolarHBondContact O-N 2.95Å; T89-V92 PolarHBondContact O-N 3Å; T89-K93 WeakPolarHBondContact O-CG 3.38Å; T89-K93 PolarHBondContact O-N 2.91Å; T89-K93 VanDerWaalsContact O-N 3.11Å; T89-W108 PolarHBondContact OG1-NE1 3.13Å; T89-W108 VanDerWaalsContact OG1-NE1 3.14Å
90S84.6Confident81.3Confident61 Ų6160.8 Ų60.843%0.42733%0.331SS..Hα-helixtrans-66.8-36.5173.3-63.20000112.8S87 H88 V92 K93 L94S87-S90 PolarHBondContact O-N 3.42Å; H88-S90 PolarHBondContact O-N 2.76Å; S90-V92 PolarHBondContact O-N 3.22Å; S90-K93 WeakPolarHBondContact O-CB 3.38Å; S90-K93 PolarHBondContact O-N 2.64Å; S90-L94 WeakPolarHBondContact O-CG 3.35Å; S90-L94 PolarHBondContact O-N 3.43Å
91S84.1Confident81.3Confident48 Ų4864.1 Ų64.134%0.33635%0.349SS..Hα-helixtrans-62.9-41.6174-51.40000111.6H88 K93 L94H88-S91 VanDerWaalsContact O-CB 3.31Å; H88-S91 WeakPolarHBondContact O-CB 3.41Å; H88-S91 PolarHBondContact O-N 3.21Å; S91-K93 VanDerWaalsContact C-N 3.33Å; S91-K93 PolarHBondContact O-N 2.67Å; S91-L94 PolarHBondContact O-N 2.92Å
92V82.9Confident81.4Confident1 Ų164.5 Ų64.51%0.00635%0.348CS..Hα-helixtrans-68.3-31.3177.6-177.10000112.1W74 H88 T89 S90 L94 L95 L98 K104 A107 W108 L111W74-V92 HydrophobicContact CH2-CB 3.88Å; W74-V92 HydrophobicContact CH2-CG1 3.6Å; W74-V92 HydrophobicContact CZ2-CG1 4.13Å; W74-V92 HydrophobicContact CZ3-CG1 4.25Å; H88-V92 PolarHBondContact O-N 2.92Å; T89-V92 PolarHBondContact O-N 3Å; S90-V92 PolarHBondContact O-N 3.22Å; V92-L94 PolarHBondContact O-N 3.41Å; V92-L95 PolarHBondContact O-N 2.89Å; V92-L98 HydrophobicContact CG1-CD1 4.33Å; V92-K104 HydrophobicContact CG1-CB 4.34Å; V92-A107 HydrophobicContact CG1-CB 4.24Å; V92-W108 HydrophobicContact CG1-CB 4.46Å; V92-W108 HydrophobicContact CG2-CB 4.07Å; V92-L111 HydrophobicContact CG2-CD2 3.76Å
93K83Confident81.6Confident94 Ų9457.6 Ų57.641%0.40931%0.311SS..Hα-helixtrans-64-27173.6-73.4170.8-175.31670113.2L78 S81 T89 S90 S91 L95L78-K93 HydrophobicContact CD2-CD 4.38Å; L78-K93 HydrophobicContact CD2-CG 4.36Å; S81-K93 PolarHBondContact OG-NZ 2.9Å; T89-K93 WeakPolarHBondContact O-CG 3.38Å; T89-K93 PolarHBondContact O-N 2.91Å; T89-K93 VanDerWaalsContact O-N 3.11Å; S90-K93 WeakPolarHBondContact O-CB 3.38Å; S90-K93 PolarHBondContact O-N 2.64Å; S91-K93 VanDerWaalsContact C-N 3.33Å; S91-K93 PolarHBondContact O-N 2.67Å; K93-L95 VanDerWaalsContact C-N 3.32Å
94L81.2Confident81.7Confident136 Ų13657.5 Ų57.571%0.71231%0.308SS*.THydrogen-bonded Turntrans-83.5-4179.2-64167.9000113.3S90 S91 V92 D96S90-L94 WeakPolarHBondContact O-CG 3.35Å; S90-L94 PolarHBondContact O-N 3.43Å; S91-L94 PolarHBondContact O-N 2.92Å; V92-L94 PolarHBondContact O-N 3.41Å; L94-D96 PolarHBondContact O-N 3.1Å; L94-D96 VanDerWaalsContact O-N 3.13Å
95L80.2Confident82.2Confident48 Ų4852.5 Ų52.525%0.25128%0.276SS..  trans-85.479.8179-59-176.2000110.4V92 K93 H97 L98 A107V92-L95 PolarHBondContact O-N 2.89Å; K93-L95 VanDerWaalsContact C-N 3.32Å; L95-H97 PolarHBondContact O-N 3.27Å; L95-L98 HydrophobicContact CB-CD1 3.72Å; L95-L98 HydrophobicContact CB-CG 4Å; L95-L98 HydrophobicContact CD1-CD1 3.76Å; L95-L98 HydrophobicContact CG-CD1 4.38Å; L95-L98 PolarHBondContact O-N 2.97Å; L95-A107 HydrophobicContact CD1-CB 4.39Å
96D71Confident82.6Confident148 Ų14853.1 Ų53.179%0.79128%0.276SS*.THydrogen-bonded Turntrans-60-19-175.1-71.6-29.6000114.9L94 L98L94-D96 PolarHBondContact O-N 3.1Å; L94-D96 VanDerWaalsContact O-N 3.13Å; D96-L98 VanDerWaalsContact C-N 3.3Å; D96-L98 PolarHBondContact O-N 3.3Å
97H73.6Confident82.7Confident100 Ų10053.5 Ų53.546%0.46328%0.279SS..THydrogen-bonded Turntrans-68.8-27.9174.359.5-92.1000112.8L95 K99L95-H97 PolarHBondContact O-N 3.27Å; H97-K99 PolarHBondContact O-N 3.14Å; H97-K99 VanDerWaalsContact O-N 3.1Å
98L75.2Confident83.1Confident6 Ų649.9 Ų49.93%0.03125%0.254CS..  trans-8094.2-178.3-56.3177.4000110.2V92 L95 D96 K104 A107 E169V92-L98 HydrophobicContact CG1-CD1 4.33Å; L95-L98 HydrophobicContact CB-CD1 3.72Å; L95-L98 HydrophobicContact CB-CG 4Å; L95-L98 HydrophobicContact CD1-CD1 3.76Å; L95-L98 HydrophobicContact CG-CD1 4.38Å; L95-L98 PolarHBondContact O-N 2.97Å; D96-L98 VanDerWaalsContact C-N 3.3Å; D96-L98 PolarHBondContact O-N 3.3Å; L98-K104 HydrophobicContact CB-CG 3.81Å; L98-K104 HydrophobicContact CD1-CG 4.37Å; L98-K104 WeakPolarHBondContact O-CE 3.44Å; L98-K104 PolarHBondContact O-NZ 3.38Å; L98-A107 HydrophobicContact CD1-CB 3.36Å; L98-E169 HydrophobicContact CD2-CG 4.39Å
99K76.9Confident83.3Confident186 Ų18649.8 Ų49.881%0.80925%0.253SS*.  trans-83.1-28.9178.7-66.4177.8-176.4173.10113H97H97-K99 PolarHBondContact O-N 3.14Å; H97-K99 VanDerWaalsContact O-N 3.1Å
100S80.9Confident83.5Confident13 Ų1350.6 Ų50.69%0.09126%0.257CS..SBendtrans-88143.6-175.8-175.10000111.9F102 S103 K104 S174S100-F102 PolarHBondContact O-N 3.17Å; S100-F102 PolarHBondContact OG-N 2.59Å; S100-S103 PolarHBondContact O-N 3.49Å; S100-S103 PolarHBondContact O-OG 2.95Å; S100-K104 WeakPolarHBondContact O-CG 3.21Å; S100-K104 PolarHBondContact O-N 3.31Å; S100-S174 WeakPolarHBondContact CB-O 3.3Å; S100-S174 PolarHBondContact OG-O 3.09Å
101N84.5Confident83.7Confident71 Ų7148.6 Ų48.638%0.3824%0.241SC..Hα-helixtrans-64.7-28.6169.6-75.3-30.1000111.3H72 W74 L105H72-N101 PolarHBondContact CE1-O 3.37Å; H72-N101 VanDerWaalsContact NE2-C 3.3Å; H72-N101 VanDerWaalsContact NE2-CB 3.33Å; H72-N101 WeakPolarHBondContact NE2-CB 3.42Å; W74-N101 HydrophobicContact CB-CB 4.5Å; N101-L105 WeakPolarHBondContact O-CB 3.49Å; N101-L105 PolarHBondContact O-N 2.64Å
102F84.9Confident84Confident33 Ų3346.3 Ų46.315%0.14523%0.225CC..Hα-helixtrans-65.4-50.2174.6-70.3-95.8000110.5Y55 H72 S100 K104 L105 R106 Y175 V177Y55-F102 HydrophobicContact CE1-CE1 4.07Å; Y55-F102 HydrophobicContact CE2-CD1 4.36Å; Y55-F102 HydrophobicContact CE2-CE1 4.31Å; Y55-F102 AromaticContact CZ-CD1 3.87Å; Y55-F102 AromaticContact CZ-CE1 3.63Å; Y55-F102 WeakPolarHBondContact OH-CD1 3.45Å; Y55-F102 VanDerWaalsContact OH-CE1 3.23Å; Y55-F102 WeakPolarHBondContact OH-CE1 3.39Å; H72-F102 AromaticContact NE2-CD2 3.66Å; H72-F102 AromaticContact NE2-CE2 3.91Å; H72-F102 AromaticContact NE2-CG 3.75Å; H72-F102 PolarHBondContact NE2-N 3.39Å; S100-F102 PolarHBondContact O-N 3.17Å; S100-F102 PolarHBondContact OG-N 2.59Å; F102-K104 VanDerWaalsContact C-N 3.33Å; F102-K104 PolarHBondContact O-N 2.99Å; F102-L105 WeakPolarHBondContact O-CB 3.48Å; F102-L105 PolarHBondContact O-N 3.21Å; F102-L105 VanDerWaalsContact O-N 3.11Å; F102-R106 PolarHBondContact O-N 2.93Å; F102-Y175 WeakPolarHBondContact CE2-O 2.99Å; F102-V177 HydrophobicContact CE1-CG2 4.12Å
103S84.5Confident84.3Confident6 Ų646.5 Ų46.54%0.04223%0.226CC..Hα-helixtrans-68.3-31.3179.866.90000112.9S100 R106 A107 E169S100-S103 PolarHBondContact O-N 3.49Å; S100-S103 PolarHBondContact O-OG 2.95Å; S103-R106 PolarHBondContact O-N 2.96Å; S103-A107 WeakPolarHBondContact O-CB 3.34Å; S103-A107 PolarHBondContact O-N 3.06Å; S103-E169 WeakPolarHBondContact CB-OE1 3.45Å; S103-E169 PolarHBondContact OG-OE1 3Å
104K86.8Confident84.6Confident55 Ų5544.9 Ų44.924%0.23922%0.224CC..Hα-helixtrans-62.1-43.3167-69.4-179.7-170.2-170.50113.3W74 V92 L98 S100 F102 W108W74-K104 HydrophobicContact CD2-CB 3.89Å; W74-K104 HydrophobicContact CE3-CB 4.39Å; W74-K104 HydrophobicContact CG-CB 4.27Å; W74-K104 HydrophobicContact CH2-CB 4.47Å; W74-K104 HydrophobicContact CZ2-CB 3.95Å; W74-K104 HydrophobicContact CZ2-CD 4.21Å; W74-K104 HydrophobicContact CZ2-CG 4.48Å; V92-K104 HydrophobicContact CG1-CB 4.34Å; L98-K104 HydrophobicContact CB-CG 3.81Å; L98-K104 HydrophobicContact CD1-CG 4.37Å; L98-K104 WeakPolarHBondContact O-CE 3.44Å; L98-K104 PolarHBondContact O-NZ 3.38Å; S100-K104 WeakPolarHBondContact O-CG 3.21Å; S100-K104 PolarHBondContact O-N 3.31Å; F102-K104 VanDerWaalsContact C-N 3.33Å; F102-K104 PolarHBondContact O-N 2.99Å; K104-W108 WeakPolarHBondContact O-CB 3.09Å; K104-W108 PolarHBondContact O-N 3.47Å
105L89.2Confident84.8Confident0 Ų044.8 Ų44.80%021%0.214CC..Hα-helixtrans-63-44.9175.6179.565000111.3E51 F54 Y55 P73 W74 I77 N101 F102 W108 I109E51-L105 HydrophobicContact CG-CD2 4.45Å; F54-L105 HydrophobicContact CB-CD2 4.34Å; Y55-L105 HydrophobicContact CE2-CD2 3.62Å; P73-L105 HydrophobicContact CB-CD1 4.24Å; P73-L105 HydrophobicContact CB-CD2 3.98Å; P73-L105 HydrophobicContact CG-CD2 4.08Å; W74-L105 HydrophobicContact CB-CB 4.5Å; I77-L105 HydrophobicContact CD1-CD1 3.39Å; N101-L105 WeakPolarHBondContact O-CB 3.49Å; N101-L105 PolarHBondContact O-N 2.64Å; F102-L105 WeakPolarHBondContact O-CB 3.48Å; F102-L105 PolarHBondContact O-N 3.21Å; F102-L105 VanDerWaalsContact O-N 3.11Å; L105-W108 WeakPolarHBondContact O-CB 3.31Å; L105-W108 PolarHBondContact O-N 3.11Å; L105-I109 HydrophobicContact CD1-CD1 4.38Å; L105-I109 HydrophobicContact CG-CD1 4.13Å; L105-I109 WeakPolarHBondContact O-CG1 3.35Å; L105-I109 PolarHBondContact O-N 3.27Å
106R88.9Confident85.2Confident30 Ų3044.2 Ų44.211%0.11321%0.214CC..Hα-helixtrans-60.5-50.2176-73.3-173.9-176.1125.336.4112.7E51 F102 S103 W108 I109 K110 Y173 C176E51-R106 IonicContact OE1-CZ 3.93Å; E51-R106 IonicContact OE1-NE 3.07Å; E51-R106 IonicContact OE1-NH2 2.86Å; E51-R106 PolarHBondContact OE1-NH2 3.25Å; E51-R106 WeakPolarHBondContact OE2-CG 3.33Å; E51-R106 IonicContact OE2-CZ 3.5Å; E51-R106 IonicContact OE2-NE 3.47Å; E51-R106 PolarHBondContact OE2-NE 3.21Å; E51-R106 IonicContact OE2-NH2 2.76Å; E51-R106 PolarHBondContact OE2-NH2 3.22Å; F102-R106 PolarHBondContact O-N 2.93Å; S103-R106 PolarHBondContact O-N 2.96Å; R106-W108 PolarHBondContact O-N 3Å; R106-I109 PolarHBondContact O-N 3.36Å; R106-I109 VanDerWaalsContact O-N 3.1Å; R106-K110 PolarHBondContact O-N 3.47Å; R106-Y173 PolarHBondContact NH1-O 3.34Å; R106-Y173 PolarHBondContact NH2-O 2.86Å; R106-Y173 VanDerWaalsContact NH2-O 3.17Å; R106-C176 PolarHBondContact NH2-O 2.74Å
107A88Confident86.1Confident7 Ų738.4 Ų38.46%0.05818%0.184CC..Hα-helixtrans-60-35.5177.700000111.5V92 L95 L98 S103 L111V92-A107 HydrophobicContact CG1-CB 4.24Å; L95-A107 HydrophobicContact CD1-CB 4.39Å; L98-A107 HydrophobicContact CD1-CB 3.36Å; S103-A107 WeakPolarHBondContact O-CB 3.34Å; S103-A107 PolarHBondContact O-N 3.06Å; A107-L111 WeakPolarHBondContact O-CB 3.15Å; A107-L111 PolarHBondContact O-N 3.11Å
108W91.2Very high87Confident1 Ų133.9 Ų33.90%0.00416%0.163CC..Hα-helixtrans-67.3-43.4172.4-175.189.5000113F54 W74 I77 F86 H88 T89 V92 K104 L105 R106 L111 S112 L118 A121F54-W108 HydrophobicContact CE1-CZ3 4.38Å; F54-W108 HydrophobicContact CE2-CZ3 4.4Å; F54-W108 HydrophobicContact CZ-CH2 4.45Å; F54-W108 AromaticContact CZ-CZ3 3.8Å; F54-W108 HydrophobicContact CZ-CZ3 3.8Å; W74-W108 HydrophobicContact CE3-CB 4.34Å; W74-W108 HydrophobicContact CH2-CB 4.46Å; W74-W108 HydrophobicContact CZ3-CB 3.63Å; W74-W108 AromaticContact CZ3-CD1 3.8Å; W74-W108 AromaticContact CZ3-CG 3.77Å; W74-W108 HydrophobicContact CZ3-CG 3.77Å; I77-W108 HydrophobicContact CD1-CD2 4.03Å; I77-W108 HydrophobicContact CD1-CE3 3.75Å; I77-W108 HydrophobicContact CD1-CH2 4.34Å; I77-W108 HydrophobicContact CD1-CZ3 3.92Å; I77-W108 HydrophobicContact CG2-CD2 4.13Å; I77-W108 HydrophobicContact CG2-CG 4.35Å; I77-W108 HydrophobicContact CG2-CZ2 4.17Å; F86-W108 HydrophobicContact CD1-CH2 4.5Å; F86-W108 AromaticContact CD1-CZ2 3.6Å; F86-W108 HydrophobicContact CD1-CZ2 3.6Å; F86-W108 AromaticContact CE1-CH2 3.95Å; F86-W108 HydrophobicContact CE1-CH2 3.95Å; F86-W108 AromaticContact CE1-CZ2 3.48Å; F86-W108 HydrophobicContact CE1-CZ2 3.48Å; F86-W108 VanDerWaalsContact CE1-CZ2 3.48Å; F86-W108 HydrophobicContact CZ-CZ2 4.47Å; H88-W108 AromaticContact CD2-CD1 3.97Å; H88-W108 AromaticContact CD2-NE1 3.87Å; H88-W108 AromaticContact CE1-NE1 3.87Å; H88-W108 AromaticContact NE2-CD1 3.85Å; H88-W108 AromaticContact NE2-CE2 3.67Å; H88-W108 AromaticContact NE2-NE1 3.38Å; H88-W108 PolarHBondContact NE2-NE1 3.07Å; T89-W108 PolarHBondContact OG1-NE1 3.13Å; T89-W108 VanDerWaalsContact OG1-NE1 3.14Å; V92-W108 HydrophobicContact CG1-CB 4.46Å; V92-W108 HydrophobicContact CG2-CB 4.07Å; K104-W108 WeakPolarHBondContact O-CB 3.09Å; K104-W108 PolarHBondContact O-N 3.47Å; L105-W108 WeakPolarHBondContact O-CB 3.31Å; L105-W108 PolarHBondContact O-N 3.11Å; R106-W108 PolarHBondContact O-N 3Å; W108-L111 PolarHBondContact O-N 3.49Å; W108-S112 WeakPolarHBondContact O-CB 3.24Å; W108-S112 PolarHBondContact O-N 2.82Å; W108-S112 PolarHBondContact O-OG 3.29Å; W108-L118 HydrophobicContact CH2-CD1 4.49Å; W108-L118 HydrophobicContact CZ3-CD1 4.16Å; W108-A121 HydrophobicContact CH2-CB 3.79Å; W108-A121 HydrophobicContact CZ2-CB 3.91Å
109I91.4Very high87.8Confident2 Ų235.2 Ų35.21%0.0117%0.169CC..Hα-helixtrans-61.1-49.9174.9-67.3168.3000110.3L47 L50 E51 F54 L105 R106 L111 S112 L113L47-I109 HydrophobicContact CD2-CG2 4.13Å; L50-I109 HydrophobicContact CB-CG2 4.15Å; L50-I109 HydrophobicContact CD1-CG2 3.84Å; E51-I109 HydrophobicContact CB-CD1 4.33Å; F54-I109 HydrophobicContact CD2-CD1 3.76Å; F54-I109 HydrophobicContact CD2-CG1 4.3Å; F54-I109 HydrophobicContact CE2-CD1 4.03Å; F54-I109 HydrophobicContact CE2-CG1 4.07Å; L105-I109 HydrophobicContact CD1-CD1 4.38Å; L105-I109 HydrophobicContact CG-CD1 4.13Å; L105-I109 WeakPolarHBondContact O-CG1 3.35Å; L105-I109 PolarHBondContact O-N 3.27Å; R106-I109 PolarHBondContact O-N 3.36Å; R106-I109 VanDerWaalsContact O-N 3.1Å; I109-L111 VanDerWaalsContact C-N 3.32Å; I109-L111 PolarHBondContact O-N 3.42Å; I109-S112 WeakPolarHBondContact O-CB 3.47Å; I109-S112 PolarHBondContact O-N 3.21Å; I109-L113 HydrophobicContact CG2-CD1 4.34Å; I109-L113 WeakPolarHBondContact O-CG 3.15Å; I109-L113 PolarHBondContact O-N 3.4Å
110K90.7Very high88.5Confident17 Ų1728 Ų287%0.07414%0.143CC..Hα-helixtrans-54-46.9174.3-73.5-173.5164-172.30111.2D38 L47 R106 L113 V114 L164 D165 F166D38-K110 VanDerWaalsContact OD1-CE 3.24Å; D38-K110 WeakPolarHBondContact OD1-CE 3.41Å; D38-K110 IonicContact OD1-NZ 2.57Å; D38-K110 PolarHBondContact OD1-NZ 3Å; D38-K110 IonicContact OD2-NZ 2.79Å; D38-K110 PolarHBondContact OD2-NZ 3.33Å; L47-K110 HydrophobicContact CD1-CG 4.18Å; L47-K110 HydrophobicContact CD2-CG 4.12Å; R106-K110 PolarHBondContact O-N 3.47Å; K110-L113 PolarHBondContact O-N 3.26Å; K110-V114 WeakPolarHBondContact O-CG2 3.31Å; K110-V114 PolarHBondContact O-N 3.29Å; K110-L164 HydrophobicContact CB-CB 4.36Å; K110-L164 HydrophobicContact CB-CD1 4.21Å; K110-L164 HydrophobicContact CD-CB 4.38Å; K110-L164 HydrophobicContact CG-CB 4.38Å; K110-L164 HydrophobicContact CG-CD1 4.18Å; K110-D165 WeakPolarHBondContact CD-O 3.3Å; K110-D165 PolarHBondContact NZ-O 2.67Å; K110-F166 HydrophobicContact CB-CD1 4.36Å; K110-F166 HydrophobicContact CB-CE1 3.84Å
111L88.8Confident89Confident19 Ų1927.4 Ų27.410%0.09914%0.139CC..Hα-helixtrans-70.8-31.3-178.8-167.562000113.2H88 V92 A107 W108 I109 R115 F166H88-L111 HydrophobicContact CB-CD2 3.95Å; H88-L111 HydrophobicContact CB-CG 4.35Å; V92-L111 HydrophobicContact CG2-CD2 3.76Å; A107-L111 WeakPolarHBondContact O-CB 3.15Å; A107-L111 PolarHBondContact O-N 3.11Å; W108-L111 PolarHBondContact O-N 3.49Å; I109-L111 VanDerWaalsContact C-N 3.32Å; I109-L111 PolarHBondContact O-N 3.42Å; L111-R115 WeakPolarHBondContact O-CB 3.46Å; L111-R115 PolarHBondContact O-N 3.3Å; L111-R115 VanDerWaalsContact O-N 3.08Å; L111-F166 HydrophobicContact CB-CE1 3.84Å; L111-F166 HydrophobicContact CB-CZ 4.19Å; L111-F166 HydrophobicContact CD1-CE1 4.05Å; L111-F166 HydrophobicContact CD1-CE2 4.4Å; L111-F166 HydrophobicContact CD1-CZ 3.6Å
112S89.9Confident89.3Confident0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-67.1-35.5172.4-64.70000112.2H88 W108 I109 C116 C117 L118H88-S112 PolarHBondContact NE2-OG 2.83Å; W108-S112 WeakPolarHBondContact O-CB 3.24Å; W108-S112 PolarHBondContact O-N 2.82Å; W108-S112 PolarHBondContact O-OG 3.29Å; I109-S112 WeakPolarHBondContact O-CB 3.47Å; I109-S112 PolarHBondContact O-N 3.21Å; S112-C116 PolarHBondContact O-N 2.61Å; S112-C117 PolarHBondContact O-N 2.88Å; S112-L118 PolarHBondContact O-N 3.4Å
113L90.3Very high89.6Confident5 Ų525.2 Ų25.23%0.02613%0.128CC..Hα-helixtrans-70.6-48.9174.3-71.5168.7000111.4F46 L47 L50 I109 K110 R115 C116 L118 L157 F162 L164F46-L113 HydrophobicContact CD1-CD1 4.48Å; F46-L113 HydrophobicContact CE1-CD1 3.8Å; F46-L113 HydrophobicContact CE1-CD2 3.89Å; F46-L113 HydrophobicContact CZ-CD2 4.04Å; L47-L113 HydrophobicContact CD2-CD1 3.6Å; L50-L113 HydrophobicContact CD1-CD1 3.88Å; L50-L113 HydrophobicContact CD1-CD2 4.26Å; L50-L113 HydrophobicContact CD1-CG 4.41Å; I109-L113 HydrophobicContact CG2-CD1 4.34Å; I109-L113 WeakPolarHBondContact O-CG 3.15Å; I109-L113 PolarHBondContact O-N 3.4Å; K110-L113 PolarHBondContact O-N 3.26Å; L113-R115 PolarHBondContact O-N 2.86Å; L113-C116 PolarHBondContact O-N 3.22Å; L113-L118 HydrophobicContact CD2-CB 4.4Å; L113-L118 HydrophobicContact CD2-CD2 3.63Å; L113-L118 HydrophobicContact CG-CD2 4.08Å; L113-L157 HydrophobicContact CD2-CD1 4.26Å; L113-F162 HydrophobicContact CB-CD2 4.04Å; L113-F162 HydrophobicContact CB-CE2 4.38Å; L113-F162 HydrophobicContact CB-CG 4.25Å; L113-F162 HydrophobicContact CD2-CE2 4.09Å; L113-F162 HydrophobicContact CD2-CZ 4.28Å; L113-L164 HydrophobicContact CB-CD1 4.17Å; L113-L164 HydrophobicContact CD1-CD1 4.03Å
114V88.1Confident89.9Confident60 Ų6026.2 Ų26.236%0.36413%0.133SC..Hα-helixtrans-60.6-26.3176.7173.10000112.5K110 F162 L164 F166K110-V114 WeakPolarHBondContact O-CG2 3.31Å; K110-V114 PolarHBondContact O-N 3.29Å; V114-F162 HydrophobicContact CG2-CB 4.22Å; V114-L164 HydrophobicContact CG2-CB 4.08Å; V114-L164 HydrophobicContact CG2-CD1 4.36Å; V114-L164 HydrophobicContact CG2-CG 4.4Å; V114-F166 HydrophobicContact CG2-CZ 4.42Å
115R86.4Confident90Very high133 Ų13323.8 Ų23.850%0.50212%0.123SC..THydrogen-bonded Turntrans-945.2173.2-76.8-166.4157.592.63.8114.7L111 L113 C117L111-R115 WeakPolarHBondContact O-CB 3.46Å; L111-R115 PolarHBondContact O-N 3.3Å; L111-R115 VanDerWaalsContact O-N 3.08Å; L113-R115 PolarHBondContact O-N 2.86Å; R115-C117 PolarHBondContact O-N 3.46Å
116C88.1Confident90Very high37 Ų3724.2 Ų24.225%0.2513%0.125CC..THydrogen-bonded Turntrans55.515.2-177.7-610000115.2S112 L113 H119 E158S112-C116 PolarHBondContact O-N 2.61Å; L113-C116 PolarHBondContact O-N 3.22Å; C116-H119 PolarHBondContact O-CE1 2.85Å; C116-H119 PolarHBondContact O-ND1 3.2Å; C116-E158 HydrophobicContact CB-CB 4.49Å; C116-E158 HydrophobicContact CB-CG 4.09Å; C116-E158 PolarHBondContact SG-O 3.04Å
117C90.1Very high89.9Confident25 Ų2528.6 Ų28.617%0.16915%0.147CC..  trans-103.82.7-169.5680000114.3H88 S112 R115 H119 S120 A121H88-C117 PolarHBondContact CE1-SG 2.97Å; S112-C117 PolarHBondContact O-N 2.88Å; R115-C117 PolarHBondContact O-N 3.46Å; C117-H119 VanDerWaalsContact C-N 3.32Å; C117-H119 PolarHBondContact O-N 2.96Å; C117-S120 PolarHBondContact O-N 3.48Å; C117-S120 VanDerWaalsContact O-N 3.16Å; C117-A121 PolarHBondContact O-N 2.94Å
118L92Very high89.6Confident5 Ų531.3 Ų31.33%0.02616%0.16CC..Hα-helixtrans-57.3-41.7-177.8-176.664.2000112.7L50 W108 S112 L113 S120 A121 M122 L154L50-L118 HydrophobicContact CD1-CD2 3.71Å; L50-L118 HydrophobicContact CD2-CD2 4.07Å; W108-L118 HydrophobicContact CH2-CD1 4.49Å; W108-L118 HydrophobicContact CZ3-CD1 4.16Å; S112-L118 PolarHBondContact O-N 3.4Å; L113-L118 HydrophobicContact CD2-CB 4.4Å; L113-L118 HydrophobicContact CD2-CD2 3.63Å; L113-L118 HydrophobicContact CG-CD2 4.08Å; L118-S120 VanDerWaalsContact C-N 3.35Å; L118-S120 PolarHBondContact O-N 3.4Å; L118-A121 PolarHBondContact O-N 2.87Å; L118-M122 HydrophobicContact CD1-CG 4.34Å; L118-M122 HydrophobicContact CD1-SD 4.2Å; L118-M122 HydrophobicContact CG-SD 4.1Å; L118-M122 WeakPolarHBondContact O-CB 3.49Å; L118-M122 WeakPolarHBondContact O-CG 3.49Å; L118-M122 PolarHBondContact O-N 3.39Å; L118-L154 HydrophobicContact CD2-CD2 4.36Å
119H92.1Very high89Confident34 Ų3438.3 Ų38.316%0.15719%0.191CC..Hα-helixtrans-59.5-45.6177.671.2-96.9000111.3C116 C117 M122 L123 I151 L154 V155 E158C116-H119 PolarHBondContact O-CE1 2.85Å; C116-H119 PolarHBondContact O-ND1 3.2Å; C117-H119 VanDerWaalsContact C-N 3.32Å; C117-H119 PolarHBondContact O-N 2.96Å; H119-M122 PolarHBondContact O-N 3.23Å; H119-L123 WeakPolarHBondContact O-CB 3.3Å; H119-L123 PolarHBondContact O-N 2.88Å; H119-I151 HydrophobicContact CB-CG2 4.45Å; H119-L154 HydrophobicContact CB-CB 3.75Å; H119-V155 HydrophobicContact CB-CG2 4.18Å; H119-E158 IonicContact CE1-OE2 2.65Å
120S91.4Very high88.4Confident35 Ų3542.1 Ų42.125%0.24522%0.215CC..Hα-helixtrans-68.1-43.5-178.9177.60000111.8S85 C117 L118 M122 L123 D124S85-S120 PolarHBondContact OG-OG 2.93Å; C117-S120 PolarHBondContact O-N 3.48Å; C117-S120 VanDerWaalsContact O-N 3.16Å; L118-S120 VanDerWaalsContact C-N 3.35Å; L118-S120 PolarHBondContact O-N 3.4Å; S120-M122 VanDerWaalsContact C-N 3.33Å; S120-M122 PolarHBondContact O-N 3.03Å; S120-L123 PolarHBondContact O-N 2.83Å; S120-D124 PolarHBondContact O-N 3.05Å
121A91Very high87.8Confident1 Ų142.9 Ų42.91%0.00822%0.22CC..Hα-helixtrans-63.3-37.1174.500000112.6F86 W108 C117 L118 L125F86-A121 HydrophobicContact CE1-CB 4.29Å; F86-A121 HydrophobicContact CE2-CB 4.23Å; F86-A121 WeakPolarHBondContact CE2-O 2.99Å; F86-A121 HydrophobicContact CZ-CB 4.03Å; F86-A121 WeakPolarHBondContact CZ-O 3.29Å; W108-A121 HydrophobicContact CH2-CB 3.79Å; W108-A121 HydrophobicContact CZ2-CB 3.91Å; C117-A121 PolarHBondContact O-N 2.94Å; L118-A121 PolarHBondContact O-N 2.87Å; A121-L125 VanDerWaalsContact O-CB 3.32Å; A121-L125 WeakPolarHBondContact O-CB 3.41Å; A121-L125 PolarHBondContact O-N 3.45Å; A121-L125 VanDerWaalsContact O-N 3.15Å
122M91.7Very high87.5Confident0 Ų042.2 Ų42.20%022%0.217CC..Hα-helixtrans-70.4-36.6174.2-74.8-179.861.800112.4F54 L118 H119 S120 L125 V126 F142 I147 L150 I151 L154F54-M122 HydrophobicContact CZ-CG 4.15Å; F54-M122 HydrophobicContact CZ-SD 4.45Å; L118-M122 HydrophobicContact CD1-CG 4.34Å; L118-M122 HydrophobicContact CD1-SD 4.2Å; L118-M122 HydrophobicContact CG-SD 4.1Å; L118-M122 WeakPolarHBondContact O-CB 3.49Å; L118-M122 WeakPolarHBondContact O-CG 3.49Å; L118-M122 PolarHBondContact O-N 3.39Å; H119-M122 PolarHBondContact O-N 3.23Å; S120-M122 VanDerWaalsContact C-N 3.33Å; S120-M122 PolarHBondContact O-N 3.03Å; M122-L125 WeakPolarHBondContact O-CB 3.47Å; M122-L125 PolarHBondContact O-N 3.38Å; M122-V126 WeakPolarHBondContact O-CG2 3.4Å; M122-V126 PolarHBondContact O-N 2.94Å; M122-V126 VanDerWaalsContact O-N 3.07Å; M122-F142 HydrophobicContact CE-CE1 3.8Å; M122-F142 HydrophobicContact CE-CZ 4.04Å; M122-F142 HydrophobicContact CG-CE1 4.22Å; M122-I147 HydrophobicContact CE-CD1 3.91Å; M122-L150 HydrophobicContact CE-CD2 4.36Å; M122-I151 HydrophobicContact CB-CD1 4.31Å; M122-I151 HydrophobicContact CB-CG1 4.1Å; M122-L154 HydrophobicContact CE-CD1 3.95Å; M122-L154 HydrophobicContact SD-CD1 3.46Å; M122-L154 WeakPolarHBondContact SD-CD1 3.44Å
123L91.1Very high87.2Confident57 Ų5745 Ų4530%0.29823%0.234SC..Hα-helixtrans-62.2-50.9175.3-176.361.4000111.6H119 S120 L125 V126 Q127 F148 I151H119-L123 WeakPolarHBondContact O-CB 3.3Å; H119-L123 PolarHBondContact O-N 2.88Å; S120-L123 PolarHBondContact O-N 2.83Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.44Å; L123-V126 PolarHBondContact O-N 3.31Å; L123-V126 VanDerWaalsContact O-N 3.13Å; L123-Q127 WeakPolarHBondContact O-CG 3.27Å; L123-Q127 PolarHBondContact O-N 2.93Å; L123-F148 HydrophobicContact CD1-CD1 4.29Å; L123-F148 HydrophobicContact CD1-CE1 4.03Å; L123-I151 HydrophobicContact CB-CD1 4.48Å; L123-I151 HydrophobicContact CB-CG2 4.27Å; L123-I151 HydrophobicContact CD1-CD1 4.46Å
124D89.6Confident86.8Confident27 Ų2750.2 Ų50.214%0.14426%0.256CS..Hα-helixtrans-57.4-39.7175.6-81.5-7000112.3L83 S85 F86 S120 Q127 L128L83-D124 HydrophobicContact CD2-CB 3.88Å; S85-D124 WeakPolarHBondContact CB-OD2 3.13Å; S85-D124 PolarHBondContact OG-OD2 2.94Å; F86-D124 HydrophobicContact CE2-CB 3.87Å; S120-D124 PolarHBondContact O-N 3.05Å; D124-Q127 PolarHBondContact O-N 3.07Å; D124-L128 PolarHBondContact O-N 3.05Å
125L89.4Confident86.6Confident5 Ų548.8 Ų48.83%0.02625%0.245CC..Hα-helixtrans-63.3-38.9176.8176.562.1000112.6F54 L76 L80 F86 A121 M122 L123 L132 F142F54-L125 HydrophobicContact CD1-CD2 4.48Å; F54-L125 HydrophobicContact CE1-CD2 3.8Å; L76-L125 HydrophobicContact CD2-CD1 3.61Å; L76-L125 HydrophobicContact CG-CD1 3.86Å; L80-L125 HydrophobicContact CD1-CB 4.31Å; L80-L125 HydrophobicContact CD1-CD1 3.62Å; F86-L125 HydrophobicContact CZ-CB 4.37Å; A121-L125 VanDerWaalsContact O-CB 3.32Å; A121-L125 WeakPolarHBondContact O-CB 3.41Å; A121-L125 PolarHBondContact O-N 3.45Å; A121-L125 VanDerWaalsContact O-N 3.15Å; M122-L125 WeakPolarHBondContact O-CB 3.47Å; M122-L125 PolarHBondContact O-N 3.38Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.44Å; L125-L132 HydrophobicContact CD1-CD1 4.14Å; L125-L132 HydrophobicContact CG-CD1 4.26Å; L125-F142 HydrophobicContact CD2-CD1 3.84Å; L125-F142 HydrophobicContact CD2-CE1 3.54Å; L125-F142 HydrophobicContact CD2-CZ 3.99Å; L125-F142 HydrophobicContact CG-CD1 4.21Å; L125-F142 HydrophobicContact CG-CE1 4.35Å
126V89.1Confident86.5Confident8 Ų842.5 Ų42.55%0.04822%0.221CC..Hα-helixtrans-74.2-38.5176.81740000111.5M122 L123 L128 F142 I147 F148 I151M122-V126 WeakPolarHBondContact O-CG2 3.4Å; M122-V126 PolarHBondContact O-N 2.94Å; M122-V126 VanDerWaalsContact O-N 3.07Å; L123-V126 PolarHBondContact O-N 3.31Å; L123-V126 VanDerWaalsContact O-N 3.13Å; V126-L128 PolarHBondContact O-N 2.89Å; V126-F142 HydrophobicContact CG2-CB 4.45Å; V126-F142 HydrophobicContact CG2-CD1 3.84Å; V126-I147 HydrophobicContact CG1-CG2 3.96Å; V126-I147 HydrophobicContact CG2-CG1 3.91Å; V126-I147 HydrophobicContact CG2-CG2 3.85Å; V126-F148 HydrophobicContact CG1-CE1 3.91Å; V126-F148 HydrophobicContact CG1-CE2 4.32Å; V126-F148 HydrophobicContact CG1-CZ 3.57Å; V126-I151 HydrophobicContact CG2-CD1 4.16Å
127Q86.8Confident86.3Confident123 Ų12342.7 Ų42.758%0.57522%0.223SC*.Hα-helixtrans-60.1-34.7177-72-176.923.100112L123 D124 K129L123-Q127 WeakPolarHBondContact O-CG 3.27Å; L123-Q127 PolarHBondContact O-N 2.93Å; D124-Q127 PolarHBondContact O-N 3.07Å; Q127-K129 PolarHBondContact O-N 2.87Å
128L83Confident86Confident64 Ų6451.6 Ų51.634%0.33525%0.253SS..  trans-80.755.2179-153.171.9000114.6L80 D124 V126 P130 N131 L132L80-L128 HydrophobicContact CD2-CD2 3.41Å; L80-L128 VanDerWaalsContact CD2-CD2 3.41Å; D124-L128 PolarHBondContact O-N 3.05Å; V126-L128 PolarHBondContact O-N 2.89Å; L128-P130 VanDerWaalsContact C-N 3.35Å; L128-P130 WeakPolarHBondContact O-CD 3.36Å; L128-P130 VanDerWaalsContact O-N 3.08Å; L128-N131 HydrophobicContact CD2-CB 4.08Å; L128-N131 VanDerWaalsContact CD2-ND2 3.3Å; L128-N131 WeakPolarHBondContact CD2-ND2 3.39Å; L128-N131 HydrophobicContact CG-CB 4.42Å; L128-N131 PolarHBondContact O-N 3.33Å; L128-N131 VanDerWaalsContact O-N 3.09Å; L128-L132 PolarHBondContact O-N 3.46Å
129K77.7Confident85.5Confident148 Ų14856.7 Ų56.764%0.64328%0.28SS*.Hα-helixtrans-37.9-43.4175.8-66.3-175.8179.6179.10116.6Q127 T133Q127-K129 PolarHBondContact O-N 2.87Å; K129-T133 WeakPolarHBondContact O-CB 3.5Å; K129-T133 PolarHBondContact O-N 3.16Å; K129-T133 PolarHBondContact O-OG1 3.37Å
130P78.4Confident85.3Confident81 Ų8155.1 Ų55.153%0.52627%0.272SS..Hα-helixtrans-68.6-33.7-177.425.4-35.6000113.8L128 K134L128-P130 VanDerWaalsContact C-N 3.35Å; L128-P130 WeakPolarHBondContact O-CD 3.36Å; L128-P130 VanDerWaalsContact O-N 3.08Å; P130-K134 WeakPolarHBondContact O-CG 3.37Å
131N78.5Confident85.1Confident34 Ų3453.4 Ų53.418%0.18226%0.261CS..Hα-helixtrans-78.9-41.6176.1-77.2-13.3000110.5L76 L128 T133 K134 Y135L76-N131 HydrophobicContact CD1-CB 4.03Å; L128-N131 HydrophobicContact CD2-CB 4.08Å; L128-N131 VanDerWaalsContact CD2-ND2 3.3Å; L128-N131 WeakPolarHBondContact CD2-ND2 3.39Å; L128-N131 HydrophobicContact CG-CB 4.42Å; L128-N131 PolarHBondContact O-N 3.33Å; L128-N131 VanDerWaalsContact O-N 3.09Å; N131-T133 VanDerWaalsContact C-N 3.26Å; N131-T133 PolarHBondContact O-N 3.49Å; N131-K134 WeakPolarHBondContact O-CB 3.48Å; N131-K134 PolarHBondContact O-N 3.31Å; N131-K134 PolarHBondContact OD1-NZ 3.02Å; N131-Y135 WeakPolarHBondContact O-CD2 3.46Å; N131-Y135 PolarHBondContact O-N 3.21Å
132L83.2Confident84.9Confident5 Ų553.5 Ų53.53%0.02626%0.261CS..Hα-helixtrans-56.2-40176.1-159.777000112.7L76 L125 L128 K134 Y135 Y136 F142 R143L76-L132 HydrophobicContact CD2-CD1 4.38Å; L125-L132 HydrophobicContact CD1-CD1 4.14Å; L125-L132 HydrophobicContact CG-CD1 4.26Å; L128-L132 PolarHBondContact O-N 3.46Å; L132-K134 VanDerWaalsContact C-N 3.28Å; L132-K134 PolarHBondContact O-N 2.9Å; L132-Y135 PolarHBondContact O-N 3.46Å; L132-Y136 HydrophobicContact CD1-CD2 3.38Å; L132-Y136 HydrophobicContact CD1-CE2 3.49Å; L132-Y136 VanDerWaalsContact CD1-CE2 3.49Å; L132-Y136 HydrophobicContact CD1-CG 4.46Å; L132-Y136 HydrophobicContact CG-CD2 3.85Å; L132-Y136 HydrophobicContact CG-CE2 4.44Å; L132-Y136 PolarHBondContact O-N 3.29Å; L132-F142 HydrophobicContact CD1-CB 3.7Å; L132-F142 HydrophobicContact CD1-CG 4.34Å; L132-F142 HydrophobicContact CD2-CB 3.75Å; L132-F142 WeakPolarHBondContact CD2-O 3.47Å; L132-F142 HydrophobicContact CG-CB 4.2Å; L132-R143 HydrophobicContact CD2-CG 3.59Å; L132-R143 HydrophobicContact CG-CG 4.03Å
133T82.3Confident84.7Confident59 Ų5958 Ų5836%0.36228%0.278SS..Hα-helixtrans-63.3-29.2176.2-62.50000113.5K59 K129 N131K59-T133 PolarHBondContact NZ-O 2.98Å; K129-T133 WeakPolarHBondContact O-CB 3.5Å; K129-T133 PolarHBondContact O-N 3.16Å; K129-T133 PolarHBondContact O-OG1 3.37Å; N131-T133 VanDerWaalsContact C-N 3.26Å; N131-T133 PolarHBondContact O-N 3.49Å
134K83.4Confident84.5Confident113 Ų11355.9 Ų55.949%0.49127%0.268SS..Hα-helixtrans-74-41.2175.6-62.9166.8-168.3163.70111.4K71 P130 N131 L132K71-K134 PolarHBondContact NZ-O 2.86Å; P130-K134 WeakPolarHBondContact O-CG 3.37Å; N131-K134 WeakPolarHBondContact O-CB 3.48Å; N131-K134 PolarHBondContact O-N 3.31Å; N131-K134 PolarHBondContact OD1-NZ 3.02Å; L132-K134 VanDerWaalsContact C-N 3.28Å; L132-K134 PolarHBondContact O-N 2.9Å
135Y82.5Confident84.5Confident31 Ų3162.3 Ų62.312%0.12230%0.297CS..Hα-helixtrans-84.2-39.1-175.9-76.4-97000113.5K59 K71 C75 L76 Q79 N131 L132K59-Y135 VanDerWaalsContact CB-O 3.28Å; K59-Y135 WeakPolarHBondContact CB-O 3.18Å; K59-Y135 WeakPolarHBondContact CG-O 3.37Å; K59-Y135 PolarHBondContact N-O 3.26Å; K71-Y135 HydrophobicContact CB-CD1 4.08Å; K71-Y135 HydrophobicContact CB-CE1 4.39Å; K71-Y135 HydrophobicContact CD-CD1 3.91Å; K71-Y135 HydrophobicContact CD-CE1 4.41Å; K71-Y135 HydrophobicContact CD-CG 4.39Å; K71-Y135 HydrophobicContact CG-CD1 4.22Å; K71-Y135 HydrophobicContact CG-CE1 4.37Å; C75-Y135 HydrophobicContact CB-CE1 4.37Å; L76-Y135 HydrophobicContact CB-CD1 4.17Å; L76-Y135 HydrophobicContact CB-CD2 4.34Å; L76-Y135 HydrophobicContact CB-CE1 4.17Å; L76-Y135 HydrophobicContact CB-CE2 4.35Å; L76-Y135 HydrophobicContact CB-CG 4.25Å; L76-Y135 HydrophobicContact CD1-CD2 3.84Å; L76-Y135 HydrophobicContact CD1-CE2 3.93Å; L76-Y135 HydrophobicContact CD1-CG 4.46Å; L76-Y135 HydrophobicContact CD2-CD2 4.23Å; L76-Y135 HydrophobicContact CD2-CG 4.09Å; L76-Y135 HydrophobicContact CG-CD2 4.37Å; Q79-Y135 PolarHBondContact NE2-OH 2.92Å; Q79-Y135 PolarHBondContact OE1-OH 2.82Å; N131-Y135 WeakPolarHBondContact O-CD2 3.46Å; N131-Y135 PolarHBondContact O-N 3.21Å; L132-Y135 PolarHBondContact O-N 3.46Å
136Y85.6Confident84.4Confident1 Ų164.7 Ų64.70%0.00431%0.308CS..BIsolated β-bridgetrans-111.2145.2-171.1-66.4-85.6000114.3F54 L58 K59 L76 L132 A140 F142 R143F54-Y136 WeakPolarHBondContact O-CE1 3.4Å; F54-Y136 PolarHBondContact O-OH 2.94Å; L58-Y136 HydrophobicContact CB-CD1 4.32Å; L58-Y136 HydrophobicContact CB-CE1 4.24Å; L58-Y136 HydrophobicContact CD1-CD1 4.15Å; L58-Y136 HydrophobicContact CD1-CE1 3.88Å; K59-Y136 WeakPolarHBondContact CE-O 2.75Å; K59-Y136 PolarHBondContact NZ-O 3.11Å; L76-Y136 HydrophobicContact CD2-CD2 4.39Å; L76-Y136 HydrophobicContact CD2-CE2 3.69Å; L132-Y136 HydrophobicContact CD1-CD2 3.38Å; L132-Y136 HydrophobicContact CD1-CE2 3.49Å; L132-Y136 VanDerWaalsContact CD1-CE2 3.49Å; L132-Y136 HydrophobicContact CD1-CG 4.46Å; L132-Y136 HydrophobicContact CG-CD2 3.85Å; L132-Y136 HydrophobicContact CG-CE2 4.44Å; L132-Y136 PolarHBondContact O-N 3.29Å; Y136-A140 HydrophobicContact CD1-CB 3.8Å; Y136-A140 HydrophobicContact CG-CB 4.06Å; Y136-F142 HydrophobicContact CE1-CD2 4.11Å; Y136-F142 HydrophobicContact CE2-CD2 4.37Å; Y136-F142 AromaticContact CZ-CD2 3.86Å; Y136-R143 PolarHBondContact O-NH1 2.87Å
137S84Confident84.5Confident41 Ų4164.3 Ų64.329%0.28731%0.306SS..  trans-66.8160.1171.1-62.10000111.2G57 K59 D139 A140 R143G57-S137 VanDerWaalsContact O-CB 3.3Å; G57-S137 WeakPolarHBondContact O-CB 3.33Å; G57-S137 PolarHBondContact O-N 2.81Å; G57-S137 PolarHBondContact O-OG 3.22Å; K59-S137 WeakPolarHBondContact CG-OG 3.46Å; S137-D139 PolarHBondContact O-N 3.3Å; S137-D139 VanDerWaalsContact O-N 3.16Å; S137-A140 VanDerWaalsContact O-CB 3.27Å; S137-A140 WeakPolarHBondContact O-CB 3.49Å; S137-A140 PolarHBondContact O-N 2.95Å; S137-A140 VanDerWaalsContact O-N 3.15Å; S137-R143 WeakPolarHBondContact O-CD 3.36Å
138R83.4Confident84.7Confident212 Ų21262.4 Ų62.480%0.830%0.296SS*.THydrogen-bonded Turntrans-56.8-34.3-175.5-171.5176.7-176.3167.2-0.2112.3A140R138-A140 VanDerWaalsContact C-N 3.31Å; R138-A140 PolarHBondContact O-N 3.47Å
139D82Confident85.1Confident112 Ų11263.7 Ų63.760%0.59930%0.303SS*.THydrogen-bonded Turntrans-89.26.3-173.9-34.3-53.1000113.3H56 S137H56-D139 PolarHBondContact CE1-O 3.08Å; S137-D139 PolarHBondContact O-N 3.3Å; S137-D139 VanDerWaalsContact O-N 3.16Å
140A86.6Confident85.8Confident0 Ų056.7 Ų56.70%027%0.272CS..  trans-69.4148.3178.700000112.5H56 Y136 S137 R138 F142 R143 S144H56-A140 WeakPolarHBondContact O-CB 3.37Å; Y136-A140 HydrophobicContact CD1-CB 3.8Å; Y136-A140 HydrophobicContact CG-CB 4.06Å; S137-A140 VanDerWaalsContact O-CB 3.27Å; S137-A140 WeakPolarHBondContact O-CB 3.49Å; S137-A140 PolarHBondContact O-N 2.95Å; S137-A140 VanDerWaalsContact O-N 3.15Å; R138-A140 VanDerWaalsContact C-N 3.31Å; R138-A140 PolarHBondContact O-N 3.47Å; A140-F142 PolarHBondContact O-N 3.03Å; A140-R143 PolarHBondContact O-N 3Å; A140-S144 PolarHBondContact O-N 3.34Å
141I87.8Confident86.4Confident0 Ų053 Ų530%025%0.249CC..G310 helixtrans-59.6-46.4-176.5-74.3169.4000111.7R13 L16 L17 L53 H56 R143 S144 I147R13-I141 HydrophobicContact CB-CG1 4.44Å; R13-I141 HydrophobicContact CG-CG1 3.56Å; L16-I141 HydrophobicContact CB-CD1 3.95Å; L16-I141 HydrophobicContact CD2-CD1 3.61Å; L16-I141 HydrophobicContact CG-CD1 3.81Å; L17-I141 HydrophobicContact CD1-CG1 4.46Å; L17-I141 HydrophobicContact CD2-CG2 3.92Å; L17-I141 HydrophobicContact CG-CD1 4.32Å; L17-I141 HydrophobicContact CG-CG1 4.33Å; L17-I141 HydrophobicContact CG-CG2 4.29Å; L53-I141 HydrophobicContact CD2-CD1 3.69Å; L53-I141 HydrophobicContact CD2-CG2 4.21Å; H56-I141 HydrophobicContact CB-CD1 3.92Å; H56-I141 HydrophobicContact CB-CG1 4.39Å; I141-R143 PolarHBondContact O-N 2.9Å; I141-S144 VanDerWaalsContact O-CB 3.28Å; I141-S144 WeakPolarHBondContact O-CB 3.49Å; I141-S144 PolarHBondContact O-N 2.98Å; I141-I147 HydrophobicContact CG2-CD1 3.64Å; I141-I147 HydrophobicContact CG2-CG1 4.43Å
142F87.8Confident87.1Confident2 Ų256.6 Ų56.61%0.00927%0.268CS..G310 helixtrans-60.8-19.1177.5-68.9-81.3000114.8L53 F54 M122 L125 V126 L132 Y136 A140 I147L53-F142 WeakPolarHBondContact O-CE2 3.3Å; F54-F142 HydrophobicContact CD1-CE2 4.11Å; F54-F142 AromaticContact CD1-CZ 3.84Å; F54-F142 HydrophobicContact CD1-CZ 3.84Å; F54-F142 HydrophobicContact CE1-CE1 4.45Å; F54-F142 HydrophobicContact CE1-CE2 4.48Å; F54-F142 AromaticContact CE1-CZ 3.77Å; F54-F142 HydrophobicContact CE1-CZ 3.77Å; F54-F142 HydrophobicContact CG-CE2 4.46Å; F54-F142 HydrophobicContact CG-CZ 4.31Å; F54-F142 HydrophobicContact CZ-CZ 4.17Å; M122-F142 HydrophobicContact CE-CE1 3.8Å; M122-F142 HydrophobicContact CE-CZ 4.04Å; M122-F142 HydrophobicContact CG-CE1 4.22Å; L125-F142 HydrophobicContact CD2-CD1 3.84Å; L125-F142 HydrophobicContact CD2-CE1 3.54Å; L125-F142 HydrophobicContact CD2-CZ 3.99Å; L125-F142 HydrophobicContact CG-CD1 4.21Å; L125-F142 HydrophobicContact CG-CE1 4.35Å; V126-F142 HydrophobicContact CG2-CB 4.45Å; V126-F142 HydrophobicContact CG2-CD1 3.84Å; L132-F142 HydrophobicContact CD1-CB 3.7Å; L132-F142 HydrophobicContact CD1-CG 4.34Å; L132-F142 HydrophobicContact CD2-CB 3.75Å; L132-F142 WeakPolarHBondContact CD2-O 3.47Å; L132-F142 HydrophobicContact CG-CB 4.2Å; Y136-F142 HydrophobicContact CE1-CD2 4.11Å; Y136-F142 HydrophobicContact CE2-CD2 4.37Å; Y136-F142 AromaticContact CZ-CD2 3.86Å; A140-F142 PolarHBondContact O-N 3.03Å; F142-I147 HydrophobicContact CD1-CG1 4.38Å
143R86.8Confident87.4Confident95 Ų9557.6 Ų57.636%0.35828%0.275SS..G310 helixtrans-95.2-3.2177.9-69.6-168.764.7174.81113.5L132 Y136 S137 A140 I141L132-R143 HydrophobicContact CD2-CG 3.59Å; L132-R143 HydrophobicContact CG-CG 4.03Å; Y136-R143 PolarHBondContact O-NH1 2.87Å; S137-R143 WeakPolarHBondContact O-CD 3.36Å; A140-R143 PolarHBondContact O-N 3Å; I141-R143 PolarHBondContact O-N 2.9Å
144S87.2Confident87.8Confident12 Ų1255 Ų558%0.08426%0.258CS..SBendtrans-94.4146-179.2159.30000110.4R13 A140 I141 E146 I147R13-S144 PolarHBondContact NH1-OG 2.85Å; A140-S144 PolarHBondContact O-N 3.34Å; I141-S144 VanDerWaalsContact O-CB 3.28Å; I141-S144 WeakPolarHBondContact O-CB 3.49Å; I141-S144 PolarHBondContact O-N 2.98Å; S144-E146 VanDerWaalsContact C-N 3.28Å; S144-E146 PolarHBondContact O-N 2.94Å; S144-E146 WeakPolarHBondContact OG-CB 3.43Å; S144-E146 PolarHBondContact OG-N 3.31Å; S144-I147 WeakPolarHBondContact O-CB 3.3Å; S144-I147 WeakPolarHBondContact O-CG2 3.46Å; S144-I147 PolarHBondContact O-N 3.37Å
145E88.2Confident88.2Confident163 Ų16352.4 Ų52.476%0.76225%0.252SS*.THydrogen-bonded Turntrans-64.8-31.6175.2-170.5164.6-15600112.6I147 F148E145-I147 PolarHBondContact O-N 3.47Å; E145-F148 VanDerWaalsContact O-CD2 3.3Å; E145-F148 WeakPolarHBondContact O-CD2 3.28Å; E145-F148 PolarHBondContact O-N 3.31Å; E145-F148 VanDerWaalsContact O-N 3.09Å
146E88.2Confident88.4Confident55 Ų5552.4 Ų52.426%0.25726%0.261SS..THydrogen-bonded Turntrans-59.5-11.9176.1-57.3169.4173.700113.6R13 L17 S144 F148R13-E146 IonicContact CZ-OE1 3.37Å; R13-E146 IonicContact CZ-OE2 2.73Å; R13-E146 IonicContact NE-OE2 2.69Å; R13-E146 PolarHBondContact NE-OE2 3.39Å; R13-E146 IonicContact NH1-OE1 2.85Å; R13-E146 IonicContact NH1-OE2 3.06Å; R13-E146 PolarHBondContact NH1-OE2 3.46Å; R13-E146 IonicContact NH2-OE1 2.69Å; R13-E146 PolarHBondContact NH2-OE1 2.92Å; R13-E146 IonicContact NH2-OE2 2.69Å; R13-E146 PolarHBondContact NH2-OE2 2.76Å; L17-E146 HydrophobicContact CD1-CB 3.56Å; L17-E146 HydrophobicContact CD1-CG 4.43Å; L17-E146 WeakPolarHBondContact CD1-OE2 3.34Å; S144-E146 VanDerWaalsContact C-N 3.28Å; S144-E146 PolarHBondContact O-N 2.94Å; S144-E146 WeakPolarHBondContact OG-CB 3.43Å; S144-E146 PolarHBondContact OG-N 3.31Å; E146-F148 VanDerWaalsContact C-N 3.28Å; E146-F148 PolarHBondContact O-N 3.06Å
147I90.2Very high88.5Confident0 Ų052.7 Ų52.70%026%0.263CS..Hα-helixtrans-67-27.3174-164.747.4000112.9M122 V126 I141 F142 S144 E145 L150 I151M122-I147 HydrophobicContact CE-CD1 3.91Å; V126-I147 HydrophobicContact CG1-CG2 3.96Å; V126-I147 HydrophobicContact CG2-CG1 3.91Å; V126-I147 HydrophobicContact CG2-CG2 3.85Å; I141-I147 HydrophobicContact CG2-CD1 3.64Å; I141-I147 HydrophobicContact CG2-CG1 4.43Å; F142-I147 HydrophobicContact CD1-CG1 4.38Å; S144-I147 WeakPolarHBondContact O-CB 3.3Å; S144-I147 WeakPolarHBondContact O-CG2 3.46Å; S144-I147 PolarHBondContact O-N 3.37Å; E145-I147 PolarHBondContact O-N 3.47Å; I147-L150 HydrophobicContact CD1-CB 4.25Å; I147-L150 HydrophobicContact CD1-CD2 3.86Å; I147-L150 PolarHBondContact O-N 3.07Å; I147-I151 HydrophobicContact CG1-CD1 4.02Å; I147-I151 HydrophobicContact CG1-CG1 4.4Å; I147-I151 WeakPolarHBondContact O-CG1 3.33Å; I147-I151 PolarHBondContact O-N 2.88Å
148F91.5Very high88.7Confident83 Ų8355.7 Ų55.736%0.36427%0.272SS..Hα-helixtrans-67.9-43.4-178.8-67.1-68.4000110.7L123 V126 E145 E146 L150 I151 D152L123-F148 HydrophobicContact CD1-CD1 4.29Å; L123-F148 HydrophobicContact CD1-CE1 4.03Å; V126-F148 HydrophobicContact CG1-CE1 3.91Å; V126-F148 HydrophobicContact CG1-CE2 4.32Å; V126-F148 HydrophobicContact CG1-CZ 3.57Å; E145-F148 VanDerWaalsContact O-CD2 3.3Å; E145-F148 WeakPolarHBondContact O-CD2 3.28Å; E145-F148 PolarHBondContact O-N 3.31Å; E145-F148 VanDerWaalsContact O-N 3.09Å; E146-F148 VanDerWaalsContact C-N 3.28Å; E146-F148 PolarHBondContact O-N 3.06Å; F148-L150 PolarHBondContact O-N 2.86Å; F148-I151 PolarHBondContact O-N 3.42Å; F148-D152 VanDerWaalsContact O-CG 3.28Å; F148-D152 PolarHBondContact O-N 3.25Å
149N91Very high88.7Confident91 Ų9152.6 Ų52.649%0.48727%0.272SS..Hα-helixtrans-56.2-37.6172.9-57.20.8000112.7S153N149-S153 PolarHBondContact O-N 3.3Å; N149-S153 PolarHBondContact O-OG 2.88Å
150L92.3Very high88.8Confident0 Ų047.4 Ų47.40%024%0.244CC..Hα-helixtrans-71.5-41.6176.3-169.876.2000111.7L17 A20 E21 I24 L53 M122 I147 F148 D152 S153 L154L17-L150 HydrophobicContact CD2-CB 4.06Å; L17-L150 HydrophobicContact CD2-CD2 4.05Å; L17-L150 HydrophobicContact CD2-CG 4.46Å; A20-L150 HydrophobicContact CB-CD1 3.58Å; A20-L150 HydrophobicContact CB-CD2 4.3Å; E21-L150 HydrophobicContact CG-CD1 3.81Å; I24-L150 HydrophobicContact CD1-CD1 3.56Å; I24-L150 HydrophobicContact CD1-CG 4.16Å; L53-L150 HydrophobicContact CD1-CD2 3.6Å; L53-L150 HydrophobicContact CD2-CD2 3.99Å; L53-L150 HydrophobicContact CG-CD2 4.47Å; M122-L150 HydrophobicContact CE-CD2 4.36Å; I147-L150 HydrophobicContact CD1-CB 4.25Å; I147-L150 HydrophobicContact CD1-CD2 3.86Å; I147-L150 PolarHBondContact O-N 3.07Å; F148-L150 PolarHBondContact O-N 2.86Å; L150-D152 VanDerWaalsContact C-N 3.34Å; L150-S153 WeakPolarHBondContact O-CB 3.4Å; L150-S153 PolarHBondContact O-N 3.23Å; L150-L154 WeakPolarHBondContact O-CG 3.49Å; L150-L154 PolarHBondContact O-N 3.31Å
151I92.6Very high88.7Confident5 Ų554.7 Ų54.73%0.02628%0.278CS..Hα-helixtrans-61.8-43.4174.7-70.7163.7000110.3H119 M122 L123 V126 I147 F148 S153 L154 V155H119-I151 HydrophobicContact CB-CG2 4.45Å; M122-I151 HydrophobicContact CB-CD1 4.31Å; M122-I151 HydrophobicContact CB-CG1 4.1Å; L123-I151 HydrophobicContact CB-CD1 4.48Å; L123-I151 HydrophobicContact CB-CG2 4.27Å; L123-I151 HydrophobicContact CD1-CD1 4.46Å; V126-I151 HydrophobicContact CG2-CD1 4.16Å; I147-I151 HydrophobicContact CG1-CD1 4.02Å; I147-I151 HydrophobicContact CG1-CG1 4.4Å; I147-I151 WeakPolarHBondContact O-CG1 3.33Å; I147-I151 PolarHBondContact O-N 2.88Å; F148-I151 PolarHBondContact O-N 3.42Å; I151-S153 VanDerWaalsContact C-N 3.29Å; I151-S153 PolarHBondContact O-N 3.32Å; I151-L154 CarbonylContact O-C 3.59Å; I151-L154 WeakPolarHBondContact O-CA 3.31Å; I151-L154 WeakPolarHBondContact O-CB 3.43Å; I151-L154 PolarHBondContact O-N 3.14Å; I151-V155 PolarHBondContact O-N 3.47Å; I151-V155 VanDerWaalsContact O-N 3.07Å
152D91.8Very high88.7Confident109 Ų10955.5 Ų55.558%0.58328%0.282SS*.Hα-helixtrans-61.7-38.6175.7-66-21.1000111.3F148 L150 L154 V155F148-D152 VanDerWaalsContact O-CG 3.28Å; F148-D152 PolarHBondContact O-N 3.25Å; L150-D152 VanDerWaalsContact C-N 3.34Å; D152-L154 VanDerWaalsContact C-N 3.35Å; D152-V155 WeakPolarHBondContact O-CB 3.27Å; D152-V155 PolarHBondContact O-N 3.14Å
153S90.4Very high88.5Confident25 Ų2560.4 Ų60.418%0.17531%0.308CS..Hα-helixtrans-64.1-38.4172.1-58.40000112.1I24 N149 L150 I151 V155 G156I24-S153 WeakPolarHBondContact CG2-O 3.36Å; N149-S153 PolarHBondContact O-N 3.3Å; N149-S153 PolarHBondContact O-OG 2.88Å; L150-S153 WeakPolarHBondContact O-CB 3.4Å; L150-S153 PolarHBondContact O-N 3.23Å; I151-S153 VanDerWaalsContact C-N 3.29Å; I151-S153 PolarHBondContact O-N 3.32Å; S153-V155 VanDerWaalsContact C-N 3.29Å; S153-V155 PolarHBondContact O-N 3.14Å; S153-G156 PolarHBondContact O-N 3.17Å
154L91.6Very high88.3Confident4 Ų456.2 Ų56.22%0.02129%0.293CS..Hα-helixtrans-68.6-21.5176-69.6170.4000113.4I24 L50 L118 H119 M122 L150 I151 D152 G156 L157I24-L154 HydrophobicContact CD1-CD2 3.47Å; I24-L154 VanDerWaalsContact CD1-CD2 3.47Å; I24-L154 HydrophobicContact CD1-CG 3.78Å; I24-L154 HydrophobicContact CG1-CD2 3.79Å; L50-L154 HydrophobicContact CD2-CD2 4.38Å; L118-L154 HydrophobicContact CD2-CD2 4.36Å; H119-L154 HydrophobicContact CB-CB 3.75Å; M122-L154 HydrophobicContact CE-CD1 3.95Å; M122-L154 HydrophobicContact SD-CD1 3.46Å; M122-L154 WeakPolarHBondContact SD-CD1 3.44Å; L150-L154 WeakPolarHBondContact O-CG 3.49Å; L150-L154 PolarHBondContact O-N 3.31Å; I151-L154 CarbonylContact O-C 3.59Å; I151-L154 WeakPolarHBondContact O-CA 3.31Å; I151-L154 WeakPolarHBondContact O-CB 3.43Å; I151-L154 PolarHBondContact O-N 3.14Å; D152-L154 VanDerWaalsContact C-N 3.35Å; L154-G156 PolarHBondContact O-N 3.41Å; L154-L157 HydrophobicContact CD2-CD1 3.61Å; L154-L157 WeakPolarHBondContact O-CB 3.24Å; L154-L157 PolarHBondContact O-N 3.33Å; L154-L157 VanDerWaalsContact O-N 3.14Å
155V90.8Very high87.8Confident60 Ų6060.3 Ų60.336%0.36431%0.314SS..Hα-helixtrans-62.4-32.6171.2178.90000110.6H119 I151 D152 S153 L157 E158H119-V155 HydrophobicContact CB-CG2 4.18Å; I151-V155 PolarHBondContact O-N 3.47Å; I151-V155 VanDerWaalsContact O-N 3.07Å; D152-V155 WeakPolarHBondContact O-CB 3.27Å; D152-V155 PolarHBondContact O-N 3.14Å; S153-V155 VanDerWaalsContact C-N 3.29Å; S153-V155 PolarHBondContact O-N 3.14Å; V155-L157 PolarHBondContact O-N 2.84Å; V155-L157 VanDerWaalsContact O-N 3.14Å; V155-E158 VanDerWaalsContact O-CB 3.27Å; V155-E158 WeakPolarHBondContact O-CB 3.36Å; V155-E158 PolarHBondContact O-N 3.4Å
156G87.2Confident86.9Confident30 Ų3055.6 Ų55.631%0.30929%0.291SS..G310 helixtrans-59.2-24.3174.300000114.2S153 L154 E158S153-G156 PolarHBondContact O-N 3.17Å; L154-G156 PolarHBondContact O-N 3.41Å; G156-E158 VanDerWaalsContact C-N 3.29Å; G156-E158 PolarHBondContact O-N 3.27Å
157L88.3Confident85.6Confident8 Ų862.1 Ų62.14%0.04232%0.318CS..G310 helixtrans-77.8-7.7175.7-62.3176.4000114I24 Q27 I28 F46 L113 L154 V155 N159 V160 F162I24-L157 HydrophobicContact CG2-CD1 4.24Å; I24-L157 HydrophobicContact CG2-CD2 4.45Å; I24-L157 HydrophobicContact CG2-CG 4.14Å; Q27-L157 HydrophobicContact CB-CD2 4.33Å; I28-L157 HydrophobicContact CD1-CD2 4.31Å; I28-L157 HydrophobicContact CG1-CD2 3.58Å; I28-L157 HydrophobicContact CG1-CG 4.31Å; F46-L157 HydrophobicContact CE1-CD1 4.37Å; F46-L157 HydrophobicContact CE2-CD1 4.35Å; F46-L157 HydrophobicContact CZ-CD1 3.57Å; L113-L157 HydrophobicContact CD2-CD1 4.26Å; L154-L157 HydrophobicContact CD2-CD1 3.61Å; L154-L157 WeakPolarHBondContact O-CB 3.24Å; L154-L157 PolarHBondContact O-N 3.33Å; L154-L157 VanDerWaalsContact O-N 3.14Å; V155-L157 PolarHBondContact O-N 2.84Å; V155-L157 VanDerWaalsContact O-N 3.14Å; L157-N159 PolarHBondContact O-N 3.25Å; L157-V160 HydrophobicContact CD2-CG2 4.04Å; L157-V160 WeakPolarHBondContact O-CB 3.38Å; L157-V160 PolarHBondContact O-N 2.99Å; L157-F162 HydrophobicContact CB-CE2 4.41Å; L157-F162 HydrophobicContact CD2-CE2 4.38Å; L157-F162 HydrophobicContact CD2-CZ 4.1Å
158E87.9Confident84Confident103 Ų10366 Ų6648%0.48134%0.342SS..G310 helixtrans-61.7-28.1-179.4-173.7174.3-177.400112.6C116 H119 V155 G156C116-E158 HydrophobicContact CB-CB 4.49Å; C116-E158 HydrophobicContact CB-CG 4.09Å; C116-E158 PolarHBondContact SG-O 3.04Å; H119-E158 IonicContact CE1-OE2 2.65Å; V155-E158 VanDerWaalsContact O-CB 3.27Å; V155-E158 WeakPolarHBondContact O-CB 3.36Å; V155-E158 PolarHBondContact O-N 3.4Å; G156-E158 VanDerWaalsContact C-N 3.29Å; G156-E158 PolarHBondContact O-N 3.27Å
159N82.1Confident82.3Confident147 Ų14765 Ų6579%0.78634%0.338SS*.G310 helixtrans-86-4.7177-59.6-63.1000113.8L157L157-N159 PolarHBondContact O-N 3.25Å
160V84.5Confident80.6Confident4 Ų463.3 Ų63.32%0.02433%0.329CS..  trans-91.9118.7-173.6179.40000110.4S31 P36 L157 F162S31-V160 WeakPolarHBondContact OG-CG2 3.45Å; P36-V160 HydrophobicContact CG-CG1 3.84Å; L157-V160 HydrophobicContact CD2-CG2 4.04Å; L157-V160 WeakPolarHBondContact O-CB 3.38Å; L157-V160 PolarHBondContact O-N 2.99Å; V160-F162 HydrophobicContact CB-CD2 4.26Å; V160-F162 HydrophobicContact CB-CE2 3.78Å; V160-F162 HydrophobicContact CB-CZ 4.32Å; V160-F162 HydrophobicContact CG1-CD2 3.89Å; V160-F162 HydrophobicContact CG1-CE1 4.22Å; V160-F162 HydrophobicContact CG1-CE2 3.52Å; V160-F162 HydrophobicContact CG1-CG 4.38Å; V160-F162 HydrophobicContact CG1-CZ 3.7Å; V160-F162 WeakPolarHBondContact O-CD2 3.34Å; V160-F162 PolarHBondContact O-N 3.33Å
161Q85.5Confident78.8Confident152 Ų15269.3 Ų69.371%0.7137%0.366SS*.  trans-82105.4174.4-63.5-176.820.200109.7I35 P36I35-Q161 WeakPolarHBondContact CG2-O 3.43Å; P36-Q161 WeakPolarHBondContact CD-O 3.24Å
162F86.3Confident77.2Confident18 Ų1875.6 Ų75.68%0.07940%0.399CS..  trans-88.2130.6176.8-76.8-80.5000111.7P36 F46 L113 V114 L157 V160 L164P36-F162 HydrophobicContact CB-CD1 3.84Å; P36-F162 HydrophobicContact CB-CE1 3.85Å; P36-F162 HydrophobicContact CG-CD1 4.33Å; P36-F162 HydrophobicContact CG-CE1 4.17Å; F46-F162 HydrophobicContact CD1-CE1 4.43Å; F46-F162 HydrophobicContact CE1-CE1 4.07Å; F46-F162 AromaticContact CE1-CZ 3.94Å; F46-F162 HydrophobicContact CE1-CZ 3.94Å; L113-F162 HydrophobicContact CB-CD2 4.04Å; L113-F162 HydrophobicContact CB-CE2 4.38Å; L113-F162 HydrophobicContact CB-CG 4.25Å; L113-F162 HydrophobicContact CD2-CE2 4.09Å; L113-F162 HydrophobicContact CD2-CZ 4.28Å; V114-F162 HydrophobicContact CG2-CB 4.22Å; L157-F162 HydrophobicContact CB-CE2 4.41Å; L157-F162 HydrophobicContact CD2-CE2 4.38Å; L157-F162 HydrophobicContact CD2-CZ 4.1Å; V160-F162 HydrophobicContact CB-CD2 4.26Å; V160-F162 HydrophobicContact CB-CE2 3.78Å; V160-F162 HydrophobicContact CB-CZ 4.32Å; V160-F162 HydrophobicContact CG1-CD2 3.89Å; V160-F162 HydrophobicContact CG1-CE1 4.22Å; V160-F162 HydrophobicContact CG1-CE2 3.52Å; V160-F162 HydrophobicContact CG1-CG 4.38Å; V160-F162 HydrophobicContact CG1-CZ 3.7Å; V160-F162 WeakPolarHBondContact O-CD2 3.34Å; V160-F162 PolarHBondContact O-N 3.33Å; F162-L164 HydrophobicContact CB-CD1 4.12Å; F162-L164 HydrophobicContact CB-CG 4.1Å; F162-L164 HydrophobicContact CD1-CD1 4.21Å; F162-L164 HydrophobicContact CD1-CG 4.46Å; F162-L164 HydrophobicContact CG-CD1 4.4Å
163N84.3Confident75.8Confident104 Ų10474 Ų7456%0.55639%0.386SS*.BIsolated β-bridgetrans-108.880.2172.8-171.734.8000110.4I35 P36 D37I35-N163 HydrophobicContact CG2-CB 3.85Å; P36-N163 PolarHBondContact O-N 2.89Å; D37-N163 WeakPolarHBondContact CA-O 3.49Å
164L82.3Confident74.5Confident7 Ų773.4 Ų73.44%0.03738%0.382CS..  trans-109.5120.3-172.7-60.6174.7000111.6D38 V43 L47 K110 L113 V114 F162D38-L164 HydrophobicContact CB-CD2 4.3Å; V43-L164 HydrophobicContact CG1-CD2 3.63Å; L47-L164 HydrophobicContact CD1-CD2 4.46Å; L47-L164 HydrophobicContact CD2-CD1 4.46Å; K110-L164 HydrophobicContact CB-CB 4.36Å; K110-L164 HydrophobicContact CB-CD1 4.21Å; K110-L164 HydrophobicContact CD-CB 4.38Å; K110-L164 HydrophobicContact CG-CB 4.38Å; K110-L164 HydrophobicContact CG-CD1 4.18Å; L113-L164 HydrophobicContact CB-CD1 4.17Å; L113-L164 HydrophobicContact CD1-CD1 4.03Å; V114-L164 HydrophobicContact CG2-CB 4.08Å; V114-L164 HydrophobicContact CG2-CD1 4.36Å; V114-L164 HydrophobicContact CG2-CG 4.4Å; F162-L164 HydrophobicContact CB-CD1 4.12Å; F162-L164 HydrophobicContact CB-CG 4.1Å; F162-L164 HydrophobicContact CD1-CD1 4.21Å; F162-L164 HydrophobicContact CD1-CG 4.46Å; F162-L164 HydrophobicContact CG-CD1 4.4Å
165D76Confident73.3Confident98 Ų9881.9 Ų81.952%0.52442%0.415SS..  trans-76.3139176.1-86.5-39.2000112.5K110K110-D165 WeakPolarHBondContact CD-O 3.3Å; K110-D165 PolarHBondContact NZ-O 2.67Å
166F69.7Low72.3Confident65 Ų6581.9 Ų81.929%0.28542%0.416SS..SBendtrans-93.5-14.8175-55.5-78.4000112.9K110 L111 V114K110-F166 HydrophobicContact CB-CD1 4.36Å; K110-F166 HydrophobicContact CB-CE1 3.84Å; L111-F166 HydrophobicContact CB-CE1 3.84Å; L111-F166 HydrophobicContact CB-CZ 4.19Å; L111-F166 HydrophobicContact CD1-CE1 4.05Å; L111-F166 HydrophobicContact CD1-CE2 4.4Å; L111-F166 HydrophobicContact CD1-CZ 3.6Å; V114-F166 HydrophobicContact CG2-CZ 4.42Å
167K61.4Low71.8Confident191 Ų19182.4 Ų82.483%0.8341%0.413SS*.SBendtrans-78.3-26.7-171.5-161.9177.8-177.3-175.80113E169K167-E169 PolarHBondContact O-N 2.82Å
168T55.7Low71.3Confident82 Ų8282.4 Ų82.450%0.50341%0.414SS..  trans-92.697.9179.7-43.50000108.9
169E56Low70.7Confident61 Ų6181.5 Ų81.529%0.28542%0.417SS..  trans-64.2135.8155.2-70-159.9166.500107.5L98 S103 K167 V171 S174L98-E169 HydrophobicContact CD2-CG 4.39Å; S103-E169 WeakPolarHBondContact CB-OE1 3.45Å; S103-E169 PolarHBondContact OG-OE1 3Å; K167-E169 PolarHBondContact O-N 2.82Å; E169-V171 VanDerWaalsContact C-N 3.3Å; E169-V171 PolarHBondContact O-N 3.18Å; E169-S174 WeakPolarHBondContact OE2-CB 3.26Å; E169-S174 PolarHBondContact OE2-OG 3.1Å
170L56.9Low70.6Confident57 Ų5775.2 Ų75.230%0.29838%0.383SS..  trans-6296.9164.9-74166.6000107.4D172 Y173 S174 P178L170-D172 PolarHBondContact O-N 2.9Å; L170-D172 VanDerWaalsContact O-N 3.1Å; L170-Y173 HydrophobicContact CB-CD2 4.25Å; L170-Y173 PolarHBondContact O-N 2.97Å; L170-S174 PolarHBondContact O-N 3.35Å; L170-P178 HydrophobicContact CD1-CG 4.38Å
171V54.9Low70.3Confident125 Ų12578.7 Ų78.776%0.75840%0.402SS*.G310 helixtrans-52.6-37.8-167.8-179.60000111.8E169 Y173E169-V171 VanDerWaalsContact C-N 3.3Å; E169-V171 PolarHBondContact O-N 3.18Å; V171-Y173 VanDerWaalsContact C-N 3.32Å; V171-Y173 PolarHBondContact O-N 2.88Å
172D58.7Low69.8Low138 Ų13874.4 Ų74.474%0.73838%0.381SS*.G310 helixtrans-74.4-19.1-178.3-53-40.2000113.9L170L170-D172 PolarHBondContact O-N 2.9Å; L170-D172 VanDerWaalsContact O-N 3.1Å
173Y62.5Low69.1Low76 Ų7676.4 Ų76.430%0.29840%0.397SS..G310 helixtrans-1218.6-167.8-62.6-68.1000114.9R106 L170 V171 Y175 C176 P178 P179R106-Y173 PolarHBondContact NH1-O 3.34Å; R106-Y173 PolarHBondContact NH2-O 2.86Å; R106-Y173 VanDerWaalsContact NH2-O 3.17Å; L170-Y173 HydrophobicContact CB-CD2 4.25Å; L170-Y173 PolarHBondContact O-N 2.97Å; V171-Y173 VanDerWaalsContact C-N 3.32Å; V171-Y173 PolarHBondContact O-N 2.88Å; Y173-Y175 PolarHBondContact O-N 3.39Å; Y173-C176 PolarHBondContact O-N 3.45Å; Y173-P178 HydrophobicContact CD1-CB 4.39Å; Y173-P178 HydrophobicContact CD2-CB 4.37Å; Y173-P178 HydrophobicContact CG-CB 4.25Å; Y173-P178 HydrophobicContact CG-CG 4.34Å; Y173-P179 HydrophobicContact CE1-CG 4.3Å
174S62.2Low68.1Low12 Ų1274 Ų748%0.08439%0.387CS..THydrogen-bonded Turntrans-57.6-10.4-173.5-670000116.5S100 E169 L170S100-S174 WeakPolarHBondContact CB-O 3.3Å; S100-S174 PolarHBondContact OG-O 3.09Å; E169-S174 WeakPolarHBondContact OE2-CB 3.26Å; E169-S174 PolarHBondContact OE2-OG 3.1Å; L170-S174 PolarHBondContact O-N 3.35Å
175Y65.6Low67.3Low182 Ų18275.7 Ų75.771%0.71439%0.394SS*.THydrogen-bonded Turntrans-128.23.7-179.3-57.1-74.5000115.6F102 Y173F102-Y175 WeakPolarHBondContact CE2-O 2.99Å; Y173-Y175 PolarHBondContact O-N 3.39Å
176C71.6Confident66.4Low59 Ų5977.6 Ų77.640%0.39940%0.404SS..SBendtrans-144.7156.7-178.855.60000111.2R106 Y173R106-C176 PolarHBondContact NH2-O 2.74Å; Y173-C176 PolarHBondContact O-N 3.45Å
177V76.3Confident65.5Low41 Ų4181.7 Ų81.725%0.24843%0.428CS..PPolyproline II helixtrans-70.2133.4177.4-170.90000109E51 N52 Y55 F102E51-V177 HydrophobicContact CB-CG1 4.41Å; E51-V177 HydrophobicContact CG-CG1 4.04Å; N52-V177 WeakPolarHBondContact ND2-CG1 3.23Å; Y55-V177 HydrophobicContact CD1-CG2 4.22Å; Y55-V177 HydrophobicContact CD2-CB 4.37Å; Y55-V177 HydrophobicContact CD2-CG1 4.13Å; Y55-V177 HydrophobicContact CD2-CG2 3.29Å; Y55-V177 HydrophobicContact CE1-CG2 4.41Å; Y55-V177 HydrophobicContact CE2-CG2 3.52Å; Y55-V177 HydrophobicContact CG-CG2 3.68Å; F102-V177 HydrophobicContact CE1-CG2 4.12Å
178P76.9Confident64.7Low9 Ų978.6 Ų78.66%0.05841%0.414CS..PPolyproline II helixtrans-65.8144.3178.3-16.231.2000110.5A48 E51 N52 L170 Y173A48-P178 HydrophobicContact CB-CB 3.89Å; A48-P178 HydrophobicContact CB-CG 4.44Å; E51-P178 WeakPolarHBondContact OE2-CD 3.35Å; N52-P178 PolarHBondContact ND2-O 3.44Å; L170-P178 HydrophobicContact CD1-CG 4.38Å; Y173-P178 HydrophobicContact CD1-CB 4.39Å; Y173-P178 HydrophobicContact CD2-CB 4.37Å; Y173-P178 HydrophobicContact CG-CB 4.25Å; Y173-P178 HydrophobicContact CG-CG 4.34Å
179P75.6Confident64.1Low84 Ų8482.8 Ų82.855%0.54543%0.426SS..PPolyproline II helixtrans-64.4144.8171.329.3-33.8000109.9Y173Y173-P179 HydrophobicContact CE1-CG 4.3Å
180I80.8Confident63.5Low15 Ų1585.4 Ų85.48%0.07744%0.438CS..PPolyproline II helixtrans-79.5128.6169.4-63.1170.2000107.3I11 L16 V19 V49 N52 F182I11-I180 HydrophobicContact CD1-CD1 4.16Å; L16-I180 HydrophobicContact CD1-CD1 3.44Å; L16-I180 VanDerWaalsContact CD1-CD1 3.44Å; V19-I180 HydrophobicContact CG1-CG2 4.27Å; V49-I180 HydrophobicContact CB-CD1 4.5Å; V49-I180 HydrophobicContact CG2-CB 4.33Å; V49-I180 HydrophobicContact CG2-CD1 3.97Å; V49-I180 HydrophobicContact CG2-CG1 3.84Å; V49-I180 HydrophobicContact CG2-CG2 3.64Å; N52-I180 HydrophobicContact CB-CD1 3.85Å; N52-I180 HydrophobicContact CB-CG1 4.35Å; I180-F182 HydrophobicContact CB-CD2 4.37Å; I180-F182 HydrophobicContact CB-CE2 3.84Å; I180-F182 HydrophobicContact CB-CZ 4.03Å; I180-F182 HydrophobicContact CD1-CZ 4.39Å; I180-F182 HydrophobicContact CG2-CD1 4.34Å; I180-F182 HydrophobicContact CG2-CD2 4.21Å; I180-F182 HydrophobicContact CG2-CE1 4.13Å; I180-F182 HydrophobicContact CG2-CE2 3.99Å; I180-F182 HydrophobicContact CG2-CG 4.39Å; I180-F182 HydrophobicContact CG2-CZ 3.95Å; I180-F182 VanDerWaalsContact O-CD2 3.31Å; I180-F182 WeakPolarHBondContact O-CD2 3.32Å; I180-F182 PolarHBondContact O-N 2.84Å
181D76.6Confident62.9Low76 Ų7684.7 Ų84.741%0.40644%0.438SS..  trans-80.7112167.7-177.318.7000109.3N45 S183N45-D181 PolarHBondContact ND2-O 3.3Å; N45-D181 PolarHBondContact OD1-N 3.01Å; D181-S183 WeakPolarHBondContact OD1-CB 3.33Å; D181-S183 PolarHBondContact OD1-N 3.18Å; D181-S183 PolarHBondContact OD1-OG 3.46Å
182F75.6Confident62.7Low63 Ų6381.6 Ų81.628%0.27642%0.416SS..  trans-85.3-11.3176.2-65.8-88.5000112.4I11 V19 I180 P184 F185 L186I11-F182 HydrophobicContact CD1-CZ 4.17Å; V19-F182 HydrophobicContact CG2-CD1 4.12Å; V19-F182 HydrophobicContact CG2-CE1 3.96Å; I180-F182 HydrophobicContact CB-CD2 4.37Å; I180-F182 HydrophobicContact CB-CE2 3.84Å; I180-F182 HydrophobicContact CB-CZ 4.03Å; I180-F182 HydrophobicContact CD1-CZ 4.39Å; I180-F182 HydrophobicContact CG2-CD1 4.34Å; I180-F182 HydrophobicContact CG2-CD2 4.21Å; I180-F182 HydrophobicContact CG2-CE1 4.13Å; I180-F182 HydrophobicContact CG2-CE2 3.99Å; I180-F182 HydrophobicContact CG2-CG 4.39Å; I180-F182 HydrophobicContact CG2-CZ 3.95Å; I180-F182 VanDerWaalsContact O-CD2 3.31Å; I180-F182 WeakPolarHBondContact O-CD2 3.32Å; I180-F182 PolarHBondContact O-N 2.84Å; F182-P184 VanDerWaalsContact C-CD 3.47Å; F182-F185 CarbonylContact O-C 3.57Å; F182-F185 WeakPolarHBondContact O-CA 3.42Å; F182-F185 PolarHBondContact O-N 2.73Å; F182-L186 HydrophobicContact CB-CD1 3.88Å; F182-L186 HydrophobicContact CB-CG 4.09Å; F182-L186 WeakPolarHBondContact O-CG 3.38Å; F182-L186 PolarHBondContact O-N 2.98Å
183S72.6Confident62.2Low60 Ų6078.3 Ų78.342%0.4240%0.397SS..Hα-helixtrans-52.7-43.9-174.2-47.90000113.8D181 F185 L186 L187D181-S183 WeakPolarHBondContact OD1-CB 3.33Å; D181-S183 PolarHBondContact OD1-N 3.18Å; D181-S183 PolarHBondContact OD1-OG 3.46Å; S183-F185 VanDerWaalsContact C-N 3.27Å; S183-F185 PolarHBondContact O-N 3.18Å; S183-L186 PolarHBondContact O-N 2.98Å; S183-L187 WeakPolarHBondContact O-CB 3.09Å; S183-L187 WeakPolarHBondContact O-CG 3.49Å; S183-L187 PolarHBondContact O-N 3.22Å
184P62.3Low61.8Low53 Ų5378.5 Ų78.534%0.34441%0.406SS..Hα-helixtrans-61.5-35.3176.5-22.934.8000112.9F182 F188F182-P184 VanDerWaalsContact C-CD 3.47Å; P184-F188 WeakPolarHBondContact O-CB 3.26Å; P184-F188 PolarHBondContact O-N 2.9Å
185F65Low61.3Low43 Ų4381.9 Ų81.919%0.18942%0.421CS..Hα-helixtrans-87.2-23.1-177-48.3-65.2000113.1V19 L22 V23 F182 S183V19-F185 HydrophobicContact CG1-CD2 4.02Å; V19-F185 HydrophobicContact CG1-CE2 4Å; L22-F185 HydrophobicContact CB-CD1 4.18Å; L22-F185 HydrophobicContact CB-CE1 4.16Å; L22-F185 HydrophobicContact CD1-CD1 4.3Å; V23-F185 HydrophobicContact CB-CZ 4.24Å; V23-F185 HydrophobicContact CG1-CZ 4.46Å; V23-F185 HydrophobicContact CG2-CE1 4.02Å; V23-F185 HydrophobicContact CG2-CE2 3.8Å; V23-F185 HydrophobicContact CG2-CZ 3.29Å; F182-F185 CarbonylContact O-C 3.57Å; F182-F185 WeakPolarHBondContact O-CA 3.42Å; F182-F185 PolarHBondContact O-N 2.73Å; S183-F185 VanDerWaalsContact C-N 3.27Å; S183-F185 PolarHBondContact O-N 3.18Å
186L58.6Low60.7Low138 Ų13873.9 Ų73.972%0.72339%0.39SS*.Hα-helixtrans-77.4-33.6170.7-67.2171.4000111.5F182 S183 F188F182-L186 HydrophobicContact CB-CD1 3.88Å; F182-L186 HydrophobicContact CB-CG 4.09Å; F182-L186 WeakPolarHBondContact O-CG 3.38Å; F182-L186 PolarHBondContact O-N 2.98Å; S183-L186 PolarHBondContact O-N 2.98Å; L186-F188 VanDerWaalsContact C-N 3.35Å
187L50.6Low59.9Low150 Ų15074.2 Ų74.279%0.78539%0.393SS*.Hα-helixtrans-78.4-20.3171.6-67.4172.5000112.5S183 K189S183-L187 WeakPolarHBondContact O-CB 3.09Å; S183-L187 WeakPolarHBondContact O-CG 3.49Å; S183-L187 PolarHBondContact O-N 3.22Å; L187-K189 PolarHBondContact O-N 2.92Å
188F43.2Very low58.9Low126 Ų12675.8 Ų75.855%0.55341%0.41SS*.  trans-71.275.9165.3-160.7-98.2000110.4P184 L186 Q190P184-F188 WeakPolarHBondContact O-CB 3.26Å; P184-F188 PolarHBondContact O-N 2.9Å; L186-F188 VanDerWaalsContact C-N 3.35Å; F188-Q190 VanDerWaalsContact C-N 3.33Å; F188-Q190 PolarHBondContact O-N 2.98Å
189K44.5Very low57.9Low170 Ų17079.6 Ų79.674%0.73943%0.429SS*.  trans-48.7107.8150.7-96-172.4174.3-1790105.7L187 S191L187-K189 PolarHBondContact O-N 2.92Å; K189-S191 VanDerWaalsContact O-CA 3.3Å; K189-S191 WeakPolarHBondContact O-CA 3.45Å; K189-S191 PolarHBondContact O-N 3.2Å
190Q42.3Very low56.9Low116 Ų11676.6 Ų76.654%0.54241%0.41SS..  trans-39.7111.3170.7173.1174.17300106.5F188 L192F188-Q190 VanDerWaalsContact C-N 3.33Å; F188-Q190 PolarHBondContact O-N 2.98Å; Q190-L192 PolarHBondContact O-N 2.88Å
191S45.3Very low55.5Low42 Ų4284.2 Ų84.229%0.29445%0.445SS..  trans-51.7131.3-154.673.80000108.7K189 E193 T194K189-S191 VanDerWaalsContact O-CA 3.3Å; K189-S191 WeakPolarHBondContact O-CA 3.45Å; K189-S191 PolarHBondContact O-N 3.2Å; S191-E193 CarbonylContact O-C 3.56Å; S191-E193 PolarHBondContact O-N 2.91Å; S191-T194 PolarHBondContact O-N 3.44Å; S191-T194 PolarHBondContact OG-N 3.38Å; S191-T194 PolarHBondContact OG-OG1 3Å
192L50.9Low54.1Low60 Ų6084 Ų8431%0.31445%0.449SS..Hα-helixtrans-53.2-35.4-173.7-125111.8000109Q190 T194 Q195 L196 F220Q190-L192 PolarHBondContact O-N 2.88Å; L192-T194 VanDerWaalsContact C-N 3.32Å; L192-T194 PolarHBondContact O-N 3.28Å; L192-Q195 PolarHBondContact O-N 3.04Å; L192-L196 HydrophobicContact CB-CD1 3.87Å; L192-L196 HydrophobicContact CB-CG 4.48Å; L192-L196 HydrophobicContact CD2-CD1 3.53Å; L192-L196 HydrophobicContact CD2-CD2 4.39Å; L192-L196 HydrophobicContact CD2-CG 3.99Å; L192-L196 HydrophobicContact CG-CD1 4.2Å; L192-L196 WeakPolarHBondContact O-CB 3.41Å; L192-L196 WeakPolarHBondContact O-CG 3.26Å; L192-L196 PolarHBondContact O-N 3.05Å; L192-F220 HydrophobicContact CB-CZ 4.4Å
193E47.9Very low52.7Low70 Ų7088.5 Ų88.533%0.32747%0.471SS..Hα-helixtrans-41.8-40.4165.1-115.1168.8111.900117.2S191 S197 F220 K224S191-E193 CarbonylContact O-C 3.56Å; S191-E193 PolarHBondContact O-N 2.91Å; E193-S197 WeakPolarHBondContact O-CA 3.47Å; E193-S197 WeakPolarHBondContact O-CB 3.44Å; E193-S197 PolarHBondContact O-N 2.54Å; E193-S197 PolarHBondContact O-OG 3.39Å; E193-F220 HydrophobicContact CG-CE1 4.02Å; E193-K224 IonicContact OE1-NZ 2.69Å; E193-K224 PolarHBondContact OE1-NZ 2.83Å; E193-K224 WeakPolarHBondContact OE2-CD 3.38Å; E193-K224 VanDerWaalsContact OE2-CE 3.29Å; E193-K224 WeakPolarHBondContact OE2-CE 3.44Å; E193-K224 IonicContact OE2-NZ 2.92Å; E193-K224 PolarHBondContact OE2-NZ 2.04Å
194T53.5Low51.5Low79 Ų7992.5 Ų92.549%0.48549%0.487SS..Hα-helixtrans-75.7-37.8-179.1-50.60000111.5S191 L192 S197 A198S191-T194 PolarHBondContact O-N 3.44Å; S191-T194 PolarHBondContact OG-N 3.38Å; S191-T194 PolarHBondContact OG-OG1 3Å; L192-T194 VanDerWaalsContact C-N 3.32Å; L192-T194 PolarHBondContact O-N 3.28Å; T194-S197 WeakPolarHBondContact CA-OG 3.37Å; T194-S197 PolarHBondContact O-OG 3.13Å; T194-A198 PolarHBondContact O-N 3.03Å
195Q51.5Low50.6Low84 Ų8497.6 Ų97.639%0.39351%0.507SS..Hα-helixtrans-75.8-41.9173.1-65.1-173.7-17.100111L192 S197 A198 I199L192-Q195 PolarHBondContact O-N 3.04Å; Q195-S197 VanDerWaalsContact C-N 3.33Å; Q195-S197 PolarHBondContact O-N 3.29Å; Q195-A198 PolarHBondContact O-N 2.81Å; Q195-I199 WeakPolarHBondContact O-CD1 3.37Å; Q195-I199 VanDerWaalsContact O-CG1 3.26Å; Q195-I199 WeakPolarHBondContact O-CG1 3.43Å; Q195-I199 PolarHBondContact O-N 3.23Å
196L52.6Low49.6Very low14 Ų14102.1 Ų102.17%0.07353%0.533CS..Hα-helixtrans-68.9-25.2176.6-71.1172.3000113.4L192 W216 R217L192-L196 HydrophobicContact CB-CD1 3.87Å; L192-L196 HydrophobicContact CB-CG 4.48Å; L192-L196 HydrophobicContact CD2-CD1 3.53Å; L192-L196 HydrophobicContact CD2-CD2 4.39Å; L192-L196 HydrophobicContact CD2-CG 3.99Å; L192-L196 HydrophobicContact CG-CD1 4.2Å; L192-L196 WeakPolarHBondContact O-CB 3.41Å; L192-L196 WeakPolarHBondContact O-CG 3.26Å; L192-L196 PolarHBondContact O-N 3.05Å; L196-W216 HydrophobicContact CB-CH2 3.9Å; L196-W216 HydrophobicContact CB-CZ3 4.01Å; L196-W216 HydrophobicContact CD1-CH2 4.47Å; L196-W216 HydrophobicContact CD1-CZ3 3.82Å; L196-W216 HydrophobicContact CD2-CH2 3.84Å; L196-W216 HydrophobicContact CD2-CZ3 3.87Å; L196-W216 HydrophobicContact CG-CH2 4.29Å; L196-W216 HydrophobicContact CG-CZ3 4.12Å; L196-R217 PolarHBondContact O-NH2 3.46Å
197S54.5Low49.4Very low66 Ų6699.4 Ų99.446%0.46252%0.522SS..Hα-helixtrans-71.4-43.7171.549.80000111E193 T194 Q195E193-S197 WeakPolarHBondContact O-CA 3.47Å; E193-S197 WeakPolarHBondContact O-CB 3.44Å; E193-S197 PolarHBondContact O-N 2.54Å; E193-S197 PolarHBondContact O-OG 3.39Å; T194-S197 WeakPolarHBondContact CA-OG 3.37Å; T194-S197 PolarHBondContact O-OG 3.13Å; Q195-S197 VanDerWaalsContact C-N 3.33Å; Q195-S197 PolarHBondContact O-N 3.29Å
198A55.8Low49.7Very low73 Ų7398.9 Ų98.960%0.60352%0.515SS*.Hα-helixtrans-65.2-35.2174.500000113.5T194 Q195T194-A198 PolarHBondContact O-N 3.03Å; Q195-A198 PolarHBondContact O-N 2.81Å
199I57Low50.1Low90 Ų9098.4 Ų98.446%0.46252%0.519SS..Hα-helixtrans-71.8-27-178.4-70.2163.3000113.4Q195 L555Q195-I199 WeakPolarHBondContact O-CD1 3.37Å; Q195-I199 VanDerWaalsContact O-CG1 3.26Å; Q195-I199 WeakPolarHBondContact O-CG1 3.43Å; Q195-I199 PolarHBondContact O-N 3.23Å; I199-L555 HydrophobicContact CG2-CD1 4.34Å; I199-L555 HydrophobicContact CG2-CD2 4.09Å
200C53.1Low50.3Low21 Ų2196 Ų9614%0.14251%0.505CS..  trans-99.487.4173-150.40000109.1C202 R217C200-C202 VanDerWaalsContact C-SG 3.6Å; C200-C202 VanDerWaalsContact CA-SG 3.52Å; C200-C202 HydrophobicContact CB-CB 4.04Å; C200-C202 WeakPolarHBondContact CB-SG 3.36Å; C200-C202 PolarHBondContact O-N 2.95Å; C200-C202 WeakPolarHBondContact SG-CB 3.39Å; C200-C202 CovalentContact SG-SG 2.04Å; C200-C202 PolarHBondContact SG-SG 3.31Å; C200-R217 VanDerWaalsContact CB-CZ 3.45Å
201E51.4Low50.5Low174 Ų17496.3 Ų96.381%0.81350%0.504SS*.  trans-68.857.1162.8-66.8-170.6149.600110.6Q203E201-Q203 PolarHBondContact O-N 3.34Å
202C48.2Very low51Low72 Ų7298.5 Ų98.549%0.48652%0.52SS..  trans-92.354.9-168-66.40000109.5C200C200-C202 VanDerWaalsContact C-SG 3.6Å; C200-C202 VanDerWaalsContact CA-SG 3.52Å; C200-C202 HydrophobicContact CB-CB 4.04Å; C200-C202 WeakPolarHBondContact CB-SG 3.36Å; C200-C202 PolarHBondContact O-N 2.95Å; C200-C202 WeakPolarHBondContact SG-CB 3.39Å; C200-C202 CovalentContact SG-SG 2.04Å; C200-C202 PolarHBondContact SG-SG 3.31Å
203Q45.7Very low51.2Low157 Ų157103.3 Ų103.373%0.73454%0.539SS*.  trans-85.2122.6178.7-60.6-168.618.800111.2E201 E205E201-Q203 PolarHBondContact O-N 3.34Å; Q203-E205 PolarHBondContact O-N 3Å
204N47.1Very low51.8Low145 Ų145101.1 Ų101.178%0.77553%0.531SS*.SBendtrans65.920.1147.8-62.3-19.7000122.7
205E43.2Very low52.1Low160 Ų160102.9 Ų102.975%0.74854%0.535SS*.  trans-109.3123.7168.4-67.2-159.5154.300114Q203 R210Q203-E205 PolarHBondContact O-N 3Å; E205-R210 PolarHBondContact O-NE 3.09Å; E205-R210 PolarHBondContact O-NH2 2.96Å
206N45.1Very low52.7Low137 Ų137100.4 Ų100.473%0.73352%0.522SS*.  trans-94.387.6-171-70.6-35.4000112.7R210N206-R210 PolarHBondContact OD1-NH1 3.21Å; N206-R210 PolarHBondContact OD1-NH2 3.29Å
207T53.9Low53.2Low82 Ų82103.6 Ų103.650%0.50353%0.533SS..  trans-136.9153.1170.553.60000111.7D209 R210T207-D209 PolarHBondContact O-N 3.19Å; T207-R210 VanDerWaalsContact O-CB 3.26Å; T207-R210 WeakPolarHBondContact O-CB 3.16Å; T207-R210 VanDerWaalsContact O-CG 3.23Å; T207-R210 WeakPolarHBondContact O-CG 3.12Å; T207-R210 PolarHBondContact O-N 3.5Å; T207-R210 VanDerWaalsContact O-N 3.1Å
208E55.8Low53.7Low138 Ų138106.8 Ų106.865%0.64554%0.54SS*.THydrogen-bonded Turntrans-63.1-21.9-179.1-90.1-78.9145.600113.2R210 K211E208-R210 PolarHBondContact O-N 3.07Å; E208-K211 PolarHBondContact O-N 3.17Å; E208-K211 VanDerWaalsContact O-N 3.12Å; E208-K211 IonicContact OE1-NZ 3.84Å; E208-K211 PolarHBondContact OE1-NZ 3.2Å; E208-K211 IonicContact OE2-NZ 2.8Å; E208-K211 PolarHBondContact OE2-NZ 3.43Å
209D51.7Low54.4Low116 Ų116104 Ų10462%0.6252%0.518SS*.THydrogen-bonded Turntrans-55.3-19.1170.8-63.2-44.2000113.7T207 K211 S212 K213T207-D209 PolarHBondContact O-N 3.19Å; D209-K211 PolarHBondContact O-N 2.75Å; D209-S212 PolarHBondContact O-N 3.23Å; D209-K213 PolarHBondContact O-N 3.02Å; D209-K213 VanDerWaalsContact O-N 3.14Å
210R48.8Very low55.1Low120 Ų120102.5 Ų102.545%0.45351%0.509SS..Hα-helixtrans-48.6-38.4170.4-84.3-178.3172.9174.22.6113.7E205 N206 T207 E208 C214E205-R210 PolarHBondContact O-NE 3.09Å; E205-R210 PolarHBondContact O-NH2 2.96Å; N206-R210 PolarHBondContact OD1-NH1 3.21Å; N206-R210 PolarHBondContact OD1-NH2 3.29Å; T207-R210 VanDerWaalsContact O-CB 3.26Å; T207-R210 WeakPolarHBondContact O-CB 3.16Å; T207-R210 VanDerWaalsContact O-CG 3.23Å; T207-R210 WeakPolarHBondContact O-CG 3.12Å; T207-R210 PolarHBondContact O-N 3.5Å; T207-R210 VanDerWaalsContact O-N 3.1Å; E208-R210 PolarHBondContact O-N 3.07Å; R210-C214 PolarHBondContact O-N 2.67Å
211K48.2Very low55.8Low122 Ų122105.5 Ų105.553%0.5352%0.521SS..Hα-helixtrans-65.9-50.7-177.6-71.7173.9-168.8148.30110E208 D209 C214 M215E208-K211 PolarHBondContact O-N 3.17Å; E208-K211 VanDerWaalsContact O-N 3.12Å; E208-K211 IonicContact OE1-NZ 3.84Å; E208-K211 PolarHBondContact OE1-NZ 3.2Å; E208-K211 IonicContact OE2-NZ 2.8Å; E208-K211 PolarHBondContact OE2-NZ 3.43Å; D209-K211 PolarHBondContact O-N 2.75Å; K211-C214 CarbonylContact O-C 3.59Å; K211-C214 PolarHBondContact O-N 3.02Å; K211-M215 WeakPolarHBondContact O-CG 3.06Å; K211-M215 PolarHBondContact O-N 3Å
212S54Low56.8Low89 Ų89101.3 Ų101.362%0.62250%0.5SS*.Hα-helixtrans-59.8-48.8-179.5-52.50000112.4D209 C214 M215D209-S212 PolarHBondContact O-N 3.23Å; S212-C214 VanDerWaalsContact C-N 3.27Å; S212-C214 PolarHBondContact O-N 2.77Å; S212-M215 PolarHBondContact O-N 2.77Å
213K56.4Low57.9Low161 Ų161102.7 Ų102.770%0.750%0.502SS*.Hα-helixtrans-68.6-23-174.7-161169.5-177177.90113.9D209 W216D209-K213 PolarHBondContact O-N 3.02Å; D209-K213 VanDerWaalsContact O-N 3.14Å; K213-W216 PolarHBondContact O-NE1 3.5Å
214C60.3Low59.1Low24 Ų2498.3 Ų98.316%0.16248%0.48CS..THydrogen-bonded Turntrans-11819.3-180-68.10000113.5R210 K211 S212 W216 R217 H218R210-C214 PolarHBondContact O-N 2.67Å; K211-C214 CarbonylContact O-C 3.59Å; K211-C214 PolarHBondContact O-N 3.02Å; S212-C214 VanDerWaalsContact C-N 3.27Å; S212-C214 PolarHBondContact O-N 2.77Å; C214-W216 VanDerWaalsContact C-N 3.28Å; C214-W216 PolarHBondContact O-N 3.32Å; C214-R217 WeakPolarHBondContact O-CB 3.12Å; C214-R217 PolarHBondContact O-N 2.92Å; C214-H218 PolarHBondContact O-N 3.1Å; C214-H218 PolarHBondContact O-ND1 2.66Å
215M59.2Low60.2Low116 Ų11697.1 Ų97.157%0.57147%0.47SS*.Hα-helixtrans-61.6-38175.2-77.5-140.5-59.200111.8K211 S212 R217 H218 G219K211-M215 WeakPolarHBondContact O-CG 3.06Å; K211-M215 PolarHBondContact O-N 3Å; S212-M215 PolarHBondContact O-N 2.77Å; M215-R217 VanDerWaalsContact C-N 3.25Å; M215-R217 PolarHBondContact O-N 3.11Å; M215-H218 PolarHBondContact O-N 2.84Å; M215-H218 VanDerWaalsContact O-N 3.14Å; M215-G219 PolarHBondContact O-N 3.32Å
216W64.9Low61.5Low32 Ų3291.7 Ų91.712%0.12145%0.446CS..Hα-helixtrans-61.3-32.6176.665.8-98.4000112.5L196 K213 C214 G219 F220 I548 H551L196-W216 HydrophobicContact CB-CH2 3.9Å; L196-W216 HydrophobicContact CB-CZ3 4.01Å; L196-W216 HydrophobicContact CD1-CH2 4.47Å; L196-W216 HydrophobicContact CD1-CZ3 3.82Å; L196-W216 HydrophobicContact CD2-CH2 3.84Å; L196-W216 HydrophobicContact CD2-CZ3 3.87Å; L196-W216 HydrophobicContact CG-CH2 4.29Å; L196-W216 HydrophobicContact CG-CZ3 4.12Å; K213-W216 PolarHBondContact O-NE1 3.5Å; C214-W216 VanDerWaalsContact C-N 3.28Å; C214-W216 PolarHBondContact O-N 3.32Å; W216-G219 PolarHBondContact O-N 3Å; W216-F220 VanDerWaalsContact O-CB 3.23Å; W216-F220 WeakPolarHBondContact O-CB 3.42Å; W216-F220 PolarHBondContact O-N 3Å; W216-I548 HydrophobicContact CB-CG1 3.9Å; W216-H551 AromaticContact CD1-CD2 3.61Å; W216-H551 AromaticContact CD1-NE2 3.88Å; W216-H551 AromaticContact NE1-CD2 3.72Å; W216-H551 AromaticContact NE1-NE2 3.59Å
217R63.5Low62.8Low80 Ų8091.2 Ų91.230%0.30244%0.439SS..Hα-helixtrans-67-45.4172.9-74.9-174.7165.5-165-7.5111.7L196 C200 C214 M215 G219 F220 E221L196-R217 PolarHBondContact O-NH2 3.46Å; C200-R217 VanDerWaalsContact CB-CZ 3.45Å; C214-R217 WeakPolarHBondContact O-CB 3.12Å; C214-R217 PolarHBondContact O-N 2.92Å; M215-R217 VanDerWaalsContact C-N 3.25Å; M215-R217 PolarHBondContact O-N 3.11Å; R217-G219 VanDerWaalsContact C-N 3.32Å; R217-G219 PolarHBondContact O-N 3.39Å; R217-F220 PolarHBondContact O-N 2.69Å; R217-E221 WeakPolarHBondContact O-CB 3.37Å; R217-E221 PolarHBondContact O-N 3.16Å
218H64.1Low63.9Low133 Ų13390.3 Ų90.362%0.61643%0.434SS*.Hα-helixtrans-65.2-37.6176.4-70.682.5000111.6C214 M215 K222C214-H218 PolarHBondContact O-N 3.1Å; C214-H218 PolarHBondContact O-ND1 2.66Å; M215-H218 PolarHBondContact O-N 2.84Å; M215-H218 VanDerWaalsContact O-N 3.14Å; H218-K222 WeakPolarHBondContact O-CB 3.47Å; H218-K222 PolarHBondContact O-N 3Å
219G71.2Confident64.6Low14 Ų1487.1 Ų87.114%0.14442%0.416CS..Hα-helixtrans-64.9-44.6173.200000112.6M215 W216 R217 K222 L223M215-G219 PolarHBondContact O-N 3.32Å; W216-G219 PolarHBondContact O-N 3Å; R217-G219 VanDerWaalsContact C-N 3.32Å; R217-G219 PolarHBondContact O-N 3.39Å; G219-K222 PolarHBondContact O-N 3.26Å; G219-L223 VanDerWaalsContact O-CB 3.3Å; G219-L223 WeakPolarHBondContact O-CB 3.18Å; G219-L223 PolarHBondContact O-N 3.3Å
220F71.7Confident65.3Low60 Ų6085 Ų8526%0.26341%0.411SS..Hα-helixtrans-65.4-47.7177.5-174.6-92.9000112.1L192 E193 W216 R217 K222 L223 K224L192-F220 HydrophobicContact CB-CZ 4.4Å; E193-F220 HydrophobicContact CG-CE1 4.02Å; W216-F220 VanDerWaalsContact O-CB 3.23Å; W216-F220 WeakPolarHBondContact O-CB 3.42Å; W216-F220 PolarHBondContact O-N 3Å; R217-F220 PolarHBondContact O-N 2.69Å; F220-K222 VanDerWaalsContact C-N 3.3Å; F220-K222 PolarHBondContact O-N 3.06Å; F220-L223 WeakPolarHBondContact O-CB 3.5Å; F220-L223 PolarHBondContact O-N 2.9Å; F220-L223 VanDerWaalsContact O-N 3.13Å; F220-K224 WeakPolarHBondContact O-CB 3.33Å; F220-K224 PolarHBondContact O-N 2.93Å
221E67.6Low66.7Low84 Ų8484 Ų8439%0.39341%0.414SS..Hα-helixtrans-63.9-38.1178.3-162.161.8-154.400111.3R217 K224 Q225R217-E221 WeakPolarHBondContact O-CB 3.37Å; R217-E221 PolarHBondContact O-N 3.16Å; E221-K224 PolarHBondContact O-N 3.18Å; E221-K224 IonicContact OE1-NZ 3.65Å; E221-K224 PolarHBondContact OE1-NZ 3.3Å; E221-K224 IonicContact OE2-NZ 3.21Å; E221-K224 PolarHBondContact OE2-NZ 3.13Å; E221-Q225 WeakPolarHBondContact O-CB 3.48Å; E221-Q225 PolarHBondContact O-N 2.85Å
222K71.3Confident68.1Low85 Ų8583.6 Ų83.637%0.3741%0.414SS..Hα-helixtrans-67.2-36.2173.9-169.9-175.6-169.9-160.30112.3H218 G219 F220 N226 I540H218-K222 WeakPolarHBondContact O-CB 3.47Å; H218-K222 PolarHBondContact O-N 3Å; G219-K222 PolarHBondContact O-N 3.26Å; F220-K222 VanDerWaalsContact C-N 3.3Å; F220-K222 PolarHBondContact O-N 3.06Å; K222-N226 WeakPolarHBondContact O-CB 3.23Å; K222-N226 PolarHBondContact O-N 3.46Å; K222-N226 PolarHBondContact O-ND2 3.4Å; K222-N226 PolarHBondContact O-OD1 3.29Å; K222-I540 HydrophobicContact CD-CD1 4.39Å
223L71.6Confident69Low102 Ų10283.3 Ų83.353%0.53440%0.403SS..Hα-helixtrans-67.8-43.5174.4-175.168.3000111.3G219 F220 N226 Q227G219-L223 VanDerWaalsContact O-CB 3.3Å; G219-L223 WeakPolarHBondContact O-CB 3.18Å; G219-L223 PolarHBondContact O-N 3.3Å; F220-L223 WeakPolarHBondContact O-CB 3.5Å; F220-L223 PolarHBondContact O-N 2.9Å; F220-L223 VanDerWaalsContact O-N 3.13Å; L223-N226 CarbonylContact O-C 3.6Å; L223-N226 WeakPolarHBondContact O-CB 3.39Å; L223-N226 PolarHBondContact O-N 2.98Å; L223-Q227 WeakPolarHBondContact O-CB 3.36Å; L223-Q227 PolarHBondContact O-N 2.85Å
224K71.2Confident70.2Confident65 Ų6581 Ų8128%0.28340%0.397SS..Hα-helixtrans-60.9-45.7173.5176.6-176.5166.9-158.90111.5E193 F220 E221 N226 Q227 V228E193-K224 IonicContact OE1-NZ 2.69Å; E193-K224 PolarHBondContact OE1-NZ 2.83Å; E193-K224 WeakPolarHBondContact OE2-CD 3.38Å; E193-K224 VanDerWaalsContact OE2-CE 3.29Å; E193-K224 WeakPolarHBondContact OE2-CE 3.44Å; E193-K224 IonicContact OE2-NZ 2.92Å; E193-K224 PolarHBondContact OE2-NZ 2.04Å; F220-K224 WeakPolarHBondContact O-CB 3.33Å; F220-K224 PolarHBondContact O-N 2.93Å; E221-K224 PolarHBondContact O-N 3.18Å; E221-K224 IonicContact OE1-NZ 3.65Å; E221-K224 PolarHBondContact OE1-NZ 3.3Å; E221-K224 IonicContact OE2-NZ 3.21Å; E221-K224 PolarHBondContact OE2-NZ 3.13Å; K224-N226 PolarHBondContact O-N 2.94Å; K224-Q227 WeakPolarHBondContact O-CB 3.36Å; K224-Q227 PolarHBondContact O-N 2.73Å; K224-Q227 VanDerWaalsContact O-N 3.16Å; K224-V228 WeakPolarHBondContact O-CG2 3.45Å; K224-V228 PolarHBondContact O-N 3.49Å
225Q70.2Confident71Confident120 Ų12085.6 Ų85.656%0.56142%0.416SS*.Hα-helixtrans-62.3-40.9174.2-165.669.651.700112E221 Q227 V228 Y229E221-Q225 WeakPolarHBondContact O-CB 3.48Å; E221-Q225 PolarHBondContact O-N 2.85Å; Q225-Q227 VanDerWaalsContact C-N 3.34Å; Q225-V228 PolarHBondContact O-N 3.39Å; Q225-Y229 WeakPolarHBondContact O-CB 3.29Å; Q225-Y229 PolarHBondContact O-N 2.91Å
226N71.2Confident71.9Confident46 Ų4687 Ų8725%0.24642%0.416CS..Hα-helixtrans-64.1-37173.5-74.6-12.8000112K222 L223 K224 S230K222-N226 WeakPolarHBondContact O-CB 3.23Å; K222-N226 PolarHBondContact O-N 3.46Å; K222-N226 PolarHBondContact O-ND2 3.4Å; K222-N226 PolarHBondContact O-OD1 3.29Å; L223-N226 CarbonylContact O-C 3.6Å; L223-N226 WeakPolarHBondContact O-CB 3.39Å; L223-N226 PolarHBondContact O-N 2.98Å; K224-N226 PolarHBondContact O-N 2.94Å; N226-S230 WeakPolarHBondContact O-CB 3.47Å; N226-S230 PolarHBondContact O-N 3.37Å
227Q72.1Confident72.8Confident126 Ų12690 Ų9059%0.58943%0.431SS*.Hα-helixtrans-66.1-47.1176.5-174.2-176.910.900111.2L223 K224 Q225 Y229 S230 L231L223-Q227 WeakPolarHBondContact O-CB 3.36Å; L223-Q227 PolarHBondContact O-N 2.85Å; K224-Q227 WeakPolarHBondContact O-CB 3.36Å; K224-Q227 PolarHBondContact O-N 2.73Å; K224-Q227 VanDerWaalsContact O-N 3.16Å; Q225-Q227 VanDerWaalsContact C-N 3.34Å; Q227-Y229 PolarHBondContact O-N 3.06Å; Q227-S230 PolarHBondContact O-N 3.09Å; Q227-L231 HydrophobicContact CG-CD1 4.26Å; Q227-L231 WeakPolarHBondContact O-CG 3.25Å; Q227-L231 PolarHBondContact O-N 2.93Å
228V77Confident73.8Confident63 Ų6391.2 Ų91.238%0.38244%0.44SS..Hα-helixtrans-58.4-47.9175173.80000110.5K224 Q225 S230 L231 E232K224-V228 WeakPolarHBondContact O-CG2 3.45Å; K224-V228 PolarHBondContact O-N 3.49Å; Q225-V228 PolarHBondContact O-N 3.39Å; V228-S230 VanDerWaalsContact C-N 3.32Å; V228-S230 PolarHBondContact O-N 3.19Å; V228-L231 PolarHBondContact O-N 3.25Å; V228-L231 VanDerWaalsContact O-N 3.13Å; V228-E232 PolarHBondContact O-N 3.41Å
229Y70.7Confident74.7Confident72 Ų7288.8 Ų88.828%0.28243%0.429SS..Hα-helixtrans-59.2-40.1175.8-177.5-103.2000113Q225 Q227 L231 E232 Q233 F533Q225-Y229 WeakPolarHBondContact O-CB 3.29Å; Q225-Y229 PolarHBondContact O-N 2.91Å; Q227-Y229 PolarHBondContact O-N 3.06Å; Y229-L231 VanDerWaalsContact C-N 3.34Å; Y229-E232 PolarHBondContact O-N 3.31Å; Y229-Q233 HydrophobicContact CD1-CG 4.49Å; Y229-Q233 HydrophobicContact CE1-CG 4.11Å; Y229-Q233 VanDerWaalsContact CE1-NE2 3.27Å; Y229-Q233 VanDerWaalsContact CZ-NE2 3.32Å; Y229-Q233 WeakPolarHBondContact O-CG 3.02Å; Y229-Q233 PolarHBondContact O-N 2.9Å; Y229-Q233 PolarHBondContact OH-NE2 3.28Å; Y229-F533 HydrophobicContact CE2-CD1 4.3Å; Y229-F533 HydrophobicContact CE2-CE1 4.22Å
230S65.4Low75.3Confident72 Ų7291.5 Ų91.550%0.50344%0.44SS..Hα-helixtrans-67.9-32.7176.6-170.20000112.8N226 Q227 V228 L234N226-S230 WeakPolarHBondContact O-CB 3.47Å; N226-S230 PolarHBondContact O-N 3.37Å; Q227-S230 PolarHBondContact O-N 3.09Å; V228-S230 VanDerWaalsContact C-N 3.32Å; V228-S230 PolarHBondContact O-N 3.19Å; S230-L234 WeakPolarHBondContact O-CB 3.48Å; S230-L234 PolarHBondContact O-N 3.03Å
231L78.3Confident75.8Confident98 Ų9893.9 Ų93.951%0.51346%0.455SS..Hα-helixtrans-72.8-42.1175.3-71.4168.3000111.2Q227 V228 Y229 Q233 L234 Q235Q227-L231 HydrophobicContact CG-CD1 4.26Å; Q227-L231 WeakPolarHBondContact O-CG 3.25Å; Q227-L231 PolarHBondContact O-N 2.93Å; V228-L231 PolarHBondContact O-N 3.25Å; V228-L231 VanDerWaalsContact O-N 3.13Å; Y229-L231 VanDerWaalsContact C-N 3.34Å; L231-Q233 VanDerWaalsContact C-N 3.34Å; L231-Q233 PolarHBondContact O-N 3.4Å; L231-L234 PolarHBondContact O-N 3.44Å; L231-Q235 WeakPolarHBondContact O-CB 3.3Å; L231-Q235 PolarHBondContact O-N 3.21Å
232E77.4Confident76.7Confident114 Ų11494.8 Ų94.853%0.53346%0.459SS..Hα-helixtrans-59.7-42.7172.5-72.2177.3-179.100111.8V228 Y229 Q235 Y236V228-E232 PolarHBondContact O-N 3.41Å; Y229-E232 PolarHBondContact O-N 3.31Å; E232-Q235 PolarHBondContact O-N 3.12Å; E232-Y236 WeakPolarHBondContact O-CB 3.35Å; E232-Y236 PolarHBondContact O-N 2.81Å
233Q74.6Confident77.4Confident83 Ų8395.9 Ų95.939%0.38846%0.464SS..Hα-helixtrans-63.1-42.2173.7-77-162.2-18.600112.5Y229 L231 Y236 H237Y229-Q233 HydrophobicContact CD1-CG 4.49Å; Y229-Q233 HydrophobicContact CE1-CG 4.11Å; Y229-Q233 VanDerWaalsContact CE1-NE2 3.27Å; Y229-Q233 VanDerWaalsContact CZ-NE2 3.32Å; Y229-Q233 WeakPolarHBondContact O-CG 3.02Å; Y229-Q233 PolarHBondContact O-N 2.9Å; Y229-Q233 PolarHBondContact OH-NE2 3.28Å; L231-Q233 VanDerWaalsContact C-N 3.34Å; L231-Q233 PolarHBondContact O-N 3.4Å; Q233-Y236 PolarHBondContact O-N 3.49Å; Q233-H237 PolarHBondContact O-CD2 3.37Å; Q233-H237 PolarHBondContact O-N 3.14Å
234L79.9Confident78Confident113 Ų11396.1 Ų96.159%0.59246%0.462SS*.Hα-helixtrans-61.7-46.6177.5-176.165.1000111.1S230 L231 Y236 H237 E238S230-L234 WeakPolarHBondContact O-CB 3.48Å; S230-L234 PolarHBondContact O-N 3.03Å; L231-L234 PolarHBondContact O-N 3.44Å; L234-Y236 PolarHBondContact O-N 3.14Å; L234-H237 PolarHBondContact O-N 3.26Å; L234-E238 PolarHBondContact O-N 2.78Å
235Q77.4Confident78.7Confident120 Ų12099.1 Ų99.156%0.56148%0.475SS*.Hα-helixtrans-61.5-41.2177.2-173.8177.2-0.800112L231 E232 H237 E238 E239L231-Q235 WeakPolarHBondContact O-CB 3.3Å; L231-Q235 PolarHBondContact O-N 3.21Å; E232-Q235 PolarHBondContact O-N 3.12Å; Q235-H237 PolarHBondContact O-N 3Å; Q235-E238 PolarHBondContact O-N 2.77Å; Q235-E239 PolarHBondContact O-N 3.1Å
236Y79.6Confident79.5Confident145 Ų14597 Ų9757%0.56947%0.47SS*.Hα-helixtrans-61.7-42174.5174.3-99.2000112.6E232 Q233 L234 L240E232-Y236 WeakPolarHBondContact O-CB 3.35Å; E232-Y236 PolarHBondContact O-N 2.81Å; Q233-Y236 PolarHBondContact O-N 3.49Å; L234-Y236 PolarHBondContact O-N 3.14Å; Y236-L240 PolarHBondContact O-N 3.42Å; Y236-L240 VanDerWaalsContact O-N 3.11Å
237H83Confident80.2Confident94 Ų94100.3 Ų100.344%0.43549%0.485SS..Hα-helixtrans-68.4-37.6175.9-73.8-54.7000112.3Q233 L234 Q235 L240 I241Q233-H237 PolarHBondContact O-CD2 3.37Å; Q233-H237 PolarHBondContact O-N 3.14Å; L234-H237 PolarHBondContact O-N 3.26Å; Q235-H237 PolarHBondContact O-N 3Å; H237-L240 WeakPolarHBondContact O-CB 3.06Å; H237-L240 PolarHBondContact O-N 3.01Å; H237-I241 WeakPolarHBondContact O-CG1 3.36Å; H237-I241 PolarHBondContact O-N 3.27Å
238E84.8Confident80.7Confident106 Ų10699.6 Ų99.650%0.49548%0.484SS..Hα-helixtrans-61.8-47.9174.2-165.7-173.915600111.4L234 Q235 L240 I241 Q242L234-E238 PolarHBondContact O-N 2.78Å; Q235-E238 PolarHBondContact O-N 2.77Å; E238-L240 PolarHBondContact O-N 2.97Å; E238-I241 PolarHBondContact O-N 2.74Å; E238-I241 VanDerWaalsContact O-N 3.13Å; E238-Q242 WeakPolarHBondContact O-CG 3.45Å; E238-Q242 PolarHBondContact O-N 3.48Å; E238-Q242 PolarHBondContact OE1-NE2 2.9Å; E238-Q242 VanDerWaalsContact OE1-NE2 3.09Å
239E82.8Confident81.2Confident82 Ų8299.5 Ų99.538%0.38348%0.482SS..Hα-helixtrans-56.8-37.7173.7-85-164.2-150.900112.8Q235 K243Q235-E239 PolarHBondContact O-N 3.1Å; E239-K243 WeakPolarHBondContact O-CB 3.43Å; E239-K243 VanDerWaalsContact O-CD 3.31Å; E239-K243 WeakPolarHBondContact O-CD 3.46Å; E239-K243 VanDerWaalsContact O-CG 3.22Å; E239-K243 WeakPolarHBondContact O-CG 3.35Å; E239-K243 PolarHBondContact O-N 2.85Å; E239-K243 IonicContact OE2-NZ 3.14Å; E239-K243 PolarHBondContact OE2-NZ 3.47Å
240L84.1Confident82Confident72 Ų72102 Ų10238%0.37749%0.494SS..Hα-helixtrans-67.6-41.9177.8-173.167.2000111.2Y236 H237 E238 K243 Q244Y236-L240 PolarHBondContact O-N 3.42Å; Y236-L240 VanDerWaalsContact O-N 3.11Å; H237-L240 WeakPolarHBondContact O-CB 3.06Å; H237-L240 PolarHBondContact O-N 3.01Å; E238-L240 PolarHBondContact O-N 2.97Å; L240-K243 PolarHBondContact O-N 2.92Å; L240-Q244 WeakPolarHBondContact O-CG 3.4Å; L240-Q244 PolarHBondContact O-N 3.05Å
241I80.9Confident83Confident110 Ų110104.7 Ų104.756%0.56449%0.494SS*.Hα-helixtrans-64.4-44.6175.3-67.3166000110.3H237 E238 K243 Q244 F245H237-I241 WeakPolarHBondContact O-CG1 3.36Å; H237-I241 PolarHBondContact O-N 3.27Å; E238-I241 PolarHBondContact O-N 2.74Å; E238-I241 VanDerWaalsContact O-N 3.13Å; I241-K243 VanDerWaalsContact C-N 3.32Å; I241-K243 PolarHBondContact O-N 3.45Å; I241-Q244 PolarHBondContact O-N 2.88Å; I241-F245 WeakPolarHBondContact O-CB 3.48Å; I241-F245 PolarHBondContact O-N 3.35Å
242Q86.5Confident83.5Confident102 Ų102106.1 Ų106.148%0.47750%0.496SS..Hα-helixtrans-59.9-40.1175.4-69.5177.211.300112E238 F245 T246E238-Q242 WeakPolarHBondContact O-CG 3.45Å; E238-Q242 PolarHBondContact O-N 3.48Å; E238-Q242 PolarHBondContact OE1-NE2 2.9Å; E238-Q242 VanDerWaalsContact OE1-NE2 3.09Å; Q242-F245 PolarHBondContact O-N 2.99Å; Q242-T246 WeakPolarHBondContact O-CB 3.41Å; Q242-T246 PolarHBondContact O-N 3.16Å; Q242-T246 PolarHBondContact O-OG1 3.46Å
243K86Confident84Confident109 Ų109107.1 Ų107.147%0.47450%0.501SS..Hα-helixtrans-64.8-42174.2-73.6159.7-168.2151.80112E239 L240 I241 T246 Q247E239-K243 WeakPolarHBondContact O-CB 3.43Å; E239-K243 VanDerWaalsContact O-CD 3.31Å; E239-K243 WeakPolarHBondContact O-CD 3.46Å; E239-K243 VanDerWaalsContact O-CG 3.22Å; E239-K243 WeakPolarHBondContact O-CG 3.35Å; E239-K243 PolarHBondContact O-N 2.85Å; E239-K243 IonicContact OE2-NZ 3.14Å; E239-K243 PolarHBondContact OE2-NZ 3.47Å; L240-K243 PolarHBondContact O-N 2.92Å; I241-K243 VanDerWaalsContact C-N 3.32Å; I241-K243 PolarHBondContact O-N 3.45Å; K243-T246 PolarHBondContact O-N 2.83Å; K243-Q247 PolarHBondContact O-N 3.28Å; K243-Q247 VanDerWaalsContact O-N 3.11Å
244Q84.2Confident84.6Confident106 Ų106108 Ų10850%0.49551%0.505SS..Hα-helixtrans-65.2-44.3174.9-74.5-179.3-10.500112L240 I241 T246 Q247 L248L240-Q244 WeakPolarHBondContact O-CG 3.4Å; L240-Q244 PolarHBondContact O-N 3.05Å; I241-Q244 PolarHBondContact O-N 2.88Å; Q244-T246 VanDerWaalsContact C-N 3.31Å; Q244-T246 PolarHBondContact O-N 2.9Å; Q244-Q247 WeakPolarHBondContact O-CB 3.44Å; Q244-Q247 PolarHBondContact O-N 2.99Å; Q244-Q247 VanDerWaalsContact O-N 3.08Å; Q244-L248 WeakPolarHBondContact O-CG 3.29Å; Q244-L248 PolarHBondContact O-N 3.44Å
245F86.3Confident84.9Confident128 Ų128107.1 Ų107.156%0.56150%0.5SS*.Hα-helixtrans-60.6-40.4176.2-167.1-102.1000111.8I241 Q242 Q247 L248 N249I241-F245 WeakPolarHBondContact O-CB 3.48Å; I241-F245 PolarHBondContact O-N 3.35Å; Q242-F245 PolarHBondContact O-N 2.99Å; F245-Q247 VanDerWaalsContact C-N 3.32Å; F245-Q247 PolarHBondContact O-N 3.48Å; F245-L248 PolarHBondContact O-N 3.05Å; F245-N249 VanDerWaalsContact CE1-ND2 3.29Å; F245-N249 WeakPolarHBondContact CE1-ND2 3.38Å; F245-N249 PolarHBondContact O-N 2.93Å
246T87.1Confident85.4Confident75 Ų75104.7 Ų104.746%0.4649%0.491SS..Hα-helixtrans-62.5-36.3173.6-55.60000112.4Q242 K243 Q244 K250Q242-T246 WeakPolarHBondContact O-CB 3.41Å; Q242-T246 PolarHBondContact O-N 3.16Å; Q242-T246 PolarHBondContact O-OG1 3.46Å; K243-T246 PolarHBondContact O-N 2.83Å; Q244-T246 VanDerWaalsContact C-N 3.31Å; Q244-T246 PolarHBondContact O-N 2.9Å; T246-K250 WeakPolarHBondContact O-CG 3.33Å; T246-K250 PolarHBondContact O-N 3.36Å
247Q85.2Confident85.8Confident117 Ų117101.1 Ų101.155%0.54749%0.487SS..Hα-helixtrans-70.9-43.3173.6-72178.5-7.100112K243 Q244 F245 N249 K250 Y251K243-Q247 PolarHBondContact O-N 3.28Å; K243-Q247 VanDerWaalsContact O-N 3.11Å; Q244-Q247 WeakPolarHBondContact O-CB 3.44Å; Q244-Q247 PolarHBondContact O-N 2.99Å; Q244-Q247 VanDerWaalsContact O-N 3.08Å; F245-Q247 VanDerWaalsContact C-N 3.32Å; F245-Q247 PolarHBondContact O-N 3.48Å; Q247-N249 VanDerWaalsContact C-N 3.33Å; Q247-N249 PolarHBondContact O-N 3.48Å; Q247-K250 PolarHBondContact O-N 2.85Å; Q247-Y251 HydrophobicContact CB-CE2 4.48Å; Q247-Y251 WeakPolarHBondContact O-CD2 3.36Å; Q247-Y251 PolarHBondContact O-N 2.94Å
248L83.1Confident85.9Confident111 Ų111104 Ų10458%0.58150%0.495SS*.Hα-helixtrans-59.5-41.9176.2-73171.6000111.9Q244 F245 K250 Y251 K252Q244-L248 WeakPolarHBondContact O-CG 3.29Å; Q244-L248 PolarHBondContact O-N 3.44Å; F245-L248 PolarHBondContact O-N 3.05Å; L248-K250 PolarHBondContact O-N 3.21Å; L248-Y251 PolarHBondContact O-N 3.13Å; L248-K252 WeakPolarHBondContact O-CB 3.38Å; L248-K252 PolarHBondContact O-N 2.94Å
249N87Confident86.1Confident61 Ų61104.3 Ų104.333%0.32649%0.494SS..Hα-helixtrans-62.2-41.6175.1-75.4-14.9000112.2F245 Q247 Y251 K252 E253F245-N249 VanDerWaalsContact CE1-ND2 3.29Å; F245-N249 WeakPolarHBondContact CE1-ND2 3.38Å; F245-N249 PolarHBondContact O-N 2.93Å; Q247-N249 VanDerWaalsContact C-N 3.33Å; Q247-N249 PolarHBondContact O-N 3.48Å; N249-Y251 PolarHBondContact O-N 3.2Å; N249-K252 WeakPolarHBondContact O-CB 3.5Å; N249-K252 PolarHBondContact O-N 3.48Å; N249-K252 VanDerWaalsContact O-N 3.16Å; N249-E253 WeakPolarHBondContact O-CG 3.23Å; N249-E253 PolarHBondContact O-N 3.31Å
250K88.1Confident86.3Confident125 Ų125107.5 Ų107.554%0.54351%0.509SS..Hα-helixtrans-62.3-40.2174.7-72.4177179.3-174.90113T246 Q247 L248 K252 Q254T246-K250 WeakPolarHBondContact O-CG 3.33Å; T246-K250 PolarHBondContact O-N 3.36Å; Q247-K250 PolarHBondContact O-N 2.85Å; L248-K250 PolarHBondContact O-N 3.21Å; K250-K252 VanDerWaalsContact C-N 3.33Å; K250-Q254 WeakPolarHBondContact O-CG 3.13Å; K250-Q254 PolarHBondContact O-N 2.87Å; K250-Q254 VanDerWaalsContact O-N 3.08Å
251Y86.1Confident86.4Confident128 Ų128107.3 Ų107.350%0.50251%0.511SS..Hα-helixtrans-68.2-34174.4-71-59.2000112.2Q247 L248 N249 L255Q247-Y251 HydrophobicContact CB-CE2 4.48Å; Q247-Y251 WeakPolarHBondContact O-CD2 3.36Å; Q247-Y251 PolarHBondContact O-N 2.94Å; L248-Y251 PolarHBondContact O-N 3.13Å; N249-Y251 PolarHBondContact O-N 3.2Å; Y251-L255 WeakPolarHBondContact O-CB 3.46Å; Y251-L255 PolarHBondContact O-N 2.95Å
252K89.7Confident86.5Confident128 Ų128105.3 Ų105.356%0.55750%0.504SS*.Hα-helixtrans-66.3-46.8174.3-174.5-178.1175.4-174.70112L248 N249 K250 Q254 L255 D256L248-K252 WeakPolarHBondContact O-CB 3.38Å; L248-K252 PolarHBondContact O-N 2.94Å; N249-K252 WeakPolarHBondContact O-CB 3.5Å; N249-K252 PolarHBondContact O-N 3.48Å; N249-K252 VanDerWaalsContact O-N 3.16Å; K250-K252 VanDerWaalsContact C-N 3.33Å; K252-Q254 VanDerWaalsContact C-N 3.31Å; K252-Q254 PolarHBondContact O-N 3.49Å; K252-L255 WeakPolarHBondContact O-CB 3.32Å; K252-L255 PolarHBondContact O-N 3.21Å; K252-L255 VanDerWaalsContact O-N 3.13Å; K252-D256 PolarHBondContact O-N 3.47Å
253E87.9Confident86.5Confident135 Ų135103 Ų10363%0.63150%0.502SS*.Hα-helixtrans-57.7-43174.2-72.8166.3-174.800111.7N249 D256 C257N249-E253 WeakPolarHBondContact O-CG 3.23Å; N249-E253 PolarHBondContact O-N 3.31Å; E253-D256 PolarHBondContact O-N 2.85Å; E253-C257 WeakPolarHBondContact O-CB 3.48Å; E253-C257 PolarHBondContact O-N 3.13Å
254Q86.9Confident86.6Confident102 Ų102101.6 Ų101.648%0.47751%0.507SS..Hα-helixtrans-63.1-43.8173.7-73.9176.72.300112.2K250 K252 D256 C257 Y258K250-Q254 WeakPolarHBondContact O-CG 3.13Å; K250-Q254 PolarHBondContact O-N 2.87Å; K250-Q254 VanDerWaalsContact O-N 3.08Å; K252-Q254 VanDerWaalsContact C-N 3.31Å; K252-Q254 PolarHBondContact O-N 3.49Å; Q254-D256 VanDerWaalsContact C-N 3.34Å; Q254-D256 PolarHBondContact O-N 3.27Å; Q254-C257 PolarHBondContact O-N 2.75Å; Q254-Y258 HydrophobicContact CB-CE2 4.41Å; Q254-Y258 WeakPolarHBondContact O-CD2 3.26Å; Q254-Y258 PolarHBondContact O-N 2.64Å
255L85.3Confident86.8Confident94 Ų94101.6 Ų101.649%0.49251%0.509SS..Hα-helixtrans-62.1-40.4178-18064.7000112.2Y251 K252 Y258 K259Y251-L255 WeakPolarHBondContact O-CB 3.46Å; Y251-L255 PolarHBondContact O-N 2.95Å; K252-L255 WeakPolarHBondContact O-CB 3.32Å; K252-L255 PolarHBondContact O-N 3.21Å; K252-L255 VanDerWaalsContact O-N 3.13Å; L255-Y258 PolarHBondContact O-N 3.45Å; L255-K259 WeakPolarHBondContact O-CG 3.45Å; L255-K259 PolarHBondContact O-N 2.92Å
256D89Confident86.8Confident69 Ų6999.3 Ų99.337%0.36950%0.5SS..Hα-helixtrans-70.9-37.3179.3-67.8-26.6000111.5K252 E253 Q254 K259 E260K252-D256 PolarHBondContact O-N 3.47Å; E253-D256 PolarHBondContact O-N 2.85Å; Q254-D256 VanDerWaalsContact C-N 3.34Å; Q254-D256 PolarHBondContact O-N 3.27Å; D256-K259 PolarHBondContact O-N 3.13Å; D256-K259 IonicContact OD1-NZ 3.84Å; D256-K259 PolarHBondContact OD1-NZ 3.47Å; D256-E260 PolarHBondContact O-N 2.99Å
257C87.7Confident86.6Confident70 Ų7099.4 Ų99.447%0.47350%0.504SS..Hα-helixtrans-60.1-42.81681790000112.3E253 Q254 K259 E260 T261E253-C257 WeakPolarHBondContact O-CB 3.48Å; E253-C257 PolarHBondContact O-N 3.13Å; Q254-C257 PolarHBondContact O-N 2.75Å; C257-K259 PolarHBondContact O-N 3.08Å; C257-E260 PolarHBondContact O-N 3.23Å; C257-T261 WeakPolarHBondContact O-CG2 3.46Å; C257-T261 PolarHBondContact O-N 2.69Å; C257-T261 PolarHBondContact O-OG1 3.2Å
258Y84.7Confident86.8Confident155 Ų155100 Ų10061%0.60850%0.502SS*.Hα-helixtrans-62.1-42.6175.3-75.9-56.9000112.1Q254 L255 E260 T261 T262Q254-Y258 HydrophobicContact CB-CE2 4.41Å; Q254-Y258 WeakPolarHBondContact O-CD2 3.26Å; Q254-Y258 PolarHBondContact O-N 2.64Å; L255-Y258 PolarHBondContact O-N 3.45Å; Y258-E260 PolarHBondContact O-N 2.98Å; Y258-T261 WeakPolarHBondContact CA-OG1 3.48Å; Y258-T261 PolarHBondContact O-N 2.95Å; Y258-T261 PolarHBondContact O-OG1 3.45Å; Y258-T262 PolarHBondContact O-N 3.02Å; Y258-T262 PolarHBondContact O-OG1 3.23Å
259K88.6Confident86.9Confident111 Ų11199.2 Ų99.248%0.48350%0.497SS..Hα-helixtrans-59.1-44.5174.8-68.8169-168.5156.50112.3L255 D256 C257 T262 A263L255-K259 WeakPolarHBondContact O-CG 3.45Å; L255-K259 PolarHBondContact O-N 2.92Å; D256-K259 PolarHBondContact O-N 3.13Å; D256-K259 IonicContact OD1-NZ 3.84Å; D256-K259 PolarHBondContact OD1-NZ 3.47Å; C257-K259 PolarHBondContact O-N 3.08Å; K259-T262 PolarHBondContact O-N 3.11Å; K259-A263 PolarHBondContact O-N 3.17Å
260E88.7Confident86.9Confident150 Ų150101.3 Ų101.370%0.70151%0.508SS*.Hα-helixtrans-63.1-42.7178.7-172.8172.1-163.100111.5D256 C257 Y258 T262 A263 S264D256-E260 PolarHBondContact O-N 2.99Å; C257-E260 PolarHBondContact O-N 3.23Å; Y258-E260 PolarHBondContact O-N 2.98Å; E260-T262 PolarHBondContact O-N 3.37Å; E260-A263 PolarHBondContact O-N 2.97Å; E260-S264 WeakPolarHBondContact O-CB 3.22Å; E260-S264 PolarHBondContact O-N 3.39Å
261T86.4Confident86.9Confident68 Ų6899.6 Ų99.642%0.41750%0.502SS..Hα-helixtrans-65.5-35.4173.659.80000113C257 Y258 S264 L265C257-T261 WeakPolarHBondContact O-CG2 3.46Å; C257-T261 PolarHBondContact O-N 2.69Å; C257-T261 PolarHBondContact O-OG1 3.2Å; Y258-T261 WeakPolarHBondContact CA-OG1 3.48Å; Y258-T261 PolarHBondContact O-N 2.95Å; Y258-T261 PolarHBondContact O-OG1 3.45Å; T261-S264 PolarHBondContact O-N 3.35Å; T261-L265 VanDerWaalsContact O-CG 3.3Å; T261-L265 WeakPolarHBondContact O-CG 3.31Å; T261-L265 PolarHBondContact O-N 2.68Å
262T83.1Confident86.9Confident68 Ų6897.2 Ų97.242%0.41750%0.498SS..Hα-helixtrans-65.6-46.7175.1-58.60000111.2Y258 K259 E260 S264 L265 E266Y258-T262 PolarHBondContact O-N 3.02Å; Y258-T262 PolarHBondContact O-OG1 3.23Å; K259-T262 PolarHBondContact O-N 3.11Å; E260-T262 PolarHBondContact O-N 3.37Å; T262-S264 VanDerWaalsContact C-N 3.32Å; T262-S264 PolarHBondContact O-N 2.98Å; T262-L265 PolarHBondContact O-N 3.47Å; T262-L265 VanDerWaalsContact O-N 3.15Å; T262-E266 WeakPolarHBondContact CG2-OE1 3.43Å; T262-E266 WeakPolarHBondContact O-CG 3.45Å; T262-E266 PolarHBondContact O-N 2.82Å
263A86.3Confident86.8Confident53 Ų5396.1 Ų96.144%0.43849%0.494SS..Hα-helixtrans-62-37.1176.100000112.8K259 E260 E266 S267K259-A263 PolarHBondContact O-N 3.17Å; E260-A263 PolarHBondContact O-N 2.97Å; A263-E266 PolarHBondContact O-N 2.92Å; A263-S267 PolarHBondContact O-N 3.49Å
264S87.4Confident86.7Confident80 Ų8093.7 Ų93.756%0.55949%0.489SS*.Hα-helixtrans-63.4-42.8173-178.80000112.3E260 T261 T262 S267 Y268E260-S264 WeakPolarHBondContact O-CB 3.22Å; E260-S264 PolarHBondContact O-N 3.39Å; T261-S264 PolarHBondContact O-N 3.35Å; T262-S264 VanDerWaalsContact C-N 3.32Å; T262-S264 PolarHBondContact O-N 2.98Å; S264-S267 PolarHBondContact O-N 3.04Å; S264-Y268 PolarHBondContact O-N 3Å
265L88.8Confident86.7Confident106 Ų10693.8 Ų93.856%0.55549%0.488SS*.Hα-helixtrans-67.3-38.3175.7-71.8169.4000112.6T261 T262 Y268 I269T261-L265 VanDerWaalsContact O-CG 3.3Å; T261-L265 WeakPolarHBondContact O-CG 3.31Å; T261-L265 PolarHBondContact O-N 2.68Å; T262-L265 PolarHBondContact O-N 3.47Å; T262-L265 VanDerWaalsContact O-N 3.15Å; L265-Y268 PolarHBondContact O-N 3.43Å; L265-I269 VanDerWaalsContact O-CG1 3.28Å; L265-I269 WeakPolarHBondContact O-CG1 3.43Å; L265-I269 PolarHBondContact O-N 3.19Å
266E85.4Confident86.7Confident79 Ų7992.3 Ų92.337%0.36948%0.48SS..Hα-helixtrans-60.1-46.3173.5-74.1166.6-165.300111.4T262 A263 Y268 I269 L270 I350T262-E266 WeakPolarHBondContact CG2-OE1 3.43Å; T262-E266 WeakPolarHBondContact O-CG 3.45Å; T262-E266 PolarHBondContact O-N 2.82Å; A263-E266 PolarHBondContact O-N 2.92Å; E266-Y268 VanDerWaalsContact C-N 3.33Å; E266-Y268 PolarHBondContact O-N 2.9Å; E266-I269 PolarHBondContact O-N 3.28Å; E266-L270 WeakPolarHBondContact O-CG 3.15Å; E266-L270 PolarHBondContact O-N 3.42Å; E266-I350 HydrophobicContact CG-CD1 4.14Å; E266-I350 WeakPolarHBondContact OE1-CD1 3.48Å
267S83.6Confident86.5Confident77 Ų7793.3 Ų93.354%0.53849%0.489SS..Hα-helixtrans-58.2-43.4174.4-172.70000112.3A263 S264 L270 E271A263-S267 PolarHBondContact O-N 3.49Å; S264-S267 PolarHBondContact O-N 3.04Å; S267-L270 PolarHBondContact O-N 3.08Å; S267-E271 PolarHBondContact O-N 3.45Å
268Y88.4Confident86.5Confident131 Ų13194.9 Ų94.951%0.51449%0.492SS..Hα-helixtrans-67.8-34.9177.2-174.6-113.2000113.1S264 L265 E266 E271 L272S264-Y268 PolarHBondContact O-N 3Å; L265-Y268 PolarHBondContact O-N 3.43Å; E266-Y268 VanDerWaalsContact C-N 3.33Å; E266-Y268 PolarHBondContact O-N 2.9Å; Y268-E271 PolarHBondContact O-N 2.94Å; Y268-L272 HydrophobicContact CD1-CD1 3.92Å; Y268-L272 HydrophobicContact CD1-CG 4.48Å; Y268-L272 HydrophobicContact CE1-CD1 3.48Å; Y268-L272 VanDerWaalsContact CE1-CD1 3.48Å; Y268-L272 HydrophobicContact CE1-CG 4.15Å; Y268-L272 HydrophobicContact CE2-CG 4.42Å; Y268-L272 WeakPolarHBondContact O-CB 3.41Å; Y268-L272 WeakPolarHBondContact O-CG 3.46Å; Y268-L272 PolarHBondContact O-N 3.45Å
269I86.9Confident86.5Confident93 Ų9391.4 Ų91.448%0.47748%0.483SS..Hα-helixtrans-64.9-44.1173.5-71.4164.1000110.5L265 E266 L272 Q273L265-I269 VanDerWaalsContact O-CG1 3.28Å; L265-I269 WeakPolarHBondContact O-CG1 3.43Å; L265-I269 PolarHBondContact O-N 3.19Å; E266-I269 PolarHBondContact O-N 3.28Å; I269-L272 PolarHBondContact O-N 3.28Å; I269-Q273 HydrophobicContact CG2-CG 4.47Å; I269-Q273 WeakPolarHBondContact O-CG 3.38Å; I269-Q273 PolarHBondContact O-N 2.88Å
270L86.4Confident86.2Confident105 Ų10589.6 Ų89.655%0.5548%0.476SS..Hα-helixtrans-61.3-44.2175-71.7166.7000111.5E266 S267 L272 Q273 V274E266-L270 WeakPolarHBondContact O-CG 3.15Å; E266-L270 PolarHBondContact O-N 3.42Å; S267-L270 PolarHBondContact O-N 3.08Å; L270-L272 VanDerWaalsContact C-N 3.34Å; L270-L272 PolarHBondContact O-N 3.11Å; L270-Q273 PolarHBondContact O-N 3.41Å; L270-V274 WeakPolarHBondContact O-CG2 3.43Å; L270-V274 PolarHBondContact O-N 3Å
271E87.1Confident85.8Confident89 Ų8987.5 Ų87.542%0.41647%0.466SS..Hα-helixtrans-59.3-43.2175.7-166-161.7153.100112S267 Y268 V274 K275S267-E271 PolarHBondContact O-N 3.45Å; Y268-E271 PolarHBondContact O-N 2.94Å; E271-V274 PolarHBondContact O-N 3.31Å; E271-K275 HydrophobicContact CG-CD 4.47Å; E271-K275 WeakPolarHBondContact O-CB 3.47Å; E271-K275 WeakPolarHBondContact O-CG 3.42Å; E271-K275 PolarHBondContact O-N 3.13Å; E271-K275 VanDerWaalsContact OE1-CE 3.3Å; E271-K275 WeakPolarHBondContact OE1-CE 3.38Å; E271-K275 IonicContact OE1-NZ 3.04Å; E271-K275 PolarHBondContact OE1-NZ 3.08Å
272L86.7Confident85.7Confident78 Ų7890.7 Ų90.741%0.40848%0.476SS..Hα-helixtrans-67.2-37.6175.7-74.6177.5000112.7Y268 I269 L270 K275 L276Y268-L272 HydrophobicContact CD1-CD1 3.92Å; Y268-L272 HydrophobicContact CD1-CG 4.48Å; Y268-L272 HydrophobicContact CE1-CD1 3.48Å; Y268-L272 VanDerWaalsContact CE1-CD1 3.48Å; Y268-L272 HydrophobicContact CE1-CG 4.15Å; Y268-L272 HydrophobicContact CE2-CG 4.42Å; Y268-L272 WeakPolarHBondContact O-CB 3.41Å; Y268-L272 WeakPolarHBondContact O-CG 3.46Å; Y268-L272 PolarHBondContact O-N 3.45Å; I269-L272 PolarHBondContact O-N 3.28Å; L270-L272 VanDerWaalsContact C-N 3.34Å; L270-L272 PolarHBondContact O-N 3.11Å; L272-K275 PolarHBondContact O-N 2.93Å; L272-L276 WeakPolarHBondContact O-CB 3.39Å; L272-L276 PolarHBondContact O-N 2.87Å
273Q87.1Confident85.6Confident105 Ų10595 Ų9549%0.49149%0.486SS..Hα-helixtrans-63.1-46.1174.7-76171.9-2100111I269 L270 K275 L276 T277I269-Q273 HydrophobicContact CG2-CG 4.47Å; I269-Q273 WeakPolarHBondContact O-CG 3.38Å; I269-Q273 PolarHBondContact O-N 2.88Å; L270-Q273 PolarHBondContact O-N 3.41Å; Q273-K275 PolarHBondContact O-N 3.41Å; Q273-L276 PolarHBondContact O-N 3.16Å; Q273-T277 PolarHBondContact O-N 2.88Å; Q273-T277 PolarHBondContact O-OG1 3.42Å
274V87.4Confident85.2Confident85 Ų8596.1 Ų96.152%0.51549%0.485SS..Hα-helixtrans-61.5-44.4175.7172.50000111.6L270 E271 L276 T277 L278L270-V274 WeakPolarHBondContact O-CG2 3.43Å; L270-V274 PolarHBondContact O-N 3Å; E271-V274 PolarHBondContact O-N 3.31Å; V274-L276 VanDerWaalsContact C-N 3.3Å; V274-L276 PolarHBondContact O-N 2.92Å; V274-T277 WeakPolarHBondContact CA-OG1 3.48Å; V274-T277 PolarHBondContact O-N 3.47Å; V274-T277 PolarHBondContact O-OG1 3.22Å; V274-L278 HydrophobicContact CG1-CD1 4.11Å; V274-L278 WeakPolarHBondContact O-CG 3.35Å; V274-L278 PolarHBondContact O-N 3.46Å
275K86.3Confident84.8Confident104 Ų10497.6 Ų97.645%0.45248%0.483SS..Hα-helixtrans-60.2-40.4175.1-78.3170.8170.81730112E271 L272 Q273 I279E271-K275 HydrophobicContact CG-CD 4.47Å; E271-K275 WeakPolarHBondContact O-CB 3.47Å; E271-K275 WeakPolarHBondContact O-CG 3.42Å; E271-K275 PolarHBondContact O-N 3.13Å; E271-K275 VanDerWaalsContact OE1-CE 3.3Å; E271-K275 WeakPolarHBondContact OE1-CE 3.38Å; E271-K275 IonicContact OE1-NZ 3.04Å; E271-K275 PolarHBondContact OE1-NZ 3.08Å; L272-K275 PolarHBondContact O-N 2.93Å; Q273-K275 PolarHBondContact O-N 3.41Å; K275-I279 VanDerWaalsContact O-CG1 3.3Å; K275-I279 WeakPolarHBondContact O-CG1 3.05Å; K275-I279 PolarHBondContact O-N 3.47Å; K275-I279 VanDerWaalsContact O-N 3.12Å
276L86Confident84.3Confident63 Ų6396.3 Ų96.333%0.3347%0.474SS..Hα-helixtrans-72.1-38.7179.8-175.364.4000112.6L272 Q273 V274 I279 H280 F302L272-L276 WeakPolarHBondContact O-CB 3.39Å; L272-L276 PolarHBondContact O-N 2.87Å; Q273-L276 PolarHBondContact O-N 3.16Å; V274-L276 VanDerWaalsContact C-N 3.3Å; V274-L276 PolarHBondContact O-N 2.92Å; L276-I279 PolarHBondContact O-N 3.45Å; L276-H280 PolarHBondContact O-CD2 3.17Å; L276-H280 PolarHBondContact O-N 3.31Å; L276-F302 HydrophobicContact CD2-CE2 4.08Å; L276-F302 HydrophobicContact CD2-CZ 3.52Å
277T84.1Confident83.7Confident90 Ų9094.9 Ų94.955%0.55247%0.469SS*.Hα-helixtrans-65.1-40.7174.949.20000111.7Q273 V274 I279 H280 E281Q273-T277 PolarHBondContact O-N 2.88Å; Q273-T277 PolarHBondContact O-OG1 3.42Å; V274-T277 WeakPolarHBondContact CA-OG1 3.48Å; V274-T277 PolarHBondContact O-N 3.47Å; V274-T277 PolarHBondContact O-OG1 3.22Å; T277-I279 VanDerWaalsContact C-N 3.34Å; T277-I279 PolarHBondContact O-N 3.15Å; T277-H280 PolarHBondContact O-N 3.39Å; T277-E281 PolarHBondContact O-N 2.91Å
278L86.7Confident83.2Confident102 Ų10297.5 Ų97.553%0.53447%0.47SS..Hα-helixtrans-60.4-42.2173.6-73.7168.7000112.1V274 E281 Q282V274-L278 HydrophobicContact CG1-CD1 4.11Å; V274-L278 WeakPolarHBondContact O-CG 3.35Å; V274-L278 PolarHBondContact O-N 3.46Å; L278-E281 PolarHBondContact O-N 2.89Å; L278-Q282 WeakPolarHBondContact O-CB 3.49Å; L278-Q282 PolarHBondContact O-N 3.31Å
279I85.4Confident82.6Confident83 Ų8399.5 Ų99.543%0.42648%0.477SS..Hα-helixtrans-65.2-43.8176.1-72.2167.4000111K275 L276 T277 Q282 Y283K275-I279 VanDerWaalsContact O-CG1 3.3Å; K275-I279 WeakPolarHBondContact O-CG1 3.05Å; K275-I279 PolarHBondContact O-N 3.47Å; K275-I279 VanDerWaalsContact O-N 3.12Å; L276-I279 PolarHBondContact O-N 3.45Å; T277-I279 VanDerWaalsContact C-N 3.34Å; T277-I279 PolarHBondContact O-N 3.15Å; I279-Q282 PolarHBondContact O-N 3.06Å; I279-Y283 HydrophobicContact CG2-CD2 3.69Å; I279-Y283 HydrophobicContact CG2-CE2 3.58Å; I279-Y283 VanDerWaalsContact O-CD2 3.23Å; I279-Y283 WeakPolarHBondContact O-CD2 3.47Å; I279-Y283 PolarHBondContact O-N 3.29Å
280H81.5Confident81.7Confident72 Ų72100.3 Ų100.333%0.33348%0.482SS..Hα-helixtrans-61.8-42.2175.3-85-60.9000112.3L276 T277 Q282 Y283 D284L276-H280 PolarHBondContact O-CD2 3.17Å; L276-H280 PolarHBondContact O-N 3.31Å; T277-H280 PolarHBondContact O-N 3.39Å; H280-Q282 PolarHBondContact O-N 3.48Å; H280-Y283 PolarHBondContact O-N 2.81Å; H280-D284 PolarHBondContact O-N 2.92Å
281E81.3Confident80.6Confident107 Ų10798.2 Ų98.250%0.549%0.486SS..Hα-helixtrans-61.9-43.2175.6-167.5-174.5166.300111.5T277 L278 Y283 D284 Q285T277-E281 PolarHBondContact O-N 2.91Å; L278-E281 PolarHBondContact O-N 2.89Å; E281-Y283 VanDerWaalsContact C-N 3.34Å; E281-Y283 PolarHBondContact O-N 3.44Å; E281-D284 PolarHBondContact O-N 3.35Å; E281-Q285 WeakPolarHBondContact O-CB 3.45Å; E281-Q285 VanDerWaalsContact O-CG 3.29Å; E281-Q285 WeakPolarHBondContact O-CG 3.45Å; E281-Q285 PolarHBondContact O-N 3.38Å; E281-Q285 PolarHBondContact OE1-NE2 3.36Å; E281-Q285 VanDerWaalsContact OE1-NE2 3.13Å
282Q83.4Confident79.2Confident135 Ų13597.6 Ų97.663%0.63149%0.488SS*.Hα-helixtrans-60.8-41.4175.1-173.7-177.7-1100112L278 I279 H280 Q285 E286L278-Q282 WeakPolarHBondContact O-CB 3.49Å; L278-Q282 PolarHBondContact O-N 3.31Å; I279-Q282 PolarHBondContact O-N 3.06Å; H280-Q282 PolarHBondContact O-N 3.48Å; Q282-Q285 PolarHBondContact O-N 3.06Å; Q282-E286 PolarHBondContact O-N 2.98Å
283Y81.8Confident77.6Confident157 Ų157100.7 Ų100.762%0.61651%0.505SS*.Hα-helixtrans-65-41.5174-84.6-67.4000112.2I279 H280 E281 Q285 E286 L287I279-Y283 HydrophobicContact CG2-CD2 3.69Å; I279-Y283 HydrophobicContact CG2-CE2 3.58Å; I279-Y283 VanDerWaalsContact O-CD2 3.23Å; I279-Y283 WeakPolarHBondContact O-CD2 3.47Å; I279-Y283 PolarHBondContact O-N 3.29Å; H280-Y283 PolarHBondContact O-N 2.81Å; E281-Y283 VanDerWaalsContact C-N 3.34Å; E281-Y283 PolarHBondContact O-N 3.44Å; Y283-Q285 VanDerWaalsContact C-N 3.34Å; Y283-Q285 PolarHBondContact O-N 3.07Å; Y283-E286 PolarHBondContact O-N 3.3Å; Y283-L287 WeakPolarHBondContact O-CB 3.41Å; Y283-L287 VanDerWaalsContact O-CG 3.27Å; Y283-L287 WeakPolarHBondContact O-CG 3.32Å; Y283-L287 PolarHBondContact O-N 2.98Å
284D78.1Confident76Confident78 Ų78101.8 Ų101.842%0.41751%0.51SS..Hα-helixtrans-66.6-34.5177-82.4-11.4000112.5H280 E281 K288H280-D284 PolarHBondContact O-N 2.92Å; E281-D284 PolarHBondContact O-N 3.35Å; D284-K288 WeakPolarHBondContact O-CB 3.41Å; D284-K288 WeakPolarHBondContact O-CD 3.29Å; D284-K288 VanDerWaalsContact O-CG 3.24Å; D284-K288 WeakPolarHBondContact O-CG 3.37Å; D284-K288 PolarHBondContact O-N 3Å
285Q79.3Confident74.3Confident110 Ų110103.2 Ų103.251%0.51452%0.524SS..Hα-helixtrans-65-43.5171.9-71.6176.817.300111.4E281 Q282 Y283 K288 R289E281-Q285 WeakPolarHBondContact O-CB 3.45Å; E281-Q285 VanDerWaalsContact O-CG 3.29Å; E281-Q285 WeakPolarHBondContact O-CG 3.45Å; E281-Q285 PolarHBondContact O-N 3.38Å; E281-Q285 PolarHBondContact OE1-NE2 3.36Å; E281-Q285 VanDerWaalsContact OE1-NE2 3.13Å; Q282-Q285 PolarHBondContact O-N 3.06Å; Y283-Q285 VanDerWaalsContact C-N 3.34Å; Y283-Q285 PolarHBondContact O-N 3.07Å; Q285-K288 WeakPolarHBondContact O-CB 3.48Å; Q285-K288 PolarHBondContact O-N 3.34Å; Q285-R289 PolarHBondContact O-N 3.42Å
286E77.9Confident72.4Confident79 Ų79109.5 Ų109.537%0.36955%0.545SS..Hα-helixtrans-70.9-35.1177.8-172.460.8-16900112.3Q282 Y283 R289 L290Q282-E286 PolarHBondContact O-N 2.98Å; Y283-E286 PolarHBondContact O-N 3.3Å; E286-R289 VanDerWaalsContact CD-NE 3.33Å; E286-R289 WeakPolarHBondContact O-CB 3.3Å; E286-R289 PolarHBondContact O-N 3.04Å; E286-R289 VanDerWaalsContact O-N 3.17Å; E286-R289 IonicContact OE1-CZ 3.88Å; E286-R289 VanDerWaalsContact OE1-CZ 3.31Å; E286-R289 IonicContact OE1-NE 3.23Å; E286-R289 PolarHBondContact OE1-NE 3.45Å; E286-R289 VanDerWaalsContact OE1-NE 3.14Å; E286-R289 IonicContact OE1-NH2 3.26Å; E286-R289 PolarHBondContact OE1-NH2 3.07Å; E286-R289 WeakPolarHBondContact OE2-CD 3.22Å; E286-R289 IonicContact OE2-CZ 2.67Å; E286-R289 IonicContact OE2-NE 3Å; E286-R289 PolarHBondContact OE2-NE 3.02Å; E286-R289 IonicContact OE2-NH2 2.67Å; E286-L290 HydrophobicContact CG-CD1 4.31Å; E286-L290 WeakPolarHBondContact O-CG 3.3Å; E286-L290 PolarHBondContact O-N 3.47Å
287L72.4Confident70.5Confident49 Ų49111.7 Ų111.726%0.25756%0.556SS.*Hα-helixtrans-62.7-41.3171.6-76164.3000112.3Y283 R289 L290 G291 V292 L297Y283-L287 WeakPolarHBondContact O-CB 3.41Å; Y283-L287 VanDerWaalsContact O-CG 3.27Å; Y283-L287 WeakPolarHBondContact O-CG 3.32Å; Y283-L287 PolarHBondContact O-N 2.98Å; L287-R289 VanDerWaalsContact C-N 3.33Å; L287-L290 PolarHBondContact O-N 2.99Å; L287-G291 PolarHBondContact O-N 3.24Å; L287-V292 PolarHBondContact O-N 3.31Å; L287-L297 HydrophobicContact CD1-CD1 3.62Å; L287-L297 HydrophobicContact CD2-CD1 3.9Å; L287-L297 HydrophobicContact CG-CD1 4.4Å
288K73.4Confident68.7Low133 Ų133113.7 Ų113.758%0.57857%0.569SS**Hα-helixtrans-60.8-42170.9-74.5164.7-1771680111.1D284 Q285 L290 G291D284-K288 WeakPolarHBondContact O-CB 3.41Å; D284-K288 WeakPolarHBondContact O-CD 3.29Å; D284-K288 VanDerWaalsContact O-CG 3.24Å; D284-K288 WeakPolarHBondContact O-CG 3.37Å; D284-K288 PolarHBondContact O-N 3Å; Q285-K288 WeakPolarHBondContact O-CB 3.48Å; Q285-K288 PolarHBondContact O-N 3.34Å; K288-L290 VanDerWaalsContact C-N 3.28Å; K288-L290 PolarHBondContact O-N 3.21Å; K288-G291 PolarHBondContact O-N 3.42Å
289R74.8Confident66.7Low172 Ų172112.4 Ų112.465%0.64957%0.572SS**Hα-helixtrans-64.5-30.4177.6-157.7-173.270.675.82.5113.2Q285 E286 L287Q285-R289 PolarHBondContact O-N 3.42Å; E286-R289 VanDerWaalsContact CD-NE 3.33Å; E286-R289 WeakPolarHBondContact O-CB 3.3Å; E286-R289 PolarHBondContact O-N 3.04Å; E286-R289 VanDerWaalsContact O-N 3.17Å; E286-R289 IonicContact OE1-CZ 3.88Å; E286-R289 VanDerWaalsContact OE1-CZ 3.31Å; E286-R289 IonicContact OE1-NE 3.23Å; E286-R289 PolarHBondContact OE1-NE 3.45Å; E286-R289 VanDerWaalsContact OE1-NE 3.14Å; E286-R289 IonicContact OE1-NH2 3.26Å; E286-R289 PolarHBondContact OE1-NH2 3.07Å; E286-R289 WeakPolarHBondContact OE2-CD 3.22Å; E286-R289 IonicContact OE2-CZ 2.67Å; E286-R289 IonicContact OE2-NE 3Å; E286-R289 PolarHBondContact OE2-NE 3.02Å; E286-R289 IonicContact OE2-NH2 2.67Å; L287-R289 VanDerWaalsContact C-N 3.33Å
290L68.9Low65Low110 Ų110112.1 Ų112.158%0.57658%0.576SS**THydrogen-bonded Turntrans-88.82.2178.1-67.1172.6000114.3E286 L287 K288 V292E286-L290 HydrophobicContact CG-CD1 4.31Å; E286-L290 WeakPolarHBondContact O-CG 3.3Å; E286-L290 PolarHBondContact O-N 3.47Å; L287-L290 PolarHBondContact O-N 2.99Å; K288-L290 VanDerWaalsContact C-N 3.28Å; K288-L290 PolarHBondContact O-N 3.21Å; L290-V292 VanDerWaalsContact C-N 3.31Å; L290-V292 HydrophobicContact CB-CG2 4.45Å; L290-V292 PolarHBondContact O-N 2.93Å
291G63.8Low63.2Low62 Ų62113.6 Ų113.664%0.63959%0.59SS**THydrogen-bonded Turntrans69.621.9172.800000115.1L287 K288 N293L287-G291 PolarHBondContact O-N 3.24Å; K288-G291 PolarHBondContact O-N 3.42Å; G291-N293 PolarHBondContact O-N 3.17Å
292V57.6Low61.5Low76 Ų76114.8 Ų114.846%0.46159%0.594SS.*  trans-84.4113.7-180-178.30000109.8L287 L290 Q294L287-V292 PolarHBondContact O-N 3.31Å; L290-V292 VanDerWaalsContact C-N 3.31Å; L290-V292 HydrophobicContact CB-CG2 4.45Å; L290-V292 PolarHBondContact O-N 2.93Å; V292-Q294 PolarHBondContact O-N 3.4Å
293N53.1Low59.8Low142 Ų142118 Ų11876%0.75960%0.6SS**  trans-60.7127.1177.8-72.9-40.2000111.5G291 S295G291-N293 PolarHBondContact O-N 3.17Å; N293-S295 PolarHBondContact O-N 3.41Å
294Q53.2Low58Low128 Ų128116.6 Ų116.660%0.59860%0.604SS**SBendtrans-69.4-4.8-161.9-67.3167.6-49.900115.9V292 R296 L297V292-Q294 PolarHBondContact O-N 3.4Å; Q294-R296 PolarHBondContact O-N 2.98Å; Q294-L297 PolarHBondContact O-N 3.03Å
295S51.7Low56.5Low116 Ų116116.2 Ų116.281%0.81160%0.601SS**THydrogen-bonded Turntrans-72.215.7-168.157.50000116.3N293N293-S295 PolarHBondContact O-N 3.41Å
296R46.5Very low55Low235 Ų235114.5 Ų114.589%0.88760%0.599SS**THydrogen-bonded Turntrans-139-1179.7-102.5-175.9165.1-165.6-6.2116.2Q294Q294-R296 PolarHBondContact O-N 2.98Å
297L46.6Very low53.3Low109 Ų109116.1 Ų116.157%0.57161%0.61SS**  trans-106.681.5177.2-71.2163.8000109.1L287 Q294 A299L287-L297 HydrophobicContact CD1-CD1 3.62Å; L287-L297 HydrophobicContact CD2-CD1 3.9Å; L287-L297 HydrophobicContact CG-CD1 4.4Å; Q294-L297 PolarHBondContact O-N 3.03Å; L297-A299 PolarHBondContact O-N 3.5Å
298T46.1Very low51.9Low133 Ų133122.7 Ų122.782%0.81663%0.632SS**  trans-62.2119.4163.345.20000108.3
299A44.8Very low50.5Low74 Ų74122.2 Ų122.261%0.61263%0.63SS**  trans-48.5144.8169.200000110L297 T301L297-A299 PolarHBondContact O-N 3.5Å; A299-T301 VanDerWaalsContact C-N 3.27Å; A299-T301 PolarHBondContact O-N 3.46Å
300P49.4Very low49.1Very low78 Ų78120.2 Ų120.251%0.50663%0.628SS.*  trans-67.788.4179.628.9-34000109.4F302P300-F302 PolarHBondContact O-N 3.48Å; P300-F302 VanDerWaalsContact O-N 3.14Å
301T43.5Very low48Very low103 Ų103121.2 Ų121.263%0.63263%0.63SS**  trans-59.2122.5175.3-41.80000107.8A299 R303A299-T301 VanDerWaalsContact C-N 3.27Å; A299-T301 PolarHBondContact O-N 3.46Å; T301-R303 HydrophobicContact CG2-CB 3.92Å; T301-R303 HydrophobicContact CG2-CG 3.78Å; T301-R303 PolarHBondContact O-N 2.95Å
302F45Very low47.4Very low132 Ų132122.3 Ų122.358%0.57962%0.62SS**G310 helixtrans-64.713.4177.4-77.9-70.1000114.8L276 P300 N304 I305L276-F302 HydrophobicContact CD2-CE2 4.08Å; L276-F302 HydrophobicContact CD2-CZ 3.52Å; P300-F302 PolarHBondContact O-N 3.48Å; P300-F302 VanDerWaalsContact O-N 3.14Å; F302-N304 PolarHBondContact O-N 3.22Å; F302-I305 HydrophobicContact CB-CD1 4.3Å; F302-I305 HydrophobicContact CD1-CD1 3.52Å; F302-I305 HydrophobicContact CD1-CG1 4.27Å; F302-I305 HydrophobicContact CE1-CD1 4.2Å; F302-I305 HydrophobicContact CG-CD1 4.28Å; F302-I305 PolarHBondContact O-N 3.42Å; F302-I305 VanDerWaalsContact O-N 3.09Å
303R48.7Very low46.7Very low201 Ų201124.6 Ų124.676%0.75863%0.625SS**G310 helixtrans-58-11.3-178.5-102.2-177.2176.6169.7-0.1115.7T301T301-R303 HydrophobicContact CG2-CB 3.92Å; T301-R303 HydrophobicContact CG2-CG 3.78Å; T301-R303 PolarHBondContact O-N 2.95Å
304N43.4Very low46.3Very low128 Ų128122.7 Ų122.768%0.68462%0.615SS**G310 helixtrans-100.21.4177.8-77.4-28.2000114.8F302F302-N304 PolarHBondContact O-N 3.22Å
305I47Very low46.1Very low71 Ų71122 Ų12236%0.36461%0.614SS.*Hα-helixtrans-66.9-41.5172.6-68.2-176000113.4F302 N307 R308 F309F302-I305 HydrophobicContact CB-CD1 4.3Å; F302-I305 HydrophobicContact CD1-CD1 3.52Å; F302-I305 HydrophobicContact CD1-CG1 4.27Å; F302-I305 HydrophobicContact CE1-CD1 4.2Å; F302-I305 HydrophobicContact CG-CD1 4.28Å; F302-I305 PolarHBondContact O-N 3.42Å; F302-I305 VanDerWaalsContact O-N 3.09Å; I305-N307 VanDerWaalsContact C-N 3.33Å; I305-N307 PolarHBondContact O-N 2.65Å; I305-R308 PolarHBondContact O-N 2.94Å; I305-F309 HydrophobicContact CG2-CD2 3.61Å; I305-F309 HydrophobicContact CG2-CE2 3.58Å; I305-F309 PolarHBondContact O-N 3.45Å
306P47.1Very low45.8Very low73 Ų73122.5 Ų122.547%0.47461%0.608SS.*Hα-helixtrans-55.9-43.9-177-27.235.4000113.5R308 F309 Q310P306-R308 PolarHBondContact O-N 3.13Å; P306-F309 PolarHBondContact O-N 2.57Å; P306-F309 VanDerWaalsContact O-N 3.11Å; P306-Q310 PolarHBondContact O-N 3.01Å
307N43.2Very low45.7Very low113 Ų113118.1 Ų118.160%0.60460%0.597SS**Hα-helixtrans-64.2-24.8-179.3-65.8-21.2000113.2I305 Q311I305-N307 VanDerWaalsContact C-N 3.33Å; I305-N307 PolarHBondContact O-N 2.65Å; N307-Q311 PolarHBondContact O-N 3.37Å
308R41.4Very low45.1Very low188 Ų188120.8 Ų120.871%0.70961%0.605SS**Hα-helixtrans-82.8-29.6176.7-150.7176.7-168.3-174.12.7112.2I305 P306 Q311 I312I305-R308 PolarHBondContact O-N 2.94Å; P306-R308 PolarHBondContact O-N 3.13Å; R308-Q311 PolarHBondContact O-N 3.01Å; R308-I312 WeakPolarHBondContact O-CD1 3.42Å; R308-I312 WeakPolarHBondContact O-CG1 3Å; R308-I312 PolarHBondContact O-N 2.79Å
309F45.8Very low44.5Very low122 Ų122120.6 Ų120.654%0.53561%0.606SS.*Hα-helixtrans-71.8-37.7171.2-86.4-84.1000112.4I305 P306 Q311 I312 H313I305-F309 HydrophobicContact CG2-CD2 3.61Å; I305-F309 HydrophobicContact CG2-CE2 3.58Å; I305-F309 PolarHBondContact O-N 3.45Å; P306-F309 PolarHBondContact O-N 2.57Å; P306-F309 VanDerWaalsContact O-N 3.11Å; F309-Q311 VanDerWaalsContact C-N 3.25Å; F309-Q311 PolarHBondContact O-N 3.47Å; F309-I312 PolarHBondContact O-N 3.14Å; F309-I312 VanDerWaalsContact O-N 3.08Å; F309-H313 PolarHBondContact O-N 3.03Å
310Q44Very low44.2Very low130 Ų130121.1 Ų121.161%0.60761%0.605SS**Hα-helixtrans-53.7-46170.7-138.978.929.700111.1P306 I312 H313 D314P306-Q310 PolarHBondContact O-N 3.01Å; Q310-I312 VanDerWaalsContact C-N 3.28Å; Q310-I312 PolarHBondContact O-N 3.23Å; Q310-H313 WeakPolarHBondContact O-CB 3.32Å; Q310-H313 PolarHBondContact O-N 3.37Å; Q310-H313 VanDerWaalsContact O-N 3.13Å; Q310-D314 PolarHBondContact O-N 3.43Å; Q310-D314 VanDerWaalsContact O-N 3.08Å
311Q46.2Very low43.7Very low131 Ų131126.3 Ų126.361%0.61262%0.619SS**Hα-helixtrans-70.2-20.4-179.6-155.6167.767.300113.8N307 R308 F309 I315N307-Q311 PolarHBondContact O-N 3.37Å; R308-Q311 PolarHBondContact O-N 3.01Å; F309-Q311 VanDerWaalsContact C-N 3.25Å; F309-Q311 PolarHBondContact O-N 3.47Å; Q311-I315 VanDerWaalsContact O-CD1 3.29Å; Q311-I315 WeakPolarHBondContact O-CD1 3.28Å; Q311-I315 VanDerWaalsContact O-CG1 3.31Å; Q311-I315 WeakPolarHBondContact O-CG1 3.32Å
312I50.6Low43.5Very low85 Ų85127.2 Ų127.244%0.43662%0.619SS.*Hα-helixtrans-82.2-34.6171.3-68.3163.8000110.5R308 F309 Q310 I315 N316R308-I312 WeakPolarHBondContact O-CD1 3.42Å; R308-I312 WeakPolarHBondContact O-CG1 3Å; R308-I312 PolarHBondContact O-N 2.79Å; F309-I312 PolarHBondContact O-N 3.14Å; F309-I312 VanDerWaalsContact O-N 3.08Å; Q310-I312 VanDerWaalsContact C-N 3.28Å; Q310-I312 PolarHBondContact O-N 3.23Å; I312-I315 PolarHBondContact O-N 3.37Å; I312-N316 PolarHBondContact O-N 3.19Å
313H44.1Very low43Very low125 Ų125125.2 Ų125.258%0.57962%0.621SS**Hα-helixtrans-62.4-44.6174.3-149.7-80000111.2F309 Q310 I315 N316 E317F309-H313 PolarHBondContact O-N 3.03Å; Q310-H313 WeakPolarHBondContact O-CB 3.32Å; Q310-H313 PolarHBondContact O-N 3.37Å; Q310-H313 VanDerWaalsContact O-N 3.13Å; H313-I315 PolarHBondContact O-N 3.01Å; H313-N316 PolarHBondContact O-N 3.2Å; H313-N316 VanDerWaalsContact O-N 3.11Å; H313-E317 PolarHBondContact O-N 2.88Å
314D44.5Very low42.6Very low102 Ų102119.7 Ų119.755%0.54561%0.613SS.*Hα-helixtrans-62.1-23.4175.9-70.4-10.2000114Q310Q310-D314 PolarHBondContact O-N 3.43Å; Q310-D314 VanDerWaalsContact O-N 3.08Å
315I49.4Very low42.4Very low113 Ų113122.3 Ų122.358%0.57962%0.619SS**Hα-helixtrans-80.2-30.9177.5-70.2167.7000111Q311 I312 H313Q311-I315 VanDerWaalsContact O-CD1 3.29Å; Q311-I315 WeakPolarHBondContact O-CD1 3.28Å; Q311-I315 VanDerWaalsContact O-CG1 3.31Å; Q311-I315 WeakPolarHBondContact O-CG1 3.32Å; I312-I315 PolarHBondContact O-N 3.37Å; H313-I315 PolarHBondContact O-N 3.01Å
316N45.1Very low41.7Very low127 Ų127124.5 Ų124.568%0.67963%0.631SS**Hα-helixtrans-77.8-18.9177.4-82.6-20.5000113.6I312 H313 K318I312-N316 PolarHBondContact O-N 3.19Å; H313-N316 PolarHBondContact O-N 3.2Å; H313-N316 VanDerWaalsContact O-N 3.11Å; N316-K318 VanDerWaalsContact C-N 3.25Å; N316-K318 PolarHBondContact O-N 3.3Å
317E44.4Very low41.1Very low142 Ų142126.7 Ų126.766%0.66464%0.639SS**THydrogen-bonded Turntrans-77.42.5176.5-70.5-156.1151.200115.1H313 P319H313-E317 PolarHBondContact O-N 2.88Å; E317-P319 VanDerWaalsContact O-CD 3.29Å; E317-P319 WeakPolarHBondContact O-CD 3.35Å
318K33.3Very low40.9Very low166 Ų166126.4 Ų126.472%0.72264%0.643SS**  trans-116.581.3175.6-82.5176.2179.5160.10113.2N316 S320N316-K318 VanDerWaalsContact C-N 3.25Å; N316-K318 PolarHBondContact O-N 3.3Å; K318-S320 VanDerWaalsContact C-N 3.27Å; K318-S320 PolarHBondContact O-N 2.9Å
319P34.4Very low40.8Very low129 Ų129122.3 Ų122.384%0.83864%0.643SS**THydrogen-bonded Turntrans-74.373.6177.933.1-36.7000111.5E317E317-P319 VanDerWaalsContact O-CD 3.29Å; E317-P319 WeakPolarHBondContact O-CD 3.35Å
320S37.5Very low40.6Very low85 Ų85121 Ų12159%0.59464%0.641SS**THydrogen-bonded Turntrans-145.9-6.5-175.456.70000117.4K318K318-S320 VanDerWaalsContact C-N 3.27Å; K318-S320 PolarHBondContact O-N 2.9Å
321K39.3Very low40.3Very low187 Ų187121.5 Ų121.581%0.81364%0.641SS**SBendtrans-136.32.6-175.1-68.6-169.3178.5-179.10118.2
322I39Very low39.8Very low122 Ų122122.8 Ų122.863%0.62665%0.651SS**  trans-104.56.8-177.5-54.6177000112.3S324I322-S324 PolarHBondContact O-N 3.3Å
323S35.3Very low39.2Very low89 Ų89124.1 Ų124.162%0.62266%0.658SS**THydrogen-bonded Turntrans-72.65.7-172.856.60000116.6
324S40Very low38.7Very low85 Ų85124.9 Ų124.959%0.59466%0.662SS**THydrogen-bonded Turntrans-104.3-6.6-175.560.40000115.9I322I322-S324 PolarHBondContact O-N 3.3Å
325F38.1Very low38.3Very low183 Ų183127.2 Ų127.280%0.80367%0.674SS**SBendtrans-122.27.2-171.9-73.1-74.4000115.8
326L33.5Very low37.6Very low117 Ų117126.3 Ų126.361%0.61368%0.683SS**SBendtrans-113.2138.1-178.8-68173.9000112.5I330L326-I330 HydrophobicContact CB-CD1 4.46Å
327N34.9Very low37Very low119 Ų119124.2 Ų124.264%0.63668%0.684SS**  trans-52.9147.6-170-99-40.1000114.1S329 I330N327-S329 PolarHBondContact O-N 2.88Å; N327-I330 PolarHBondContact O-N 3.28Å; N327-I330 VanDerWaalsContact O-N 3.08Å
328P37.3Very low36.2Very low108 Ų108122.6 Ų122.670%0.70169%0.687SS**G310 helixtrans-54.7-31.4-176-26.534.8000114.7I330 K331P328-I330 PolarHBondContact O-N 3.46Å; P328-K331 PolarHBondContact O-N 2.89Å
329S40Very low36Very low101 Ų101119.1 Ų119.171%0.70669%0.689SS**G310 helixtrans-65.3-20.2-178.8-45.40000114.5N327N327-S329 PolarHBondContact O-N 2.88Å
330I42.3Very low35.7Very low95 Ų95118.6 Ų118.649%0.48769%0.688SS.*G310 helixtrans-82.6-25.2-176.5-61.7175.3000111.4L326 N327 P328 L332 I333L326-I330 HydrophobicContact CB-CD1 4.46Å; N327-I330 PolarHBondContact O-N 3.28Å; N327-I330 VanDerWaalsContact O-N 3.08Å; P328-I330 PolarHBondContact O-N 3.46Å; I330-L332 PolarHBondContact O-N 3.33Å; I330-I333 PolarHBondContact O-N 3.33Å
331K36.7Very low35.3Very low141 Ų141118.7 Ų118.761%0.61370%0.695SS**THydrogen-bonded Turntrans-68.7-15.1-176.3-76-174.3176.2176.30114.9P328P328-K331 PolarHBondContact O-N 2.89Å
332L35.7Very low34.6Very low157 Ų157116 Ų11682%0.82270%0.7SS**THydrogen-bonded Turntrans-85.8-18.7-178.3-147.475.1000113.8I330I330-L332 PolarHBondContact O-N 3.33Å
333I37.8Very low34.2Very low113 Ų113115.2 Ų115.258%0.57970%0.7SS**THydrogen-bonded Turntrans-93.6-34.6-171.2-60.1176000111.6I330 N335I330-I333 PolarHBondContact O-N 3.33Å; I333-N335 VanDerWaalsContact C-N 3.3Å; I333-N335 PolarHBondContact O-N 2.92Å
334H34.9Very low33.8Very low142 Ų142116.7 Ų116.766%0.65771%0.711SS**THydrogen-bonded Turntrans-73.7-13.7-173.5-159.5-73.6000114.8
335N34.5Very low33.3Very low151 Ų151122.7 Ų122.781%0.80772%0.722SS**THydrogen-bonded Turntrans-98.51.3-175.9-84.412.8000114.9I333I333-N335 VanDerWaalsContact C-N 3.3Å; I333-N335 PolarHBondContact O-N 2.92Å
336A35.5Very low32.8Very low93 Ų93122.9 Ų122.977%0.76973%0.725SS**SBendtrans-113.6-10.6-175.200000115.1
337A33.2Very low32.7Very low84 Ų84125.4 Ų125.469%0.69474%0.736SS**SBendtrans-111.6-12.4-170.100000115.3A339A337-A339 PolarHBondContact O-N 3.2Å
338C27.8Very low32.5Very low108 Ų108125.3 Ų125.373%0.7374%0.742SS**  trans-97.764.3-171.5-61.90000112.7
339A27.7Very low32.4Very low93 Ų93123.9 Ų123.977%0.76973%0.734SS**SBendtrans-149.335.1178.200000114.7A337A337-A339 PolarHBondContact O-N 3.2Å
340S28.4Very low32.4Very low117 Ų117124.8 Ų124.882%0.81873%0.73SS**SBendtrans-177.1157.3158.232.60000112.7
341A28.9Very low32Very low88 Ų88126.2 Ų126.273%0.72774%0.738SS**  trans6467.1165.600000118.3T343A341-T343 PolarHBondContact O-N 2.93Å; A341-T343 VanDerWaalsContact O-N 3.16Å
342S25.1Very low32.2Very low131 Ų131124.3 Ų124.392%0.91674%0.742SS**  trans-61.8108.9153.9-54.30000110.4
343T30.5Very low32.3Very low104 Ų104123.2 Ų123.264%0.63874%0.742SS**  trans-133.5122.8161.449.20000109A341 Y345A341-T343 PolarHBondContact O-N 2.93Å; A341-T343 VanDerWaalsContact O-N 3.16Å; T343-Y345 PolarHBondContact O-N 2.98Å
344S26.8Very low32.2Very low121 Ų121124.9 Ų124.985%0.84675%0.752SS**  trans-82.4102.7-172.254.20000111.3
345Y29.9Very low32.2Very low211 Ų211127.6 Ų127.683%0.82777%0.765SS**  trans-93.295.2162.5-74.1-83000109.2T343 M347T343-Y345 PolarHBondContact O-N 2.98Å; Y345-M347 PolarHBondContact O-N 2.86Å
346Q28.4Very low31.9Very low186 Ų186124 Ų12487%0.86976%0.764SS**  trans-75.3106.1175.3-177.3171.6-15.400109
347M29.8Very low31.8Very low170 Ų170125.8 Ų125.884%0.83777%0.765SS**PPolyproline II helixtrans-66.6138.2172.4-68.4-154.881.100110.2Y345Y345-M347 PolarHBondContact O-N 2.86Å
348P30.7Very low31.8Very low118 Ų118129.9 Ų129.977%0.76678%0.775SS**PPolyproline II helixtrans-67.7136.2174.928.2-33.2000110.4
349S34.8Very low32Very low77 Ų77129.2 Ų129.254%0.53878%0.777SS.*PPolyproline II helixtrans-69.7132.3176.5-179.40000110.6L351 S352S349-L351 PolarHBondContact O-N 3.49Å; S349-S352 PolarHBondContact O-N 3.45Å; S349-S352 PolarHBondContact O-OG 3.02Å
350I40.9Very low32.2Very low121 Ų121133.3 Ų133.362%0.62179%0.785SS**THydrogen-bonded Turntrans-67.4-3.4-177.6-157.7165.9000114.2E266E266-I350 HydrophobicContact CG-CD1 4.14Å; E266-I350 WeakPolarHBondContact OE1-CD1 3.48Å
351L35Very low32.5Very low125 Ų125133.4 Ų133.465%0.65479%0.786SS**THydrogen-bonded Turntrans-99.220.3-179.4-61.5176.6000113.7S349S349-L351 PolarHBondContact O-N 3.49Å
352S40Very low32.6Very low100 Ų100137.1 Ų137.170%0.69979%0.792SS**  trans-99.29.9-179.2-60.20000114.7S349S349-S352 PolarHBondContact O-N 3.45Å; S349-S352 PolarHBondContact O-OG 3.02Å
353V38.8Very low33Very low135 Ų135139.6 Ų139.682%0.81879%0.79SS**  trans-125.768.8-174.7-168.50000110.5
354D35.1Very low33.1Very low148 Ų148141.7 Ų141.779%0.79180%0.797SS**  trans-160.157.2166.6-135.3-0.8000113.5
355Q34.7Very low33.4Very low199 Ų199141 Ų14193%0.9379%0.792SS**  trans-14292.9164.6-70.1-169.919.600109
356G28.4Very low33.6Very low76 Ų76136.2 Ų136.278%0.78479%0.79SS**  trans176.621.8-176.400000116.6
357V32.4Very low33.6Very low130 Ų130134.7 Ų134.779%0.78879%0.788SS**  trans-102.279.2170.6-168.10000108
358D34.3Very low34Very low170 Ų170130.7 Ų130.791%0.90977%0.774SS**  trans174.172.9165.1-92.3-22.2000110.2
359A31.6Very low34.1Very low93 Ų93131.8 Ų131.877%0.76977%0.774SS**  trans-171.755.8165.200000113.7
360L31.3Very low34.1Very low179 Ų179134.4 Ų134.494%0.93779%0.786SS**  trans-131.774161.1-76.3-179.3000110.3
361S34Very low33.7Very low120 Ų120135.5 Ų135.584%0.83979%0.793SS**  trans-121.4127.4153.7-72.70000107.5
362L32.4Very low33.7Very low165 Ų165134.8 Ų134.886%0.86480%0.799SS**  trans-63.2142.1167.4-67.180.8000108.5
363E33.7Very low33.3Very low183 Ų183136.6 Ų136.686%0.85580%0.801SS**  -171.5126112.9-101.7172.2-166.700112
364D31Very low33Very low148 Ų148136.2 Ų136.279%0.79179%0.794SS**  trans22128.5148.8-71.8-22.3000123.5
365S33.1Very low32.6Very low106 Ų106135.3 Ų135.374%0.74179%0.789SS**  107.1142.712374.30000121.3
366S34.5Very low32.5Very low112 Ų112134 Ų13478%0.78378%0.783SS**  trans6685.8160.635.30000119.6
367N28.5Very low32.7Very low154 Ų154134.2 Ų134.282%0.82477%0.772SS**  trans-55.1174.1133.3-131.416000110.9
368P38.7Very low32.4Very low86 Ų86134.1 Ų134.156%0.55877%0.772SS**  cis-144.7-170.33.744-24000116.5
369D31.8Very low32.2Very low141 Ų141130.5 Ų130.575%0.75476%0.76SS**  trans63.7129.2149.4-55.3-30.6000122.5
370V36.1Very low32.1Very low132 Ų132132.4 Ų132.480%0.876%0.762SS**  172.1120107.2159.50000111.4
371D31.7Very low31.9Very low144 Ų144128.5 Ų128.577%0.7775%0.75SS**  trans10.3161.5150.7-65.1-44.9000125.5
372S36.2Very low31.7Very low110 Ų110130.4 Ų130.477%0.76975%0.749SS**  trans90.3144.5148.984.60000116.5
373N31.7Very low31.6Very low138 Ų138128.4 Ų128.474%0.73874%0.743SS**  cis174.3159.5-26.6-115.6-33.9000104.6
374N32.3Very low31.3Very low126 Ų126128.8 Ų128.867%0.67475%0.745SS**  trans71.5119.4167.3-60.8-40000117.1
375N27Very low31.2Very low130 Ų130129 Ų12970%0.69574%0.741SS**  cis91.3147.549.4-76.2-41.5000113.3
376H32.8Very low31Very low171 Ų171131.6 Ų131.679%0.79275%0.745SS**  trans85.8135.9176.2-54.1-59.3000116.9
377S30.9Very low30.7Very low80 Ų80130.6 Ų130.656%0.55974%0.736SS**  cis-172.9143.9-15.6-108.10000109.3
378T27.4Very low30.5Very low128 Ų128129 Ų12979%0.78574%0.737SS**  trans57.7138.4143.864.30000119.1
379S29.8Very low30Very low94 Ų94133 Ų13366%0.65775%0.748SS**  cis-161.8154.936.3-63.80000112.3
380T28.6Very low29.7Very low133 Ų133132 Ų13282%0.81675%0.752SS**  trans48138.5142.455.60000120.4
381S28Very low29.3Very low98 Ų98134.4 Ų134.469%0.68575%0.752SS**  cis-173.2136.3-1.649.10000105
382I29.3Very low29Very low159 Ų159138.9 Ų138.982%0.81576%0.758SS**  -171.9135.282-82.1156.8000104.9
383V29.7Very low28.5Very low123 Ų123144.5 Ų144.575%0.74576%0.764SS**  trans-114.5125.2175.6170.60000108.5H385V383-H385 HydrophobicContact CG1-CB 3.94Å
384E28.3Very low28.2Very low192 Ų192149 Ų14990%0.89777%0.771SS**  trans-121.9115156.7-162.8164.8-135.100107.1
385H29.7Very low27.7Very low153 Ų153147.8 Ų147.871%0.70877%0.772SS**  trans-109.2110-164-154.6-52.4000108.4V383V383-H385 HydrophobicContact CG1-CB 3.94Å
386I28.7Very low27.6Very low159 Ų159146.9 Ų146.982%0.81577%0.771SS**PPolyproline II helixtrans-84.7129.2168.1-63.2-179.4000108
387P27Very low27.2Very low92 Ų92147.3 Ų147.360%0.59777%0.77SS**PPolyproline II helixtrans-89.3161.4-173.7-2.322.2000113.2
388S25.6Very low26.9Very low121 Ų121151.8 Ų151.885%0.84678%0.78SS**PPolyproline II helixtrans-71.4126.5165.3-48.80000111.1
389E27.3Very low26.9Very low169 Ų169151.4 Ų151.479%0.7978%0.778SS**  trans-132112.8159.3-85-164.716500111.1K391E389-K391 PolarHBondContact O-N 2.88Å
390S25.5Very low26.7Very low120 Ų120156 Ų15684%0.83979%0.789SS**  trans-68.694171.1-56.30000110.4R392S390-R392 VanDerWaalsContact C-N 3.34Å; S390-R392 PolarHBondContact O-N 3.22Å
391K28.6Very low26.7Very low183 Ų183153.9 Ų153.980%0.79678%0.779SS**  trans-66.598.7162.8-80.1-174.8177.6177.10109.3E389 Y393E389-K391 PolarHBondContact O-N 2.88Å; K391-Y393 PolarHBondContact O-N 3.44Å
392R24.6Very low26.6Very low237 Ų237156.5 Ų156.589%0.89479%0.786SS**  trans-45.1105160.6-67.5175177.7172.8-2.1108.4S390 R394S390-R392 VanDerWaalsContact C-N 3.34Å; S390-R392 PolarHBondContact O-N 3.22Å; R392-R394 VanDerWaalsContact C-N 3.29Å; R392-R394 PolarHBondContact O-N 3.24Å
393Y26.2Very low26.6Very low229 Ų229153.4 Ų153.490%0.89878%0.778SS**  trans-63.2103151.5-98.9-92.1000105.8K391 S395K391-Y393 PolarHBondContact O-N 3.44Å; Y393-S395 PolarHBondContact O-N 3.48Å
394R24.4Very low26.6Very low232 Ų232154.5 Ų154.588%0.87578%0.78SS**  trans-61113172.5-162.6-177.3-160.1-167.67.3105.7R392 V396R392-R394 VanDerWaalsContact C-N 3.29Å; R392-R394 PolarHBondContact O-N 3.24Å; R394-V396 PolarHBondContact O-N 2.97Å
395S23.3Very low26.6Very low100 Ų100153.6 Ų153.670%0.69978%0.78SS**  trans-55.1106.2-174.7-176.10000109.7Y393 K397Y393-S395 PolarHBondContact O-N 3.48Å; S395-K397 VanDerWaalsContact C-N 3.31Å; S395-K397 PolarHBondContact O-N 3.31Å; S395-K397 VanDerWaalsContact O-N 3.1Å
396V24.8Very low26.7Very low112 Ų112155.2 Ų155.268%0.67978%0.784SS**  trans-70.7100.8158.1178.40000104.3R394 F398R394-V396 PolarHBondContact O-N 2.97Å; V396-F398 HydrophobicContact CG1-CD2 3.98Å; V396-F398 HydrophobicContact CG1-CE2 3.8Å; V396-F398 PolarHBondContact O-N 2.97Å
397K23.1Very low26.6Very low179 Ų179156.8 Ų156.878%0.77879%0.785SS**  trans-64.189.4170.4-76.9-174.9175.6-178.40108.2S395 T399S395-K397 VanDerWaalsContact C-N 3.31Å; S395-K397 PolarHBondContact O-N 3.31Å; S395-K397 VanDerWaalsContact O-N 3.1Å; K397-T399 PolarHBondContact O-N 3.42Å
398F25.9Very low26.8Very low174 Ų174160 Ų16076%0.76380%0.796SS**  trans-67.4107.9148.1-78-81000106.4V396 E400V396-F398 HydrophobicContact CG1-CD2 3.98Å; V396-F398 HydrophobicContact CG1-CE2 3.8Å; V396-F398 PolarHBondContact O-N 2.97Å; F398-E400 PolarHBondContact O-N 3Å
399T26.2Very low27Very low120 Ų120161.3 Ų161.374%0.73679%0.794SS**  trans-73.376168.648.10000108.6K397 S401K397-T399 PolarHBondContact O-N 3.42Å; T399-S401 PolarHBondContact O-N 3.12Å
400E26Very low27.1Very low191 Ų191162.1 Ų162.189%0.89380%0.797SS**  trans-7086.5159.9-81.6-169.3133.400108.4F398F398-E400 PolarHBondContact O-N 3Å
401S28Very low27.2Very low88 Ų88164 Ų16462%0.61580%0.798SS**  trans-101.8100.8168.855.20000109.9T399T399-S401 PolarHBondContact O-N 3.12Å
402N27Very low27.2Very low154 Ų154159.7 Ų159.782%0.82479%0.791SS**  trans71.5140.7156.5-56.2-31.3000117.7
403S30Very low27.3Very low93 Ų93153.6 Ų153.665%0.6578%0.783SS**  cis-170.8147.6-9.447.30000112
404N29Very low27.5Very low146 Ų146149.3 Ų149.378%0.78178%0.781SS**  trans59.178.5149.4-61.2-31.5000119.1K406N404-K406 PolarHBondContact O-N 3.17Å
405I27.7Very low27.5Very low174 Ų174145.7 Ų145.789%0.89278%0.778SS**  trans-78100.6145.6-67.4171.8000107.8
406K32Very low27.9Very low186 Ų186146.1 Ų146.181%0.80978%0.778SS**  trans-86120.9157.9-90-172173.5-177.10108.4N404 I408N404-K406 PolarHBondContact O-N 3.17Å; K406-I408 PolarHBondContact O-N 3.39Å
407K26.6Very low28Very low192 Ų192146.5 Ų146.584%0.83578%0.78SS**  trans-57.6129.1163.4-65177.8174.7-175.20109.1
408I30.2Very low28.1Very low160 Ų160144.7 Ų144.782%0.82178%0.779SS**  trans-135.4129.9151.5-64.4-174.9000105.7K406K406-I408 PolarHBondContact O-N 3.39Å
409D31.4Very low28.4Very low149 Ų149144.4 Ų144.480%0.79778%0.784SS**  trans-71.1168.2-174.9-74.8-63.6000113.3D411D409-D411 PolarHBondContact O-N 3.24Å
410Q28.1Very low28.3Very low185 Ų185143.2 Ų143.286%0.86478%0.781SS**  trans-62129.2170.5-61.4165.5-5.300109.3
411D29Very low28.4Very low160 Ų160140.5 Ų140.586%0.85677%0.772SS**  -159.1163.5125.6-120.4-33.9000115.5D409D409-D411 PolarHBondContact O-N 3.24Å
412S27.7Very low28.4Very low93 Ų93145.7 Ų145.765%0.6578%0.778SS**  trans-53.5167.9-164.2750000121.5
413C27.4Very low28.4Very low108 Ų108146.2 Ų146.273%0.7377%0.773SS**  trans92103.5143.4-68.40000122.8
414V30.5Very low28.5Very low140 Ų140146.5 Ų146.585%0.84878%0.775SS**  65.7117.6119.6179.10000120.5
415L22.9Very low28.3Very low156 Ų156146.8 Ų146.882%0.81778%0.777SS**  trans-67-170.8165.3-61.5167.1000112.9
416P31.7Very low28.7Very low109 Ų109144.7 Ų144.771%0.70877%0.772SS**  cis-140.9-165.4-3.921.37.6000115.6
417V27.7Very low28.7Very low119 Ų119145.2 Ų145.272%0.72178%0.775SS**  trans105.6114.4143.9-173.40000119.8
418D25.7Very low28.6Very low142 Ų142147.2 Ų147.276%0.75978%0.777SS**  trans31.3138.2144.6-55.1-25.6000123.5
419I30.7Very low28.6Very low167 Ų167148 Ų14886%0.85678%0.782SS**  -171144.599.4-92.7158.4000112.2
420S25.6Very low28.6Very low96 Ų96145.5 Ų145.567%0.67177%0.774SS**  trans-78.2153.7178.8-580000114
421N28.4Very low28.7Very low133 Ų133143.9 Ų143.971%0.71177%0.77SS**  173.1129.8118.1-94.5-55.6000117.8
422R28.1Very low29Very low197 Ų197141.9 Ų141.974%0.74377%0.766SS**  64.6115.3129.4-69.6173.1179.3-158.7-0.7124.5
423K26.9Very low29.1Very low166 Ų166144.2 Ų144.272%0.72277%0.77SS**  95.8133.3111.2-79.5-178.4175.2-173.30122.6
424S30.3Very low29.3Very low98 Ų98150.7 Ų150.769%0.68578%0.779SS**  trans71.5152139.362.30000119.3
425N26.7Very low29.4Very low152 Ų152148.6 Ų148.681%0.81378%0.776SS**  cis-172131.2-13.9-104.9-18.9000109.2
426T34.9Very low29.7Very low131 Ų131152.3 Ų152.380%0.80478%0.779SS**  trans-155.6110159.226.20000114.6
427K32Very low29.9Very low197 Ų197152.3 Ų152.386%0.85778%0.782SS**  33.4116.4128.8-56.3172.5-177.7174.40118
428R25.6Very low30.3Very low234 Ų234153.1 Ų153.188%0.88378%0.782SS**  cis90.9112.648.7-172.2-168.3-159.8-164.37.9114.3
429L28.6Very low30.6Very low176 Ų176151.7 Ų151.792%0.92178%0.784SS**  trans-159.4131.4159.5-105.7163.7000110.8
430P31.2Very low31Very low96 Ų96148.8 Ų148.862%0.62378%0.776SS**  trans-136.9147-178.539.4-23.7000118.6
431L31.1Very low31.3Very low152 Ų152150.1 Ų150.180%0.79678%0.78SS**  trans62.5152.5149.4-65.2173.7000119.1
432P34.9Very low31.5Very low118 Ų118149.8 Ų149.877%0.76678%0.782SS**  -134.7159.759.620.25.7000115.3
433I31.3Very low31.6Very low142 Ų142146 Ų14673%0.72878%0.782SS**  86.8132.654.7-60.3172.5000116.2
434R30Very low32Very low244 Ų244143.4 Ų143.492%0.92178%0.78SS**  trans89.1145168.2-117.5164.6173.4134.2-2.5116.3
435A33.3Very low32.2Very low96 Ų96144.6 Ų144.679%0.79378%0.783SS**  cis-141.5-177.319.400000116.8
436R29.2Very low32.5Very low233 Ų233142.5 Ų142.588%0.87978%0.776SS**  trans-120.8151.8-170-83.5171145175.8-7.1113
437S36.7Very low32.5Very low110 Ų110143 Ų14377%0.76977%0.774SS**  trans-169.7109.6142.749.90000109.5
438N35.2Very low32.5Very low136 Ų136138.2 Ų138.273%0.72777%0.765SS**  62.4105.283.2-64.84.2000112.8
439S31.8Very low33Very low112 Ų112132.2 Ų132.278%0.78376%0.759SS**  88.2158.171.5-70.40000113.7
440P38.8Very low33.2Very low106 Ų106128.2 Ų128.269%0.68875%0.745SS**  cis-146.7-179.3-30.338-16.9000117.1
441T31.8Very low33.3Very low124 Ų124134.4 Ų134.476%0.76176%0.758SS**  trans56.4126.8146.143.80000125.3
442T33.1Very low33.5Very low125 Ų125132.9 Ų132.977%0.76776%0.757SS**  177.4121.8112.631.30000109.9
443T31.3Very low33.4Very low119 Ų119132.2 Ų132.273%0.7376%0.756SS**  48.8137.598.261.60000114.9
444T34.7Very low33.3Very low111 Ų111130.7 Ų130.768%0.68176%0.758SS**  cis-172.6149.633.2-17.90000111.2
445T33.2Very low33.5Very low123 Ų123127.3 Ų127.376%0.75576%0.756SS**  trans50.915314846.30000121.3
446T34.1Very low33.3Very low108 Ų108127.3 Ų127.366%0.66375%0.75SS**  cis-167.7168.518.4-3.80000111.2
447N34.1Very low33.4Very low142 Ų142125.3 Ų125.376%0.75975%0.751SS**  trans72.2151.4155.4-61.8-6.4000120
448S33.5Very low33Very low95 Ų95124.9 Ų124.966%0.66475%0.747SS**  cis-178.5157.5-38.348.10000109.8
449S35.7Very low32.9Very low109 Ų109124.5 Ų124.576%0.76276%0.755SS**  trans67.5128.9176.271.40000116.3
450S32Very low32.9Very low91 Ų91126.7 Ų126.764%0.63675%0.753SS**  cis88.8108.626.780.30000115.6
451Y33Very low32.4Very low226 Ų226128.7 Ų128.789%0.88675%0.753SS**  171137.3121.1-92.3-65.9000112.2
452P35.2Very low32.3Very low120 Ų120131.5 Ų131.578%0.77976%0.755SS**  trans-123.8145171.338.8-27.1000114.6
453S34.3Very low31.9Very low105 Ų105135.4 Ų135.473%0.73476%0.757SS**  trans175.4116.2158.550.40000108.8
454S28.6Very low32Very low110 Ų110137.3 Ų137.377%0.76976%0.762SS**  57.411273.574.60000115.3
455I34.7Very low31.6Very low173 Ų173141.6 Ų141.689%0.88777%0.771SS**  trans-157.1142.3144.2-101.6152.5000108.8
456S28.6Very low31.5Very low96 Ų96141 Ų14167%0.67177%0.772SS**  trans-85.4161.9177.549.70000112.4
457E31.2Very low31.1Very low191 Ų191145.5 Ų145.589%0.89378%0.782SS**  -168157.7116-109.2172.3-174.200114.5
458S27.8Very low30.9Very low100 Ų100143.8 Ų143.870%0.69978%0.781SS**  trans-105.8155.5-173.255.50000112.4
459S34.4Very low31Very low128 Ų128144.5 Ų144.590%0.89578%0.784SS**  trans-149.3137.7150.1-84.80000111.8
460Q30Very low30.7Very low158 Ų158146.8 Ų146.874%0.73879%0.786SS**  trans-106174.8-175.3-55.8-179.7-19.900111.7
461Q28.4Very low30.4Very low148 Ų148151 Ų15169%0.69279%0.793SS**  trans72.3137.6154-69.7167.326.200115.4
462K29.8Very low30.3Very low184 Ų184145.1 Ų145.180%0.879%0.785SS**  cis-161.1160.141.9-127.7148.5-167.8175.50113.2
463Y25.9Very low30.1Very low206 Ų206146.2 Ų146.281%0.80878%0.784SS**  trans-40.2155.1165.9-80.7-116.4000116.5
464I32.9Very low29.8Very low160 Ų160146.5 Ų146.582%0.82179%0.786SS**  -160139.2108.8-94.4149.9000111.3
465K25.5Very low29.9Very low201 Ų201147 Ų14787%0.87479%0.79SS**  trans-105.9136.4170.3-103176.9174.1171.30108.4
466S31.1Very low29.6Very low111 Ų111142.3 Ų142.378%0.77678%0.784SS**  trans-150.1107.5161.343.40000113.7
467K27Very low29.8Very low201 Ų201147.5 Ų147.587%0.87480%0.798SS**  trans-58.1160.9146.5-78.8179.8175.3-176.10109.1
468S28.9Very low29.6Very low107 Ų107143.8 Ų143.875%0.74879%0.788SS**  cis-168.1-142.2-143.30000109.7
469P35.2Very low29.6Very low110 Ų110149.6 Ų149.671%0.71480%0.801SS**  -117.2-158.9-12739-17.1000114.2
470L29.5Very low29.3Very low156 Ų156151.6 Ų151.682%0.81780%0.796SS**  trans112.7148.9173.1-65.3160.2000112.8
471K26.5Very low29.2Very low181 Ų181152.1 Ų152.179%0.78780%0.798SS**  cis-170.9166.1-34.1-138.9-175.7-171.41780107.1
472S31.2Very low29Very low101 Ų101153.7 Ų153.771%0.70680%0.803SS**  trans66.7151.2161.856.20000119
473N30.2Very low29Very low144 Ų144150.5 Ų150.577%0.7780%0.804SS**  cis-160.8158.9-10.3-107.8-1.7000111.7
474S27.7Very low28.9Very low111 Ų111150 Ų15078%0.77681%0.806SS**  trans40.5133.714963.10000120.6
475S32.3Very low28.5Very low121 Ų121150.7 Ų150.785%0.84681%0.807SS**  cis-168.5175.722.953.80000109.4
476G27.7Very low28.4Very low73 Ų73147.9 Ų147.975%0.75380%0.802SS**  cis138.385-8.400000114.7
477Q33.7Very low28.2Very low206 Ų206148.2 Ų148.296%0.96380%0.798SS**  trans-138.9145.9167.6-113.3-178.118.300112.1
478T25.1Very low28.1Very low113 Ų113142.5 Ų142.569%0.69378%0.784SS**  trans-114.9137.4-169.347.30000112.4
479F29.5Very low28Very low222 Ų222144.1 Ų144.197%0.97479%0.789SS**  trans-138.4148.7150-105.4-84.6000110.6
480H28.3Very low27.5Very low170 Ų170146.4 Ų146.479%0.78779%0.79SS**  trans-98.3167.1-158.4-84-105.2000115.2
481Q26Very low27.3Very low168 Ų168147.4 Ų147.479%0.78579%0.791SS**  trans8595.8145.3-118.5-179.64.200118.4
482K26.2Very low27.4Very low181 Ų181146.2 Ų146.279%0.78779%0.791SS**  -179.9155.885.6-91.7176.3-177.4174.70113
483S28.8Very low27.2Very low117 Ų117146.4 Ų146.482%0.81879%0.79SS**  trans56.892.4159.8-55.40000119.1
484K23.7Very low27Very low197 Ų197145.4 Ų145.486%0.85779%0.794SS**  trans-78.7130.8159.4-66.6175.9176.5179.40110
485M24.2Very low27.1Very low173 Ų173148.8 Ų148.885%0.85280%0.798SS**  trans-125.3104.5148.6-151.3179.390.100107.1V487M485-V487 HydrophobicContact CE-CG2 4.16Å
486L24.4Very low26.9Very low143 Ų143153.9 Ų153.975%0.74980%0.799SS**  trans-106.291.4-169.4-155162.2000107.5S488L486-S488 PolarHBondContact O-N 3.14Å
487V26.3Very low27.1Very low117 Ų117160.5 Ų160.571%0.70981%0.807SS**  trans-75.2106.1172.9177.80000107.5M485 V489M485-V487 HydrophobicContact CE-CG2 4.16Å; V487-V489 PolarHBondContact O-N 3.06Å
488S25.7Very low26.9Very low82 Ų82158 Ų15857%0.57380%0.799SS**  trans-69.4118171.550.20000109.7L486 Q490L486-S488 PolarHBondContact O-N 3.14Å; S488-Q490 PolarHBondContact O-N 2.8Å
489V25.6Very low27Very low140 Ų140160.1 Ų160.185%0.84881%0.805SS**  trans-67100.6164.1179.10000107.2V487V487-V489 PolarHBondContact O-N 3.06Å
490Q26Very low27.1Very low158 Ų158155.1 Ų155.174%0.73880%0.795SS**  trans-94.4112.2174.4-170.681.427.700107.8S488 I492S488-Q490 PolarHBondContact O-N 2.8Å; Q490-I492 PolarHBondContact O-N 3.25Å
491E25.3Very low27.1Very low178 Ų178154.6 Ų154.683%0.83280%0.798SS**PPolyproline II helixtrans-58.8132.2173.4-65.1172.4130.200110.3
492I28.1Very low27.1Very low156 Ų156154.7 Ų154.780%0.880%0.804SS**PPolyproline II helixtrans-96.7119.4174.1-58.3176.4000108Q490Q490-I492 PolarHBondContact O-N 3.25Å
493P26.4Very low27.3Very low105 Ų105150.7 Ų150.768%0.68280%0.799SS**PPolyproline II helixtrans-75.4143.4178.131.1-33.8000111.3E495P493-E495 PolarHBondContact O-N 3.28Å
494S26.5Very low27.4Very low123 Ų123155.6 Ų155.686%0.8680%0.801SS**  trans-70.1105.5174.5-49.90000111.5R496S494-R496 PolarHBondContact O-N 2.9Å
495E29.9Very low27.8Very low182 Ų182152 Ų15285%0.8580%0.8SS**  trans-75.5115.5170.7-71.4-168.1153.500110.6P493P493-E495 PolarHBondContact O-N 3.28Å
496R28.6Very low27.9Very low228 Ų228149.8 Ų149.886%0.8680%0.796SS**  trans-73.6129.5169.3-78179.8171.3179.5-3.3109.6S494 I498S494-R496 PolarHBondContact O-N 2.9Å; R496-I498 PolarHBondContact O-N 3.29Å
497F30.4Very low28.2Very low211 Ų211148.9 Ų148.993%0.92580%0.796SS**  trans-62123.1160.8-77.3-94.6000109.9
498I30Very low28.4Very low155 Ų155148.5 Ų148.580%0.79580%0.799SS**  trans-111.7116.8168.8-60.7177.2000106.9R496R496-I498 PolarHBondContact O-N 3.29Å
499L27.8Very low28.5Very low157 Ų157154.2 Ų154.282%0.82281%0.814SS**PPolyproline II helixtrans-72.4137.7169.3-74.2160.1000109.1
500P31.2Very low28.9Very low117 Ų117152.4 Ų152.476%0.7681%0.805SS**PPolyproline II helixtrans-78122.5175.130.2-32000110.9
501D29.3Very low29Very low159 Ų159151.3 Ų151.385%0.8581%0.805SS**PPolyproline II helixtrans-69.2134.9173.8-80.2-44.7000111.9
502N26Very low29.2Very low170 Ų170149.8 Ų149.891%0.90980%0.802SS**  trans-82.1114.1173.1-85.9-32.3000110.8
503S30.3Very low29.4Very low97 Ų97147.4 Ų147.468%0.67880%0.799SS**  trans-138.3101.6169.765.90000113.7
504Y29.2Very low29.5Very low220 Ų220147.8 Ų147.886%0.86381%0.805SS**  trans39.5114.6147.9-54-83.3000120.4
505S31.8Very low29.6Very low120 Ų120148.1 Ų148.184%0.83980%0.803SS**  -170.6135.9103.129.80000114.1
506T27Very low29.7Very low127 Ų127149.1 Ų149.178%0.77981%0.805SS**  trans-41.7150.4166.548.20000114.3
507V30.3Very low29.8Very low124 Ų124144 Ų14475%0.75280%0.799SS**  -167.7141.673.6155.90000112.9
508S31.7Very low29.7Very low110 Ų110142.2 Ų142.277%0.76980%0.799SS**  trans54.6108.5158.469.80000123.5
509F27.3Very low29.6Very low202 Ų202141.3 Ų141.389%0.88680%0.795SS**  trans-69.3173.4146.7-79.2-71.2000111.6
510P33.5Very low29.7Very low102 Ų102139.2 Ų139.266%0.66279%0.794SS**  cis-157.8-174.540.746.5-23.8000121.7
511N28.6Very low29.3Very low135 Ų135142.3 Ų142.372%0.72280%0.8SS**  trans8393.4156-63.8-12.3000120.5
512N29.8Very low29.3Very low146 Ų146140.4 Ų140.478%0.78180%0.795SS**  159.2144.996.7-89.4-13.3000115
513S31.2Very low29.3Very low106 Ų106138.2 Ų138.274%0.74179%0.787SS**  trans64.6100.4159.151.80000121.8
514S30.1Very low29.1Very low113 Ų113139.7 Ų139.779%0.7979%0.792SS**  trans71.8134.4144.667.80000120.6
515P27.1Very low28.8Very low129 Ų129135.1 Ų135.184%0.83879%0.786SS**PPolyproline II helixtrans-86.4134-177.634.6-33.1000112.1
516K31.7Very low28.5Very low203 Ų203138.1 Ų138.188%0.88378%0.784SS**PPolyproline II helixtrans-91.8132.2163-73.8-176.9176.4179.40109.5
517T31.7Very low28.5Very low120 Ų120137.6 Ų137.674%0.73678%0.783SS**PPolyproline II helixtrans-62.8144.9-179.538.30000111.9D519T517-D519 PolarHBondContact O-N 3Å
518L29.2Very low28.3Very low175 Ų175142.2 Ų142.292%0.91679%0.787SS**  trans-91.943.4-175.8-131.7152.3000111.2
519D27.3Very low28.2Very low135 Ų135142.4 Ų142.472%0.72279%0.788SS**  trans-105.395.1178.5-80.7-45.1000110.1T517T517-D519 PolarHBondContact O-N 3Å
520S28.6Very low28.4Very low113 Ų113139.5 Ų139.579%0.7978%0.777SS**  trans157.661.9156470000112.9
521M24.6Very low28.1Very low182 Ų182140 Ų14090%0.89778%0.783SS**  trans-101.765.2167.5-148.5167.7-150.600111.6V523M521-V523 PolarHBondContact O-N 3.25Å
522T28.9Very low28.2Very low120 Ų120141 Ų14174%0.73679%0.787SS**  trans-73.8106.317347.80000110.5V524T522-V524 PolarHBondContact O-N 3.38Å
523V25.7Very low28.2Very low124 Ų124141.2 Ų141.275%0.75278%0.782SS**  trans-71.1107.9171.8178.60000109.4M521 V525M521-V523 PolarHBondContact O-N 3.25Å; V523-V525 HydrophobicContact CG1-CG2 4.34Å; V523-V525 PolarHBondContact O-N 3.33Å; V523-V525 VanDerWaalsContact O-N 3.07Å
524V25.3Very low28.1Very low127 Ų127141.9 Ų141.977%0.7779%0.786SS**  trans-78.192.5178.1-178.70000109.8T522 K526T522-V524 PolarHBondContact O-N 3.38Å; V524-K526 PolarHBondContact O-N 2.86Å
525V24.6Very low28Very low124 Ų124141.9 Ų141.975%0.75279%0.785SS**  trans-72.8106.3168.6-177.80000108.6V523 P527V523-V525 HydrophobicContact CG1-CG2 4.34Å; V523-V525 PolarHBondContact O-N 3.33Å; V523-V525 VanDerWaalsContact O-N 3.07Å; V525-P527 WeakPolarHBondContact O-CD 3.46Å
526K23.9Very low28.1Very low184 Ų184145.5 Ų145.580%0.878%0.783SS**PPolyproline II helixtrans-76.4116.8-179.2-168173.3-174174.70109.6V524 R528V524-K526 PolarHBondContact O-N 2.86Å; K526-R528 PolarHBondContact O-N 3.28Å
527P28.3Very low28.2Very low116 Ų116141.3 Ų141.375%0.75377%0.774SS**PPolyproline II helixtrans-65131.517926.1-33.1000109.9V525 S529V525-P527 WeakPolarHBondContact O-CD 3.46Å; P527-S529 PolarHBondContact O-N 3.29Å
528R26.1Very low28.4Very low221 Ų221137.1 Ų137.183%0.83475%0.749SS**PPolyproline II helixtrans-66.5118.4174.5-102.3-176.3166.2101.2-4.6109K526 H530K526-R528 PolarHBondContact O-N 3.28Å; R528-H530 PolarHBondContact O-CD2 3.41Å; R528-H530 PolarHBondContact O-N 3.35Å
529S28.3Very low29Very low113 Ų113138.3 Ų138.379%0.7975%0.747SS**  trans-70.893.5174.254.10000110.9P527 S531P527-S529 PolarHBondContact O-N 3.29Å; S529-S531 VanDerWaalsContact C-N 3.29Å; S529-S531 PolarHBondContact O-N 3.3Å
530H31.5Very low30.1Very low142 Ų142134 Ų13466%0.65772%0.723SS**  trans-78.180.4170.8-79.2-90000110.8R528 L532R528-H530 PolarHBondContact O-CD2 3.41Å; R528-H530 PolarHBondContact O-N 3.35Å; H530-L532 PolarHBondContact O-N 2.96Å
531S28.2Very low31.2Very low111 Ų111131.2 Ų131.278%0.77670%0.704SS**  trans-73.355.1174.6177.20000112.4S529S529-S531 VanDerWaalsContact C-N 3.29Å; S529-S531 PolarHBondContact O-N 3.3Å
532L29.6Very low32.7Very low156 Ų156128.3 Ų128.382%0.81770%0.697SS**  trans-150.364.5177.5-73.7-178000112.9H530H530-L532 PolarHBondContact O-N 2.96Å
533F29.8Very low33.8Very low152 Ų152127.4 Ų127.467%0.66769%0.688SS**  trans-128.182.4163.6-76.3-73.8000110.9Y229Y229-F533 HydrophobicContact CE2-CD1 4.3Å; Y229-F533 HydrophobicContact CE2-CE1 4.22Å
534S29.6Very low35Very low119 Ų119125.5 Ų125.583%0.83267%0.671SS**  trans-72.7132.4162-1730000108.7Y536S534-Y536 PolarHBondContact O-N 2.67Å
535C28.1Very low36.4Very low113 Ų113122.9 Ų122.976%0.76466%0.655SS**  trans-65.3118.4-172.6-66.10000111.8
536Y30.2Very low38Very low206 Ų206122.5 Ų122.581%0.80864%0.644SS**  trans-13977.2166.9-150.5-88.7000110.7S534 P538S534-Y536 PolarHBondContact O-N 2.67Å; Y536-P538 VanDerWaalsContact O-CD 3.22Å; Y536-P538 WeakPolarHBondContact O-CD 3.24Å
537V33Very low39.7Very low114 Ų114115.1 Ų115.169%0.69162%0.621SS**  trans-73113.2167.8179.30000107.6K539V537-K539 PolarHBondContact O-N 3.16Å; V537-K539 VanDerWaalsContact O-N 3.14Å
538P36.2Very low41.2Very low33 Ų33111.6 Ų111.621%0.21460%0.595CS.*  trans-75.5110.5179.9-8.726.2000108.6Y536 I540Y536-P538 VanDerWaalsContact O-CD 3.22Å; Y536-P538 WeakPolarHBondContact O-CD 3.24Å; P538-I540 PolarHBondContact O-N 3.28Å; P538-I540 VanDerWaalsContact O-N 3.13Å
539K40.7Very low43.2Very low200 Ų200105.4 Ų105.487%0.8758%0.577SS**  trans-63.6113.9171.4-62-176.2-179.2-176.10108.7V537V537-K539 PolarHBondContact O-N 3.16Å; V537-K539 VanDerWaalsContact O-N 3.14Å
540I50.7Low44.8Very low43 Ų43107.9 Ų107.922%0.22157%0.57CS.*  trans-81134.1159.3-71.3178.5000105.8K222 P538 E544 V545K222-I540 HydrophobicContact CD-CD1 4.39Å; P538-I540 PolarHBondContact O-N 3.28Å; P538-I540 VanDerWaalsContact O-N 3.13Å; I540-E544 WeakPolarHBondContact CA-OE2 3.3Å; I540-E544 HydrophobicContact CG2-CB 3.73Å; I540-E544 WeakPolarHBondContact CG2-OE2 3.4Å; I540-V545 HydrophobicContact CG2-CG2 3.65Å
541S52Low46Very low56 Ų56104.9 Ų104.939%0.39256%0.556SS.*  trans-82.3152.2179.948.10000111.3N543 E544 V545S541-N543 WeakPolarHBondContact CB-OD1 3.48Å; S541-N543 PolarHBondContact O-N 3.09Å; S541-N543 PolarHBondContact OG-OD1 3.03Å; S541-E544 PolarHBondContact N-OE2 3.28Å; S541-E544 WeakPolarHBondContact O-CB 3.48Å; S541-E544 PolarHBondContact O-N 3.42Å; S541-E544 WeakPolarHBondContact OG-CG 3.49Å; S541-E544 PolarHBondContact OG-OE2 3.4Å; S541-V545 PolarHBondContact O-N 3.19Å
542T55.9Low47.6Very low121 Ų121101.4 Ų101.474%0.74253%0.53SS*.Hα-helixtrans-57.1-36.7-173.346.20000112.9E544 V545 E546T542-E544 VanDerWaalsContact C-N 3.32Å; T542-E544 PolarHBondContact O-N 2.96Å; T542-V545 PolarHBondContact O-N 2.78Å; T542-E546 WeakPolarHBondContact O-CB 3.27Å; T542-E546 PolarHBondContact O-N 3.25Å
543N52.2Low49.4Very low101 Ų10198.4 Ų98.454%0.5452%0.515SS..Hα-helixtrans-64-28.1173.865.2-25.5000114.3S541 G547S541-N543 WeakPolarHBondContact CB-OD1 3.48Å; S541-N543 PolarHBondContact O-N 3.09Å; S541-N543 PolarHBondContact OG-OD1 3.03Å; N543-G547 PolarHBondContact O-N 3.28Å
544E50.4Low51.3Low84 Ų8493.9 Ų93.939%0.39350%0.502SS..Hα-helixtrans-72.4-43.2173.3-65.5178.7130.800110I540 S541 T542 G547 I548I540-E544 WeakPolarHBondContact CA-OE2 3.3Å; I540-E544 HydrophobicContact CG2-CB 3.73Å; I540-E544 WeakPolarHBondContact CG2-OE2 3.4Å; S541-E544 PolarHBondContact N-OE2 3.28Å; S541-E544 WeakPolarHBondContact O-CB 3.48Å; S541-E544 PolarHBondContact O-N 3.42Å; S541-E544 WeakPolarHBondContact OG-CG 3.49Å; S541-E544 PolarHBondContact OG-OE2 3.4Å; T542-E544 VanDerWaalsContact C-N 3.32Å; T542-E544 PolarHBondContact O-N 2.96Å; E544-G547 PolarHBondContact O-N 3.25Å; E544-I548 WeakPolarHBondContact O-CD1 3.23Å; E544-I548 VanDerWaalsContact O-CG1 3.25Å; E544-I548 WeakPolarHBondContact O-CG1 3.5Å; E544-I548 PolarHBondContact O-N 3.14Å
545V54.9Low52.6Low72 Ų7291.3 Ų91.344%0.43648%0.478SS..Hα-helixtrans-62-48.1175.2-173.50000110.7I540 S541 T542 G547 I548 I549I540-V545 HydrophobicContact CG2-CG2 3.65Å; S541-V545 PolarHBondContact O-N 3.19Å; T542-V545 PolarHBondContact O-N 2.78Å; V545-G547 VanDerWaalsContact C-N 3.33Å; V545-G547 PolarHBondContact O-N 2.74Å; V545-I548 WeakPolarHBondContact O-CB 3.48Å; V545-I548 PolarHBondContact O-N 3.04Å; V545-I548 VanDerWaalsContact O-N 3.16Å; V545-I549 HydrophobicContact CG1-CD1 4.02Å; V545-I549 WeakPolarHBondContact O-CG1 3.36Å; V545-I549 PolarHBondContact O-N 3.43Å
546E58.1Low54.1Low115 Ų11591.9 Ų91.954%0.53747%0.471SS..Hα-helixtrans-67.6-32179.5-171.4175.5-172.900112.7T542 R550T542-E546 WeakPolarHBondContact O-CB 3.27Å; T542-E546 PolarHBondContact O-N 3.25Å; E546-R550 WeakPolarHBondContact O-CG 3.37Å; E546-R550 PolarHBondContact O-N 3.08Å
547G59.7Low55.4Low29 Ų2986.4 Ų86.430%0.29946%0.456SS..Hα-helixtrans-65.6-39.3169.900000112.8N543 E544 V545 H551N543-G547 PolarHBondContact O-N 3.28Å; E544-G547 PolarHBondContact O-N 3.25Å; V545-G547 VanDerWaalsContact C-N 3.33Å; V545-G547 PolarHBondContact O-N 2.74Å; G547-H551 WeakPolarHBondContact O-CB 3.5Å; G547-H551 PolarHBondContact O-N 3.11Å
548I60.2Low56.3Low42 Ų4285.4 Ų85.422%0.21545%0.452CS..Hα-helixtrans-66.1-46.9174.6-67.8162.7000110.4W216 E544 V545 H551 V552W216-I548 HydrophobicContact CB-CG1 3.9Å; E544-I548 WeakPolarHBondContact O-CD1 3.23Å; E544-I548 VanDerWaalsContact O-CG1 3.25Å; E544-I548 WeakPolarHBondContact O-CG1 3.5Å; E544-I548 PolarHBondContact O-N 3.14Å; V545-I548 WeakPolarHBondContact O-CB 3.48Å; V545-I548 PolarHBondContact O-N 3.04Å; V545-I548 VanDerWaalsContact O-N 3.16Å; I548-H551 PolarHBondContact O-N 2.87Å; I548-V552 HydrophobicContact CG2-CG2 4.41Å; I548-V552 WeakPolarHBondContact O-CG2 3.41Å; I548-V552 PolarHBondContact O-N 3.02Å
549I67.1Low56.8Low91 Ų9192.5 Ų92.547%0.46748%0.482SS..Hα-helixtrans-57.7-55179.1-67.9165.5000110.6V545 H551 V552 D553V545-I549 HydrophobicContact CG1-CD1 4.02Å; V545-I549 WeakPolarHBondContact O-CG1 3.36Å; V545-I549 PolarHBondContact O-N 3.43Å; I549-H551 VanDerWaalsContact C-N 3.26Å; I549-H551 PolarHBondContact O-N 3.47Å; I549-V552 PolarHBondContact O-N 3.26Å; I549-V552 VanDerWaalsContact O-N 3.09Å; I549-D553 PolarHBondContact O-N 3.2Å
550R62.7Low57Low166 Ų16687.7 Ų87.763%0.62647%0.47SS*.Hα-helixtrans-60.5-32.7-179.9-71.1-173.7-64.1136.3-3.1113.6E546 S554E546-R550 WeakPolarHBondContact O-CG 3.37Å; E546-R550 PolarHBondContact O-N 3.08Å; R550-S554 WeakPolarHBondContact O-CB 3.29Å; R550-S554 PolarHBondContact O-N 3.04Å
551H56.1Low56.5Low78 Ų7889.9 Ų89.936%0.36149%0.485SS..Hα-helixtrans-72.6-40.2176.3-169.355000112W216 G547 I548 I549 S554 L555W216-H551 AromaticContact CD1-CD2 3.61Å; W216-H551 AromaticContact CD1-NE2 3.88Å; W216-H551 AromaticContact NE1-CD2 3.72Å; W216-H551 AromaticContact NE1-NE2 3.59Å; G547-H551 WeakPolarHBondContact O-CB 3.5Å; G547-H551 PolarHBondContact O-N 3.11Å; I548-H551 PolarHBondContact O-N 2.87Å; I549-H551 VanDerWaalsContact C-N 3.26Å; I549-H551 PolarHBondContact O-N 3.47Å; H551-S554 PolarHBondContact O-N 3.08Å; H551-L555 WeakPolarHBondContact O-CG 3.29Å; H551-L555 PolarHBondContact O-N 2.96Å; H551-L555 VanDerWaalsContact O-N 3.1Å
552V63.2Low55.8Low38 Ų3895.1 Ų95.123%0.2351%0.506CS..Hα-helixtrans-63.1-46.3173.6171.40000110.5I548 I549 S554 L555 M556I548-V552 HydrophobicContact CG2-CG2 4.41Å; I548-V552 WeakPolarHBondContact O-CG2 3.41Å; I548-V552 PolarHBondContact O-N 3.02Å; I549-V552 PolarHBondContact O-N 3.26Å; I549-V552 VanDerWaalsContact O-N 3.09Å; V552-S554 VanDerWaalsContact C-N 3.34Å; V552-S554 PolarHBondContact O-N 3.13Å; V552-L555 PolarHBondContact O-N 3.33Å; V552-L555 VanDerWaalsContact O-N 3.09Å; V552-M556 HydrophobicContact CG1-CG 4.02Å; V552-M556 WeakPolarHBondContact O-CB 3.31Å; V552-M556 VanDerWaalsContact O-CG 3.24Å; V552-M556 WeakPolarHBondContact O-CG 3.35Å; V552-M556 PolarHBondContact O-N 3.47Å
553D66.7Low54.7Low94 Ų9498.7 Ų98.750%0.50351%0.511SS..Hα-helixtrans-60.4-42.4177.6-67.6-26.1000112I549 L555 M556 N557I549-D553 PolarHBondContact O-N 3.2Å; D553-L555 VanDerWaalsContact C-N 3.27Å; D553-L555 PolarHBondContact O-N 3.49Å; D553-M556 PolarHBondContact O-N 3.33Å; D553-N557 PolarHBondContact O-N 3.08Å
554S70.2Confident53.7Low56 Ų56101.1 Ų101.139%0.39252%0.524SS..Hα-helixtrans-66.7-24.5176.2-175.40000114R550 H551 V552R550-S554 WeakPolarHBondContact O-CB 3.29Å; R550-S554 PolarHBondContact O-N 3.04Å; H551-S554 PolarHBondContact O-N 3.08Å; V552-S554 VanDerWaalsContact C-N 3.34Å; V552-S554 PolarHBondContact O-N 3.13Å
555L57.5Low52.8Low66 Ų66105.1 Ų105.135%0.34655%0.548SS..Hα-helixtrans-85.2-36.2174.8-73.4170.5000111.8I199 H551 V552 D553I199-L555 HydrophobicContact CG2-CD1 4.34Å; I199-L555 HydrophobicContact CG2-CD2 4.09Å; H551-L555 WeakPolarHBondContact O-CG 3.29Å; H551-L555 PolarHBondContact O-N 2.96Å; H551-L555 VanDerWaalsContact O-N 3.1Å; V552-L555 PolarHBondContact O-N 3.33Å; V552-L555 VanDerWaalsContact O-N 3.09Å; D553-L555 VanDerWaalsContact C-N 3.27Å; D553-L555 PolarHBondContact O-N 3.49Å
556M58.8Low51.7Low125 Ų125107.8 Ų107.862%0.61656%0.564SS**Hα-helixtrans-76.7-27.7179.9-67.4-63.2-67.200112.6V552 D553V552-M556 HydrophobicContact CG1-CG 4.02Å; V552-M556 WeakPolarHBondContact O-CB 3.31Å; V552-M556 VanDerWaalsContact O-CG 3.24Å; V552-M556 WeakPolarHBondContact O-CG 3.35Å; V552-M556 PolarHBondContact O-N 3.47Å; D553-M556 PolarHBondContact O-N 3.33Å
557N57.8Low50.3Low90 Ų90107.7 Ų107.748%0.48157%0.571SS.*  trans-129.869.1-174.8-141.5-3.8000112.7D553 Q559 T560D553-N557 PolarHBondContact O-N 3.08Å; N557-Q559 PolarHBondContact O-N 3.41Å; N557-T560 PolarHBondContact O-N 3.11Å; N557-T560 PolarHBondContact O-OG1 3.38Å
558P51.5Low49Very low94 Ų94113.7 Ų113.761%0.6160%0.596SS**THydrogen-bonded Turntrans-68.7-2-173.728.5-36.7000115.1
559Q47Very low47.5Very low181 Ų181116.7 Ų116.785%0.84662%0.617SS**THydrogen-bonded Turntrans-98-6179.1-61.8-148.923.800114.4N557N557-Q559 PolarHBondContact O-N 3.41Å
560T45.2Very low45.6Very low100 Ų100119.6 Ų119.661%0.61363%0.632SS**SBendtrans-95.51.3-178.348.70000114.7N557N557-T560 PolarHBondContact O-N 3.11Å; N557-T560 PolarHBondContact O-OG1 3.38Å
561T39.4Very low44.1Very low88 Ų88117.6 Ų117.654%0.5464%0.639SS.*SBendtrans-121.541-17642.10000113.5
562M36.5Very low42.9Very low167 Ų167120.4 Ų120.482%0.82366%0.661SS**SBendtrans-137.257.6175.1-81.1-72.2-17100111.9
563K32.9Very low41.4Very low196 Ų196123.8 Ų123.885%0.85268%0.684SS**SBendtrans-168.7149.4164.5-103145.1-172177.60109.7
564N31.7Very low39.9Very low152 Ų152124.8 Ų124.881%0.81369%0.693SS**  trans81.453.4176.3-49.3-10.7000117
565D31.3Very low38Very low168 Ų168127.2 Ų127.290%0.89871%0.706SS**  trans-128.8102.7145-91.4-43.1000108.3
566T32Very low36.7Very low128 Ų128130.8 Ų130.879%0.78573%0.726SS**  trans-150.6131.6176-440000109.8
567V28.2Very low35.6Very low113 Ų113131 Ų13169%0.68573%0.734SS**  trans70.199.6178.2-160.30000116.3
568N32.8Very low34.2Very low154 Ų154132.3 Ų132.382%0.82475%0.746SS**  -173.283.2127.3-90-29.4000108.6
569T29.6Very low33.6Very low106 Ų106133.1 Ų133.165%0.6575%0.749SS**  79.491.295.8-580000113.9
570I27.4Very low33Very low151 Ų151131 Ų13177%0.77474%0.743SS**  trans44.8113.5134-49.6169.6000117.5
571T30.3Very low32.6Very low125 Ų125131.1 Ų131.177%0.76774%0.74SS**  -174.7123.2102.9-62.50000110.5
572T30.4Very low32.4Very low136 Ų136134.6 Ų134.683%0.83475%0.748SS**  trans-115.1152.1160.349.40000109.5
573P32.8Very low32.5Very low109 Ų109134.9 Ų134.971%0.70875%0.752SS**  -143162.7124.237.7-24.5000111.1
574T33.7Very low32.3Very low115 Ų115128.8 Ų128.871%0.70675%0.745SS**  cis-164.1141.7-6.518.40000105.2
575T30.6Very low32.3Very low107 Ų107129.4 Ų129.466%0.65675%0.747SS**  30.5137.3106.273.30000115.4
576D31Very low32.3Very low142 Ų142126.9 Ų126.976%0.75974%0.737SS**  cis-143.2172.430.1-68.3-77.2000110.1
577T34.6Very low32.2Very low128 Ų128127.3 Ų127.379%0.78573%0.733SS**  cis-161.6156.740-46.20000111.9
578T29.7Very low32.5Very low119 Ų119129.7 Ų129.773%0.7374%0.742SS**  trans-64.4172.6175.148.60000114.5
579V37.7Very low32.4Very low111 Ų111129 Ų12967%0.67374%0.738SS**  -176.5128.593.5149.50000112.3
580N35.7Very low32.7Very low136 Ų136132.4 Ų132.473%0.72775%0.747SS**  trans54.3156.2143-64.416.3000122.8
581D36.3Very low32.7Very low103 Ų103132 Ų13255%0.55175%0.745SS**  cis-160.9155.6-24.1-124.1-29.8000108.9
582K34.7Very low32.7Very low161 Ų161132.8 Ų132.870%0.774%0.744SS**  trans29.7124.8146.9-62.9155.1-166.4135.90120.8
583D38.7Very low32.5Very low172 Ų172134.4 Ų134.492%0.9274%0.742SS**  -154.4149.796.3-98.3-24.6000110.4
584G28.9Very low32.2Very low68 Ų68135.5 Ų135.570%0.70175%0.751SS**  trans-151.4147.9-172.500000114.9
585I32.7Very low31.8Very low166 Ų166138.6 Ų138.685%0.85176%0.755SS**  trans-140.195.8169.9-63.2170.4000104.3
586V31.5Very low31.6Very low114 Ų114140 Ų14069%0.69176%0.758SS**  56.88488.3-175.60000110.2
587I29.2Very low31.5Very low137 Ų137141.7 Ų141.770%0.70376%0.761SS**  69114.195.6-63.2159.3000112.4
588D33.6Very low31.1Very low163 Ų163142.2 Ų142.287%0.87277%0.769SS**  -151.7121.2120-105.9-27000110.6
589D31.2Very low30.9Very low139 Ų139140.5 Ų140.574%0.74376%0.762SS**  trans-77.1120.4175.7-110.8-39.5000109.1
590H35.2Very low30.4Very low179 Ų179141.6 Ų141.683%0.82976%0.764SS**  trans-117.464.6154.5-148.4-63.1000111.2L592H590-L592 PolarHBondContact O-N 3.2Å; H590-L592 VanDerWaalsContact O-N 3.08Å
591L28.2Very low30.1Very low142 Ų142143.6 Ų143.674%0.74377%0.773SS**  trans-28.8103.1162.3-163.9108.1000113.4
592L29.9Very low29.7Very low141 Ų141143.7 Ų143.774%0.73878%0.778SS**  trans-152.1107.9154.8-134.482.5000111.4H590H590-L592 PolarHBondContact O-N 3.2Å; H590-L592 VanDerWaalsContact O-N 3.08Å
593E27.2Very low29.3Very low170 Ų170142 Ų14279%0.79478%0.775SS**  trans69.644137.6-144.6153.6-145.500120.5
594C25.6Very low28.8Very low133 Ų133143.3 Ų143.390%0.89977%0.774SS**  trans-98.160.1154.2-83.70000112
595K25.9Very low28.7Very low180 Ų180147 Ų14778%0.78377%0.773SS**  trans-138.3139.2163.8-83-175.5176.4174.70109.7
596N26.6Very low28.5Very low135 Ų135143.4 Ų143.472%0.72277%0.767SS**  trans72.490.9171.4-50.2-18.2000117.2
597Q28.1Very low28.4Very low178 Ų178141.4 Ų141.483%0.83277%0.769SS**  trans-151.126.7135.2-116.6157.351.600116.5S599Q597-S599 PolarHBondContact O-N 3.29Å
598C25.8Very low28.5Very low139 Ų139143 Ų14394%0.93978%0.779SS**SBendtrans-80.455.7154.1-65.30000110
599S25.7Very low28.3Very low84 Ų84141.3 Ų141.359%0.58777%0.768SS**  trans-153.464.5-172.9-57.30000110.5Q597Q597-S599 PolarHBondContact O-N 3.29Å
600N28.2Very low28.3Very low134 Ų134142 Ų14272%0.71777%0.772SS**  trans-154.219.4167.6-97.1-37.9000114V602N600-V602 PolarHBondContact O-N 3.24Å
601L28.2Very low28.1Very low177 Ų177138.6 Ų138.693%0.92777%0.768SS**  trans-82.972.1153.5-91.2164.8000107.8L603L601-L603 PolarHBondContact O-N 3.01Å
602V28.1Very low28.2Very low106 Ų106139.7 Ų139.764%0.64277%0.773SS**  trans-69.5117.1169.1174.40000107.2N600 F604N600-V602 PolarHBondContact O-N 3.24Å; V602-F604 PolarHBondContact O-N 3.25Å
603L26.6Very low28.1Very low124 Ų124138.5 Ų138.565%0.64977%0.772SS**  trans-55.2121.2172-70.496000109.8L601 E605L601-L603 PolarHBondContact O-N 3.01Å; L603-E605 HydrophobicContact CB-CB 3.98Å; L603-E605 HydrophobicContact CD2-CB 3.91Å; L603-E605 HydrophobicContact CD2-CG 4.44Å
604F27.4Very low28.2Very low201 Ų201136 Ų13688%0.88277%0.773SS**  trans-93.668.1147.9-101.3-81.6000108.1V602 A606V602-F604 PolarHBondContact O-N 3.25Å; F604-A606 PolarHBondContact O-N 2.8Å
605E26.9Very low28.4Very low146 Ų146135 Ų13568%0.68277%0.767SS**  trans-81.684.5170.8-173.8173.8-136.700108.3L603L603-E605 HydrophobicContact CB-CB 3.98Å; L603-E605 HydrophobicContact CD2-CB 3.91Å; L603-E605 HydrophobicContact CD2-CG 4.44Å
606A29.9Very low28.8Very low90 Ų90136 Ų13674%0.74478%0.775SS**  trans-163.1100170.100000109.9F604F604-A606 PolarHBondContact O-N 2.8Å
607G29.8Very low29.1Very low71 Ų71136.8 Ų136.873%0.73278%0.778SS**SBendtrans152.2-17.1162.800000119.1
608L30.1Very low29.3Very low171 Ų171135.5 Ų135.590%0.89577%0.774SS**  trans-139.962.6-175.5-77.5172.9000112.7
609I29.8Very low29.6Very low127 Ų127136.1 Ų136.165%0.65176%0.763SS**  trans-108.2-10.8171.6-40.8178.9000111.2
610D31Very low29.8Very low154 Ų154137.7 Ų137.782%0.82477%0.769SS**THydrogen-bonded Turntrans-101.831.9-167.4-63.5-25.8000115.5
611S31.3Very low29.8Very low108 Ų108136.1 Ų136.176%0.75577%0.769SS**THydrogen-bonded Turntrans-148.317177-68.80000116.3
612I29.4Very low29.9Very low164 Ų164132.3 Ų132.384%0.84176%0.757SS**SBendtrans-132.550.7173.7-39.2179.4000111.1
613T29.1Very low30.1Very low117 Ų117136 Ų13672%0.71877%0.767SS**  trans-147.9140.5165.948.70000109.9
614S29Very low30.2Very low116 Ų116139.7 Ų139.781%0.81177%0.774SS**SBendtrans77.5113.1-171.1-38.20000113.3
615S30.5Very low30.2Very low112 Ų112135.9 Ų135.978%0.78376%0.762SS**SBendcis-150.411911.9-60.30000112.3
616E32.9Very low30.5Very low201 Ų201133.4 Ų133.494%0.93976%0.759SS**  trans-163.285.2149.6-115.7171.8-162.800107.5
617I33.6Very low30.3Very low153 Ų153134 Ų13479%0.78576%0.758SS**  trans-129.5149172.6-50.4-179.6000107.2
618M33.2Very low30.2Very low151 Ų151137 Ų13774%0.74476%0.757SS**  trans83.196.4-178.8-53.5-167.972.500113.4
619E30.8Very low30.1Very low152 Ų152138.9 Ų138.971%0.7175%0.752SS**  74.2132.572-70.9166.9-171.100111.1
620T30.2Very low30.1Very low116 Ų116139.3 Ų139.371%0.71276%0.755SS**  cis-158.7172.20.430.10000108
621S28.9Very low30.1Very low102 Ų102139.5 Ų139.571%0.71375%0.751SS**  trans30.9133.9142.166.70000119.8
622S29.7Very low29.9Very low97 Ų97139.6 Ų139.668%0.67875%0.751SS**  cis-174.516727.636.20000111
623E32.3Very low29.9Very low184 Ų184137 Ų13786%0.8675%0.747SS**  trans60.9109.2152.7-72.2169.3159.500118.5
624Y28Very low29.8Very low201 Ų201136.2 Ų136.279%0.78875%0.747SS**  95.886.967.5-162.3-88.5000112.7
625N28.7Very low29.8Very low120 Ų120137.8 Ų137.864%0.64275%0.745SS**  trans69.4172.4137.1-134.715.8000116.1
626P32.8Very low29.8Very low95 Ų95141.1 Ų141.162%0.61774%0.74SS**  -120.7-171.9-95.939.2-25.3000112.5
627S26.5Very low29.6Very low102 Ų102136.7 Ų136.771%0.71372%0.72SS**  trans108.1129.5162.3-41.30000114.6
628D27.2Very low29.4Very low135 Ų135137.9 Ų137.972%0.72272%0.716SS**  trans58.8124.4137.2-73.68.2000121.8
629R28.2Very low29.3Very low209 Ų209141 Ų14179%0.78972%0.72SS**  trans83.7100.5143.1-65.8164.8-177.5-124.4-1.8119.1
630L28.9Very low29.3Very low137 Ų137141.8 Ų141.872%0.71772%0.724SS**  64.7118.7117.8-63.9168.3000119.6
631H30.4Very low29.1Very low158 Ų158143.2 Ų143.273%0.73173%0.726SS**  trans73.792.6143.4-62.5-41.1000120.2
632S28.6Very low29.2Very low109 Ų109144.7 Ų144.776%0.76273%0.731SS**  trans-20.9136.6136.8-177.60000115.9
633S27.7Very low29.4Very low109 Ų109145.4 Ų145.476%0.76274%0.736SS**  -171.4151.4109.248.70000114.7
634S28Very low29.6Very low101 Ų101145.3 Ų145.371%0.70674%0.736SS**  trans103144.2143.3-145.50000120
635I29.5Very low30.2Very low150 Ų150144.9 Ų144.977%0.76974%0.741SS**  trans76.6133.2160.5-70.1150.3000117
636R29.8Very low30.9Very low182 Ų182146 Ų14669%0.68775%0.747SS**  cis-173.7145.8-8.4-175.3167.3-166.9-147-16.6112.6
637E29.1Very low31.3Very low108 Ų108149 Ų14951%0.50576%0.757SS.*  trans25.4131.6153.8-54.5152.1-163.100122.6
638Y28.5Very low31.9Very low178 Ų178148 Ų14870%0.69876%0.762SS**  162.2156100.3-98.5-69.5000116.6
639Y31.4Very low32.2Very low216 Ų216149.5 Ų149.585%0.84777%0.77SS**  trans95.4149.6162.4-63.4-65.6000121.5
640H30.4Very low32.7Very low168 Ų168144.4 Ų144.478%0.77877%0.767SS**  trans-137.3151-146.2-111-106.3000112.3
641L25.8Very low33.2Very low147 Ų147145.3 Ų145.377%0.7777%0.772SS**  trans37.5123.5143.6-59.3172.8000122.8
642T32Very low33.7Very low132 Ų132146.3 Ų146.381%0.8178%0.777SS**  trans-158.2106.913744.90000106.5
643S34.7Very low34.3Very low112 Ų112150.1 Ų150.178%0.78378%0.783SS**  88.8134.772.768.10000113.5
644E35.8Very low34.8Very low183 Ų183152.3 Ų152.386%0.85579%0.786SS**  trans-85.7-174.2-176.9-63.8174.9120.500112.8
645E40.5Very low35.7Very low192 Ų192154.3 Ų154.390%0.89779%0.794SS**  trans84.4121.4164.7-56.9-173.417600117.5
646D42.6Very low36.2Very low144 Ų144154.5 Ų154.577%0.7780%0.796SS**  trans-134.6136.8-175.6-154.21.6000108.8
647L42.1Very low37Very low158 Ų158153.6 Ų153.683%0.82781%0.805SS**  trans71.9106.5165.9-46.5-178.8000121
648G39.5Very low37.7Very low79 Ų79155.2 Ų155.281%0.81482%0.817SS**  113.288.610900000119.8
649N32.7Very low38.5Very low168 Ų168151.8 Ų151.890%0.89882%0.819SS**  trans-78.7139.4160.3-88.26.7000112
650S38.6Very low39Very low102 Ų102148.6 Ų148.671%0.71381%0.812SS**  trans148.6142.1150.546.80000109.9
651D38.7Very low39.6Very low156 Ų156148.1 Ų148.183%0.83481%0.808SS**  cis-153.1175-17.7-88.2-36.8000107.2
652E40.9Very low40.3Very low178 Ų178148.4 Ų148.483%0.83281%0.81SS**  trans-26.3141.3174.6-53.9177.7174.700119.2
653E41.7Very low40.5Very low190 Ų190149.6 Ų149.689%0.88881%0.812SS**  -178147.8107.7-97-177.4-171.600112.3
654D39.6Very low40.9Very low155 Ų155151.7 Ų151.783%0.82981%0.814SS**  trans-75.3159.6-176.1-55.2-66.1000114.2
655V45.9Very low41.1Very low143 Ų143147.2 Ų147.287%0.86780%0.803SS**  trans-169.6124.8130.7161.10000109.2
656D39.5Very low41.2Very low154 Ų154144.7 Ų144.782%0.82480%0.795SS**  trans-75.3151.5170.1-53.6-76.3000112.9
657D46.8Very low41.1Very low162 Ų162145.1 Ų145.187%0.86680%0.798SS**  trans-156.1152.3136.2-144.8-17.8000112.3
658D45Very low41Very low143 Ų143146.2 Ų146.277%0.76580%0.796SS**  trans-84159.3-164.8-80.4-59.1000115.1
659S44.3Very low40.9Very low106 Ų106147.9 Ų147.974%0.74179%0.791SS**  151.7126.7106.957.80000117.6
660E42.5Very low41.1Very low149 Ų149145 Ų14570%0.69678%0.783SS**  trans54.1107.6138.8-60.9-150.7123.700121.6
661K43.4Very low41.2Very low158 Ų158144 Ų14469%0.68778%0.781SS**  77.2114.586.3-77.3-179.4-168.6155.60115.9
662N39.7Very low41.3Very low153 Ų153143.3 Ų143.382%0.81878%0.776SS**  174.8143.495.5-88.6-45.1000111.6
663N35.5Very low40.9Very low157 Ų157145.5 Ų145.584%0.8478%0.777SS**  trans-108.8146.3170.7-70-47000109.4
664D44.1Very low40.8Very low156 Ų156145.3 Ų145.383%0.83478%0.776SS**  trans-166.3104.5153-92.6-23.9000105.7
665S40.4Very low40.8Very low88 Ų88146.1 Ų146.162%0.61578%0.775SS**  82.6113.378.276.30000114.7
666D42.4Very low40.4Very low139 Ų139146.5 Ų146.574%0.74377%0.767SS**  trans53.2113.9143.2-47.9-24.5000121.2
667N39.9Very low40.3Very low154 Ų154146.9 Ų146.982%0.82476%0.764SS**  -178.2160.990.8-103.4-65.3000117.8
668K39.8Very low40Very low180 Ų180147.9 Ų147.978%0.78376%0.763SS**  trans-47.2138.1177.7-83.5176.1171.9171.40119.4
669T37.6Very low39.8Very low115 Ų115149.2 Ų149.271%0.70677%0.765SS**  68.1112.9117.4-47.80000121.1
670S38.1Very low39.7Very low107 Ų107151.7 Ų151.775%0.74877%0.765SS**  trans59.9129.4146.273.90000120.6
671A40.1Very low39.7Very low81 Ų81152.8 Ų152.867%0.66977%0.77SS**  154.414795.800000114.2
672I39.5Very low39.8Very low142 Ų142151.3 Ų151.373%0.72877%0.774SS**  trans74114.2144.2-69160.2000120.2
673R34.5Very low40.1Very low223 Ų223155.3 Ų155.384%0.84279%0.793SS**  trans34.5133.6134.9-52.9173.3172.8150.5-5.9120.3
674Q39.1Very low40.4Very low187 Ų187155.2 Ų155.287%0.87479%0.79SS**  -174.2175.6111.2-102167.815.600112.1
675Q38.8Very low40.2Very low171 Ų171155.2 Ų155.280%0.79979%0.788SS**  trans82.685.7-176.2-56.6-178.2-400113.6
676Q37.5Very low40.1Very low152 Ų152158.9 Ų158.971%0.7180%0.798SS**  91.6104.270.4-78.5-178.2-79.500110.6
677E38.7Very low40Very low162 Ų162160.1 Ų160.176%0.75780%0.801SS**  89106.287-82.4175.3151.600111.6
678E40.6Very low40Very low182 Ų182160.4 Ų160.485%0.8580%0.8SS**  170.6145124.2-93178.9175.100111.9
679H39.8Very low40Very low171 Ų171159.1 Ų159.179%0.79280%0.801SS**  trans55.5105.5172.8-89.2-73.2000118.3
680E41.9Very low40.2Very low159 Ų159162.3 Ų162.374%0.74381%0.807SS**  cis75.4109.931.3-154.7170-126.400115.2
681E43.2Very low40.4Very low172 Ų172166.5 Ų166.580%0.80481%0.812SS**  trans49133163.9-61.1-173.9137.200118.9
682T45.8Very low40.4Very low126 Ų126173.7 Ų173.777%0.77382%0.824SS**  -165.6148.954.1-39.90000112
683I45.6Very low40.5Very low237 Ų237176.5 Ų176.5100%1.21583%0.833SS**  trans780175-43.5-173.4000115.5

Retrieved 683 of 683 residues in 306.2 ms (Link to these results)

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