A0A3Q0KQJ0_SCHMA Loading...

MIF4G domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQJ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,348 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
1M50.6Low77.5Confident203 Ų203115.2 Ų115.2100%158%0.582SS**  0-20.30-72.7-177.874.300113.6
2N63.7Low78.7Confident134 Ų134107.8 Ų107.872%0.71755%0.546SS*.Hα-helixtrans-82.6-30-171-73.10.3000117.4Q6N2-Q6 VanDerWaalsContact O-CB 3.25Å; N2-Q6 WeakPolarHBondContact O-CB 3.39Å; N2-Q6 PolarHBondContact O-N 3.01Å; N2-Q6 VanDerWaalsContact O-N 3.14Å
3E75.2Confident79.6Confident152 Ų152110.5 Ų110.571%0.7155%0.545SS*.Hα-helixtrans-71.2-44.2-174.7-83.2-176.8154.700113.3D5 Q6 I7E3-D5 PolarHBondContact O-N 3.47Å; E3-Q6 PolarHBondContact O-N 2.88Å; E3-I7 VanDerWaalsContact O-CG1 3.29Å; E3-I7 WeakPolarHBondContact O-CG1 3.25Å; E3-I7 PolarHBondContact O-N 3.27Å
4Q73.4Confident80.5Confident145 Ų145111.2 Ų111.268%0.67854%0.544SS*.Hα-helixtrans-63.1-42.5-178.8-136.782.98.200112.1Q6 I7 T8Q4-Q6 VanDerWaalsContact C-N 3.3Å; Q4-Q6 PolarHBondContact O-N 3.24Å; Q4-I7 PolarHBondContact O-N 3.09Å; Q4-T8 WeakPolarHBondContact O-CG2 3.27Å; Q4-T8 PolarHBondContact O-N 3.26Å; Q4-T8 PolarHBondContact O-OG1 2.83Å
5D77.6Confident81.2Confident101 Ų101108 Ų10854%0.5453%0.527SS..Hα-helixtrans-67.2-33.8177.6-70-16.6000111.4E3 T8 S9E3-D5 PolarHBondContact O-N 3.47Å; D5-T8 WeakPolarHBondContact CA-OG1 3.34Å; D5-T8 PolarHBondContact O-OG1 3.05Å; D5-S9 VanDerWaalsContact O-CB 3.24Å; D5-S9 WeakPolarHBondContact O-CB 3.48Å; D5-S9 PolarHBondContact O-N 3.46Å
6Q80.9Confident81.9Confident138 Ų138101.3 Ų101.365%0.64549%0.494SS*.Hα-helixtrans-71.4-41.8176.8-163.5163.944.400111.9N2 E3 Q4 S9 E10N2-Q6 VanDerWaalsContact O-CB 3.25Å; N2-Q6 WeakPolarHBondContact O-CB 3.39Å; N2-Q6 PolarHBondContact O-N 3.01Å; N2-Q6 VanDerWaalsContact O-N 3.14Å; E3-Q6 PolarHBondContact O-N 2.88Å; Q4-Q6 VanDerWaalsContact C-N 3.3Å; Q4-Q6 PolarHBondContact O-N 3.24Å; Q6-S9 PolarHBondContact O-N 2.98Å; Q6-E10 WeakPolarHBondContact O-CB 3.25Å; Q6-E10 PolarHBondContact O-N 3.15Å
7I84Confident82.6Confident90 Ų9099 Ų9946%0.46249%0.488SS..Hα-helixtrans-63.9-47.4176-66.9163.9000110.9E3 Q4 S9 E10 I11E3-I7 VanDerWaalsContact O-CG1 3.29Å; E3-I7 WeakPolarHBondContact O-CG1 3.25Å; E3-I7 PolarHBondContact O-N 3.27Å; Q4-I7 PolarHBondContact O-N 3.09Å; I7-S9 VanDerWaalsContact C-N 3.34Å; I7-S9 PolarHBondContact O-N 3.43Å; I7-E10 PolarHBondContact O-N 3.11Å; I7-I11 HydrophobicContact CG2-CD1 3.88Å; I7-I11 WeakPolarHBondContact O-CG1 3.46Å; I7-I11 PolarHBondContact O-N 2.9Å
8T83.6Confident83.1Confident69 Ų69101.3 Ų101.342%0.42350%0.497SS..Hα-helixtrans-62.7-41.6177.947.40000111.6Q4 D5 E10 I11 D12Q4-T8 WeakPolarHBondContact O-CG2 3.27Å; Q4-T8 PolarHBondContact O-N 3.26Å; Q4-T8 PolarHBondContact O-OG1 2.83Å; D5-T8 WeakPolarHBondContact CA-OG1 3.34Å; D5-T8 PolarHBondContact O-OG1 3.05Å; T8-E10 VanDerWaalsContact C-N 3.33Å; T8-E10 PolarHBondContact O-N 2.79Å; T8-I11 PolarHBondContact O-N 3.38Å; T8-D12 PolarHBondContact O-N 2.7Å
9S86.7Confident83.7Confident38 Ų3898.5 Ų98.527%0.26648%0.482SS..Hα-helixtrans-62-39.6174.2-173.10000112.5D5 Q6 I7 D12 R13 Y223D5-S9 VanDerWaalsContact O-CB 3.24Å; D5-S9 WeakPolarHBondContact O-CB 3.48Å; D5-S9 PolarHBondContact O-N 3.46Å; Q6-S9 PolarHBondContact O-N 2.98Å; I7-S9 VanDerWaalsContact C-N 3.34Å; I7-S9 PolarHBondContact O-N 3.43Å; S9-D12 PolarHBondContact O-N 3.22Å; S9-R13 WeakPolarHBondContact O-CB 3.29Å; S9-R13 WeakPolarHBondContact O-CG 3.44Å; S9-R13 PolarHBondContact O-N 3.33Å; S9-Y223 WeakPolarHBondContact CA-OH 3.44Å; S9-Y223 PolarHBondContact O-OH 3.46Å; S9-Y223 PolarHBondContact OG-OH 3.33Å
10E87.4Confident84.1Confident103 Ų10395.1 Ų95.148%0.48147%0.465SS..Hα-helixtrans-66.1-41.1177.1-163.5-174.4157.800112.2Q6 I7 T8 R13 K14Q6-E10 WeakPolarHBondContact O-CB 3.25Å; Q6-E10 PolarHBondContact O-N 3.15Å; I7-E10 PolarHBondContact O-N 3.11Å; T8-E10 VanDerWaalsContact C-N 3.33Å; T8-E10 PolarHBondContact O-N 2.79Å; E10-R13 PolarHBondContact O-N 2.97Å; E10-K14 WeakPolarHBondContact O-CB 3.44Å; E10-K14 WeakPolarHBondContact O-CG 3.45Å; E10-K14 PolarHBondContact O-N 2.93Å; E10-K14 WeakPolarHBondContact OE1-CE 3.39Å; E10-K14 IonicContact OE1-NZ 3.41Å; E10-K14 PolarHBondContact OE1-NZ 3Å
11I89.6Confident84.6Confident94 Ų9493.9 Ų93.948%0.48246%0.464SS..Hα-helixtrans-62.2-47.7175.4-67.2165.5000110.5I7 T8 R13 K14 Q15I7-I11 HydrophobicContact CG2-CD1 3.88Å; I7-I11 WeakPolarHBondContact O-CG1 3.46Å; I7-I11 PolarHBondContact O-N 2.9Å; T8-I11 PolarHBondContact O-N 3.38Å; I11-R13 PolarHBondContact O-N 2.93Å; I11-K14 PolarHBondContact O-N 2.87Å; I11-Q15 PolarHBondContact O-N 3.28Å
12D92.2Very high86.5Confident27 Ų2789.9 Ų89.914%0.14444%0.443CS..Hα-helixtrans-62.4-41.8179.5-75.2-18.8000111.8T8 S9 Q15 V16 R215 L219 Y223T8-D12 PolarHBondContact O-N 2.7Å; S9-D12 PolarHBondContact O-N 3.22Å; D12-Q15 PolarHBondContact O-N 2.87Å; D12-V16 PolarHBondContact O-N 2.81Å; D12-V16 VanDerWaalsContact O-N 3.15Å; D12-R215 IonicContact OD1-NH2 2.65Å; D12-L219 HydrophobicContact CB-CD1 3.97Å; D12-L219 HydrophobicContact CB-CD2 3.8Å; D12-L219 HydrophobicContact CB-CG 4.49Å; D12-Y223 HydrophobicContact CB-CE2 3.77Å
13R90.3Very high87.8Confident142 Ų14283.7 Ų83.754%0.53641%0.41SS..Hα-helixtrans-64.5-41.5176.2-74-178.381.1-1706111.9S9 E10 I11 Q15 V16 T17 Y223S9-R13 WeakPolarHBondContact O-CB 3.29Å; S9-R13 WeakPolarHBondContact O-CG 3.44Å; S9-R13 PolarHBondContact O-N 3.33Å; E10-R13 PolarHBondContact O-N 2.97Å; I11-R13 PolarHBondContact O-N 2.93Å; R13-Q15 VanDerWaalsContact C-N 3.33Å; R13-V16 PolarHBondContact O-N 3.13Å; R13-T17 WeakPolarHBondContact O-CB 3.29Å; R13-T17 PolarHBondContact O-N 2.98Å; R13-T17 PolarHBondContact O-OG1 3.37Å; R13-Y223 HydrophobicContact CG-CD1 3.63Å; R13-Y223 HydrophobicContact CG-CD2 3.81Å; R13-Y223 HydrophobicContact CG-CE1 3.52Å; R13-Y223 HydrophobicContact CG-CE2 3.69Å; R13-Y223 HydrophobicContact CG-CG 3.79Å
14K91.9Very high88.6Confident121 Ų12178.8 Ų78.853%0.52639%0.392SS..Hα-helixtrans-59.9-45175.4-78.1174.3-176.9165.90111E10 I11 V16 T17 E18E10-K14 WeakPolarHBondContact O-CB 3.44Å; E10-K14 WeakPolarHBondContact O-CG 3.45Å; E10-K14 PolarHBondContact O-N 2.93Å; E10-K14 WeakPolarHBondContact OE1-CE 3.39Å; E10-K14 IonicContact OE1-NZ 3.41Å; E10-K14 PolarHBondContact OE1-NZ 3Å; I11-K14 PolarHBondContact O-N 2.87Å; K14-V16 PolarHBondContact O-N 3.21Å; K14-T17 PolarHBondContact O-N 2.94Å; K14-E18 WeakPolarHBondContact O-CB 3.47Å; K14-E18 PolarHBondContact O-N 3.4Å
15Q91.5Very high89.5Confident63 Ų6378.2 Ų78.229%0.29439%0.389SS..Hα-helixtrans-61-44.9-179.8-169.8178.44.500112.7I11 D12 R13 F19 R215 I216I11-Q15 PolarHBondContact O-N 3.28Å; D12-Q15 PolarHBondContact O-N 2.87Å; R13-Q15 VanDerWaalsContact C-N 3.33Å; Q15-F19 PolarHBondContact O-N 3.42Å; Q15-F19 VanDerWaalsContact O-N 3.13Å; Q15-R215 VanDerWaalsContact OE1-NH2 3.16Å; Q15-I216 HydrophobicContact CG-CD1 4.22Å
16V92.3Very high90.1Very high0 Ų075.6 Ų75.60%037%0.372CS..Hα-helixtrans-65.8-42176.2176.10000111.4D12 R13 K14 E18 F19 I20 L219 M225D12-V16 PolarHBondContact O-N 2.81Å; D12-V16 VanDerWaalsContact O-N 3.15Å; R13-V16 PolarHBondContact O-N 3.13Å; K14-V16 PolarHBondContact O-N 3.21Å; V16-E18 PolarHBondContact O-N 2.86Å; V16-F19 PolarHBondContact O-N 3.15Å; V16-I20 HydrophobicContact CG1-CD1 3.75Å; V16-I20 HydrophobicContact CG1-CG1 4.32Å; V16-I20 VanDerWaalsContact O-CG1 3.31Å; V16-I20 WeakPolarHBondContact O-CG1 3.45Å; V16-I20 PolarHBondContact O-N 3.16Å; V16-L219 HydrophobicContact CG2-CB 3.22Å; V16-L219 HydrophobicContact CG2-CD1 3.95Å; V16-L219 HydrophobicContact CG2-CG 4.24Å; V16-M225 HydrophobicContact CG1-CB 4.03Å; V16-M225 HydrophobicContact CG1-CE 4.28Å; V16-M225 HydrophobicContact CG1-SD 4.23Å
17T92.7Very high90.7Very high63 Ų6370.2 Ų70.239%0.38735%0.347SS..Hα-helixtrans-61.4-46.2-179.7-53.40000111.1R13 K14 I20 V21 M225R13-T17 WeakPolarHBondContact O-CB 3.29Å; R13-T17 PolarHBondContact O-N 2.98Å; R13-T17 PolarHBondContact O-OG1 3.37Å; K14-T17 PolarHBondContact O-N 2.94Å; T17-I20 PolarHBondContact O-N 3.15Å; T17-V21 WeakPolarHBondContact O-CG2 3.27Å; T17-V21 PolarHBondContact O-N 2.73Å; T17-M225 WeakPolarHBondContact OG1-CE 3.26Å
18E92.8Very high91.1Very high140 Ų14069.4 Ų69.465%0.65435%0.35SS*.Hα-helixtrans-60.8-45.2177.4-172.5174.6-170.600111.5K14 V16 I20 V21 E22K14-E18 WeakPolarHBondContact O-CB 3.47Å; K14-E18 PolarHBondContact O-N 3.4Å; V16-E18 PolarHBondContact O-N 2.86Å; E18-I20 VanDerWaalsContact C-N 3.33Å; E18-I20 PolarHBondContact O-N 2.95Å; E18-V21 PolarHBondContact O-N 3.37Å; E18-E22 PolarHBondContact O-N 2.97Å
19F93.2Very high91.6Very high49 Ų4967.9 Ų67.922%0.21534%0.339CS..Hα-helixtrans-61.1-40.3176.6-172.6-88.1000112.6Q15 V16 T23 I216 V227Q15-F19 PolarHBondContact O-N 3.42Å; Q15-F19 VanDerWaalsContact O-N 3.13Å; V16-F19 PolarHBondContact O-N 3.15Å; F19-T23 WeakPolarHBondContact CE1-OG1 3.39Å; F19-T23 WeakPolarHBondContact O-CB 3.37Å; F19-T23 PolarHBondContact O-N 3.44Å; F19-T23 PolarHBondContact O-OG1 2.95Å; F19-I216 HydrophobicContact CB-CD1 4.19Å; F19-I216 HydrophobicContact CB-CG2 4.47Å; F19-I216 HydrophobicContact CD1-CG2 3.6Å; F19-I216 HydrophobicContact CD2-CD1 4.34Å; F19-I216 HydrophobicContact CD2-CG1 4.1Å; F19-I216 HydrophobicContact CE1-CG2 3.92Å; F19-I216 HydrophobicContact CE2-CG1 4.39Å; F19-I216 HydrophobicContact CG-CD1 4.24Å; F19-I216 HydrophobicContact CG-CG1 4.19Å; F19-I216 HydrophobicContact CG-CG2 3.96Å; F19-V227 HydrophobicContact CD1-CG1 4.14Å; F19-V227 HydrophobicContact CE1-CG1 3.85Å
20I93.1Very high91.9Very high29 Ų2966.4 Ų66.415%0.14933%0.328CS..Hα-helixtrans-65.4-43.6177.2-72171.9000110.8V16 T17 E18 T23 S24 M225 V227 P228V16-I20 HydrophobicContact CG1-CD1 3.75Å; V16-I20 HydrophobicContact CG1-CG1 4.32Å; V16-I20 VanDerWaalsContact O-CG1 3.31Å; V16-I20 WeakPolarHBondContact O-CG1 3.45Å; V16-I20 PolarHBondContact O-N 3.16Å; T17-I20 PolarHBondContact O-N 3.15Å; E18-I20 VanDerWaalsContact C-N 3.33Å; E18-I20 PolarHBondContact O-N 2.95Å; I20-T23 PolarHBondContact O-N 3.23Å; I20-S24 VanDerWaalsContact O-CB 3.28Å; I20-S24 WeakPolarHBondContact O-CB 3.28Å; I20-S24 PolarHBondContact O-N 2.78Å; I20-S24 PolarHBondContact O-OG 3.43Å; I20-M225 HydrophobicContact CD1-CB 3.93Å; I20-M225 HydrophobicContact CD1-CE 4.05Å; I20-V227 HydrophobicContact CD1-CG2 4.34Å; I20-V227 HydrophobicContact CG1-CG2 4.02Å; I20-P228 HydrophobicContact CG2-CG 4.39Å
21V93.7Very high92.1Very high71 Ų7164.9 Ų64.943%0.4333%0.325SS..Hα-helixtrans-62.2-51.8178.4171.40000110.3T17 E18 T23 S24 E25T17-V21 WeakPolarHBondContact O-CG2 3.27Å; T17-V21 PolarHBondContact O-N 2.73Å; E18-V21 PolarHBondContact O-N 3.37Å; V21-T23 VanDerWaalsContact C-N 3.32Å; V21-T23 PolarHBondContact O-N 3.23Å; V21-S24 PolarHBondContact O-N 2.97Å; V21-S24 VanDerWaalsContact O-N 3.17Å; V21-E25 HydrophobicContact CG1-CG 4.48Å; V21-E25 WeakPolarHBondContact O-CG 3.27Å; V21-E25 PolarHBondContact O-N 3.28Å
22E90.7Very high92.4Very high119 Ų11963.2 Ų63.256%0.55632%0.32SS*.Hα-helixtrans-59.2-44179.3-172.4-177.1179.100111.6E18 S24 R26E18-E22 PolarHBondContact O-N 2.97Å; E22-S24 PolarHBondContact O-N 2.92Å; E22-R26 WeakPolarHBondContact O-CB 3.26Å; E22-R26 PolarHBondContact O-N 2.91Å
23T91.1Very high92.5Very high4 Ų462.4 Ų62.43%0.02532%0.315CS..Hα-helixtrans-64.3-41.9177.8-59.70000111.5F19 I20 V21 R26 L27 P228F19-T23 WeakPolarHBondContact CE1-OG1 3.39Å; F19-T23 WeakPolarHBondContact O-CB 3.37Å; F19-T23 PolarHBondContact O-N 3.44Å; F19-T23 PolarHBondContact O-OG1 2.95Å; I20-T23 PolarHBondContact O-N 3.23Å; V21-T23 VanDerWaalsContact C-N 3.32Å; V21-T23 PolarHBondContact O-N 3.23Å; T23-R26 PolarHBondContact O-N 3.45Å; T23-L27 HydrophobicContact CG2-CD1 3.93Å; T23-L27 HydrophobicContact CG2-CG 4.34Å; T23-L27 WeakPolarHBondContact O-CB 3.32Å; T23-L27 VanDerWaalsContact O-CG 3.28Å; T23-L27 WeakPolarHBondContact O-CG 3.35Å; T23-L27 PolarHBondContact O-N 3.19Å; T23-P228 HydrophobicContact CG2-CB 4.4Å
24S91.7Very high92.6Very high48 Ų4858.2 Ų58.234%0.33630%0.303SS..Hα-helixtrans-64.6-46.4179-59.40000111.9I20 V21 E22 R26 L27 S28 P228I20-S24 VanDerWaalsContact O-CB 3.28Å; I20-S24 WeakPolarHBondContact O-CB 3.28Å; I20-S24 PolarHBondContact O-N 2.78Å; I20-S24 PolarHBondContact O-OG 3.43Å; V21-S24 PolarHBondContact O-N 2.97Å; V21-S24 VanDerWaalsContact O-N 3.17Å; E22-S24 PolarHBondContact O-N 2.92Å; S24-R26 VanDerWaalsContact C-N 3.33Å; S24-R26 PolarHBondContact O-N 3.48Å; S24-L27 PolarHBondContact O-N 3.21Å; S24-S28 WeakPolarHBondContact O-CB 3.48Å; S24-S28 PolarHBondContact O-N 3.37Å; S24-P228 WeakPolarHBondContact OG-CG 3.4Å
25E92.3Very high92.6Very high134 Ų13458.6 Ų58.663%0.62631%0.307SS*.Hα-helixtrans-61.8-43.3177.6-72.4-177.5178.100111.3V21 S28 L29V21-E25 HydrophobicContact CG1-CG 4.48Å; V21-E25 WeakPolarHBondContact O-CG 3.27Å; V21-E25 PolarHBondContact O-N 3.28Å; E25-S28 PolarHBondContact O-N 2.84Å; E25-L29 WeakPolarHBondContact O-CB 3.06Å; E25-L29 PolarHBondContact O-N 3.4Å
26R91.4Very high92.7Very high45 Ų4559.5 Ų59.517%0.1731%0.311CS..Hα-helixtrans-63.6-47178-174.1176.371.5177.1-2.1112.2E22 T23 S24 R30 H203E22-R26 WeakPolarHBondContact O-CB 3.26Å; E22-R26 PolarHBondContact O-N 2.91Å; T23-R26 PolarHBondContact O-N 3.45Å; S24-R26 VanDerWaalsContact C-N 3.33Å; S24-R26 PolarHBondContact O-N 3.48Å; R26-R30 VanDerWaalsContact CD-NH2 3.33Å; R26-R30 VanDerWaalsContact CG-CZ 3.47Å; R26-R30 WeakPolarHBondContact O-CB 3.5Å; R26-R30 VanDerWaalsContact O-CG 3.26Å; R26-R30 WeakPolarHBondContact O-CG 3.33Å; R26-R30 PolarHBondContact O-N 3.45Å; R26-H203 PolarHBondContact NH1-O 2.95Å
27L91.6Very high92.7Very high25 Ų2559.5 Ų59.513%0.13131%0.311CS..Hα-helixtrans-65.6-41.1177.2-71.7175.1000111.8T23 S24 R30 T31 P228T23-L27 HydrophobicContact CG2-CD1 3.93Å; T23-L27 HydrophobicContact CG2-CG 4.34Å; T23-L27 WeakPolarHBondContact O-CB 3.32Å; T23-L27 VanDerWaalsContact O-CG 3.28Å; T23-L27 WeakPolarHBondContact O-CG 3.35Å; T23-L27 PolarHBondContact O-N 3.19Å; S24-L27 PolarHBondContact O-N 3.21Å; L27-R30 PolarHBondContact O-N 3.45Å; L27-T31 WeakPolarHBondContact O-CB 3.25Å; L27-T31 PolarHBondContact O-N 2.85Å; L27-T31 PolarHBondContact O-OG1 2.88Å; L27-P228 HydrophobicContact CD1-CB 3.82Å
28S93.7Very high92.6Very high73 Ų7361.5 Ų61.551%0.5132%0.319SS..Hα-helixtrans-60.9-47.8177178.10000111.8S24 E25 R30 T31 T32S24-S28 WeakPolarHBondContact O-CB 3.48Å; S24-S28 PolarHBondContact O-N 3.37Å; E25-S28 PolarHBondContact O-N 2.84Å; S28-R30 PolarHBondContact O-N 2.57Å; S28-T31 PolarHBondContact O-N 2.84Å; S28-T32 WeakPolarHBondContact O-CB 3.21Å; S28-T32 PolarHBondContact O-N 3.13Å; S28-T32 PolarHBondContact O-OG1 3.22Å
29L94.3Very high92.4Very high38 Ų3858 Ų5820%0.19931%0.314CS..Hα-helixtrans-59.4-49.4176.3176.963.4000111.1E25 T31 T32 L33 P109 K113E25-L29 WeakPolarHBondContact O-CB 3.06Å; E25-L29 PolarHBondContact O-N 3.4Å; L29-T31 PolarHBondContact O-N 3.28Å; L29-T32 PolarHBondContact O-N 3.42Å; L29-L33 HydrophobicContact CD1-CD1 4Å; L29-L33 HydrophobicContact CD1-CG 4.14Å; L29-L33 HydrophobicContact CG-CD1 4.15Å; L29-L33 VanDerWaalsContact O-CG 3.31Å; L29-L33 WeakPolarHBondContact O-CG 3.33Å; L29-L33 PolarHBondContact O-N 3.41Å; L29-P109 HydrophobicContact CD2-CB 3.74Å; L29-K113 HydrophobicContact CD1-CG 4.23Å
30R92.4Very high92.2Very high7 Ų757.4 Ų57.43%0.02631%0.313CS..Hα-helixtrans-64.1-41.9-178.1-71171-179170.1-2.8112.2R26 L27 S28 L33 L34 D160 T163 I164 D207R26-R30 VanDerWaalsContact CD-NH2 3.33Å; R26-R30 VanDerWaalsContact CG-CZ 3.47Å; R26-R30 WeakPolarHBondContact O-CB 3.5Å; R26-R30 VanDerWaalsContact O-CG 3.26Å; R26-R30 WeakPolarHBondContact O-CG 3.33Å; R26-R30 PolarHBondContact O-N 3.45Å; L27-R30 PolarHBondContact O-N 3.45Å; S28-R30 PolarHBondContact O-N 2.57Å; R30-L33 PolarHBondContact O-N 3.21Å; R30-L34 VanDerWaalsContact O-CB 3.27Å; R30-L34 WeakPolarHBondContact O-CB 3.46Å; R30-L34 PolarHBondContact O-N 3.28Å; R30-D160 IonicContact CZ-OD1 2.68Å; R30-D160 IonicContact CZ-OD2 3.49Å; R30-D160 IonicContact NE-OD1 3.86Å; R30-D160 PolarHBondContact NE-OD1 2.79Å; R30-D160 IonicContact NE-OD2 3.64Å; R30-D160 IonicContact NH2-OD1 2.77Å; R30-D160 PolarHBondContact NH2-OD1 2.81Å; R30-D160 IonicContact NH2-OD2 3.18Å; R30-D160 PolarHBondContact NH2-OD2 3.41Å; R30-T163 HydrophobicContact CB-CG2 4.42Å; R30-I164 HydrophobicContact CB-CG2 4.08Å; R30-I164 HydrophobicContact CG-CG2 4.12Å; R30-D207 IonicContact CZ-OD2 2.77Å; R30-D207 IonicContact NH1-OD1 2.8Å; R30-D207 IonicContact NH1-OD2 2.84Å; R30-D207 PolarHBondContact NH1-OD2 3.01Å; R30-D207 IonicContact NH2-OD2 3.53Å
31T91.4Very high91.4Very high70 Ų7058.1 Ų58.143%0.42932%0.323SS..Hα-helixtrans-62.2-46.8177-55.20000110.7L27 S28 L29 L33 L34 E35L27-T31 WeakPolarHBondContact O-CB 3.25Å; L27-T31 PolarHBondContact O-N 2.85Å; L27-T31 PolarHBondContact O-OG1 2.88Å; S28-T31 PolarHBondContact O-N 2.84Å; L29-T31 PolarHBondContact O-N 3.28Å; T31-L33 PolarHBondContact O-N 3.2Å; T31-L34 PolarHBondContact O-N 2.61Å; T31-E35 WeakPolarHBondContact O-CG 3.4Å; T31-E35 PolarHBondContact O-N 2.87Å
32T95.4Very high90.6Very high60 Ų6058 Ų5837%0.36834%0.335SS..Hα-helixtrans-59.2-46.1177.6-56.90000111.7S28 L29 Q36S28-T32 WeakPolarHBondContact O-CB 3.21Å; S28-T32 PolarHBondContact O-N 3.13Å; S28-T32 PolarHBondContact O-OG1 3.22Å; L29-T32 PolarHBondContact O-N 3.42Å; T32-Q36 VanDerWaalsContact O-CG 3.26Å; T32-Q36 WeakPolarHBondContact O-CG 3.19Å; T32-Q36 PolarHBondContact O-N 3.38Å; T32-Q36 VanDerWaalsContact O-N 3.16Å
33L95.1Very high90.4Very high10 Ų1059.8 Ų59.85%0.05234%0.341CS..Hα-helixtrans-68.8-38.9179.3-64.9-179.8000111.9L29 R30 T31 Q36 N37 L112 K113 I164L29-L33 HydrophobicContact CD1-CD1 4Å; L29-L33 HydrophobicContact CD1-CG 4.14Å; L29-L33 HydrophobicContact CG-CD1 4.15Å; L29-L33 VanDerWaalsContact O-CG 3.31Å; L29-L33 WeakPolarHBondContact O-CG 3.33Å; L29-L33 PolarHBondContact O-N 3.41Å; R30-L33 PolarHBondContact O-N 3.21Å; T31-L33 PolarHBondContact O-N 3.2Å; L33-Q36 PolarHBondContact O-N 2.81Å; L33-N37 WeakPolarHBondContact O-CB 3.47Å; L33-N37 PolarHBondContact O-N 2.93Å; L33-N37 PolarHBondContact O-ND2 3.34Å; L33-N37 VanDerWaalsContact O-ND2 3.15Å; L33-L112 HydrophobicContact CD1-CB 3.87Å; L33-K113 HydrophobicContact CD1-CG 4.41Å; L33-I164 HydrophobicContact CB-CB 4.19Å; L33-I164 HydrophobicContact CB-CG2 4.01Å; L33-I164 HydrophobicContact CD1-CD1 4.34Å; L33-I164 HydrophobicContact CD1-CG2 4.43Å
34L92.6Very high90.3Very high54 Ų5462.1 Ų62.128%0.28335%0.35SS..Hα-helixtrans-60-48.1175.2178.863.2000111.1R30 T31 Q36 N37 L38R30-L34 VanDerWaalsContact O-CB 3.27Å; R30-L34 WeakPolarHBondContact O-CB 3.46Å; R30-L34 PolarHBondContact O-N 3.28Å; T31-L34 PolarHBondContact O-N 2.61Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 2.84Å; L34-N37 PolarHBondContact O-N 3.49Å; L34-L38 HydrophobicContact CD1-CD1 3.97Å; L34-L38 HydrophobicContact CD1-CG 4.05Å; L34-L38 HydrophobicContact CG-CD1 3.93Å; L34-L38 HydrophobicContact CG-CG 4.37Å; L34-L38 WeakPolarHBondContact O-CB 3.29Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.46Å; L34-L38 PolarHBondContact O-N 2.74Å
35E92.2Very high90.2Very high128 Ų12861.7 Ų61.760%0.59835%0.346SS*.Hα-helixtrans-58.2-44.2177.6-74.7176.3-176.700111.9T31 L38 A39T31-E35 WeakPolarHBondContact O-CG 3.4Å; T31-E35 PolarHBondContact O-N 2.87Å; E35-L38 PolarHBondContact O-N 3.44Å; E35-A39 VanDerWaalsContact O-CB 3.25Å; E35-A39 WeakPolarHBondContact O-CB 3.33Å; E35-A39 PolarHBondContact O-N 2.88Å
36Q93.5Very high89.8Confident82 Ų8261.7 Ų61.738%0.38335%0.35SS..Hα-helixtrans-64.4-41.5176.9-66.6170.82.800112.3T32 L33 L34 A39 I40T32-Q36 VanDerWaalsContact O-CG 3.26Å; T32-Q36 WeakPolarHBondContact O-CG 3.19Å; T32-Q36 PolarHBondContact O-N 3.38Å; T32-Q36 VanDerWaalsContact O-N 3.16Å; L33-Q36 PolarHBondContact O-N 2.81Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 2.84Å; Q36-A39 PolarHBondContact O-N 2.97Å; Q36-I40 PolarHBondContact O-N 3.37Å
37N92.8Very high89.5Confident1 Ų165.9 Ų65.91%0.00538%0.376CS..Hα-helixtrans-72-29.3-180-68-21.2000112.9L33 L34 I40 S116 Y119 Q120 I164L33-N37 WeakPolarHBondContact O-CB 3.47Å; L33-N37 PolarHBondContact O-N 2.93Å; L33-N37 PolarHBondContact O-ND2 3.34Å; L33-N37 VanDerWaalsContact O-ND2 3.15Å; L34-N37 PolarHBondContact O-N 3.49Å; N37-I40 WeakPolarHBondContact O-CG2 3.37Å; N37-S116 PolarHBondContact ND2-OG 3.16Å; N37-S116 VanDerWaalsContact ND2-OG 3.15Å; N37-S116 PolarHBondContact OD1-OG 3.29Å; N37-Y119 HydrophobicContact CB-CD1 3.9Å; N37-Y119 HydrophobicContact CB-CE1 3.93Å; N37-Q120 WeakPolarHBondContact OD1-CG 3.49Å; N37-Q120 PolarHBondContact OD1-NE2 3.5Å; N37-I164 PolarHBondContact ND2-O 2.92Å
38L89.5Confident89.3Confident104 Ų10468.2 Ų68.255%0.54540%0.399SS..Hα-helixtrans-75.7-39.8171.6-68.7176.5000111.3L34 E35 I40 A41L34-L38 HydrophobicContact CD1-CD1 3.97Å; L34-L38 HydrophobicContact CD1-CG 4.05Å; L34-L38 HydrophobicContact CG-CD1 3.93Å; L34-L38 HydrophobicContact CG-CG 4.37Å; L34-L38 WeakPolarHBondContact O-CB 3.29Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.46Å; L34-L38 PolarHBondContact O-N 2.74Å; E35-L38 PolarHBondContact O-N 3.44Å; L38-I40 VanDerWaalsContact C-N 3.29Å; L38-I40 PolarHBondContact O-N 3.45Å; L38-A41 VanDerWaalsContact O-CB 3.29Å; L38-A41 WeakPolarHBondContact O-CB 3.31Å; L38-A41 PolarHBondContact O-N 3.49Å
39A89.8Confident89.2Confident68 Ų6868.2 Ų68.256%0.56239%0.39SS*.Hα-helixtrans-64.5-30.6-17800000113.8E35 Q36 A41E35-A39 VanDerWaalsContact O-CB 3.25Å; E35-A39 WeakPolarHBondContact O-CB 3.33Å; E35-A39 PolarHBondContact O-N 2.88Å; Q36-A39 PolarHBondContact O-N 2.97Å; A39-A41 VanDerWaalsContact C-N 3.33Å
40I87.4Confident89Confident36 Ų3667.4 Ų67.419%0.18539%0.385CS..THydrogen-bonded Turntrans-81-10.6179.8-156.363.2000113.5Q36 N37 L38 G42 K43 Y119 Q120Q36-I40 PolarHBondContact O-N 3.37Å; N37-I40 WeakPolarHBondContact O-CG2 3.37Å; L38-I40 VanDerWaalsContact C-N 3.29Å; L38-I40 PolarHBondContact O-N 3.45Å; I40-G42 PolarHBondContact O-N 3.02Å; I40-K43 VanDerWaalsContact CD1-O 3.25Å; I40-K43 WeakPolarHBondContact CD1-O 3.43Å; I40-K43 PolarHBondContact O-N 3.42Å; I40-Y119 HydrophobicContact CG2-CD1 4.49Å; I40-Y119 HydrophobicContact CG2-CE1 4.39Å; I40-Q120 HydrophobicContact CB-CG 4.34Å; I40-Q120 HydrophobicContact CG1-CB 4.32Å; I40-Q120 WeakPolarHBondContact CG1-O 3.42Å; I40-Q120 HydrophobicContact CG2-CB 4.43Å; I40-Q120 HydrophobicContact CG2-CG 4.02Å
41A76.6Confident88.9Confident44 Ų4472.9 Ų72.936%0.36442%0.419SS..THydrogen-bonded Turntrans-56.3113.2-175.800000111.9L38 A39 K43 R168L38-A41 VanDerWaalsContact O-CB 3.29Å; L38-A41 WeakPolarHBondContact O-CB 3.31Å; L38-A41 PolarHBondContact O-N 3.49Å; A39-A41 VanDerWaalsContact C-N 3.33Å; A41-K43 VanDerWaalsContact C-N 3.34Å; A41-R168 VanDerWaalsContact CA-NH2 3.33Å
42G78.3Confident88.8Confident67 Ų6778.5 Ų78.569%0.69144%0.438SS*.THydrogen-bonded Turntrans82.54.8-177.900000115I40I40-G42 PolarHBondContact O-N 3.02Å
43K86.5Confident88.6Confident157 Ų15778.3 Ų78.368%0.68343%0.432SS*.  trans-126.935.3-177.5-59.6179-175.7170.60112.1I40 A41I40-K43 VanDerWaalsContact CD1-O 3.25Å; I40-K43 WeakPolarHBondContact CD1-O 3.43Å; I40-K43 PolarHBondContact O-N 3.42Å; A41-K43 VanDerWaalsContact C-N 3.34Å
44W88.9Confident88.5Confident53 Ų5379.8 Ų79.820%0.20144%0.44CS..PPolyproline II helixtrans-64.5151.7176.7-74.5-86.1000111.3D46 Y119W44-D46 PolarHBondContact O-N 3.4Å; W44-Y119 PolarHBondContact NE1-O 3.49Å
45P88.6Confident88.4Confident40 Ų4081.1 Ų81.126%0.2645%0.454SS..PPolyproline II helixtrans-57.8135.9178.2-21.932000112.6F49 F50P45-F49 HydrophobicContact CB-CB 3.62Å; P45-F49 HydrophobicContact CB-CD1 3.51Å; P45-F49 HydrophobicContact CB-CD2 4.18Å; P45-F49 HydrophobicContact CB-CE1 4.18Å; P45-F49 HydrophobicContact CB-CG 3.51Å; P45-F49 HydrophobicContact CG-CD1 4.06Å; P45-F49 HydrophobicContact CG-CE1 4.23Å; P45-F49 HydrophobicContact CG-CG 4.28Å; P45-F50 HydrophobicContact CB-CE2 4.3Å; P45-F50 HydrophobicContact CB-CZ 4.48Å; P45-F50 WeakPolarHBondContact O-CE2 3.28Å
46D85.1Confident88.5Confident133 Ų13378.4 Ų78.471%0.71145%0.446SS*.PPolyproline II helixtrans-76.5169.4174.3-61.6-39.5000112.1W44 A48 F49W44-D46 PolarHBondContact O-N 3.4Å; D46-A48 PolarHBondContact O-N 3Å; D46-F49 VanDerWaalsContact O-CB 3.27Å; D46-F49 WeakPolarHBondContact O-CB 3.46Å; D46-F49 PolarHBondContact O-N 2.98Å
47D83.6Confident88.4Confident133 Ų13379.7 Ų79.771%0.71146%0.455SS*.Hα-helixtrans-49.7-33.1180-72.1-21.4000114.3F49 F50 V51D47-F49 PolarHBondContact O-N 3.37Å; D47-F50 PolarHBondContact O-N 2.94Å; D47-V51 WeakPolarHBondContact O-CG2 3.22Å; D47-V51 PolarHBondContact O-N 3.4Å; D47-V51 VanDerWaalsContact O-N 3.09Å
48A88.2Confident88.3Confident75 Ų7588.1 Ų88.162%0.6249%0.491SS*.Hα-helixtrans-60.9-28.8177.400000113.6D46D46-A48 PolarHBondContact O-N 3Å
49F90.8Very high88.5Confident72 Ų7288.3 Ų88.332%0.31649%0.488SS..Hα-helixtrans-68.1-44.1172.9173.5-95.6000111P45 D46 D47 K52 R121P45-F49 HydrophobicContact CB-CB 3.62Å; P45-F49 HydrophobicContact CB-CD1 3.51Å; P45-F49 HydrophobicContact CB-CD2 4.18Å; P45-F49 HydrophobicContact CB-CE1 4.18Å; P45-F49 HydrophobicContact CB-CG 3.51Å; P45-F49 HydrophobicContact CG-CD1 4.06Å; P45-F49 HydrophobicContact CG-CE1 4.23Å; P45-F49 HydrophobicContact CG-CG 4.28Å; D46-F49 VanDerWaalsContact O-CB 3.27Å; D46-F49 WeakPolarHBondContact O-CB 3.46Å; D46-F49 PolarHBondContact O-N 2.98Å; D47-F49 PolarHBondContact O-N 3.37Å; F49-K52 PolarHBondContact O-N 3.48Å; F49-R121 HydrophobicContact CE1-CG 4.06Å
50F90.8Very high88.7Confident21 Ų2185.1 Ų85.19%0.09246%0.461CS..Hα-helixtrans-73.2-29.5-174.9-68.3-69.4000113.9P45 D47 K52 K53 N86 R121 Y122P45-F50 HydrophobicContact CB-CE2 4.3Å; P45-F50 HydrophobicContact CB-CZ 4.48Å; P45-F50 WeakPolarHBondContact O-CE2 3.28Å; D47-F50 PolarHBondContact O-N 2.94Å; F50-K52 PolarHBondContact O-N 3.05Å; F50-K53 PolarHBondContact O-N 3.25Å; F50-K53 VanDerWaalsContact O-N 3.15Å; F50-N86 PolarHBondContact O-ND2 3.46Å; F50-N86 VanDerWaalsContact O-ND2 3.11Å; F50-R121 HydrophobicContact CE1-CG 3.84Å; F50-R121 HydrophobicContact CZ-CG 4.13Å; F50-R121 WeakPolarHBondContact CZ-O 3.32Å; F50-Y122 HydrophobicContact CD1-CE1 4.17Å; F50-Y122 AromaticContact CE1-CD1 3.91Å; F50-Y122 HydrophobicContact CE1-CD1 3.91Å; F50-Y122 AromaticContact CE1-CE1 3.32Å; F50-Y122 HydrophobicContact CE1-CE1 3.32Å; F50-Y122 AromaticContact CE1-CZ 3.99Å; F50-Y122 HydrophobicContact CZ-CD1 4.02Å; F50-Y122 AromaticContact CZ-CE1 3.92Å; F50-Y122 HydrophobicContact CZ-CE1 3.92Å
51V89.4Confident89Confident123 Ų12386.8 Ų86.875%0.74547%0.473SS*.Hα-helixtrans-61.5-28.8177172.70000112.3D47 K53D47-V51 WeakPolarHBondContact O-CG2 3.22Å; D47-V51 PolarHBondContact O-N 3.4Å; D47-V51 VanDerWaalsContact O-N 3.09Å; V51-K53 VanDerWaalsContact C-N 3.32Å
52K89.8Confident89.8Confident188 Ų18886.7 Ų86.782%0.81747%0.472SS*.THydrogen-bonded Turntrans-82.3-7.4179.6-63.1179.5-176.6176.20113.9F49 F50F49-K52 PolarHBondContact O-N 3.48Å; F50-K52 PolarHBondContact O-N 3.05Å
53K91.8Very high90.7Very high55 Ų5583.5 Ų83.524%0.23944%0.439CS..SBendtrans-103.5155.4-174.2-61.4-69.4-174.1176.70110.3F50 V51 S55 E83 N86F50-K53 PolarHBondContact O-N 3.25Å; F50-K53 VanDerWaalsContact O-N 3.15Å; V51-K53 VanDerWaalsContact C-N 3.32Å; K53-S55 PolarHBondContact O-N 3.44Å; K53-E83 WeakPolarHBondContact CD-O 3.28Å; K53-E83 WeakPolarHBondContact CE-O 3.42Å; K53-E83 PolarHBondContact NZ-O 2.89Å; K53-N86 HydrophobicContact CB-CB 3.81Å
54D92Very high91.1Very high42 Ų4276.5 Ų76.523%0.22541%0.41CS..BIsolated β-bridgetrans-79113.7-173.8-171.1-22.9000111.2T56 K59 S84 L85 N86D54-T56 WeakPolarHBondContact OD1-CB 3.45Å; D54-T56 PolarHBondContact OD1-N 3.44Å; D54-T56 PolarHBondContact OD1-OG1 2.83Å; D54-K59 VanDerWaalsContact OD2-CD 3.25Å; D54-K59 WeakPolarHBondContact OD2-CD 3.45Å; D54-K59 WeakPolarHBondContact OD2-CE 3.18Å; D54-K59 IonicContact OD2-NZ 2.78Å; D54-K59 PolarHBondContact OD2-NZ 3.12Å; D54-S84 PolarHBondContact N-O 3Å; D54-L85 HydrophobicContact CB-CD2 4.25Å; D54-N86 PolarHBondContact O-N 3.42Å
55S91.3Very high91.3Very high82 Ų8280.9 Ų80.957%0.57343%0.43SS*.  trans-97.517.4178.367.60000113.7K53 L57K53-S55 PolarHBondContact O-N 3.44Å; S55-L57 PolarHBondContact O-N 2.82Å
56T93.5Very high91.6Very high70 Ų7082 Ų8243%0.42943%0.431SS..  trans-64.3121.2-177.3-57.60000110.9D54 K58 K59 N60D54-T56 WeakPolarHBondContact OD1-CB 3.45Å; D54-T56 PolarHBondContact OD1-N 3.44Å; D54-T56 PolarHBondContact OD1-OG1 2.83Å; T56-K58 VanDerWaalsContact C-N 3.28Å; T56-K58 HydrophobicContact CG2-CB 4.25Å; T56-K58 PolarHBondContact O-N 2.68Å; T56-K58 VanDerWaalsContact O-N 3.16Å; T56-K59 PolarHBondContact O-N 3.26Å; T56-N60 PolarHBondContact O-N 3.31Å
57L91.1Very high92.1Very high110 Ų11075.7 Ų75.758%0.57640%0.398SS*.Hα-helixtrans-44.3-50.2176.9168.764.2000112.3S55 K59 N60 T61 Y90S55-L57 PolarHBondContact O-N 2.82Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 2.98Å; L57-N60 PolarHBondContact O-N 3.5Å; L57-T61 WeakPolarHBondContact CD1-OG1 3.38Å; L57-T61 WeakPolarHBondContact O-CB 3.39Å; L57-T61 PolarHBondContact O-N 2.87Å; L57-T61 PolarHBondContact O-OG1 3.14Å; L57-Y90 HydrophobicContact CD1-CE1 4.29Å; L57-Y90 WeakPolarHBondContact CD1-OH 3.01Å
58K92.2Very high92.7Very high178 Ų17874.1 Ų74.177%0.77438%0.382SS*.Hα-helixtrans-57.7-41.5-178-171.8178-179.4-179.60113.1T56 A62T56-K58 VanDerWaalsContact C-N 3.28Å; T56-K58 HydrophobicContact CG2-CB 4.25Å; T56-K58 PolarHBondContact O-N 2.68Å; T56-K58 VanDerWaalsContact O-N 3.16Å; K58-A62 WeakPolarHBondContact O-CB 3.31Å; K58-A62 PolarHBondContact O-N 2.89Å; K58-A62 VanDerWaalsContact O-N 3.16Å
59K93.4Very high92.9Very high107 Ų10775.4 Ų75.447%0.46538%0.378SS..Hα-helixtrans-76.2-42-179.4-67.6-172.8-178.2173.90111.4D54 T56 L57 A62 F63 L85D54-K59 VanDerWaalsContact OD2-CD 3.25Å; D54-K59 WeakPolarHBondContact OD2-CD 3.45Å; D54-K59 WeakPolarHBondContact OD2-CE 3.18Å; D54-K59 IonicContact OD2-NZ 2.78Å; D54-K59 PolarHBondContact OD2-NZ 3.12Å; T56-K59 PolarHBondContact O-N 3.26Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 2.98Å; K59-A62 PolarHBondContact O-N 3.46Å; K59-F63 WeakPolarHBondContact O-CB 3.49Å; K59-F63 PolarHBondContact O-N 3Å; K59-L85 HydrophobicContact CB-CD2 3.59Å; K59-L85 HydrophobicContact CD-CD2 4.1Å
60N94Very high92.9Very high2 Ų273 Ų731%0.01137%0.368CS..Hα-helixtrans-63.4-46.9177.4-74-19.5000112.5T56 L57 A62 F63 V64 N86 L87 Y90T56-N60 PolarHBondContact O-N 3.31Å; L57-N60 PolarHBondContact O-N 3.5Å; N60-A62 VanDerWaalsContact C-N 3.31Å; N60-A62 PolarHBondContact O-N 2.85Å; N60-F63 WeakPolarHBondContact O-CB 3.38Å; N60-F63 PolarHBondContact O-N 2.96Å; N60-V64 WeakPolarHBondContact O-CG2 3.41Å; N60-V64 PolarHBondContact O-N 3.39Å; N60-N86 PolarHBondContact ND2-O 3.48Å; N60-N86 PolarHBondContact OD1-O 3.43Å; N60-L87 HydrophobicContact CB-CD2 4.13Å; N60-L87 WeakPolarHBondContact OD1-CD2 3.48Å; N60-Y90 HydrophobicContact CB-CD2 3.61Å; N60-Y90 HydrophobicContact CB-CE2 3.61Å; N60-Y90 HydrophobicContact CB-CG 4.12Å
61T93.1Very high92.9Very high70 Ų7076.5 Ų76.543%0.42939%0.386SS..Hα-helixtrans-64.8-35.1175.4-48.90000111.9L57 K65L57-T61 WeakPolarHBondContact CD1-OG1 3.38Å; L57-T61 WeakPolarHBondContact O-CB 3.39Å; L57-T61 PolarHBondContact O-N 2.87Å; L57-T61 PolarHBondContact O-OG1 3.14Å; T61-K65 WeakPolarHBondContact O-CB 3.47Å; T61-K65 PolarHBondContact O-N 3.18Å
62A93.8Very high92.7Very high42 Ų4275.3 Ų75.335%0.34738%0.376SS..Hα-helixtrans-65.2-41.4174.300000111.8K58 K59 N60 K65 K66K58-A62 WeakPolarHBondContact O-CB 3.31Å; K58-A62 PolarHBondContact O-N 2.89Å; K58-A62 VanDerWaalsContact O-N 3.16Å; K59-A62 PolarHBondContact O-N 3.46Å; N60-A62 VanDerWaalsContact C-N 3.31Å; N60-A62 PolarHBondContact O-N 2.85Å; A62-K65 PolarHBondContact O-N 3.28Å; A62-K66 WeakPolarHBondContact O-CG 3.35Å; A62-K66 PolarHBondContact O-N 3.1Å
63F96.3Very high92.7Very high0 Ų071 Ų710%037%0.37CS..Hα-helixtrans-60.1-51.3174.8-179.7-96.2000111.5K59 N60 K65 K66 V67 L78 E81 F82 L85 L87 V94 L114K59-F63 WeakPolarHBondContact O-CB 3.49Å; K59-F63 PolarHBondContact O-N 3Å; N60-F63 WeakPolarHBondContact O-CB 3.38Å; N60-F63 PolarHBondContact O-N 2.96Å; F63-K65 VanDerWaalsContact C-N 3.26Å; F63-K65 PolarHBondContact O-N 3.43Å; F63-K66 PolarHBondContact O-N 3.15Å; F63-K66 VanDerWaalsContact O-N 3.1Å; F63-V67 HydrophobicContact CD1-CG2 4.26Å; F63-V67 HydrophobicContact CE1-CG2 3.85Å; F63-V67 HydrophobicContact CE2-CG2 4.39Å; F63-V67 HydrophobicContact CZ-CG2 3.92Å; F63-V67 WeakPolarHBondContact O-CG2 3.46Å; F63-V67 PolarHBondContact O-N 3.29Å; F63-L78 HydrophobicContact CD2-CD2 4.07Å; F63-L78 HydrophobicContact CE2-CD2 3.85Å; F63-L78 WeakPolarHBondContact CE2-O 3.39Å; F63-E81 HydrophobicContact CD2-CB 4Å; F63-E81 HydrophobicContact CE2-CB 4.38Å; F63-F82 HydrophobicContact CE2-CB 3.95Å; F63-F82 HydrophobicContact CZ-CB 3.96Å; F63-F82 HydrophobicContact CZ-CD2 4.25Å; F63-L85 HydrophobicContact CB-CD1 3.66Å; F63-L85 HydrophobicContact CD2-CD1 4Å; F63-L85 HydrophobicContact CG-CD1 3.89Å; F63-L87 HydrophobicContact CD1-CD1 3.78Å; F63-L87 HydrophobicContact CD1-CD2 3.86Å; F63-L87 HydrophobicContact CD1-CG 4.5Å; F63-L87 HydrophobicContact CE1-CD1 3.54Å; F63-L87 HydrophobicContact CE1-CD2 4.48Å; F63-L87 HydrophobicContact CG-CD2 4.47Å; F63-L87 HydrophobicContact CZ-CD1 4.28Å; F63-V94 HydrophobicContact CD1-CG2 4.2Å; F63-V94 HydrophobicContact CE1-CG1 4.32Å; F63-V94 HydrophobicContact CE1-CG2 4.17Å; F63-L114 HydrophobicContact CZ-CD1 4.33Å
64V95.8Very high92.5Very high11 Ų1171.1 Ų71.17%0.06737%0.371CS..Hα-helixtrans-54-43.9175.2174.70000111.2N60 V67 R68 E93 V94 A97N60-V64 WeakPolarHBondContact O-CG2 3.41Å; N60-V64 PolarHBondContact O-N 3.39Å; V64-V67 PolarHBondContact O-N 3.31Å; V64-R68 PolarHBondContact O-N 3.32Å; V64-E93 HydrophobicContact CG1-CB 4.05Å; V64-E93 HydrophobicContact CG2-CB 4.25Å; V64-V94 HydrophobicContact CG2-CG2 3.68Å; V64-A97 HydrophobicContact CG1-CB 4.09Å
65K94Very high92.4Very high145 Ų14571.1 Ų71.163%0.6337%0.369SS*.Hα-helixtrans-66.3-37.3179.6-171.6177.5-180179.70113.1T61 A62 F63 N69T61-K65 WeakPolarHBondContact O-CB 3.47Å; T61-K65 PolarHBondContact O-N 3.18Å; A62-K65 PolarHBondContact O-N 3.28Å; F63-K65 VanDerWaalsContact C-N 3.26Å; F63-K65 PolarHBondContact O-N 3.43Å; K65-N69 WeakPolarHBondContact O-CB 3.45Å; K65-N69 PolarHBondContact O-N 3.3Å; K65-N69 PolarHBondContact O-ND2 2.87Å
66K94.3Very high92.3Very high63 Ų6373.9 Ų73.927%0.27438%0.377SS..Hα-helixtrans-68.4-40.6175.6-73.5176.7-179.9170.10111.7A62 F63 N69 F70 L78 E81A62-K66 WeakPolarHBondContact O-CG 3.35Å; A62-K66 PolarHBondContact O-N 3.1Å; F63-K66 PolarHBondContact O-N 3.15Å; F63-K66 VanDerWaalsContact O-N 3.1Å; K66-N69 CarbonylContact O-C 3.36Å; K66-N69 PolarHBondContact O-N 3.41Å; K66-F70 WeakPolarHBondContact O-CA 3.37Å; K66-F70 PolarHBondContact O-N 3.01Å; K66-L78 HydrophobicContact CB-CD2 3.79Å; K66-L78 HydrophobicContact CD-CD2 4.43Å; K66-E81 IonicContact NZ-OE1 3.73Å; K66-E81 PolarHBondContact NZ-OE1 3.26Å; K66-E81 IonicContact NZ-OE2 2.91Å; K66-E81 PolarHBondContact NZ-OE2 2.88Å
67V95.7Very high92.1Very high1 Ų172.5 Ų72.51%0.00637%0.373CS..Hα-helixtrans-62.9-47.4174.81740000110.8F63 V64 N69 F70 L78 A97 I98 L114F63-V67 HydrophobicContact CD1-CG2 4.26Å; F63-V67 HydrophobicContact CE1-CG2 3.85Å; F63-V67 HydrophobicContact CE2-CG2 4.39Å; F63-V67 HydrophobicContact CZ-CG2 3.92Å; F63-V67 WeakPolarHBondContact O-CG2 3.46Å; F63-V67 PolarHBondContact O-N 3.29Å; V64-V67 PolarHBondContact O-N 3.31Å; V67-N69 VanDerWaalsContact C-N 3.34Å; V67-N69 PolarHBondContact O-N 3.06Å; V67-F70 PolarHBondContact O-N 3.03Å; V67-L78 HydrophobicContact CG2-CD2 3.93Å; V67-A97 HydrophobicContact CB-CB 4.37Å; V67-A97 HydrophobicContact CG1-CB 4.08Å; V67-I98 HydrophobicContact CG1-CB 4.47Å; V67-I98 HydrophobicContact CG1-CG1 3.5Å; V67-L114 HydrophobicContact CG2-CD2 4.35Å
68R95.1Very high92.2Very high100 Ų10067.3 Ų67.338%0.37735%0.346SS..Hα-helixtrans-61.5-40.9178.1-169.5178.6-64.3173.10.1112.7V64 A97 E100V64-R68 PolarHBondContact O-N 3.32Å; R68-A97 HydrophobicContact CB-CB 3.81Å; R68-A97 HydrophobicContact CG-CB 4.49Å; R68-E100 WeakPolarHBondContact CD-OE2 3.45Å; R68-E100 HydrophobicContact CG-CB 4.38Å; R68-E100 IonicContact CZ-OE2 3.42Å; R68-E100 IonicContact NE-OE2 2.65Å; R68-E100 PolarHBondContact NE-OE2 3.4Å
69N92.7Very high92.2Very high101 Ų10161.4 Ų61.454%0.5432%0.323SS..THydrogen-bonded Turntrans-104.455.4178-56.9-70000110.4K65 K66 V67 L71K65-N69 WeakPolarHBondContact O-CB 3.45Å; K65-N69 PolarHBondContact O-N 3.3Å; K65-N69 PolarHBondContact O-ND2 2.87Å; K66-N69 CarbonylContact O-C 3.36Å; K66-N69 PolarHBondContact O-N 3.41Å; V67-N69 VanDerWaalsContact C-N 3.34Å; V67-N69 PolarHBondContact O-N 3.06Å; N69-L71 PolarHBondContact O-N 3.16Å
70F92Very high92.1Very high23 Ų2360.2 Ų60.210%0.10133%0.328CS..  trans-53.2134.7-174.6-179-102.8000112.5K66 V67 K75 L78 A101 I103 D107 F110 M111K66-F70 WeakPolarHBondContact O-CA 3.37Å; K66-F70 PolarHBondContact O-N 3.01Å; V67-F70 PolarHBondContact O-N 3.03Å; F70-K75 HydrophobicContact CE2-CG 4.21Å; F70-K75 HydrophobicContact CZ-CD 4.38Å; F70-K75 HydrophobicContact CZ-CG 3.8Å; F70-L78 HydrophobicContact CD2-CD1 3.88Å; F70-L78 HydrophobicContact CE2-CD1 3.91Å; F70-A101 HydrophobicContact CB-CB 4.41Å; F70-I103 HydrophobicContact CB-CG2 4.44Å; F70-I103 HydrophobicContact CD1-CG2 4.02Å; F70-I103 HydrophobicContact CG-CG2 4.33Å; F70-D107 HydrophobicContact CE1-CB 3.89Å; F70-D107 HydrophobicContact CZ-CB 4.47Å; F70-F110 HydrophobicContact CD2-CE1 4.37Å; F70-F110 AromaticContact CE2-CD1 3.66Å; F70-F110 HydrophobicContact CE2-CD1 3.66Å; F70-F110 AromaticContact CE2-CE1 3.42Å; F70-F110 HydrophobicContact CE2-CE1 3.42Å; F70-F110 VanDerWaalsContact CE2-CE1 3.42Å; F70-F110 HydrophobicContact CE2-CZ 4.35Å; F70-F110 AromaticContact CZ-CD1 3.76Å; F70-F110 HydrophobicContact CZ-CD1 3.76Å; F70-F110 HydrophobicContact CZ-CE1 4.01Å; F70-M111 HydrophobicContact CD2-SD 4.36Å; F70-M111 HydrophobicContact CE2-SD 4.38Å
71L89.1Confident92.1Very high93 Ų9362.4 Ų62.449%0.48734%0.338SS..  trans-134135.2174.5-168.666.5000109.6N69 S73 Q74N69-L71 PolarHBondContact O-N 3.16Å; L71-S73 WeakPolarHBondContact CD2-OG 3.07Å; L71-S73 PolarHBondContact O-N 3.22Å; L71-Q74 HydrophobicContact CB-CG 4.26Å; L71-Q74 WeakPolarHBondContact O-CB 3.33Å; L71-Q74 PolarHBondContact O-N 3.04Å
72D86.4Confident92.1Very high98 Ų9859.2 Ų59.252%0.52432%0.318SS..G310 helixtrans-55.3-37.1-175.4-170.535.5000113.4Q74 K75D72-Q74 PolarHBondContact O-N 2.96Å; D72-Q74 VanDerWaalsContact O-N 3.11Å; D72-K75 WeakPolarHBondContact O-CG 3.4Å; D72-K75 PolarHBondContact O-N 2.77Å; D72-K75 VanDerWaalsContact OD1-CD 3.32Å; D72-K75 WeakPolarHBondContact OD1-CD 3.4Å; D72-K75 WeakPolarHBondContact OD1-CE 3.36Å; D72-K75 IonicContact OD1-NZ 2.65Å; D72-K75 PolarHBondContact OD1-NZ 3.37Å
73S88.4Confident92.1Very high99 Ų9962 Ų6269%0.69232%0.324SS*.G310 helixtrans-67.2-10.3177.759.80000114.8L71L71-S73 WeakPolarHBondContact CD2-OG 3.07Å; L71-S73 PolarHBondContact O-N 3.22Å
74Q88.7Confident91.9Very high56 Ų5664.6 Ų64.626%0.26234%0.342SS..G310 helixtrans-102.34.6-177.1-59.7-177.62.100113.2L71 D72 D76 A77 L78L71-Q74 HydrophobicContact CB-CG 4.26Å; L71-Q74 WeakPolarHBondContact O-CB 3.33Å; L71-Q74 PolarHBondContact O-N 3.04Å; D72-Q74 PolarHBondContact O-N 2.96Å; D72-Q74 VanDerWaalsContact O-N 3.11Å; Q74-D76 PolarHBondContact O-N 3.2Å; Q74-A77 PolarHBondContact O-N 3.32Å; Q74-L78 HydrophobicContact CB-CD1 4.39Å; Q74-L78 HydrophobicContact CB-CG 4.4Å; Q74-L78 WeakPolarHBondContact O-CB 3.34Å; Q74-L78 VanDerWaalsContact O-CG 3.31Å; Q74-L78 WeakPolarHBondContact O-CG 3.42Å; Q74-L78 PolarHBondContact O-N 2.92Å
75K89.7Confident91.9Very high43 Ų4364.2 Ų64.219%0.18734%0.34CS..Hα-helixtrans-53.1-54.8-177.4-77176.9173.61660112.7F70 D72 L78 L79 D107 F110F70-K75 HydrophobicContact CE2-CG 4.21Å; F70-K75 HydrophobicContact CZ-CD 4.38Å; F70-K75 HydrophobicContact CZ-CG 3.8Å; D72-K75 WeakPolarHBondContact O-CG 3.4Å; D72-K75 PolarHBondContact O-N 2.77Å; D72-K75 VanDerWaalsContact OD1-CD 3.32Å; D72-K75 WeakPolarHBondContact OD1-CD 3.4Å; D72-K75 WeakPolarHBondContact OD1-CE 3.36Å; D72-K75 IonicContact OD1-NZ 2.65Å; D72-K75 PolarHBondContact OD1-NZ 3.37Å; K75-L78 PolarHBondContact O-N 3.44Å; K75-L79 PolarHBondContact O-N 3.46Å; K75-D107 WeakPolarHBondContact CE-OD1 3.17Å; K75-D107 IonicContact NZ-OD1 2.65Å; K75-D107 PolarHBondContact NZ-OD1 3.07Å; K75-F110 HydrophobicContact CB-CD2 3.73Å; K75-F110 HydrophobicContact CB-CE2 3.61Å; K75-F110 HydrophobicContact CB-CG 4.31Å; K75-F110 HydrophobicContact CB-CZ 4.13Å; K75-F110 HydrophobicContact CD-CB 4.13Å; K75-F110 HydrophobicContact CD-CD2 4.12Å; K75-F110 HydrophobicContact CD-CG 4Å; K75-F110 HydrophobicContact CG-CB 4.41Å; K75-F110 HydrophobicContact CG-CD1 3.99Å; K75-F110 HydrophobicContact CG-CD2 3.68Å; K75-F110 HydrophobicContact CG-CE1 4.22Å; K75-F110 HydrophobicContact CG-CE2 3.89Å; K75-F110 HydrophobicContact CG-CG 3.73Å; K75-F110 HydrophobicContact CG-CZ 4.16Å; K75-F110 WeakPolarHBondContact O-CE2 3.36Å; K75-F110 WeakPolarHBondContact O-CZ 3.43Å
76D88.6Confident91.9Very high139 Ų13958.4 Ų58.474%0.74332%0.316SS*.Hα-helixtrans-68.2-38.6-178.5-62-36.6000112.4Q74 L78 L79 S80Q74-D76 PolarHBondContact O-N 3.2Å; D76-L78 VanDerWaalsContact C-N 3.34Å; D76-L78 PolarHBondContact O-N 2.82Å; D76-L79 PolarHBondContact O-N 3.34Å; D76-S80 WeakPolarHBondContact O-CB 3.28Å; D76-S80 PolarHBondContact O-N 2.93Å
77A90.6Very high92Very high42 Ų4255.4 Ų55.435%0.34730%0.303SS..Hα-helixtrans-63.4-40.317700000111.7Q74 S80 E81Q74-A77 PolarHBondContact O-N 3.32Å; A77-S80 PolarHBondContact O-N 2.9Å; A77-E81 VanDerWaalsContact O-CB 3.28Å; A77-E81 WeakPolarHBondContact O-CB 3.43Å; A77-E81 VanDerWaalsContact O-CG 3.26Å; A77-E81 WeakPolarHBondContact O-CG 2.93Å; A77-E81 PolarHBondContact O-N 3.41Å
78L93.2Very high91.8Very high1 Ų157.9 Ų57.91%0.00532%0.32CS..Hα-helixtrans-63.6-45177.7-80.6170.9000111.8F63 K66 V67 F70 Q74 K75 D76 E81 F82 F110F63-L78 HydrophobicContact CD2-CD2 4.07Å; F63-L78 HydrophobicContact CE2-CD2 3.85Å; F63-L78 WeakPolarHBondContact CE2-O 3.39Å; K66-L78 HydrophobicContact CB-CD2 3.79Å; K66-L78 HydrophobicContact CD-CD2 4.43Å; V67-L78 HydrophobicContact CG2-CD2 3.93Å; F70-L78 HydrophobicContact CD2-CD1 3.88Å; F70-L78 HydrophobicContact CE2-CD1 3.91Å; Q74-L78 HydrophobicContact CB-CD1 4.39Å; Q74-L78 HydrophobicContact CB-CG 4.4Å; Q74-L78 WeakPolarHBondContact O-CB 3.34Å; Q74-L78 VanDerWaalsContact O-CG 3.31Å; Q74-L78 WeakPolarHBondContact O-CG 3.42Å; Q74-L78 PolarHBondContact O-N 2.92Å; K75-L78 PolarHBondContact O-N 3.44Å; D76-L78 VanDerWaalsContact C-N 3.34Å; D76-L78 PolarHBondContact O-N 2.82Å; L78-E81 PolarHBondContact O-N 3.44Å; L78-F82 VanDerWaalsContact O-CB 3.28Å; L78-F82 WeakPolarHBondContact O-CB 3.28Å; L78-F82 PolarHBondContact O-N 3.44Å; L78-F110 HydrophobicContact CB-CZ 4.03Å; L78-F110 HydrophobicContact CD1-CE1 4.26Å; L78-F110 HydrophobicContact CD1-CZ 4.2Å
79L91.5Very high91.6Very high53 Ų5361.7 Ų61.728%0.27734%0.339SS..Hα-helixtrans-65.4-42.2176.9-73.1172.1000111.7K75 D76 F82 E83 F110K75-L79 PolarHBondContact O-N 3.46Å; D76-L79 PolarHBondContact O-N 3.34Å; L79-F82 PolarHBondContact O-N 2.98Å; L79-E83 PolarHBondContact O-N 3.44Å; L79-F110 HydrophobicContact CD1-CD2 4.31Å; L79-F110 HydrophobicContact CD1-CE2 3.75Å; L79-F110 HydrophobicContact CD2-CE2 4.46Å; L79-F110 HydrophobicContact CG-CE2 3.75Å; L79-F110 HydrophobicContact CG-CZ 4.29Å
80S91.4Very high91.8Very high83 Ų8358.9 Ų58.958%0.5832%0.321SS*.Hα-helixtrans-65.4-40.2176.5-176.30000112.8D76 A77 E83 S84D76-S80 WeakPolarHBondContact O-CB 3.28Å; D76-S80 PolarHBondContact O-N 2.93Å; A77-S80 PolarHBondContact O-N 2.9Å; S80-E83 PolarHBondContact O-N 2.92Å; S80-S84 PolarHBondContact O-N 3.44Å
81E93.1Very high92Very high48 Ų4857.9 Ų57.922%0.22432%0.317CS..Hα-helixtrans-65.4-46.9176.5-78.8173-140.400110.2F63 K66 A77 L78 E83 S84 L85F63-E81 HydrophobicContact CD2-CB 4Å; F63-E81 HydrophobicContact CE2-CB 4.38Å; K66-E81 IonicContact NZ-OE1 3.73Å; K66-E81 PolarHBondContact NZ-OE1 3.26Å; K66-E81 IonicContact NZ-OE2 2.91Å; K66-E81 PolarHBondContact NZ-OE2 2.88Å; A77-E81 VanDerWaalsContact O-CB 3.28Å; A77-E81 WeakPolarHBondContact O-CB 3.43Å; A77-E81 VanDerWaalsContact O-CG 3.26Å; A77-E81 WeakPolarHBondContact O-CG 2.93Å; A77-E81 PolarHBondContact O-N 3.41Å; L78-E81 PolarHBondContact O-N 3.44Å; E81-E83 PolarHBondContact O-N 3.48Å; E81-S84 PolarHBondContact O-N 3.06Å; E81-S84 PolarHBondContact O-OG 3.31Å; E81-L85 HydrophobicContact CB-CD1 4.31Å; E81-L85 WeakPolarHBondContact O-CG 3.34Å; E81-L85 PolarHBondContact O-N 2.91Å; E81-L85 VanDerWaalsContact O-N 3.14Å
82F94.7Very high92.3Very high2 Ų258 Ų581%0.00932%0.316CS..Hα-helixtrans-52.2-44174.5172.4-100.1000111.6F63 L78 L79 S84 L85 L87 A117 M118 R121 Y122F63-F82 HydrophobicContact CE2-CB 3.95Å; F63-F82 HydrophobicContact CZ-CB 3.96Å; F63-F82 HydrophobicContact CZ-CD2 4.25Å; L78-F82 VanDerWaalsContact O-CB 3.28Å; L78-F82 WeakPolarHBondContact O-CB 3.28Å; L78-F82 PolarHBondContact O-N 3.44Å; L79-F82 PolarHBondContact O-N 2.98Å; F82-S84 PolarHBondContact O-N 2.99Å; F82-L85 PolarHBondContact O-N 2.67Å; F82-L87 HydrophobicContact CD2-CD1 3.96Å; F82-L87 HydrophobicContact CE2-CD1 4.3Å; F82-A117 HydrophobicContact CD1-CB 4.1Å; F82-A117 HydrophobicContact CE1-CB 3.51Å; F82-A117 HydrophobicContact CZ-CB 4Å; F82-A117 WeakPolarHBondContact CZ-O 3.44Å; F82-M118 HydrophobicContact CD2-SD 3.77Å; F82-M118 HydrophobicContact CE2-CG 4.05Å; F82-M118 HydrophobicContact CE2-SD 3.32Å; F82-M118 WeakPolarHBondContact CE2-SD 3.41Å; F82-M118 HydrophobicContact CZ-SD 4.34Å; F82-R121 HydrophobicContact CZ-CB 4.02Å; F82-R121 PolarHBondContact O-NH1 2.93Å; F82-Y122 HydrophobicContact CE2-CE2 4.08Å
83E92.8Very high92.8Very high100 Ų10057 Ų5747%0.46731%0.308SS..Hα-helixtrans-62-28.3178.9-77-53.2142.200114.2K53 L79 S80 E81 R121K53-E83 WeakPolarHBondContact CD-O 3.28Å; K53-E83 WeakPolarHBondContact CE-O 3.42Å; K53-E83 PolarHBondContact NZ-O 2.89Å; L79-E83 PolarHBondContact O-N 3.44Å; S80-E83 PolarHBondContact O-N 2.92Å; E81-E83 PolarHBondContact O-N 3.48Å; E83-R121 IonicContact OE1-NH2 3.88Å; E83-R121 PolarHBondContact OE1-NH2 3.49Å; E83-R121 IonicContact OE2-CZ 3.6Å; E83-R121 IonicContact OE2-NH2 3.23Å; E83-R121 PolarHBondContact OE2-NH2 3.4Å
84S92.9Very high93.2Very high55 Ų5552.3 Ų52.339%0.38528%0.275SS..Hα-helixtrans-90.7-22.4-178.570.50000114.7D54 S80 E81 F82D54-S84 PolarHBondContact N-O 3Å; S80-S84 PolarHBondContact O-N 3.44Å; E81-S84 PolarHBondContact O-N 3.06Å; E81-S84 PolarHBondContact O-OG 3.31Å; F82-S84 PolarHBondContact O-N 2.99Å
85L95.1Very high93.6Very high3 Ų349.7 Ų49.72%0.01626%0.262CS..BIsolated β-bridgetrans-94.1147.8-168-65.6172.8000113.8D54 K59 F63 E81 F82 L87 R121D54-L85 HydrophobicContact CB-CD2 4.25Å; K59-L85 HydrophobicContact CB-CD2 3.59Å; K59-L85 HydrophobicContact CD-CD2 4.1Å; F63-L85 HydrophobicContact CB-CD1 3.66Å; F63-L85 HydrophobicContact CD2-CD1 4Å; F63-L85 HydrophobicContact CG-CD1 3.89Å; E81-L85 HydrophobicContact CB-CD1 4.31Å; E81-L85 WeakPolarHBondContact O-CG 3.34Å; E81-L85 PolarHBondContact O-N 2.91Å; E81-L85 VanDerWaalsContact O-N 3.14Å; F82-L85 PolarHBondContact O-N 2.67Å; L85-L87 HydrophobicContact CB-CD2 4.35Å; L85-L87 HydrophobicContact CB-CG 4.24Å; L85-R121 PolarHBondContact O-NH1 2.91Å
86N94.4Very high93.9Very high24 Ų2449.3 Ų49.313%0.12826%0.264CS..  trans-101104165.9-177.6-10.5000109.3F50 K53 D54 N60 S88F50-N86 PolarHBondContact O-ND2 3.46Å; F50-N86 VanDerWaalsContact O-ND2 3.11Å; K53-N86 HydrophobicContact CB-CB 3.81Å; D54-N86 PolarHBondContact O-N 3.42Å; N60-N86 PolarHBondContact ND2-O 3.48Å; N60-N86 PolarHBondContact OD1-O 3.43Å; N86-S88 WeakPolarHBondContact OD1-CB 3.41Å; N86-S88 PolarHBondContact OD1-N 2.73Å; N86-S88 VanDerWaalsContact OD1-N 3.13Å; N86-S88 PolarHBondContact OD1-OG 2.77Å
87L95.3Very high94.3Very high0 Ų042.7 Ų42.70%023%0.228CC..  trans-100.813.4-177.2-57.7164.7000112.7N60 F63 F82 L85 K89 Y90 V91 V94 M118 Y122N60-L87 HydrophobicContact CB-CD2 4.13Å; N60-L87 WeakPolarHBondContact OD1-CD2 3.48Å; F63-L87 HydrophobicContact CD1-CD1 3.78Å; F63-L87 HydrophobicContact CD1-CD2 3.86Å; F63-L87 HydrophobicContact CD1-CG 4.5Å; F63-L87 HydrophobicContact CE1-CD1 3.54Å; F63-L87 HydrophobicContact CE1-CD2 4.48Å; F63-L87 HydrophobicContact CG-CD2 4.47Å; F63-L87 HydrophobicContact CZ-CD1 4.28Å; F82-L87 HydrophobicContact CD2-CD1 3.96Å; F82-L87 HydrophobicContact CE2-CD1 4.3Å; L85-L87 HydrophobicContact CB-CD2 4.35Å; L85-L87 HydrophobicContact CB-CG 4.24Å; L87-K89 PolarHBondContact O-N 3.32Å; L87-Y90 CarbonylContact O-C 3.52Å; L87-Y90 WeakPolarHBondContact O-CA 3.39Å; L87-Y90 PolarHBondContact O-N 2.55Å; L87-V91 VanDerWaalsContact O-CG2 3.29Å; L87-V91 WeakPolarHBondContact O-CG2 3.26Å; L87-V91 PolarHBondContact O-N 2.7Å; L87-V94 HydrophobicContact CD1-CG2 4.38Å; L87-M118 HydrophobicContact CD1-SD 4.01Å; L87-Y122 WeakPolarHBondContact CA-OH 3.34Å; L87-Y122 HydrophobicContact CB-CE1 4.44Å; L87-Y122 HydrophobicContact CB-CE2 4.05Å; L87-Y122 WeakPolarHBondContact CB-OH 3.32Å; L87-Y122 HydrophobicContact CD1-CE2 4.48Å; L87-Y122 PolarHBondContact N-OH 2.96Å
88S92.2Very high94.6Very high53 Ų5340.8 Ų40.837%0.37121%0.212SC..THydrogen-bonded Turntrans-55.9-28-175.2-56.20000113.8N86N86-S88 WeakPolarHBondContact OD1-CB 3.41Å; N86-S88 PolarHBondContact OD1-N 2.73Å; N86-S88 VanDerWaalsContact OD1-N 3.13Å; N86-S88 PolarHBondContact OD1-OG 2.77Å
89K91.8Very high94.6Very high180 Ų18041 Ų4178%0.78321%0.213SC*.THydrogen-bonded Turntrans-90.1-1.8175.9-63.7-174.6179.8-178.20114.7L87L87-K89 PolarHBondContact O-N 3.32Å
90Y95.5Very high94.7Very high41 Ų4143.4 Ų43.416%0.16122%0.224CC..SBendtrans-127.611.1-172.2-62.6-87000113L57 N60 L87 E92 E93 V94L57-Y90 HydrophobicContact CD1-CE1 4.29Å; L57-Y90 WeakPolarHBondContact CD1-OH 3.01Å; N60-Y90 HydrophobicContact CB-CD2 3.61Å; N60-Y90 HydrophobicContact CB-CE2 3.61Å; N60-Y90 HydrophobicContact CB-CG 4.12Å; L87-Y90 CarbonylContact O-C 3.52Å; L87-Y90 WeakPolarHBondContact O-CA 3.39Å; L87-Y90 PolarHBondContact O-N 2.55Å; Y90-E92 VanDerWaalsContact C-N 3.33Å; Y90-E92 PolarHBondContact O-N 3.43Å; Y90-E93 VanDerWaalsContact C-OE2 3.26Å; Y90-E93 WeakPolarHBondContact CA-OE2 3.42Å; Y90-E93 PolarHBondContact O-N 2.96Å; Y90-V94 VanDerWaalsContact O-CG2 3.31Å; Y90-V94 WeakPolarHBondContact O-CG2 3.17Å; Y90-V94 PolarHBondContact O-N 3.06Å
91V95.9Very high94.8Very high3 Ų339.5 Ų39.52%0.01820%0.196CC..Hα-helixtrans-61.6-42-172.9-176.10000111.1L87 V94 A95 M118 Y122 F125 L128L87-V91 VanDerWaalsContact O-CG2 3.29Å; L87-V91 WeakPolarHBondContact O-CG2 3.26Å; L87-V91 PolarHBondContact O-N 2.7Å; V91-V94 PolarHBondContact O-N 2.65Å; V91-A95 WeakPolarHBondContact O-CB 3.31Å; V91-A95 PolarHBondContact O-N 3.37Å; V91-M118 HydrophobicContact CG1-CE 4.48Å; V91-Y122 HydrophobicContact CG2-CD1 3.84Å; V91-Y122 HydrophobicContact CG2-CD2 4.35Å; V91-Y122 HydrophobicContact CG2-CE1 4.37Å; V91-Y122 HydrophobicContact CG2-CG 3.84Å; V91-F125 HydrophobicContact CG1-CB 3.75Å; V91-F125 HydrophobicContact CG1-CD2 3.87Å; V91-F125 HydrophobicContact CG1-CG 4.32Å; V91-L128 HydrophobicContact CB-CD1 4.1Å; V91-L128 HydrophobicContact CG1-CD1 3.91Å
92E96.6Very high94.7Very high96 Ų9645 Ų4545%0.44922%0.219SC..Hα-helixtrans-65.8-41.3176.9-170.8177.1-178.100111.7Y90 A95 T96 L128Y90-E92 VanDerWaalsContact C-N 3.33Å; Y90-E92 PolarHBondContact O-N 3.43Å; E92-A95 PolarHBondContact O-N 2.84Å; E92-T96 WeakPolarHBondContact O-CG2 3.44Å; E92-T96 PolarHBondContact O-N 3.3Å; E92-T96 PolarHBondContact O-OG1 3.09Å; E92-L128 HydrophobicContact CB-CD1 4.18Å; E92-L128 HydrophobicContact CB-CD2 4.38Å; E92-L128 HydrophobicContact CG-CD2 4.33Å
93E96.3Very high94.5Very high77 Ų7745.8 Ų45.836%0.3622%0.223SC..Hα-helixtrans-67.7-35.3177.8-64.793.1143.400112.4V64 Y90 T96 A97V64-E93 HydrophobicContact CG1-CB 4.05Å; V64-E93 HydrophobicContact CG2-CB 4.25Å; Y90-E93 VanDerWaalsContact C-OE2 3.26Å; Y90-E93 WeakPolarHBondContact CA-OE2 3.42Å; Y90-E93 PolarHBondContact O-N 2.96Å; E93-T96 WeakPolarHBondContact CA-OG1 3.35Å; E93-T96 PolarHBondContact O-OG1 2.58Å; E93-A97 WeakPolarHBondContact O-CB 3.26Å; E93-A97 PolarHBondContact O-N 3.29Å
94V97.1Very high94.5Very high0 Ų048 Ų480%023%0.232CC..Hα-helixtrans-69.6-44.9172.6176.90000110.3F63 V64 L87 Y90 V91 T96 A97 I98 M118F63-V94 HydrophobicContact CD1-CG2 4.2Å; F63-V94 HydrophobicContact CE1-CG1 4.32Å; F63-V94 HydrophobicContact CE1-CG2 4.17Å; V64-V94 HydrophobicContact CG2-CG2 3.68Å; L87-V94 HydrophobicContact CD1-CG2 4.38Å; Y90-V94 VanDerWaalsContact O-CG2 3.31Å; Y90-V94 WeakPolarHBondContact O-CG2 3.17Å; Y90-V94 PolarHBondContact O-N 3.06Å; V91-V94 PolarHBondContact O-N 2.65Å; V94-T96 PolarHBondContact O-N 3.33Å; V94-A97 WeakPolarHBondContact O-CB 3.49Å; V94-A97 PolarHBondContact O-N 3.26Å; V94-I98 HydrophobicContact CG1-CD1 4Å; V94-I98 HydrophobicContact CG1-CG1 4.42Å; V94-I98 WeakPolarHBondContact O-CG1 3.38Å; V94-I98 PolarHBondContact O-N 3.19Å; V94-M118 HydrophobicContact CB-CE 3.91Å; V94-M118 HydrophobicContact CG1-CE 3.61Å; V94-M118 HydrophobicContact CG1-SD 3.99Å; V94-M118 HydrophobicContact CG2-CE 4.39Å
95A97Very high94.3Very high0 Ų048.8 Ų48.80%023%0.231CC..Hα-helixtrans-56.6-49.1177.300000111.6V91 E92 I98 V99 F125 F129V91-A95 WeakPolarHBondContact O-CB 3.31Å; V91-A95 PolarHBondContact O-N 3.37Å; E92-A95 PolarHBondContact O-N 2.84Å; A95-I98 PolarHBondContact O-N 2.96Å; A95-V99 WeakPolarHBondContact O-CG2 3.45Å; A95-V99 PolarHBondContact O-N 2.81Å; A95-F125 HydrophobicContact CB-CD2 4.44Å; A95-F125 HydrophobicContact CB-CE2 4.16Å; A95-F129 HydrophobicContact CB-CB 4.1Å; A95-F129 HydrophobicContact CB-CD2 3.98Å; A95-F129 HydrophobicContact CB-CG 4.5Å
96T96.3Very high94.1Very high35 Ų3553.8 Ų53.822%0.21526%0.261CS..Hα-helixtrans-64.6-40.4175.151.30000112.4E92 E93 V94 I98 V99 E100 A132E92-T96 WeakPolarHBondContact O-CG2 3.44Å; E92-T96 PolarHBondContact O-N 3.3Å; E92-T96 PolarHBondContact O-OG1 3.09Å; E93-T96 WeakPolarHBondContact CA-OG1 3.35Å; E93-T96 PolarHBondContact O-OG1 2.58Å; V94-T96 PolarHBondContact O-N 3.33Å; T96-I98 VanDerWaalsContact C-N 3.32Å; T96-I98 PolarHBondContact O-N 3.38Å; T96-V99 PolarHBondContact O-N 2.96Å; T96-E100 WeakPolarHBondContact O-CB 3.39Å; T96-E100 WeakPolarHBondContact O-CG 3.21Å; T96-E100 PolarHBondContact O-N 2.88Å; T96-A132 HydrophobicContact CG2-CB 4.09Å
97A96.4Very high94Very high0 Ų053 Ų530%026%0.258CS..Hα-helixtrans-60.4-38.117600000113.2V64 V67 R68 E93 V94 A101V64-A97 HydrophobicContact CG1-CB 4.09Å; V67-A97 HydrophobicContact CB-CB 4.37Å; V67-A97 HydrophobicContact CG1-CB 4.08Å; R68-A97 HydrophobicContact CB-CB 3.81Å; R68-A97 HydrophobicContact CG-CB 4.49Å; E93-A97 WeakPolarHBondContact O-CB 3.26Å; E93-A97 PolarHBondContact O-N 3.29Å; V94-A97 WeakPolarHBondContact O-CB 3.49Å; V94-A97 PolarHBondContact O-N 3.26Å; A97-A101 WeakPolarHBondContact O-CB 3.48Å; A97-A101 PolarHBondContact O-N 3.12Å; A97-A101 VanDerWaalsContact O-N 3.08Å
98I96.4Very high94Very high2 Ų253.1 Ų53.11%0.0126%0.258CS..Hα-helixtrans-64.5-44.7175.7-69168.2000110.7V67 V94 A95 T96 E100 A101 M111 F125 F129V67-I98 HydrophobicContact CG1-CB 4.47Å; V67-I98 HydrophobicContact CG1-CG1 3.5Å; V94-I98 HydrophobicContact CG1-CD1 4Å; V94-I98 HydrophobicContact CG1-CG1 4.42Å; V94-I98 WeakPolarHBondContact O-CG1 3.38Å; V94-I98 PolarHBondContact O-N 3.19Å; A95-I98 PolarHBondContact O-N 2.96Å; T96-I98 VanDerWaalsContact C-N 3.32Å; T96-I98 PolarHBondContact O-N 3.38Å; I98-E100 VanDerWaalsContact C-N 3.35Å; I98-A101 WeakPolarHBondContact O-CB 3.3Å; I98-A101 PolarHBondContact O-N 3.3Å; I98-M111 HydrophobicContact CB-CE 4.4Å; I98-M111 HydrophobicContact CG1-CE 4.33Å; I98-M111 HydrophobicContact CG2-CE 3.69Å; I98-F125 HydrophobicContact CD1-CE2 4.29Å; I98-F125 HydrophobicContact CD1-CZ 4.14Å; I98-F129 HydrophobicContact CB-CE2 3.85Å; I98-F129 HydrophobicContact CB-CZ 4.34Å; I98-F129 HydrophobicContact CG2-CE2 3.56Å; I98-F129 HydrophobicContact CG2-CZ 3.59Å
99V94.8Very high94Very high5 Ų553.4 Ų53.43%0.0326%0.259CS..Hα-helixtrans-67.7-34.6179.9179.50000111.9A95 T96 F129 A132 W133 K150A95-V99 WeakPolarHBondContact O-CG2 3.45Å; A95-V99 PolarHBondContact O-N 2.81Å; T96-V99 PolarHBondContact O-N 2.96Å; V99-F129 HydrophobicContact CG2-CD2 4.02Å; V99-F129 HydrophobicContact CG2-CE2 3.65Å; V99-A132 HydrophobicContact CG2-CB 3.86Å; V99-W133 HydrophobicContact CG1-CD2 4.18Å; V99-W133 HydrophobicContact CG1-CE3 3.93Å; V99-W133 HydrophobicContact CG1-CH2 4.42Å; V99-W133 HydrophobicContact CG1-CZ3 4.04Å; V99-W133 HydrophobicContact CG2-CD2 3.8Å; V99-W133 HydrophobicContact CG2-CE3 4.38Å; V99-W133 HydrophobicContact CG2-CG 4.01Å; V99-W133 HydrophobicContact CG2-CZ2 4.11Å; V99-K150 WeakPolarHBondContact O-CE 3.45Å; V99-K150 PolarHBondContact O-NZ 3.44Å
100E92.2Very high94.2Very high105 Ų10545.6 Ų45.649%0.49123%0.225SC..Hα-helixtrans-79.4-18.3178.7-72.2177.5177.100113.8R68 T96 I98R68-E100 WeakPolarHBondContact CD-OE2 3.45Å; R68-E100 HydrophobicContact CG-CB 4.38Å; R68-E100 IonicContact CZ-OE2 3.42Å; R68-E100 IonicContact NE-OE2 2.65Å; R68-E100 PolarHBondContact NE-OE2 3.4Å; T96-E100 WeakPolarHBondContact O-CB 3.39Å; T96-E100 WeakPolarHBondContact O-CG 3.21Å; T96-E100 PolarHBondContact O-N 2.88Å; I98-E100 VanDerWaalsContact C-N 3.35Å
101A93.2Very high94.2Very high0 Ų043.7 Ų43.70%022%0.217CC..  trans-61137.7-175.100000112.3F70 A97 I98 I103F70-A101 HydrophobicContact CB-CB 4.41Å; A97-A101 WeakPolarHBondContact O-CB 3.48Å; A97-A101 PolarHBondContact O-N 3.12Å; A97-A101 VanDerWaalsContact O-N 3.08Å; I98-A101 WeakPolarHBondContact O-CB 3.3Å; I98-A101 PolarHBondContact O-N 3.3Å; A101-I103 HydrophobicContact CB-CG2 4.08Å; A101-I103 PolarHBondContact O-N 3.11Å
102K91.2Very high94.2Very high165 Ų16543.7 Ų43.772%0.71722%0.217SC*.  trans-87.989.8173-68.6-177.7-178.9177.50109.5
103I91.5Very high94.2Very high17 Ų1743.9 Ų43.99%0.08722%0.217CC..  trans-100.7158.7-178.855.4160.8000112.1F70 A101 D107 M111 V153 L157F70-I103 HydrophobicContact CB-CG2 4.44Å; F70-I103 HydrophobicContact CD1-CG2 4.02Å; F70-I103 HydrophobicContact CG-CG2 4.33Å; A101-I103 HydrophobicContact CB-CG2 4.08Å; A101-I103 PolarHBondContact O-N 3.11Å; I103-D107 HydrophobicContact CB-CB 4.31Å; I103-M111 HydrophobicContact CD1-CG 4.28Å; I103-M111 HydrophobicContact CG2-CE 4.28Å; I103-M111 HydrophobicContact CG2-CG 4.13Å; I103-M111 HydrophobicContact CG2-SD 4.18Å; I103-V153 HydrophobicContact CD1-CG1 3.76Å; I103-V153 HydrophobicContact CG1-CG1 3.69Å; I103-L157 HydrophobicContact CD1-CB 4.33Å; I103-L157 HydrophobicContact CD1-CD2 3.61Å; I103-L157 HydrophobicContact CD1-CG 4.45Å
104K91.8Very high94.1Very high148 Ų14840.2 Ų40.264%0.64320%0.199SC*.  trans-99.2164.2170.8-58.9176.9-178176.30110.5T106 D107K104-T106 PolarHBondContact O-N 2.97Å; K104-D107 WeakPolarHBondContact CB-OD2 3.49Å; K104-D107 PolarHBondContact N-OD2 3.26Å; K104-D107 WeakPolarHBondContact O-CB 3.24Å; K104-D107 PolarHBondContact O-N 3.1Å
105L89.3Confident94.1Very high71 Ų7140.2 Ų40.237%0.37220%0.199SC..G310 helixtrans-58.2-35.5176.7-159.774.1000112.1D107 I108 A156L105-D107 PolarHBondContact O-N 3.09Å; L105-I108 HydrophobicContact CD1-CD1 3.6Å; L105-I108 HydrophobicContact CG-CD1 4.29Å; L105-I108 WeakPolarHBondContact O-CB 3.45Å; L105-I108 WeakPolarHBondContact O-CG1 3.35Å; L105-I108 PolarHBondContact O-N 3.23Å; L105-A156 HydrophobicContact CD1-CB 3.82Å
106T90.7Very high94Very high107 Ų10740.3 Ų40.366%0.65620%0.2SC*.G310 helixtrans-66.9-16.6175.7530000114.1K104K104-T106 PolarHBondContact O-N 2.97Å
107D93.1Very high94Very high9 Ų939.6 Ų39.65%0.04820%0.198CC..G310 helixtrans-89.5-13.7-179.4-58.9-41.2000112.5F70 K75 I103 K104 L105 F110 M111F70-D107 HydrophobicContact CE1-CB 3.89Å; F70-D107 HydrophobicContact CZ-CB 4.47Å; K75-D107 WeakPolarHBondContact CE-OD1 3.17Å; K75-D107 IonicContact NZ-OD1 2.65Å; K75-D107 PolarHBondContact NZ-OD1 3.07Å; I103-D107 HydrophobicContact CB-CB 4.31Å; K104-D107 WeakPolarHBondContact CB-OD2 3.49Å; K104-D107 PolarHBondContact N-OD2 3.26Å; K104-D107 WeakPolarHBondContact O-CB 3.24Å; K104-D107 PolarHBondContact O-N 3.1Å; L105-D107 PolarHBondContact O-N 3.09Å; D107-F110 WeakPolarHBondContact O-CB 3.34Å; D107-F110 PolarHBondContact O-N 3.39Å; D107-F110 VanDerWaalsContact O-N 3.1Å; D107-M111 WeakPolarHBondContact O-CG 3.35Å; D107-M111 PolarHBondContact O-N 3.46Å
108I94Very high93.9Very high1 Ų139.6 Ų39.61%0.00520%0.198CC..Hα-helixtrans-52.8-48.2-178.2-68178.2000112.1L105 F110 M111 L112 V153 A156 L157 D160L105-I108 HydrophobicContact CD1-CD1 3.6Å; L105-I108 HydrophobicContact CG-CD1 4.29Å; L105-I108 WeakPolarHBondContact O-CB 3.45Å; L105-I108 WeakPolarHBondContact O-CG1 3.35Å; L105-I108 PolarHBondContact O-N 3.23Å; I108-F110 VanDerWaalsContact C-N 3.26Å; I108-F110 PolarHBondContact O-N 3.3Å; I108-M111 PolarHBondContact O-N 3.17Å; I108-L112 HydrophobicContact CG2-CD1 3.92Å; I108-L112 HydrophobicContact CG2-CG 4.03Å; I108-L112 VanDerWaalsContact O-CG 3.3Å; I108-L112 WeakPolarHBondContact O-CG 3.12Å; I108-L112 PolarHBondContact O-N 2.96Å; I108-V153 HydrophobicContact CD1-CG1 4.38Å; I108-V153 HydrophobicContact CG1-CG1 4.48Å; I108-A156 HydrophobicContact CD1-CB 3.71Å; I108-L157 HydrophobicContact CG1-CB 4.45Å; I108-L157 HydrophobicContact CG2-CD1 4.31Å; I108-D160 HydrophobicContact CG2-CB 4.4Å; I108-D160 WeakPolarHBondContact CG2-OD2 3.47Å
109P94Very high93.8Very high59 Ų5939.9 Ų39.938%0.38320%0.199SC..Hα-helixtrans-56.6-38.4179.5-27.336.3000113.8L29 K113L29-P109 HydrophobicContact CD2-CB 3.74Å; P109-K113 WeakPolarHBondContact O-CG 3.41Å; P109-K113 PolarHBondContact O-N 2.92Å
110F94.9Very high93.8Very high17 Ų1742 Ų428%0.07521%0.208CC..Hα-helixtrans-70.1-45.7175.3171.1-93.3000111.3F70 K75 L78 L79 D107 I108 L112 K113 L114F70-F110 HydrophobicContact CD2-CE1 4.37Å; F70-F110 AromaticContact CE2-CD1 3.66Å; F70-F110 HydrophobicContact CE2-CD1 3.66Å; F70-F110 AromaticContact CE2-CE1 3.42Å; F70-F110 HydrophobicContact CE2-CE1 3.42Å; F70-F110 VanDerWaalsContact CE2-CE1 3.42Å; F70-F110 HydrophobicContact CE2-CZ 4.35Å; F70-F110 AromaticContact CZ-CD1 3.76Å; F70-F110 HydrophobicContact CZ-CD1 3.76Å; F70-F110 HydrophobicContact CZ-CE1 4.01Å; K75-F110 HydrophobicContact CB-CD2 3.73Å; K75-F110 HydrophobicContact CB-CE2 3.61Å; K75-F110 HydrophobicContact CB-CG 4.31Å; K75-F110 HydrophobicContact CB-CZ 4.13Å; K75-F110 HydrophobicContact CD-CB 4.13Å; K75-F110 HydrophobicContact CD-CD2 4.12Å; K75-F110 HydrophobicContact CD-CG 4Å; K75-F110 HydrophobicContact CG-CB 4.41Å; K75-F110 HydrophobicContact CG-CD1 3.99Å; K75-F110 HydrophobicContact CG-CD2 3.68Å; K75-F110 HydrophobicContact CG-CE1 4.22Å; K75-F110 HydrophobicContact CG-CE2 3.89Å; K75-F110 HydrophobicContact CG-CG 3.73Å; K75-F110 HydrophobicContact CG-CZ 4.16Å; K75-F110 WeakPolarHBondContact O-CE2 3.36Å; K75-F110 WeakPolarHBondContact O-CZ 3.43Å; L78-F110 HydrophobicContact CB-CZ 4.03Å; L78-F110 HydrophobicContact CD1-CE1 4.26Å; L78-F110 HydrophobicContact CD1-CZ 4.2Å; L79-F110 HydrophobicContact CD1-CD2 4.31Å; L79-F110 HydrophobicContact CD1-CE2 3.75Å; L79-F110 HydrophobicContact CD2-CE2 4.46Å; L79-F110 HydrophobicContact CG-CE2 3.75Å; L79-F110 HydrophobicContact CG-CZ 4.29Å; D107-F110 WeakPolarHBondContact O-CB 3.34Å; D107-F110 PolarHBondContact O-N 3.39Å; D107-F110 VanDerWaalsContact O-N 3.1Å; I108-F110 VanDerWaalsContact C-N 3.26Å; I108-F110 PolarHBondContact O-N 3.3Å; F110-L112 VanDerWaalsContact C-N 3.25Å; F110-L112 PolarHBondContact O-N 3.44Å; F110-K113 WeakPolarHBondContact O-CB 3.33Å; F110-K113 PolarHBondContact O-N 3.25Å; F110-K113 VanDerWaalsContact O-N 3.09Å; F110-L114 HydrophobicContact CE1-CB 4.48Å; F110-L114 HydrophobicContact CE1-CD2 4.32Å; F110-L114 PolarHBondContact O-N 3.41Å
111M95.4Very high93.9Very high1 Ų137.7 Ų37.71%0.00519%0.188CC..Hα-helixtrans-60.8-36.8179.3-67.5-58.2-69.700111.7F70 I98 I103 D107 I108 L114 C115 L157F70-M111 HydrophobicContact CD2-SD 4.36Å; F70-M111 HydrophobicContact CE2-SD 4.38Å; I98-M111 HydrophobicContact CB-CE 4.4Å; I98-M111 HydrophobicContact CG1-CE 4.33Å; I98-M111 HydrophobicContact CG2-CE 3.69Å; I103-M111 HydrophobicContact CD1-CG 4.28Å; I103-M111 HydrophobicContact CG2-CE 4.28Å; I103-M111 HydrophobicContact CG2-CG 4.13Å; I103-M111 HydrophobicContact CG2-SD 4.18Å; D107-M111 WeakPolarHBondContact O-CG 3.35Å; D107-M111 PolarHBondContact O-N 3.46Å; I108-M111 PolarHBondContact O-N 3.17Å; M111-L114 PolarHBondContact O-N 2.92Å; M111-C115 WeakPolarHBondContact O-CB 3.28Å; M111-C115 PolarHBondContact O-N 3.37Å; M111-C115 PolarHBondContact O-SG 3.44Å; M111-L157 HydrophobicContact CB-CD1 4.1Å
112L96.3Very high93.9Very high3 Ų338 Ų382%0.01619%0.189CC..Hα-helixtrans-62.7-44.1173.3-66.7176.3000112.1L33 I108 F110 L114 C115 S116 L157 D160 L161 I164L33-L112 HydrophobicContact CD1-CB 3.87Å; I108-L112 HydrophobicContact CG2-CD1 3.92Å; I108-L112 HydrophobicContact CG2-CG 4.03Å; I108-L112 VanDerWaalsContact O-CG 3.3Å; I108-L112 WeakPolarHBondContact O-CG 3.12Å; I108-L112 PolarHBondContact O-N 2.96Å; F110-L112 VanDerWaalsContact C-N 3.25Å; F110-L112 PolarHBondContact O-N 3.44Å; L112-L114 PolarHBondContact O-N 3.38Å; L112-C115 PolarHBondContact O-N 3.19Å; L112-S116 WeakPolarHBondContact O-CB 3.35Å; L112-S116 PolarHBondContact O-N 2.97Å; L112-L157 HydrophobicContact CD2-CD1 4.05Å; L112-D160 HydrophobicContact CD1-CB 3.78Å; L112-D160 HydrophobicContact CD2-CB 3.64Å; L112-D160 HydrophobicContact CG-CB 4.25Å; L112-L161 HydrophobicContact CD2-CD2 3.95Å; L112-L161 HydrophobicContact CD2-CG 4.31Å; L112-I164 HydrophobicContact CB-CD1 4.15Å; L112-I164 HydrophobicContact CD2-CD1 3.82Å; L112-I164 HydrophobicContact CD2-CG1 4.37Å
113K95.6Very high93.9Very high100 Ų10033.9 Ų33.944%0.43518%0.18SC..Hα-helixtrans-60.2-44.8175.1-70174.1-177.71800111.4L29 L33 P109 F110 S116 A117L29-K113 HydrophobicContact CD1-CG 4.23Å; L33-K113 HydrophobicContact CD1-CG 4.41Å; P109-K113 WeakPolarHBondContact O-CG 3.41Å; P109-K113 PolarHBondContact O-N 2.92Å; F110-K113 WeakPolarHBondContact O-CB 3.33Å; F110-K113 PolarHBondContact O-N 3.25Å; F110-K113 VanDerWaalsContact O-N 3.09Å; K113-S116 PolarHBondContact O-N 2.79Å; K113-A117 WeakPolarHBondContact O-CB 3.25Å; K113-A117 PolarHBondContact O-N 3Å
114L95.8Very high93.9Very high0 Ų036.3 Ų36.30%019%0.194CC..Hα-helixtrans-63.8-46.2177.7179.761.1000111.9F63 V67 F110 M111 L112 S116 A117 M118F63-L114 HydrophobicContact CZ-CD1 4.33Å; V67-L114 HydrophobicContact CG2-CD2 4.35Å; F110-L114 HydrophobicContact CE1-CB 4.48Å; F110-L114 HydrophobicContact CE1-CD2 4.32Å; F110-L114 PolarHBondContact O-N 3.41Å; M111-L114 PolarHBondContact O-N 2.92Å; L112-L114 PolarHBondContact O-N 3.38Å; L114-S116 VanDerWaalsContact C-N 3.35Å; L114-S116 PolarHBondContact O-N 3.02Å; L114-A117 PolarHBondContact O-N 3.38Å; L114-M118 WeakPolarHBondContact O-CG 3.33Å; L114-M118 PolarHBondContact O-N 3.16Å
115C96.2Very high94Very high0 Ų029.3 Ų29.30%016%0.163CC..Hα-helixtrans-65.1-39.4178.7-64.90000111.8M111 L112 M118 Y119 F125 L161 I166M111-C115 WeakPolarHBondContact O-CB 3.28Å; M111-C115 PolarHBondContact O-N 3.37Å; M111-C115 PolarHBondContact O-SG 3.44Å; L112-C115 PolarHBondContact O-N 3.19Å; C115-M118 PolarHBondContact O-N 3.37Å; C115-Y119 VanDerWaalsContact O-CB 3.27Å; C115-Y119 WeakPolarHBondContact O-CB 3.31Å; C115-Y119 PolarHBondContact O-N 3.48Å; C115-F125 WeakPolarHBondContact O-CE1 3.37Å; C115-L161 HydrophobicContact CB-CD2 3.76Å; C115-I166 HydrophobicContact CB-CD1 3.6Å
116S96Very high94.2Very high1 Ų126.4 Ų26.41%0.00715%0.15CC..Hα-helixtrans-62.2-44.4174.3-167.90000111.5N37 L112 K113 L114 Y119 Q120N37-S116 PolarHBondContact ND2-OG 3.16Å; N37-S116 VanDerWaalsContact ND2-OG 3.15Å; N37-S116 PolarHBondContact OD1-OG 3.29Å; L112-S116 WeakPolarHBondContact O-CB 3.35Å; L112-S116 PolarHBondContact O-N 2.97Å; K113-S116 PolarHBondContact O-N 2.79Å; L114-S116 VanDerWaalsContact C-N 3.35Å; L114-S116 PolarHBondContact O-N 3.02Å; S116-Y119 PolarHBondContact O-N 3.43Å; S116-Q120 VanDerWaalsContact O-CG 3.28Å; S116-Q120 WeakPolarHBondContact O-CG 3.22Å; S116-Q120 PolarHBondContact O-N 3.26Å; S116-Q120 PolarHBondContact OG-NE2 2.95Å
117A94.5Very high94.2Very high21 Ų2125.9 Ų25.917%0.17415%0.147CC..Hα-helixtrans-65.1-42177.700000112.2F82 K113 L114 Y119 Q120 R121F82-A117 HydrophobicContact CD1-CB 4.1Å; F82-A117 HydrophobicContact CE1-CB 3.51Å; F82-A117 HydrophobicContact CZ-CB 4Å; F82-A117 WeakPolarHBondContact CZ-O 3.44Å; K113-A117 WeakPolarHBondContact O-CB 3.25Å; K113-A117 PolarHBondContact O-N 3Å; L114-A117 PolarHBondContact O-N 3.38Å; A117-Y119 VanDerWaalsContact C-N 3.35Å; A117-Q120 PolarHBondContact O-N 3.03Å; A117-R121 WeakPolarHBondContact O-CB 3.21Å; A117-R121 PolarHBondContact O-N 2.94Å
118M95.6Very high94.4Very high0 Ų027.5 Ų27.50%016%0.155CC..Hα-helixtrans-59-46.4172.3-74.8-69.6-59.700111.3F82 L87 V91 V94 L114 C115 Q120 R121 Y122 F125F82-M118 HydrophobicContact CD2-SD 3.77Å; F82-M118 HydrophobicContact CE2-CG 4.05Å; F82-M118 HydrophobicContact CE2-SD 3.32Å; F82-M118 WeakPolarHBondContact CE2-SD 3.41Å; F82-M118 HydrophobicContact CZ-SD 4.34Å; L87-M118 HydrophobicContact CD1-SD 4.01Å; V91-M118 HydrophobicContact CG1-CE 4.48Å; V94-M118 HydrophobicContact CB-CE 3.91Å; V94-M118 HydrophobicContact CG1-CE 3.61Å; V94-M118 HydrophobicContact CG1-SD 3.99Å; V94-M118 HydrophobicContact CG2-CE 4.39Å; L114-M118 WeakPolarHBondContact O-CG 3.33Å; L114-M118 PolarHBondContact O-N 3.16Å; C115-M118 PolarHBondContact O-N 3.37Å; M118-Q120 PolarHBondContact O-N 3.32Å; M118-R121 PolarHBondContact O-N 3Å; M118-Y122 HydrophobicContact CE-CD2 3.9Å; M118-Y122 HydrophobicContact CE-CE2 4.09Å; M118-Y122 PolarHBondContact O-N 3.36Å; M118-Y122 HydrophobicContact SD-CD2 4.29Å; M118-Y122 HydrophobicContact SD-CE2 4.12Å; M118-F125 HydrophobicContact CB-CD1 3.84Å; M118-F125 HydrophobicContact CB-CD2 3.97Å; M118-F125 HydrophobicContact CB-CE1 3.68Å; M118-F125 HydrophobicContact CB-CE2 3.81Å; M118-F125 HydrophobicContact CB-CG 3.98Å; M118-F125 HydrophobicContact CB-CZ 3.66Å; M118-F125 HydrophobicContact CE-CD2 3.73Å; M118-F125 HydrophobicContact CE-CE2 3.92Å; M118-F125 HydrophobicContact CG-CE2 4.2Å; M118-F125 HydrophobicContact CG-CZ 4.26Å
119Y94.7Very high94.5Very high8 Ų827.4 Ų27.43%0.03116%0.155CC..Hα-helixtrans-63.4-39179.9-175.6-97000113.1N37 I40 W44 C115 S116 A117 R121 F125 I166 R168N37-Y119 HydrophobicContact CB-CD1 3.9Å; N37-Y119 HydrophobicContact CB-CE1 3.93Å; I40-Y119 HydrophobicContact CG2-CD1 4.49Å; I40-Y119 HydrophobicContact CG2-CE1 4.39Å; W44-Y119 PolarHBondContact NE1-O 3.49Å; C115-Y119 VanDerWaalsContact O-CB 3.27Å; C115-Y119 WeakPolarHBondContact O-CB 3.31Å; C115-Y119 PolarHBondContact O-N 3.48Å; S116-Y119 PolarHBondContact O-N 3.43Å; A117-Y119 VanDerWaalsContact C-N 3.35Å; Y119-R121 VanDerWaalsContact C-N 3.28Å; Y119-R121 PolarHBondContact O-N 3.27Å; Y119-F125 HydrophobicContact CD2-CD1 4.32Å; Y119-I166 HydrophobicContact CD2-CB 4.41Å; Y119-I166 HydrophobicContact CD2-CG1 4.35Å; Y119-I166 HydrophobicContact CD2-CG2 4.03Å; Y119-I166 HydrophobicContact CE2-CG2 4.45Å; Y119-I166 WeakPolarHBondContact CE2-O 3.46Å; Y119-I166 HydrophobicContact CG-CG1 4.25Å; Y119-R168 PolarHBondContact OH-NE 3.42Å; Y119-R168 PolarHBondContact OH-NH2 3.42Å
120Q94Very high94.5Very high49 Ų4925.4 Ų25.423%0.22914%0.14CC..Hα-helixtrans-72.3-21.9177.4-69.6167.839.500113N37 I40 S116 A117 M118N37-Q120 WeakPolarHBondContact OD1-CG 3.49Å; N37-Q120 PolarHBondContact OD1-NE2 3.5Å; I40-Q120 HydrophobicContact CB-CG 4.34Å; I40-Q120 HydrophobicContact CG1-CB 4.32Å; I40-Q120 WeakPolarHBondContact CG1-O 3.42Å; I40-Q120 HydrophobicContact CG2-CB 4.43Å; I40-Q120 HydrophobicContact CG2-CG 4.02Å; S116-Q120 VanDerWaalsContact O-CG 3.28Å; S116-Q120 WeakPolarHBondContact O-CG 3.22Å; S116-Q120 PolarHBondContact O-N 3.26Å; S116-Q120 PolarHBondContact OG-NE2 2.95Å; A117-Q120 PolarHBondContact O-N 3.03Å; M118-Q120 PolarHBondContact O-N 3.32Å
121R93.8Very high94.5Very high15 Ų1527.7 Ų27.76%0.05715%0.153CC..Hα-helixtrans-93.1-41.2-179.1-172.1171.1-63.1-1685.9113.3F49 F50 F82 E83 L85 A117 M118 Y119F49-R121 HydrophobicContact CE1-CG 4.06Å; F50-R121 HydrophobicContact CE1-CG 3.84Å; F50-R121 HydrophobicContact CZ-CG 4.13Å; F50-R121 WeakPolarHBondContact CZ-O 3.32Å; F82-R121 HydrophobicContact CZ-CB 4.02Å; F82-R121 PolarHBondContact O-NH1 2.93Å; E83-R121 IonicContact OE1-NH2 3.88Å; E83-R121 PolarHBondContact OE1-NH2 3.49Å; E83-R121 IonicContact OE2-CZ 3.6Å; E83-R121 IonicContact OE2-NH2 3.23Å; E83-R121 PolarHBondContact OE2-NH2 3.4Å; L85-R121 PolarHBondContact O-NH1 2.91Å; A117-R121 WeakPolarHBondContact O-CB 3.21Å; A117-R121 PolarHBondContact O-N 2.94Å; M118-R121 PolarHBondContact O-N 3Å; Y119-R121 VanDerWaalsContact C-N 3.28Å; Y119-R121 PolarHBondContact O-N 3.27Å
122Y94.5Very high94.4Very high7 Ų728 Ų283%0.02716%0.156CC..  trans-119121.4-172.1-55.5-77.6000110.9F50 F82 L87 V91 M118 D124 F125F50-Y122 HydrophobicContact CD1-CE1 4.17Å; F50-Y122 AromaticContact CE1-CD1 3.91Å; F50-Y122 HydrophobicContact CE1-CD1 3.91Å; F50-Y122 AromaticContact CE1-CE1 3.32Å; F50-Y122 HydrophobicContact CE1-CE1 3.32Å; F50-Y122 AromaticContact CE1-CZ 3.99Å; F50-Y122 HydrophobicContact CZ-CD1 4.02Å; F50-Y122 AromaticContact CZ-CE1 3.92Å; F50-Y122 HydrophobicContact CZ-CE1 3.92Å; F82-Y122 HydrophobicContact CE2-CE2 4.08Å; L87-Y122 WeakPolarHBondContact CA-OH 3.34Å; L87-Y122 HydrophobicContact CB-CE1 4.44Å; L87-Y122 HydrophobicContact CB-CE2 4.05Å; L87-Y122 WeakPolarHBondContact CB-OH 3.32Å; L87-Y122 HydrophobicContact CD1-CE2 4.48Å; L87-Y122 PolarHBondContact N-OH 2.96Å; V91-Y122 HydrophobicContact CG2-CD1 3.84Å; V91-Y122 HydrophobicContact CG2-CD2 4.35Å; V91-Y122 HydrophobicContact CG2-CE1 4.37Å; V91-Y122 HydrophobicContact CG2-CG 3.84Å; M118-Y122 HydrophobicContact CE-CD2 3.9Å; M118-Y122 HydrophobicContact CE-CE2 4.09Å; M118-Y122 PolarHBondContact O-N 3.36Å; M118-Y122 HydrophobicContact SD-CD2 4.29Å; M118-Y122 HydrophobicContact SD-CE2 4.12Å; Y122-D124 VanDerWaalsContact C-N 3.32Å; Y122-D124 PolarHBondContact O-N 3.01Å; Y122-F125 WeakPolarHBondContact O-CB 3.5Å; Y122-F125 PolarHBondContact O-N 2.7Å
123S90.6Very high94.4Very high77 Ų7727.8 Ų27.854%0.53816%0.155SC..THydrogen-bonded Turntrans-68.4-28.9-175.155.60000114.1
124D91.1Very high94.2Very high69 Ų6926.6 Ų26.637%0.36915%0.15SC..THydrogen-bonded Turntrans-85.5-16.1-179.358.2-20.5000113.5Y122 G126 V127 L128Y122-D124 VanDerWaalsContact C-N 3.32Å; Y122-D124 PolarHBondContact O-N 3.01Å; D124-G126 VanDerWaalsContact C-N 3.34Å; D124-G126 PolarHBondContact O-N 2.9Å; D124-V127 PolarHBondContact O-N 3.42Å; D124-L128 HydrophobicContact CB-CD1 4.21Å; D124-L128 WeakPolarHBondContact O-CG 3.3Å; D124-L128 PolarHBondContact O-N 3.18Å; D124-L128 VanDerWaalsContact O-N 3.13Å
125F94.9Very high93.9Very high0 Ų033 Ų330%018%0.177CC..Hα-helixtrans-54.8-44.8-176.8175.2-105.4000113.1V91 A95 I98 C115 M118 Y119 Y122 V127 L128 F129V91-F125 HydrophobicContact CG1-CB 3.75Å; V91-F125 HydrophobicContact CG1-CD2 3.87Å; V91-F125 HydrophobicContact CG1-CG 4.32Å; A95-F125 HydrophobicContact CB-CD2 4.44Å; A95-F125 HydrophobicContact CB-CE2 4.16Å; I98-F125 HydrophobicContact CD1-CE2 4.29Å; I98-F125 HydrophobicContact CD1-CZ 4.14Å; C115-F125 WeakPolarHBondContact O-CE1 3.37Å; M118-F125 HydrophobicContact CB-CD1 3.84Å; M118-F125 HydrophobicContact CB-CD2 3.97Å; M118-F125 HydrophobicContact CB-CE1 3.68Å; M118-F125 HydrophobicContact CB-CE2 3.81Å; M118-F125 HydrophobicContact CB-CG 3.98Å; M118-F125 HydrophobicContact CB-CZ 3.66Å; M118-F125 HydrophobicContact CE-CD2 3.73Å; M118-F125 HydrophobicContact CE-CE2 3.92Å; M118-F125 HydrophobicContact CG-CE2 4.2Å; M118-F125 HydrophobicContact CG-CZ 4.26Å; Y119-F125 HydrophobicContact CD2-CD1 4.32Å; Y122-F125 WeakPolarHBondContact O-CB 3.5Å; Y122-F125 PolarHBondContact O-N 2.7Å; F125-V127 VanDerWaalsContact C-N 3.32Å; F125-V127 PolarHBondContact O-N 2.86Å; F125-L128 PolarHBondContact O-N 3.27Å; F125-F129 HydrophobicContact CE1-CB 4.38Å; F125-F129 HydrophobicContact CE1-CD1 4.01Å; F125-F129 HydrophobicContact CE1-CG 4.32Å; F125-F129 HydrophobicContact CE2-CB 4.23Å; F125-F129 HydrophobicContact CE2-CG 4.3Å; F125-F129 HydrophobicContact CZ-CB 4.16Å; F125-F129 AromaticContact CZ-CD1 3.9Å; F125-F129 HydrophobicContact CZ-CD1 3.9Å; F125-F129 HydrophobicContact CZ-CD2 4.31Å; F125-F129 HydrophobicContact CZ-CE1 4.28Å; F125-F129 AromaticContact CZ-CG 3.91Å; F125-F129 HydrophobicContact CZ-CG 3.91Å; F125-F129 WeakPolarHBondContact O-CB 3.42Å; F125-F129 PolarHBondContact O-N 3.22Å
126G91.9Very high93.6Very high10 Ų1033.8 Ų33.810%0.10318%0.183CC..Hα-helixtrans-59.3-40.6-177.900000113.5D124 F130D124-G126 VanDerWaalsContact C-N 3.34Å; D124-G126 PolarHBondContact O-N 2.9Å; G126-F130 WeakPolarHBondContact O-CB 3.42Å; G126-F130 PolarHBondContact O-N 3.39Å
127V92.3Very high93.2Very high97 Ų9733.8 Ų33.859%0.58818%0.183SC*.Hα-helixtrans-72.4-49.6179.6-179.80000110.4D124 F125 F129 F130 D131D124-V127 PolarHBondContact O-N 3.42Å; F125-V127 VanDerWaalsContact C-N 3.32Å; F125-V127 PolarHBondContact O-N 2.86Å; V127-F129 VanDerWaalsContact C-N 3.28Å; V127-F129 PolarHBondContact O-N 2.98Å; V127-F130 PolarHBondContact O-N 3.27Å; V127-D131 PolarHBondContact O-N 3.37Å
128L95.6Very high92.7Very high42 Ų4236 Ų3622%0.2220%0.197CC..Hα-helixtrans-60.7-38.8178.9-66.3172.2000111.8V91 E92 D124 F125 D131 A132V91-L128 HydrophobicContact CB-CD1 4.1Å; V91-L128 HydrophobicContact CG1-CD1 3.91Å; E92-L128 HydrophobicContact CB-CD1 4.18Å; E92-L128 HydrophobicContact CB-CD2 4.38Å; E92-L128 HydrophobicContact CG-CD2 4.33Å; D124-L128 HydrophobicContact CB-CD1 4.21Å; D124-L128 WeakPolarHBondContact O-CG 3.3Å; D124-L128 PolarHBondContact O-N 3.18Å; D124-L128 VanDerWaalsContact O-N 3.13Å; F125-L128 PolarHBondContact O-N 3.27Å; L128-D131 PolarHBondContact O-N 3.17Å; L128-A132 PolarHBondContact O-N 2.95Å
129F96.2Very high91.8Very high0 Ų039.7 Ų39.70%022%0.223CC..Hα-helixtrans-69.8-39.5178.1-169.1-138.9000112.1A95 I98 V99 F125 V127 D131 A132 W133 L161 I166 F167A95-F129 HydrophobicContact CB-CB 4.1Å; A95-F129 HydrophobicContact CB-CD2 3.98Å; A95-F129 HydrophobicContact CB-CG 4.5Å; I98-F129 HydrophobicContact CB-CE2 3.85Å; I98-F129 HydrophobicContact CB-CZ 4.34Å; I98-F129 HydrophobicContact CG2-CE2 3.56Å; I98-F129 HydrophobicContact CG2-CZ 3.59Å; V99-F129 HydrophobicContact CG2-CD2 4.02Å; V99-F129 HydrophobicContact CG2-CE2 3.65Å; F125-F129 HydrophobicContact CE1-CB 4.38Å; F125-F129 HydrophobicContact CE1-CD1 4.01Å; F125-F129 HydrophobicContact CE1-CG 4.32Å; F125-F129 HydrophobicContact CE2-CB 4.23Å; F125-F129 HydrophobicContact CE2-CG 4.3Å; F125-F129 HydrophobicContact CZ-CB 4.16Å; F125-F129 AromaticContact CZ-CD1 3.9Å; F125-F129 HydrophobicContact CZ-CD1 3.9Å; F125-F129 HydrophobicContact CZ-CD2 4.31Å; F125-F129 HydrophobicContact CZ-CE1 4.28Å; F125-F129 AromaticContact CZ-CG 3.91Å; F125-F129 HydrophobicContact CZ-CG 3.91Å; F125-F129 WeakPolarHBondContact O-CB 3.42Å; F125-F129 PolarHBondContact O-N 3.22Å; V127-F129 VanDerWaalsContact C-N 3.28Å; V127-F129 PolarHBondContact O-N 2.98Å; F129-D131 VanDerWaalsContact C-N 3.34Å; F129-D131 PolarHBondContact O-N 3.34Å; F129-A132 PolarHBondContact O-N 2.6Å; F129-W133 AromaticContact CD2-CD1 3.97Å; F129-W133 AromaticContact CD2-NE1 3.85Å; F129-W133 AromaticContact CE1-NE1 3.54Å; F129-W133 AromaticContact CE2-CD1 3.89Å; F129-W133 AromaticContact CE2-NE1 3.29Å; F129-W133 VanDerWaalsContact CE2-NE1 3.29Å; F129-W133 AromaticContact CZ-CD1 3.99Å; F129-W133 HydrophobicContact CZ-CZ2 4.43Å; F129-W133 AromaticContact CZ-NE1 3.13Å; F129-W133 PolarHBondContact O-N 2.95Å; F129-L161 HydrophobicContact CE1-CD1 3.41Å; F129-L161 VanDerWaalsContact CE1-CD1 3.41Å; F129-L161 HydrophobicContact CE1-CD2 3.85Å; F129-L161 HydrophobicContact CE1-CG 4.24Å; F129-L161 HydrophobicContact CZ-CD1 3.65Å; F129-L161 HydrophobicContact CZ-CD2 4.47Å; F129-I166 HydrophobicContact CD1-CG2 4.06Å; F129-F167 AromaticContact CD1-CE1 3.87Å; F129-F167 HydrophobicContact CD1-CE1 3.87Å; F129-F167 AromaticContact CD1-CZ 3.91Å; F129-F167 HydrophobicContact CD1-CZ 3.91Å; F129-F167 HydrophobicContact CE1-CZ 4.19Å; F129-F167 HydrophobicContact CG-CE1 4.46Å
130F94.8Very high90.5Very high17 Ų1740.2 Ų40.28%0.07523%0.226CC..Hα-helixtrans-63.1-41.1173.8-174.3-129.9000112.1G126 V127 W133 K134 F158 F167 D171 L175G126-F130 WeakPolarHBondContact O-CB 3.42Å; G126-F130 PolarHBondContact O-N 3.39Å; V127-F130 PolarHBondContact O-N 3.27Å; F130-W133 PolarHBondContact O-N 2.95Å; F130-K134 HydrophobicContact CD1-CD 4.36Å; F130-K134 HydrophobicContact CE1-CD 4.16Å; F130-K134 HydrophobicContact CE2-CG 4.46Å; F130-K134 HydrophobicContact CZ-CD 4.39Å; F130-K134 HydrophobicContact CZ-CG 4.35Å; F130-K134 PolarHBondContact O-N 2.88Å; F130-F158 HydrophobicContact CD2-CZ 4.42Å; F130-F158 HydrophobicContact CE2-CZ 4.22Å; F130-F167 HydrophobicContact CB-CD1 3.75Å; F130-F167 HydrophobicContact CB-CE1 3.81Å; F130-F167 AromaticContact CD2-CD1 3.91Å; F130-F167 HydrophobicContact CD2-CD1 3.91Å; F130-F167 HydrophobicContact CD2-CE1 4.12Å; F130-F167 HydrophobicContact CD2-CG 4.22Å; F130-F167 HydrophobicContact CG-CD1 4.13Å; F130-F167 HydrophobicContact CG-CE1 4.42Å; F130-D171 HydrophobicContact CE1-CB 3.69Å; F130-D171 HydrophobicContact CZ-CB 3.56Å; F130-L175 HydrophobicContact CD2-CD2 4.48Å; F130-L175 HydrophobicContact CE2-CB 4.36Å; F130-L175 HydrophobicContact CE2-CD2 3.73Å; F130-L175 HydrophobicContact CZ-CD2 4.34Å
131D94.1Very high89Confident64 Ų6445.7 Ų45.734%0.34225%0.249SC..Hα-helixtrans-66.5-36.3176.2-74.3-20.9000112.5V127 L128 F129 K134 K135V127-D131 PolarHBondContact O-N 3.37Å; L128-D131 PolarHBondContact O-N 3.17Å; F129-D131 VanDerWaalsContact C-N 3.34Å; F129-D131 PolarHBondContact O-N 3.34Å; D131-K134 PolarHBondContact O-N 2.75Å; D131-K134 IonicContact OD1-NZ 3.97Å; D131-K135 WeakPolarHBondContact O-CG 3.45Å; D131-K135 PolarHBondContact O-N 3.11Å
132A94.9Very high87.3Confident7 Ų750.6 Ų50.66%0.05828%0.276CS..Hα-helixtrans-61.5-43.6171.800000111.8T96 V99 L128 F129 K135 S136T96-A132 HydrophobicContact CG2-CB 4.09Å; V99-A132 HydrophobicContact CG2-CB 3.86Å; L128-A132 PolarHBondContact O-N 2.95Å; F129-A132 PolarHBondContact O-N 2.6Å; A132-K135 PolarHBondContact O-N 2.85Å; A132-S136 PolarHBondContact O-N 3.24Å
133W94.8Very high85.7Confident0 Ų053.2 Ų53.20%029%0.29CS..Hα-helixtrans-65.3-42.4175.2-81.6112.2000113.2V99 F129 F130 K135 S136 F137 D154 L157 F158 L161 F167V99-W133 HydrophobicContact CG1-CD2 4.18Å; V99-W133 HydrophobicContact CG1-CE3 3.93Å; V99-W133 HydrophobicContact CG1-CH2 4.42Å; V99-W133 HydrophobicContact CG1-CZ3 4.04Å; V99-W133 HydrophobicContact CG2-CD2 3.8Å; V99-W133 HydrophobicContact CG2-CE3 4.38Å; V99-W133 HydrophobicContact CG2-CG 4.01Å; V99-W133 HydrophobicContact CG2-CZ2 4.11Å; F129-W133 AromaticContact CD2-CD1 3.97Å; F129-W133 AromaticContact CD2-NE1 3.85Å; F129-W133 AromaticContact CE1-NE1 3.54Å; F129-W133 AromaticContact CE2-CD1 3.89Å; F129-W133 AromaticContact CE2-NE1 3.29Å; F129-W133 VanDerWaalsContact CE2-NE1 3.29Å; F129-W133 AromaticContact CZ-CD1 3.99Å; F129-W133 HydrophobicContact CZ-CZ2 4.43Å; F129-W133 AromaticContact CZ-NE1 3.13Å; F129-W133 PolarHBondContact O-N 2.95Å; F130-W133 PolarHBondContact O-N 2.95Å; W133-K135 VanDerWaalsContact C-N 3.3Å; W133-K135 PolarHBondContact O-N 3.41Å; W133-S136 PolarHBondContact O-N 2.99Å; W133-F137 HydrophobicContact CE3-CE1 4.32Å; W133-F137 AromaticContact CE3-CE2 3.98Å; W133-F137 HydrophobicContact CE3-CE2 3.98Å; W133-F137 AromaticContact CE3-CZ 3.84Å; W133-F137 HydrophobicContact CE3-CZ 3.84Å; W133-F137 HydrophobicContact CZ3-CE1 4.35Å; W133-F137 HydrophobicContact CZ3-CZ 4.08Å; W133-F137 PolarHBondContact O-N 3.49Å; W133-D154 HydrophobicContact CH2-CB 4.01Å; W133-D154 HydrophobicContact CZ3-CB 3.79Å; W133-L157 HydrophobicContact CH2-CD2 4.26Å; W133-L157 HydrophobicContact CZ2-CD2 3.88Å; W133-L157 HydrophobicContact CZ2-CG 4.3Å; W133-F158 HydrophobicContact CB-CD2 3.98Å; W133-F158 HydrophobicContact CB-CE2 3.54Å; W133-F158 AromaticContact CD1-CD2 3.82Å; W133-F158 AromaticContact CD1-CE2 3.82Å; W133-F158 AromaticContact CD2-CD2 3.48Å; W133-F158 HydrophobicContact CD2-CD2 3.48Å; W133-F158 VanDerWaalsContact CD2-CD2 3.48Å; W133-F158 HydrophobicContact CD2-CE2 4.01Å; W133-F158 AromaticContact CE2-CD2 3.83Å; W133-F158 AromaticContact CE3-CD2 3.97Å; W133-F158 HydrophobicContact CE3-CD2 3.97Å; W133-F158 AromaticContact CG-CD2 3.48Å; W133-F158 HydrophobicContact CG-CD2 3.48Å; W133-F158 VanDerWaalsContact CG-CD2 3.48Å; W133-F158 AromaticContact CG-CE2 3.49Å; W133-F158 HydrophobicContact CG-CE2 3.49Å; W133-F158 VanDerWaalsContact CG-CE2 3.49Å; W133-F158 AromaticContact NE1-CD2 3.99Å; W133-L161 HydrophobicContact CZ2-CD1 4.04Å; W133-F167 AromaticContact CD1-CZ 3.62Å; W133-F167 HydrophobicContact CG-CZ 4.49Å
134K91.4Very high84.3Confident75 Ų7559.2 Ų59.233%0.32631%0.306SS..Hα-helixtrans-56.3-45.2173.3-79.5176.3176.71580111.7F130 D131 S138 L175F130-K134 HydrophobicContact CD1-CD 4.36Å; F130-K134 HydrophobicContact CE1-CD 4.16Å; F130-K134 HydrophobicContact CE2-CG 4.46Å; F130-K134 HydrophobicContact CZ-CD 4.39Å; F130-K134 HydrophobicContact CZ-CG 4.35Å; F130-K134 PolarHBondContact O-N 2.88Å; D131-K134 PolarHBondContact O-N 2.75Å; D131-K134 IonicContact OD1-NZ 3.97Å; K134-S138 VanDerWaalsContact O-CB 3.25Å; K134-S138 WeakPolarHBondContact O-CB 3.3Å; K134-S138 PolarHBondContact O-N 2.95Å; K134-S138 PolarHBondContact O-OG 3.35Å; K134-L175 HydrophobicContact CG-CD2 3.75Å
135K90.8Very high82.8Confident133 Ų13362.9 Ų62.958%0.57833%0.326SS*.Hα-helixtrans-62.3-44.5176.2-71.8171.3-175.1172.40111D131 A132 W133 S138 S139D131-K135 WeakPolarHBondContact O-CG 3.45Å; D131-K135 PolarHBondContact O-N 3.11Å; A132-K135 PolarHBondContact O-N 2.85Å; W133-K135 VanDerWaalsContact C-N 3.3Å; W133-K135 PolarHBondContact O-N 3.41Å; K135-S138 PolarHBondContact O-N 3.1Å; K135-S139 PolarHBondContact O-N 2.94Å
136S89Confident81.4Confident18 Ų1863.8 Ų63.813%0.12633%0.332CS..Hα-helixtrans-62.7-51.8178.5-170.50000112.1A132 W133 S138 S139 H140A132-S136 PolarHBondContact O-N 3.24Å; W133-S136 PolarHBondContact O-N 2.99Å; S136-S138 VanDerWaalsContact C-N 3.28Å; S136-S138 PolarHBondContact O-N 2.82Å; S136-S139 WeakPolarHBondContact O-CB 3.21Å; S136-S139 PolarHBondContact O-N 3.02Å; S136-S139 PolarHBondContact O-OG 2.66Å; S136-H140 PolarHBondContact O-CD2 2.85Å
137F88.7Confident80.8Confident1 Ų167 Ų670%0.00435%0.347CS..Hα-helixtrans-65.8-29.1178.6-70.9-39.3000113.5W133 S139 H140 L151 L155 F158 L175 Q179W133-F137 HydrophobicContact CE3-CE1 4.32Å; W133-F137 AromaticContact CE3-CE2 3.98Å; W133-F137 HydrophobicContact CE3-CE2 3.98Å; W133-F137 AromaticContact CE3-CZ 3.84Å; W133-F137 HydrophobicContact CE3-CZ 3.84Å; W133-F137 HydrophobicContact CZ3-CE1 4.35Å; W133-F137 HydrophobicContact CZ3-CZ 4.08Å; W133-F137 PolarHBondContact O-N 3.49Å; F137-S139 VanDerWaalsContact C-N 3.26Å; F137-S139 PolarHBondContact O-N 3.2Å; F137-H140 PolarHBondContact O-N 3.3Å; F137-L151 HydrophobicContact CD1-CD1 4.47Å; F137-L151 HydrophobicContact CE1-CD1 4.27Å; F137-L155 HydrophobicContact CE1-CD2 4.22Å; F137-L155 HydrophobicContact CZ-CD2 4.4Å; F137-F158 HydrophobicContact CE2-CB 4.23Å; F137-F158 AromaticContact CE2-CD1 3.76Å; F137-F158 HydrophobicContact CE2-CD1 3.76Å; F137-F158 AromaticContact CE2-CD2 3.79Å; F137-F158 HydrophobicContact CE2-CD2 3.79Å; F137-F158 AromaticContact CE2-CE1 3.99Å; F137-F158 HydrophobicContact CE2-CE1 3.99Å; F137-F158 HydrophobicContact CE2-CE2 4.04Å; F137-F158 AromaticContact CE2-CG 3.64Å; F137-F158 HydrophobicContact CE2-CG 3.64Å; F137-F158 HydrophobicContact CE2-CZ 4.14Å; F137-F158 HydrophobicContact CZ-CB 3.91Å; F137-F158 HydrophobicContact CZ-CD1 4.18Å; F137-F158 HydrophobicContact CZ-CD2 4.24Å; F137-F158 AromaticContact CZ-CG 3.84Å; F137-F158 HydrophobicContact CZ-CG 3.84Å; F137-L175 HydrophobicContact CD2-CD1 4.35Å; F137-L175 HydrophobicContact CD2-CD2 3.83Å; F137-L175 HydrophobicContact CD2-CG 3.86Å; F137-L175 HydrophobicContact CE2-CD2 4.4Å; F137-L175 HydrophobicContact CE2-CG 4.45Å; F137-Q179 HydrophobicContact CB-CG 4.03Å; F137-Q179 HydrophobicContact CD1-CG 4.06Å; F137-Q179 HydrophobicContact CD2-CG 4.07Å; F137-Q179 HydrophobicContact CG-CG 3.81Å
138S83.8Confident80.3Confident66 Ų6665.5 Ų65.546%0.46234%0.335SS..Hα-helixtrans-68.2-26.3173.5-620000112.9K134 K135 S136 H140 K141K134-S138 VanDerWaalsContact O-CB 3.25Å; K134-S138 WeakPolarHBondContact O-CB 3.3Å; K134-S138 PolarHBondContact O-N 2.95Å; K134-S138 PolarHBondContact O-OG 3.35Å; K135-S138 PolarHBondContact O-N 3.1Å; S136-S138 VanDerWaalsContact C-N 3.28Å; S136-S138 PolarHBondContact O-N 2.82Å; S138-H140 PolarHBondContact O-N 2.84Å; S138-K141 WeakPolarHBondContact O-CG 3.35Å
139S75.1Confident79.8Confident78 Ų7867.6 Ų67.655%0.54535%0.353SS..Hα-helixtrans-72.2-18.7176.375.70000113K135 S136 F137 K141K135-S139 PolarHBondContact O-N 2.94Å; S136-S139 WeakPolarHBondContact O-CB 3.21Å; S136-S139 PolarHBondContact O-N 3.02Å; S136-S139 PolarHBondContact O-OG 2.66Å; F137-S139 VanDerWaalsContact C-N 3.26Å; F137-S139 PolarHBondContact O-N 3.2Å; S139-K141 VanDerWaalsContact C-N 3.29Å; S139-K141 PolarHBondContact O-N 2.83Å
140H67.8Low79.5Confident19 Ų1969.5 Ų69.59%0.08836%0.361CS..THydrogen-bonded Turntrans-81.21.2178.2-62.2-48.6000115S136 F137 S138 D142 T146S136-H140 PolarHBondContact O-CD2 2.85Å; F137-H140 PolarHBondContact O-N 3.3Å; S138-H140 PolarHBondContact O-N 2.84Å; H140-D142 PolarHBondContact O-N 3.01Å; H140-T146 WeakPolarHBondContact CA-OG1 3.5Å; H140-T146 HydrophobicContact CB-CG2 4.49Å; H140-T146 VanDerWaalsContact CE1-CG2 3.49Å; H140-T146 WeakPolarHBondContact CE1-CG2 3.39Å; H140-T146 WeakPolarHBondContact ND1-CG2 3.47Å; H140-T146 PolarHBondContact ND1-OG1 3.13Å
141K62.8Low79.2Confident165 Ų16568.9 Ų68.972%0.71736%0.359SS*.THydrogen-bonded Turntrans-58.5-29.4174.5-72.6-176.1178.2-175.10112.4S138 S139S138-K141 WeakPolarHBondContact O-CG 3.35Å; S139-K141 VanDerWaalsContact C-N 3.29Å; S139-K141 PolarHBondContact O-N 2.83Å
142D57.5Low79.1Confident118 Ų11870.1 Ų70.163%0.63136%0.359SS*.SBendtrans-93.989.2166.8-83.6-46000110.3H140 K144 N145 T146H140-D142 PolarHBondContact O-N 3.01Å; D142-K144 PolarHBondContact O-N 3.05Å; D142-K144 VanDerWaalsContact O-N 3.13Å; D142-N145 PolarHBondContact O-N 3.24Å; D142-T146 PolarHBondContact O-OG1 2.84Å
143L60.7Low79Confident61 Ų6170.7 Ų70.732%0.31936%0.361SS..G310 helixtrans-58.7-28.9-178.3-165.863.6000112.3N145 T146 L148 L183L143-N145 PolarHBondContact O-N 2.73Å; L143-T146 PolarHBondContact O-N 3.11Å; L143-L148 HydrophobicContact CD1-CD2 3.98Å; L143-L183 HydrophobicContact CD1-CD2 4.33Å
144K61.9Low79Confident203 Ų20370.9 Ų70.988%0.88336%0.362SS*.G310 helixtrans-59.8-28.1-179.5-70-172.7179.5-179.30114.2D142D142-K144 PolarHBondContact O-N 3.05Å; D142-K144 VanDerWaalsContact O-N 3.13Å
145N59.4Low79.1Confident147 Ų14767.3 Ų67.379%0.78635%0.347SS*.G310 helixtrans-108.35.3-177.7-70.687.1000113.2D142 L143D142-N145 PolarHBondContact O-N 3.24Å; L143-N145 PolarHBondContact O-N 2.73Å
146T66.3Low79.3Confident18 Ų1861 Ų6111%0.1132%0.319CS..  trans-84.3130.1-176.2-710000111.4H140 D142 L143 L148 L151H140-T146 WeakPolarHBondContact CA-OG1 3.5Å; H140-T146 HydrophobicContact CB-CG2 4.49Å; H140-T146 VanDerWaalsContact CE1-CG2 3.49Å; H140-T146 WeakPolarHBondContact CE1-CG2 3.39Å; H140-T146 WeakPolarHBondContact ND1-CG2 3.47Å; H140-T146 PolarHBondContact ND1-OG1 3.13Å; D142-T146 PolarHBondContact O-OG1 2.84Å; L143-T146 PolarHBondContact O-N 3.11Å; T146-L148 VanDerWaalsContact C-N 3.34Å; T146-L148 HydrophobicContact CG2-CD2 4.33Å; T146-L148 PolarHBondContact O-N 2.83Å; T146-L151 HydrophobicContact CG2-CB 4.25Å; T146-L151 HydrophobicContact CG2-CD2 4.11Å
147N78.4Confident79.6Confident79 Ų7960.1 Ų60.142%0.42231%0.313SS..  trans-69.991.6168.9-173.8-23.3000109.6S149 K150 L151N147-S149 PolarHBondContact O-N 3.41Å; N147-S149 VanDerWaalsContact O-N 3.16Å; N147-S149 WeakPolarHBondContact OD1-CB 3.5Å; N147-S149 PolarHBondContact OD1-N 3.5Å; N147-K150 HydrophobicContact CB-CB 4.02Å; N147-K150 WeakPolarHBondContact O-CB 3.36Å; N147-K150 PolarHBondContact O-N 3.4Å; N147-K150 PolarHBondContact OD1-N 3.19Å; N147-L151 PolarHBondContact O-N 3.46Å
148L81.8Confident79.9Confident65 Ų6560.1 Ų60.134%0.3431%0.313SS..Hα-helixtrans-55.6-33.1-177.5-58.4179.3000112.4L143 T146 L151 R152 I196L143-L148 HydrophobicContact CD1-CD2 3.98Å; T146-L148 VanDerWaalsContact C-N 3.34Å; T146-L148 HydrophobicContact CG2-CD2 4.33Å; T146-L148 PolarHBondContact O-N 2.83Å; L148-L151 PolarHBondContact O-N 2.85Å; L148-R152 WeakPolarHBondContact O-CG 3.29Å; L148-R152 PolarHBondContact O-N 3.46Å; L148-R152 VanDerWaalsContact O-N 3.08Å; L148-I196 HydrophobicContact CB-CD1 4.06Å; L148-I196 HydrophobicContact CD2-CD1 3.83Å; L148-I196 HydrophobicContact CG-CD1 4.36Å
149S85Confident80.3Confident86 Ų8657 Ų5760%0.60129%0.291SS*.Hα-helixtrans-67.1-38.9177.2-52.20000112.1N147N147-S149 PolarHBondContact O-N 3.41Å; N147-S149 VanDerWaalsContact O-N 3.16Å; N147-S149 WeakPolarHBondContact OD1-CB 3.5Å; N147-S149 PolarHBondContact OD1-N 3.5Å
150K89.7Confident81.2Confident40 Ų4053.4 Ų53.417%0.17427%0.266CS..Hα-helixtrans-68.3-45.9173.8-173.2179.1-177.4-75.50110.6V99 N147 R152 V153 D154V99-K150 WeakPolarHBondContact O-CE 3.45Å; V99-K150 PolarHBondContact O-NZ 3.44Å; N147-K150 HydrophobicContact CB-CB 4.02Å; N147-K150 WeakPolarHBondContact O-CB 3.36Å; N147-K150 PolarHBondContact O-N 3.4Å; N147-K150 PolarHBondContact OD1-N 3.19Å; K150-R152 VanDerWaalsContact C-N 3.26Å; K150-R152 PolarHBondContact O-N 3.23Å; K150-V153 PolarHBondContact O-N 3.49Å; K150-D154 IonicContact NZ-OD1 3.64Å; K150-D154 IonicContact NZ-OD2 2.76Å; K150-D154 PolarHBondContact NZ-OD2 3.49Å; K150-D154 WeakPolarHBondContact O-CB 3.37Å; K150-D154 PolarHBondContact O-N 2.84Å
151L89.9Confident82.5Confident3 Ų352.5 Ų52.52%0.01626%0.262CS..Hα-helixtrans-56.4-39.3179.6-177.660.9000112.4F137 T146 N147 L148 V153 D154 L155 L183F137-L151 HydrophobicContact CD1-CD1 4.47Å; F137-L151 HydrophobicContact CE1-CD1 4.27Å; T146-L151 HydrophobicContact CG2-CB 4.25Å; T146-L151 HydrophobicContact CG2-CD2 4.11Å; N147-L151 PolarHBondContact O-N 3.46Å; L148-L151 PolarHBondContact O-N 2.85Å; L151-V153 VanDerWaalsContact C-N 3.33Å; L151-V153 PolarHBondContact O-N 3.26Å; L151-D154 PolarHBondContact O-N 3.3Å; L151-L155 HydrophobicContact CD1-CD1 4.31Å; L151-L155 HydrophobicContact CD1-CD2 4.39Å; L151-L155 HydrophobicContact CD1-CG 4.04Å; L151-L155 HydrophobicContact CG-CD1 4.13Å; L151-L155 HydrophobicContact CG-CG 4.33Å; L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.18Å; L151-L155 PolarHBondContact O-N 2.87Å; L151-L183 HydrophobicContact CD2-CD1 4.32Å; L151-L183 HydrophobicContact CD2-CD2 4.13Å
152R91.7Very high83.9Confident91 Ų9145 Ų4534%0.34323%0.23SC..Hα-helixtrans-54.3-46.7174.9-76177-170.1-144.63112.9L148 K150 G195 I196L148-R152 WeakPolarHBondContact O-CG 3.29Å; L148-R152 PolarHBondContact O-N 3.46Å; L148-R152 VanDerWaalsContact O-N 3.08Å; K150-R152 VanDerWaalsContact C-N 3.26Å; K150-R152 PolarHBondContact O-N 3.23Å; R152-G195 PolarHBondContact NH1-O 3.46Å; R152-I196 HydrophobicContact CG-CB 4.03Å; R152-I196 HydrophobicContact CG-CG1 3.81Å; R152-I196 HydrophobicContact CG-CG2 3.85Å
153V93.1Very high85.4Confident19 Ų1939.8 Ų39.812%0.11520%0.202CC..Hα-helixtrans-78.5-37.4-177.6-171.70000110.7I103 I108 K150 L151 L155 A156 L157I103-V153 HydrophobicContact CD1-CG1 3.76Å; I103-V153 HydrophobicContact CG1-CG1 3.69Å; I108-V153 HydrophobicContact CD1-CG1 4.38Å; I108-V153 HydrophobicContact CG1-CG1 4.48Å; K150-V153 PolarHBondContact O-N 3.49Å; L151-V153 VanDerWaalsContact C-N 3.33Å; L151-V153 PolarHBondContact O-N 3.26Å; V153-L155 PolarHBondContact O-N 3.39Å; V153-A156 PolarHBondContact O-N 3.08Å; V153-L157 PolarHBondContact O-N 3.06Å
154D93.4Very high86.9Confident3 Ų336.9 Ų36.92%0.01619%0.187CC..Hα-helixtrans-60.5-42.3177.2-77.8-1.3000112W133 K150 L151 A156 L157 F158W133-D154 HydrophobicContact CH2-CB 4.01Å; W133-D154 HydrophobicContact CZ3-CB 3.79Å; K150-D154 IonicContact NZ-OD1 3.64Å; K150-D154 IonicContact NZ-OD2 2.76Å; K150-D154 PolarHBondContact NZ-OD2 3.49Å; K150-D154 WeakPolarHBondContact O-CB 3.37Å; K150-D154 PolarHBondContact O-N 2.84Å; L151-D154 PolarHBondContact O-N 3.3Å; D154-A156 PolarHBondContact O-N 3.42Å; D154-L157 PolarHBondContact O-N 2.89Å; D154-F158 WeakPolarHBondContact O-CB 3.37Å; D154-F158 PolarHBondContact O-N 3.46Å
155L94.3Very high88.3Confident0 Ų028 Ų280%015%0.153CC..Hα-helixtrans-62.7-41.6176.1-70.4170.2000112F137 L151 V153 A159 L176 Q179 L183 I196 F200F137-L155 HydrophobicContact CE1-CD2 4.22Å; F137-L155 HydrophobicContact CZ-CD2 4.4Å; L151-L155 HydrophobicContact CD1-CD1 4.31Å; L151-L155 HydrophobicContact CD1-CD2 4.39Å; L151-L155 HydrophobicContact CD1-CG 4.04Å; L151-L155 HydrophobicContact CG-CD1 4.13Å; L151-L155 HydrophobicContact CG-CG 4.33Å; L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.18Å; L151-L155 PolarHBondContact O-N 2.87Å; V153-L155 PolarHBondContact O-N 3.39Å; L155-A159 WeakPolarHBondContact O-CB 3.16Å; L155-A159 PolarHBondContact O-N 3.44Å; L155-L176 HydrophobicContact CD2-CD1 3.53Å; L155-Q179 HydrophobicContact CD2-CB 4.19Å; L155-L183 HydrophobicContact CD1-CD1 3.73Å; L155-I196 HydrophobicContact CD1-CG2 3.82Å; L155-F200 HydrophobicContact CB-CD2 3.9Å; L155-F200 HydrophobicContact CB-CE2 4.42Å
156A94Very high89.8Confident0 Ų021 Ų210%012%0.116CC..Hα-helixtrans-67.8-46.317800000111.8L105 I108 V153 D154 F158 A159 D160 H203L105-A156 HydrophobicContact CD1-CB 3.82Å; I108-A156 HydrophobicContact CD1-CB 3.71Å; V153-A156 PolarHBondContact O-N 3.08Å; D154-A156 PolarHBondContact O-N 3.42Å; A156-F158 PolarHBondContact O-N 3.03Å; A156-A159 WeakPolarHBondContact O-CB 3.43Å; A156-A159 PolarHBondContact O-N 3.01Å; A156-D160 PolarHBondContact O-N 3.32Å; A156-D160 VanDerWaalsContact O-N 3.12Å; A156-H203 HydrophobicContact CB-CB 4.21Å
157L95.4Very high90.9Very high1 Ų121 Ų211%0.00511%0.114CC..Hα-helixtrans-61-47.1175.3175.961.3000110.7I103 I108 M111 L112 W133 V153 D154 A159 D160 L161I103-L157 HydrophobicContact CD1-CB 4.33Å; I103-L157 HydrophobicContact CD1-CD2 3.61Å; I103-L157 HydrophobicContact CD1-CG 4.45Å; I108-L157 HydrophobicContact CG1-CB 4.45Å; I108-L157 HydrophobicContact CG2-CD1 4.31Å; M111-L157 HydrophobicContact CB-CD1 4.1Å; L112-L157 HydrophobicContact CD2-CD1 4.05Å; W133-L157 HydrophobicContact CH2-CD2 4.26Å; W133-L157 HydrophobicContact CZ2-CD2 3.88Å; W133-L157 HydrophobicContact CZ2-CG 4.3Å; V153-L157 PolarHBondContact O-N 3.06Å; D154-L157 PolarHBondContact O-N 2.89Å; L157-A159 VanDerWaalsContact C-N 3.33Å; L157-A159 PolarHBondContact O-N 3.25Å; L157-D160 PolarHBondContact O-N 3.27Å; L157-D160 VanDerWaalsContact O-N 3.11Å; L157-L161 HydrophobicContact CD1-CD1 4.33Å; L157-L161 HydrophobicContact CD1-CD2 4.4Å; L157-L161 HydrophobicContact CD1-CG 4.11Å; L157-L161 HydrophobicContact CG-CD1 3.96Å; L157-L161 HydrophobicContact CG-CG 4.22Å; L157-L161 VanDerWaalsContact O-CG 3.24Å; L157-L161 WeakPolarHBondContact O-CG 3.44Å; L157-L161 PolarHBondContact O-N 3.46Å
158F95.3Very high90.6Very high0 Ų023.3 Ų23.30%012%0.117CC..Hα-helixtrans-63.6-37.6-178.7-168.4-97000112.6F130 W133 F137 D154 A156 D160 L161 N162 F167 G172 L175 L176F130-F158 HydrophobicContact CD2-CZ 4.42Å; F130-F158 HydrophobicContact CE2-CZ 4.22Å; W133-F158 HydrophobicContact CB-CD2 3.98Å; W133-F158 HydrophobicContact CB-CE2 3.54Å; W133-F158 AromaticContact CD1-CD2 3.82Å; W133-F158 AromaticContact CD1-CE2 3.82Å; W133-F158 AromaticContact CD2-CD2 3.48Å; W133-F158 HydrophobicContact CD2-CD2 3.48Å; W133-F158 VanDerWaalsContact CD2-CD2 3.48Å; W133-F158 HydrophobicContact CD2-CE2 4.01Å; W133-F158 AromaticContact CE2-CD2 3.83Å; W133-F158 AromaticContact CE3-CD2 3.97Å; W133-F158 HydrophobicContact CE3-CD2 3.97Å; W133-F158 AromaticContact CG-CD2 3.48Å; W133-F158 HydrophobicContact CG-CD2 3.48Å; W133-F158 VanDerWaalsContact CG-CD2 3.48Å; W133-F158 AromaticContact CG-CE2 3.49Å; W133-F158 HydrophobicContact CG-CE2 3.49Å; W133-F158 VanDerWaalsContact CG-CE2 3.49Å; W133-F158 AromaticContact NE1-CD2 3.99Å; F137-F158 HydrophobicContact CE2-CB 4.23Å; F137-F158 AromaticContact CE2-CD1 3.76Å; F137-F158 HydrophobicContact CE2-CD1 3.76Å; F137-F158 AromaticContact CE2-CD2 3.79Å; F137-F158 HydrophobicContact CE2-CD2 3.79Å; F137-F158 AromaticContact CE2-CE1 3.99Å; F137-F158 HydrophobicContact CE2-CE1 3.99Å; F137-F158 HydrophobicContact CE2-CE2 4.04Å; F137-F158 AromaticContact CE2-CG 3.64Å; F137-F158 HydrophobicContact CE2-CG 3.64Å; F137-F158 HydrophobicContact CE2-CZ 4.14Å; F137-F158 HydrophobicContact CZ-CB 3.91Å; F137-F158 HydrophobicContact CZ-CD1 4.18Å; F137-F158 HydrophobicContact CZ-CD2 4.24Å; F137-F158 AromaticContact CZ-CG 3.84Å; F137-F158 HydrophobicContact CZ-CG 3.84Å; D154-F158 WeakPolarHBondContact O-CB 3.37Å; D154-F158 PolarHBondContact O-N 3.46Å; A156-F158 PolarHBondContact O-N 3.03Å; F158-D160 VanDerWaalsContact C-N 3.34Å; F158-L161 PolarHBondContact O-N 3.06Å; F158-N162 VanDerWaalsContact CE1-ND2 3.35Å; F158-N162 WeakPolarHBondContact CE1-ND2 3.45Å; F158-N162 PolarHBondContact O-N 3.32Å; F158-N162 PolarHBondContact O-ND2 3.22Å; F158-F167 AromaticContact CD2-CE2 3.76Å; F158-F167 HydrophobicContact CD2-CE2 3.76Å; F158-F167 HydrophobicContact CD2-CZ 4.14Å; F158-F167 HydrophobicContact CE2-CD2 4.13Å; F158-F167 AromaticContact CE2-CE2 3.32Å; F158-F167 HydrophobicContact CE2-CE2 3.32Å; F158-F167 AromaticContact CE2-CZ 3.66Å; F158-F167 HydrophobicContact CE2-CZ 3.66Å; F158-F167 HydrophobicContact CZ-CD2 4.2Å; F158-F167 AromaticContact CZ-CE2 3.83Å; F158-F167 HydrophobicContact CZ-CE2 3.83Å; F158-F167 HydrophobicContact CZ-CZ 4.46Å; F158-G172 WeakPolarHBondContact CE1-O 3.34Å; F158-L175 HydrophobicContact CE1-CB 4.39Å; F158-L175 HydrophobicContact CE1-CD2 4.46Å; F158-L175 HydrophobicContact CE2-CD2 4.45Å; F158-L175 HydrophobicContact CZ-CB 4.37Å; F158-L175 HydrophobicContact CZ-CD2 3.84Å; F158-L175 HydrophobicContact CZ-CG 4.35Å; F158-L176 HydrophobicContact CD1-CB 3.85Å; F158-L176 HydrophobicContact CD1-CD1 4.05Å; F158-L176 HydrophobicContact CD1-CD2 4.39Å; F158-L176 HydrophobicContact CD1-CG 4.3Å; F158-L176 HydrophobicContact CE1-CB 3.89Å
159A93.5Very high90.1Very high0 Ų025.3 Ų25.30%013%0.128CC..Hα-helixtrans-58.8-44.5170.900000112.4L155 A156 L157 N162 T163 L176 F200 C204 W208L155-A159 WeakPolarHBondContact O-CB 3.16Å; L155-A159 PolarHBondContact O-N 3.44Å; A156-A159 WeakPolarHBondContact O-CB 3.43Å; A156-A159 PolarHBondContact O-N 3.01Å; L157-A159 VanDerWaalsContact C-N 3.33Å; L157-A159 PolarHBondContact O-N 3.25Å; A159-N162 WeakPolarHBondContact O-CB 3.49Å; A159-N162 PolarHBondContact O-N 2.76Å; A159-T163 PolarHBondContact O-N 3.19Å; A159-T163 VanDerWaalsContact O-N 3.12Å; A159-T163 PolarHBondContact O-OG1 3.35Å; A159-L176 HydrophobicContact CB-CD2 3.74Å; A159-F200 HydrophobicContact CB-CE2 3.91Å; A159-F200 HydrophobicContact CB-CZ 4.34Å; A159-C204 WeakPolarHBondContact CB-SG 3.46Å; A159-W208 HydrophobicContact CB-CZ2 4.39Å
160D93.4Very high90Very high3 Ų323.5 Ų23.52%0.01612%0.118CC..Hα-helixtrans-71.2-34.7-179.7-76-1.1000112.6R30 I108 L112 A156 L157 F158 N162 T163 I164 H203R30-D160 IonicContact CZ-OD1 2.68Å; R30-D160 IonicContact CZ-OD2 3.49Å; R30-D160 IonicContact NE-OD1 3.86Å; R30-D160 PolarHBondContact NE-OD1 2.79Å; R30-D160 IonicContact NE-OD2 3.64Å; R30-D160 IonicContact NH2-OD1 2.77Å; R30-D160 PolarHBondContact NH2-OD1 2.81Å; R30-D160 IonicContact NH2-OD2 3.18Å; R30-D160 PolarHBondContact NH2-OD2 3.41Å; I108-D160 HydrophobicContact CG2-CB 4.4Å; I108-D160 WeakPolarHBondContact CG2-OD2 3.47Å; L112-D160 HydrophobicContact CD1-CB 3.78Å; L112-D160 HydrophobicContact CD2-CB 3.64Å; L112-D160 HydrophobicContact CG-CB 4.25Å; A156-D160 PolarHBondContact O-N 3.32Å; A156-D160 VanDerWaalsContact O-N 3.12Å; L157-D160 PolarHBondContact O-N 3.27Å; L157-D160 VanDerWaalsContact O-N 3.11Å; F158-D160 VanDerWaalsContact C-N 3.34Å; D160-N162 VanDerWaalsContact C-N 3.27Å; D160-N162 PolarHBondContact O-N 2.93Å; D160-T163 WeakPolarHBondContact O-CA 3.45Å; D160-T163 WeakPolarHBondContact O-CB 3.49Å; D160-T163 PolarHBondContact O-N 2.93Å; D160-I164 PolarHBondContact O-N 2.7Å; D160-H203 IonicContact OD1-CD2 3.22Å; D160-H203 IonicContact OD1-NE2 2.71Å; D160-H203 IonicContact OD2-CD2 3.17Å; D160-H203 IonicContact OD2-CE1 2.73Å; D160-H203 IonicContact OD2-NE2 3.71Å; D160-H203 PolarHBondContact OD2-NE2 2.72Å
161L94.7Very high89.9Confident0 Ų024.2 Ų24.20%012%0.124CC..Hα-helixtrans-61.2-36.4173.2-69.6171.7000112.2L112 C115 F129 W133 L157 F158 I166 F167L112-L161 HydrophobicContact CD2-CD2 3.95Å; L112-L161 HydrophobicContact CD2-CG 4.31Å; C115-L161 HydrophobicContact CB-CD2 3.76Å; F129-L161 HydrophobicContact CE1-CD1 3.41Å; F129-L161 VanDerWaalsContact CE1-CD1 3.41Å; F129-L161 HydrophobicContact CE1-CD2 3.85Å; F129-L161 HydrophobicContact CE1-CG 4.24Å; F129-L161 HydrophobicContact CZ-CD1 3.65Å; F129-L161 HydrophobicContact CZ-CD2 4.47Å; W133-L161 HydrophobicContact CZ2-CD1 4.04Å; L157-L161 HydrophobicContact CD1-CD1 4.33Å; L157-L161 HydrophobicContact CD1-CD2 4.4Å; L157-L161 HydrophobicContact CD1-CG 4.11Å; L157-L161 HydrophobicContact CG-CD1 3.96Å; L157-L161 HydrophobicContact CG-CG 4.22Å; L157-L161 VanDerWaalsContact O-CG 3.24Å; L157-L161 WeakPolarHBondContact O-CG 3.44Å; L157-L161 PolarHBondContact O-N 3.46Å; F158-L161 PolarHBondContact O-N 3.06Å; L161-I166 HydrophobicContact CD2-CD1 3.45Å; L161-I166 VanDerWaalsContact CD2-CD1 3.45Å; L161-I166 PolarHBondContact O-N 3.26Å; L161-F167 HydrophobicContact CB-CD2 4.37Å; L161-F167 HydrophobicContact CB-CE2 3.65Å; L161-F167 HydrophobicContact CB-CZ 4.22Å; L161-F167 HydrophobicContact CD1-CE2 4.28Å; L161-F167 HydrophobicContact CD1-CZ 4.19Å
162N91.8Very high89.8Confident8 Ų824.1 Ų24.14%0.04312%0.123CC..Hα-helixtrans-66.7-39.1170.6-78.7-89.7000111.1F158 A159 D160 I164 G165 G172 I173 W208 F232F158-N162 VanDerWaalsContact CE1-ND2 3.35Å; F158-N162 WeakPolarHBondContact CE1-ND2 3.45Å; F158-N162 PolarHBondContact O-N 3.32Å; F158-N162 PolarHBondContact O-ND2 3.22Å; A159-N162 WeakPolarHBondContact O-CB 3.49Å; A159-N162 PolarHBondContact O-N 2.76Å; D160-N162 VanDerWaalsContact C-N 3.27Å; D160-N162 PolarHBondContact O-N 2.93Å; N162-I164 PolarHBondContact O-N 3.07Å; N162-G165 PolarHBondContact O-N 2.91Å; N162-G172 WeakPolarHBondContact OD1-CA 3.33Å; N162-I173 PolarHBondContact OD1-N 2.7Å; N162-W208 HydrophobicContact CB-CZ2 4.26Å; N162-F232 HydrophobicContact CB-CZ 4.15Å; N162-F232 WeakPolarHBondContact O-CE2 3.25Å
163T90.3Very high89.7Confident8 Ų821.4 Ų21.45%0.04912%0.115CC..Hα-helixtrans-66.1-35.5-178.6-51.70000112.8R30 A159 D160 G165 F232R30-T163 HydrophobicContact CB-CG2 4.42Å; A159-T163 PolarHBondContact O-N 3.19Å; A159-T163 VanDerWaalsContact O-N 3.12Å; A159-T163 PolarHBondContact O-OG1 3.35Å; D160-T163 WeakPolarHBondContact O-CA 3.45Å; D160-T163 WeakPolarHBondContact O-CB 3.49Å; D160-T163 PolarHBondContact O-N 2.93Å; T163-G165 VanDerWaalsContact C-N 3.32Å; T163-F232 HydrophobicContact CG2-CB 4.24Å; T163-F232 HydrophobicContact CG2-CD1 4.39Å; T163-F232 HydrophobicContact CG2-CD2 4.05Å; T163-F232 HydrophobicContact CG2-CG 3.96Å
164I92.4Very high89.6Confident0 Ų027.4 Ų27.40%014%0.136CC..THydrogen-bonded Turntrans-89.210.1177.566.6166.3000114.3R30 L33 N37 L112 D160 N162 I166R30-I164 HydrophobicContact CB-CG2 4.08Å; R30-I164 HydrophobicContact CG-CG2 4.12Å; L33-I164 HydrophobicContact CB-CB 4.19Å; L33-I164 HydrophobicContact CB-CG2 4.01Å; L33-I164 HydrophobicContact CD1-CD1 4.34Å; L33-I164 HydrophobicContact CD1-CG2 4.43Å; N37-I164 PolarHBondContact ND2-O 2.92Å; L112-I164 HydrophobicContact CB-CD1 4.15Å; L112-I164 HydrophobicContact CD2-CD1 3.82Å; L112-I164 HydrophobicContact CD2-CG1 4.37Å; D160-I164 PolarHBondContact O-N 2.7Å; N162-I164 PolarHBondContact O-N 3.07Å; I164-I166 HydrophobicContact CD1-CD1 3.43Å; I164-I166 VanDerWaalsContact CD1-CD1 3.43Å; I164-I166 HydrophobicContact CD1-CG1 4.08Å; I164-I166 HydrophobicContact CG1-CD1 3.82Å; I164-I166 HydrophobicContact CG1-CG1 4.05Å; I164-I166 PolarHBondContact O-N 3.34Å
165G89.8Confident89.5Confident16 Ų1628.8 Ų28.817%0.16514%0.143CC..THydrogen-bonded Turntrans73.723169.200000116.1N162 T163N162-G165 PolarHBondContact O-N 2.91Å; T163-G165 VanDerWaalsContact C-N 3.32Å
166I90.9Very high89.4Confident2 Ų228.8 Ų28.81%0.0114%0.143CC..SBendtrans-69.5-39.9177.3-73.1168.5000111.1C115 Y119 F129 L161 I164C115-I166 HydrophobicContact CB-CD1 3.6Å; Y119-I166 HydrophobicContact CD2-CB 4.41Å; Y119-I166 HydrophobicContact CD2-CG1 4.35Å; Y119-I166 HydrophobicContact CD2-CG2 4.03Å; Y119-I166 HydrophobicContact CE2-CG2 4.45Å; Y119-I166 WeakPolarHBondContact CE2-O 3.46Å; Y119-I166 HydrophobicContact CG-CG1 4.25Å; F129-I166 HydrophobicContact CD1-CG2 4.06Å; L161-I166 HydrophobicContact CD2-CD1 3.45Å; L161-I166 VanDerWaalsContact CD2-CD1 3.45Å; L161-I166 PolarHBondContact O-N 3.26Å; I164-I166 HydrophobicContact CD1-CD1 3.43Å; I164-I166 VanDerWaalsContact CD1-CD1 3.43Å; I164-I166 HydrophobicContact CD1-CG1 4.08Å; I164-I166 HydrophobicContact CG1-CD1 3.82Å; I164-I166 HydrophobicContact CG1-CG1 4.05Å; I164-I166 PolarHBondContact O-N 3.34Å
167F90.5Very high89.2Confident17 Ų1730.7 Ų30.78%0.07516%0.159CC..  trans-94107.9174.4-49.2-52.7000108.9F129 F130 W133 F158 L161F129-F167 AromaticContact CD1-CE1 3.87Å; F129-F167 HydrophobicContact CD1-CE1 3.87Å; F129-F167 AromaticContact CD1-CZ 3.91Å; F129-F167 HydrophobicContact CD1-CZ 3.91Å; F129-F167 HydrophobicContact CE1-CZ 4.19Å; F129-F167 HydrophobicContact CG-CE1 4.46Å; F130-F167 HydrophobicContact CB-CD1 3.75Å; F130-F167 HydrophobicContact CB-CE1 3.81Å; F130-F167 AromaticContact CD2-CD1 3.91Å; F130-F167 HydrophobicContact CD2-CD1 3.91Å; F130-F167 HydrophobicContact CD2-CE1 4.12Å; F130-F167 HydrophobicContact CD2-CG 4.22Å; F130-F167 HydrophobicContact CG-CD1 4.13Å; F130-F167 HydrophobicContact CG-CE1 4.42Å; W133-F167 AromaticContact CD1-CZ 3.62Å; W133-F167 HydrophobicContact CG-CZ 4.49Å; F158-F167 AromaticContact CD2-CE2 3.76Å; F158-F167 HydrophobicContact CD2-CE2 3.76Å; F158-F167 HydrophobicContact CD2-CZ 4.14Å; F158-F167 HydrophobicContact CE2-CD2 4.13Å; F158-F167 AromaticContact CE2-CE2 3.32Å; F158-F167 HydrophobicContact CE2-CE2 3.32Å; F158-F167 AromaticContact CE2-CZ 3.66Å; F158-F167 HydrophobicContact CE2-CZ 3.66Å; F158-F167 HydrophobicContact CZ-CD2 4.2Å; F158-F167 AromaticContact CZ-CE2 3.83Å; F158-F167 HydrophobicContact CZ-CE2 3.83Å; F158-F167 HydrophobicContact CZ-CZ 4.46Å; L161-F167 HydrophobicContact CB-CD2 4.37Å; L161-F167 HydrophobicContact CB-CE2 3.65Å; L161-F167 HydrophobicContact CB-CZ 4.22Å; L161-F167 HydrophobicContact CD1-CE2 4.28Å; L161-F167 HydrophobicContact CD1-CZ 4.19Å
168R71.3Confident89Confident128 Ų12832.4 Ų32.448%0.48318%0.177SC..  trans-76.9-25-176.1-69.8-169.3172.4155.213.5113.8A41 Y119A41-R168 VanDerWaalsContact CA-NH2 3.33Å; Y119-R168 PolarHBondContact OH-NE 3.42Å; Y119-R168 PolarHBondContact OH-NH2 3.42Å
169D71.5Confident88.8Confident106 Ų10633.6 Ų33.657%0.56718%0.183SC*.SBendtrans-87.8147.9-176.8-58.7-38.3000111D171 G172D169-D171 HydrophobicContact CB-CB 4.02Å; D169-D171 PolarHBondContact O-N 3.06Å; D169-G172 PolarHBondContact O-N 3.32Å
170A83Confident88.7Confident48 Ų4833.7 Ų33.740%0.39718%0.183SC..Hα-helixtrans-57.2-11.7171.900000112.8G172 I173 R174A170-G172 VanDerWaalsContact C-N 3.31Å; A170-G172 PolarHBondContact O-N 2.63Å; A170-I173 PolarHBondContact O-N 3.02Å; A170-R174 WeakPolarHBondContact O-CG 3.39Å; A170-R174 PolarHBondContact O-N 3.23Å; A170-R174 PolarHBondContact O-NH1 3.42Å
171D87Confident88.6Confident55 Ų5536.8 Ų36.829%0.29420%0.202SC..Hα-helixtrans-60.2-36.4177.6-66.426.9000112.6F130 D169 R174 L175F130-D171 HydrophobicContact CE1-CB 3.69Å; F130-D171 HydrophobicContact CZ-CB 3.56Å; D169-D171 HydrophobicContact CB-CB 4.02Å; D169-D171 PolarHBondContact O-N 3.06Å; D171-R174 PolarHBondContact O-N 3.47Å; D171-R174 IonicContact OD1-CZ 2.79Å; D171-R174 IonicContact OD1-NH1 2.72Å; D171-R174 PolarHBondContact OD1-NH1 3.39Å; D171-R174 IonicContact OD1-NH2 3.57Å; D171-R174 PolarHBondContact OD1-NH2 2.97Å; D171-R174 IonicContact OD2-NH2 3.42Å; D171-R174 PolarHBondContact OD2-NH2 3.37Å; D171-L175 WeakPolarHBondContact O-CB 3.47Å; D171-L175 PolarHBondContact O-N 3.39Å
172G89.4Confident88.3Confident1 Ų139.5 Ų39.51%0.0122%0.216CC..Hα-helixtrans-60.9-48.9176.100000111.8F158 N162 D169 A170 R174 L175 L176F158-G172 WeakPolarHBondContact CE1-O 3.34Å; N162-G172 WeakPolarHBondContact OD1-CA 3.33Å; D169-G172 PolarHBondContact O-N 3.32Å; A170-G172 VanDerWaalsContact C-N 3.31Å; A170-G172 PolarHBondContact O-N 2.63Å; G172-R174 PolarHBondContact O-N 2.93Å; G172-L175 PolarHBondContact O-N 2.98Å; G172-L176 PolarHBondContact O-N 2.92Å; G172-L176 VanDerWaalsContact O-N 3.16Å
173I88.9Confident88.2Confident35 Ų3539.6 Ų39.618%0.17922%0.217CC..Hα-helixtrans-63.6-43.6177.5-60.8173.7000110.6N162 A170 L175 L176 A177 W208N162-I173 PolarHBondContact OD1-N 2.7Å; A170-I173 PolarHBondContact O-N 3.02Å; I173-L175 VanDerWaalsContact C-N 3.31Å; I173-L175 PolarHBondContact O-N 3.24Å; I173-L176 PolarHBondContact O-N 2.8Å; I173-A177 WeakPolarHBondContact O-CB 3.44Å; I173-A177 PolarHBondContact O-N 3.49Å; I173-W208 HydrophobicContact CB-CH2 4.36Å; I173-W208 HydrophobicContact CG1-CH2 4.4Å; I173-W208 HydrophobicContact CG2-CH2 3.96Å; I173-W208 HydrophobicContact CG2-CZ3 4.07Å
174R90.9Very high88.2Confident145 Ų14539.8 Ų39.855%0.54722%0.219SC..Hα-helixtrans-62.9-37177.5-68.9-164.6-46.2-84.19.1112.3A170 D171 G172 G178A170-R174 WeakPolarHBondContact O-CG 3.39Å; A170-R174 PolarHBondContact O-N 3.23Å; A170-R174 PolarHBondContact O-NH1 3.42Å; D171-R174 PolarHBondContact O-N 3.47Å; D171-R174 IonicContact OD1-CZ 2.79Å; D171-R174 IonicContact OD1-NH1 2.72Å; D171-R174 PolarHBondContact OD1-NH1 3.39Å; D171-R174 IonicContact OD1-NH2 3.57Å; D171-R174 PolarHBondContact OD1-NH2 2.97Å; D171-R174 IonicContact OD2-NH2 3.42Å; D171-R174 PolarHBondContact OD2-NH2 3.37Å; G172-R174 PolarHBondContact O-N 2.93Å; R174-G178 PolarHBondContact O-N 3.34Å
175L91.6Very high87.9Confident31 Ų3141.9 Ų41.916%0.16224%0.236CC..Hα-helixtrans-64.1-47.9177.5-177.159.5000111.1F130 K134 F137 F158 D171 G172 I173 G178 Q179F130-L175 HydrophobicContact CD2-CD2 4.48Å; F130-L175 HydrophobicContact CE2-CB 4.36Å; F130-L175 HydrophobicContact CE2-CD2 3.73Å; F130-L175 HydrophobicContact CZ-CD2 4.34Å; K134-L175 HydrophobicContact CG-CD2 3.75Å; F137-L175 HydrophobicContact CD2-CD1 4.35Å; F137-L175 HydrophobicContact CD2-CD2 3.83Å; F137-L175 HydrophobicContact CD2-CG 3.86Å; F137-L175 HydrophobicContact CE2-CD2 4.4Å; F137-L175 HydrophobicContact CE2-CG 4.45Å; F158-L175 HydrophobicContact CE1-CB 4.39Å; F158-L175 HydrophobicContact CE1-CD2 4.46Å; F158-L175 HydrophobicContact CE2-CD2 4.45Å; F158-L175 HydrophobicContact CZ-CB 4.37Å; F158-L175 HydrophobicContact CZ-CD2 3.84Å; F158-L175 HydrophobicContact CZ-CG 4.35Å; D171-L175 WeakPolarHBondContact O-CB 3.47Å; D171-L175 PolarHBondContact O-N 3.39Å; G172-L175 PolarHBondContact O-N 2.98Å; I173-L175 VanDerWaalsContact C-N 3.31Å; I173-L175 PolarHBondContact O-N 3.24Å; L175-G178 PolarHBondContact O-N 3.35Å; L175-Q179 WeakPolarHBondContact O-CG 3.43Å; L175-Q179 PolarHBondContact O-N 2.87Å; L175-Q179 VanDerWaalsContact O-N 3.07Å
176L91.4Very high87.5Confident0 Ų046 Ų460%026%0.255CS..Hα-helixtrans-64.4-46.1177.7-172.958.8000111.8L155 F158 A159 G172 I173 G178 Q179 L180 F200 W208L155-L176 HydrophobicContact CD2-CD1 3.53Å; F158-L176 HydrophobicContact CD1-CB 3.85Å; F158-L176 HydrophobicContact CD1-CD1 4.05Å; F158-L176 HydrophobicContact CD1-CD2 4.39Å; F158-L176 HydrophobicContact CD1-CG 4.3Å; F158-L176 HydrophobicContact CE1-CB 3.89Å; A159-L176 HydrophobicContact CB-CD2 3.74Å; G172-L176 PolarHBondContact O-N 2.92Å; G172-L176 VanDerWaalsContact O-N 3.16Å; I173-L176 PolarHBondContact O-N 2.8Å; L176-G178 PolarHBondContact O-N 3.26Å; L176-Q179 PolarHBondContact O-N 3.33Å; L176-L180 HydrophobicContact CD1-CG 4.44Å; L176-L180 HydrophobicContact CG-CD1 4.21Å; L176-L180 HydrophobicContact CG-CG 4.41Å; L176-L180 WeakPolarHBondContact O-CG 3.44Å; L176-L180 PolarHBondContact O-N 3.17Å; L176-F200 HydrophobicContact CD1-CE2 4.41Å; L176-F200 HydrophobicContact CD2-CE2 3.99Å; L176-F200 HydrophobicContact CD2-CZ 3.99Å; L176-W208 HydrophobicContact CB-CH2 3.95Å; L176-W208 HydrophobicContact CB-CZ3 4.32Å; L176-W208 HydrophobicContact CD2-CD2 4.21Å; L176-W208 HydrophobicContact CD2-CE3 4.2Å; L176-W208 HydrophobicContact CD2-CH2 3.4Å; L176-W208 HydrophobicContact CD2-CZ2 3.38Å; L176-W208 HydrophobicContact CD2-CZ3 3.81Å; L176-W208 HydrophobicContact CG-CH2 4.11Å; L176-W208 HydrophobicContact CG-CZ3 4.29Å
177A90.6Very high87.3Confident41 Ų4146.3 Ų46.334%0.33926%0.256SS..Hα-helixtrans-57.9-40.3177.300000111.6I173 L180 T181I173-A177 WeakPolarHBondContact O-CB 3.44Å; I173-A177 PolarHBondContact O-N 3.49Å; A177-L180 PolarHBondContact O-N 2.91Å; A177-T181 WeakPolarHBondContact O-CB 3.37Å; A177-T181 PolarHBondContact O-N 3.13Å; A177-T181 PolarHBondContact O-OG1 3.39Å
178G90.6Very high86.7Confident37 Ų3752 Ų5238%0.38128%0.283SS..Hα-helixtrans-61.8-41173.800000113.1R174 L175 L176 L182R174-G178 PolarHBondContact O-N 3.34Å; L175-G178 PolarHBondContact O-N 3.35Å; L176-G178 PolarHBondContact O-N 3.26Å; G178-L182 WeakPolarHBondContact O-CB 3.46Å; G178-L182 PolarHBondContact O-N 2.87Å
179Q90.8Very high87Confident25 Ų2551.3 Ų51.312%0.11729%0.289CS..Hα-helixtrans-67.9-42.9176.6-66.2-54.1-52.100112.7F137 L155 L175 L176 T181 L182 L183F137-Q179 HydrophobicContact CB-CG 4.03Å; F137-Q179 HydrophobicContact CD1-CG 4.06Å; F137-Q179 HydrophobicContact CD2-CG 4.07Å; F137-Q179 HydrophobicContact CG-CG 3.81Å; L155-Q179 HydrophobicContact CD2-CB 4.19Å; L175-Q179 WeakPolarHBondContact O-CG 3.43Å; L175-Q179 PolarHBondContact O-N 2.87Å; L175-Q179 VanDerWaalsContact O-N 3.07Å; L176-Q179 PolarHBondContact O-N 3.33Å; Q179-T181 VanDerWaalsContact C-N 3.34Å; Q179-L182 PolarHBondContact O-N 3.25Å; Q179-L183 WeakPolarHBondContact O-CG 3.37Å; Q179-L183 PolarHBondContact O-N 2.95Å
180L91.7Very high87.4Confident1 Ų152.2 Ų52.21%0.00529%0.294CS..Hα-helixtrans-63.8-42176.1-65.3174.9000111.3L176 A177 L182 L183 A184 L197 F200 L244 F245L176-L180 HydrophobicContact CD1-CG 4.44Å; L176-L180 HydrophobicContact CG-CD1 4.21Å; L176-L180 HydrophobicContact CG-CG 4.41Å; L176-L180 WeakPolarHBondContact O-CG 3.44Å; L176-L180 PolarHBondContact O-N 3.17Å; A177-L180 PolarHBondContact O-N 2.91Å; L180-L182 VanDerWaalsContact C-N 3.35Å; L180-L183 PolarHBondContact O-N 2.95Å; L180-A184 WeakPolarHBondContact O-CB 2.95Å; L180-A184 PolarHBondContact O-N 2.61Å; L180-L197 HydrophobicContact CD2-CD2 4.37Å; L180-F200 HydrophobicContact CD1-CD1 4.24Å; L180-F200 HydrophobicContact CD1-CE1 3.58Å; L180-F200 HydrophobicContact CD1-CE2 4.39Å; L180-F200 HydrophobicContact CD1-CZ 3.67Å; L180-F200 HydrophobicContact CD2-CD1 3.98Å; L180-F200 HydrophobicContact CD2-CD2 4.24Å; L180-F200 HydrophobicContact CD2-CE1 4.12Å; L180-F200 HydrophobicContact CD2-CE2 4.35Å; L180-F200 HydrophobicContact CD2-CG 4.03Å; L180-F200 HydrophobicContact CD2-CZ 4.31Å; L180-L244 HydrophobicContact CB-CD2 4.15Å; L180-F245 HydrophobicContact CD1-CZ 4.28Å; L180-F245 HydrophobicContact CD2-CZ 4.31Å
181T91Very high87.8Confident68 Ų6850.3 Ų50.342%0.41728%0.276SS..Hα-helixtrans-62.4-43.4175.5-540000110.7A177 Q179 L183 A184 A185 L244A177-T181 WeakPolarHBondContact O-CB 3.37Å; A177-T181 PolarHBondContact O-N 3.13Å; A177-T181 PolarHBondContact O-OG1 3.39Å; Q179-T181 VanDerWaalsContact C-N 3.34Å; T181-L183 PolarHBondContact O-N 2.8Å; T181-A184 PolarHBondContact O-N 2.78Å; T181-A185 WeakPolarHBondContact O-CB 3.42Å; T181-A185 PolarHBondContact O-N 3.04Å; T181-L244 HydrophobicContact CG2-CD1 4.45Å
182L89.4Confident87.8Confident58 Ų5851 Ų5130%0.30429%0.286SS..Hα-helixtrans-61.1-43.1176.6-175.869.3000112.1G178 Q179 L180 N186G178-L182 WeakPolarHBondContact O-CB 3.46Å; G178-L182 PolarHBondContact O-N 2.87Å; Q179-L182 PolarHBondContact O-N 3.25Å; L180-L182 VanDerWaalsContact C-N 3.35Å; L182-N186 WeakPolarHBondContact CD1-ND2 3.13Å; L182-N186 VanDerWaalsContact O-CB 3.23Å; L182-N186 WeakPolarHBondContact O-CB 3.4Å; L182-N186 VanDerWaalsContact O-CG 3.27Å; L182-N186 PolarHBondContact O-N 3.25Å
183L89.7Confident87.8Confident10 Ų1051.1 Ų51.15%0.05229%0.286CS..Hα-helixtrans-67.9-39.2180-74.1170.5000112.9L143 L151 L155 Q179 L180 T181 D187 N193 I196 L197L143-L183 HydrophobicContact CD1-CD2 4.33Å; L151-L183 HydrophobicContact CD2-CD1 4.32Å; L151-L183 HydrophobicContact CD2-CD2 4.13Å; L155-L183 HydrophobicContact CD1-CD1 3.73Å; Q179-L183 WeakPolarHBondContact O-CG 3.37Å; Q179-L183 PolarHBondContact O-N 2.95Å; L180-L183 PolarHBondContact O-N 2.95Å; T181-L183 PolarHBondContact O-N 2.8Å; L183-D187 WeakPolarHBondContact O-CB 3.43Å; L183-N193 PolarHBondContact O-ND2 3.44Å; L183-I196 HydrophobicContact CD1-CG2 4.29Å; L183-L197 HydrophobicContact CB-CD2 4.07Å; L183-L197 HydrophobicContact CD1-CD2 4.46Å
184A89.2Confident88Confident11 Ų1150 Ų509%0.09128%0.281CS..Hα-helixtrans-74.7-41.9177.300000111.8L180 T181 L197 L244 Y248L180-A184 WeakPolarHBondContact O-CB 2.95Å; L180-A184 PolarHBondContact O-N 2.61Å; T181-A184 PolarHBondContact O-N 2.78Å; A184-L197 HydrophobicContact CB-CD1 4.44Å; A184-L244 HydrophobicContact CB-CD1 4.02Å; A184-L244 HydrophobicContact CB-CG 4.34Å; A184-Y248 HydrophobicContact CB-CD2 3.92Å; A184-Y248 HydrophobicContact CB-CG 4.45Å
185A86.3Confident88Confident44 Ų4444.1 Ų44.136%0.36426%0.264SS..Hα-helixtrans-76.8-22.3-177.100000113.7T181 H188T181-A185 WeakPolarHBondContact O-CB 3.42Å; T181-A185 PolarHBondContact O-N 3.04Å; A185-H188 PolarHBondContact O-CE1 3.18Å; A185-H188 PolarHBondContact O-NE2 3.15Å
186N82.9Confident88Confident104 Ų10442.7 Ų42.756%0.55626%0.257SS*.THydrogen-bonded Turntrans-91.14.6178.6-71.9-4.8000113.8L182L182-N186 WeakPolarHBondContact CD1-ND2 3.13Å; L182-N186 VanDerWaalsContact O-CB 3.23Å; L182-N186 WeakPolarHBondContact O-CB 3.4Å; L182-N186 VanDerWaalsContact O-CG 3.27Å; L182-N186 PolarHBondContact O-N 3.25Å
187D85.6Confident88Confident8 Ų842.7 Ų42.74%0.04326%0.257CS..  trans-123.564.5-167.4-166.534.8000111.5L183 F191 S192 N193 Y248L183-D187 WeakPolarHBondContact O-CB 3.43Å; D187-F191 VanDerWaalsContact CG-CA 3.42Å; D187-F191 VanDerWaalsContact OD1-CA 3.27Å; D187-F191 WeakPolarHBondContact OD1-CA 3.5Å; D187-F191 PolarHBondContact OD1-N 3.12Å; D187-F191 WeakPolarHBondContact OD2-CA 3.38Å; D187-S192 VanDerWaalsContact CG-N 3.32Å; D187-S192 PolarHBondContact OD1-N 2.75Å; D187-S192 PolarHBondContact OD1-OG 3.27Å; D187-S192 PolarHBondContact OD2-N 3.08Å; D187-S192 VanDerWaalsContact OD2-N 3.07Å; D187-N193 HydrophobicContact CB-CB 4.36Å; D187-N193 WeakPolarHBondContact OD2-CA 3.18Å; D187-N193 VanDerWaalsContact OD2-CB 3.3Å; D187-N193 WeakPolarHBondContact OD2-CB 3.44Å; D187-N193 PolarHBondContact OD2-N 3.46Å; D187-Y248 HydrophobicContact CB-CE2 4.13Å; D187-Y248 PolarHBondContact OD2-OH 3.48Å
188H78.2Confident88.2Confident136 Ų13641 Ų4163%0.6324%0.243SC*.SBendtrans-85.1-35.2-173.3-59.1-43.5000114.6A185 F191A185-H188 PolarHBondContact O-CE1 3.18Å; A185-H188 PolarHBondContact O-NE2 3.15Å; H188-F191 WeakPolarHBondContact O-CE2 3.48Å
189D77.6Confident88.3Confident113 Ų11340.1 Ų40.160%0.60423%0.231SC*.SBendtrans-104.2-51.7-167.6-63.4-43.3000113R255D189-R255 VanDerWaalsContact O-CZ 3.27Å; D189-R255 PolarHBondContact O-NE 3.21Å; D189-R255 PolarHBondContact O-NH1 3.32Å
190N80.6Confident88.4Confident126 Ų12639 Ų3967%0.67423%0.225SC*.SBendtrans-97-11.6-170.5-68.4-20.3000113.6S192N190-S192 PolarHBondContact O-N 3.18Å; N190-S192 VanDerWaalsContact O-N 3.1Å
191F90.7Very high88.5Confident7 Ų739 Ų393%0.03123%0.225CC..  trans49.137.8-177.1-70.1-92.2000112.9D187 H188 N193 I194 Y248 A251 A252 R255 F298D187-F191 VanDerWaalsContact CG-CA 3.42Å; D187-F191 VanDerWaalsContact OD1-CA 3.27Å; D187-F191 WeakPolarHBondContact OD1-CA 3.5Å; D187-F191 PolarHBondContact OD1-N 3.12Å; D187-F191 WeakPolarHBondContact OD2-CA 3.38Å; H188-F191 WeakPolarHBondContact O-CE2 3.48Å; F191-N193 PolarHBondContact O-N 2.91Å; F191-I194 VanDerWaalsContact O-CB 3.31Å; F191-I194 WeakPolarHBondContact O-CB 3.36Å; F191-I194 WeakPolarHBondContact O-CG2 3.39Å; F191-I194 PolarHBondContact O-N 2.87Å; F191-Y248 HydrophobicContact CD1-CE1 4.03Å; F191-Y248 AromaticContact CD1-CE2 3.81Å; F191-Y248 HydrophobicContact CD1-CE2 3.81Å; F191-Y248 AromaticContact CD1-CZ 3.54Å; F191-Y248 HydrophobicContact CE1-CD2 4.35Å; F191-Y248 HydrophobicContact CE1-CE2 4.03Å; F191-A251 HydrophobicContact CE1-CB 4.02Å; F191-A251 HydrophobicContact CZ-CB 3.75Å; F191-A251 WeakPolarHBondContact CZ-O 3.11Å; F191-A252 HydrophobicContact CD1-CB 3.59Å; F191-A252 VanDerWaalsContact CE1-CA 3.46Å; F191-A252 HydrophobicContact CE1-CB 3.57Å; F191-A252 VanDerWaalsContact CE1-N 3.33Å; F191-A252 HydrophobicContact CG-CB 4.27Å; F191-A252 HydrophobicContact CZ-CB 4.22Å; F191-R255 HydrophobicContact CD2-CB 3.9Å; F191-R255 HydrophobicContact CD2-CG 3.84Å; F191-R255 HydrophobicContact CE2-CB 3.56Å; F191-R255 HydrophobicContact CE2-CG 3.95Å; F191-R255 HydrophobicContact CZ-CB 4.39Å; F191-F298 HydrophobicContact CB-CE2 3.55Å; F191-F298 HydrophobicContact CB-CZ 3.87Å; F191-F298 HydrophobicContact CD2-CZ 4.16Å; F191-F298 HydrophobicContact CG-CE2 4.19Å; F191-F298 AromaticContact CG-CZ 3.97Å; F191-F298 HydrophobicContact CG-CZ 3.97Å
192S86.6Confident88.5Confident71 Ų7142.1 Ų42.150%0.49723%0.23SC..THydrogen-bonded Turntrans-64.8-25.2-17559.70000113.3D187 N190D187-S192 VanDerWaalsContact CG-N 3.32Å; D187-S192 PolarHBondContact OD1-N 2.75Å; D187-S192 PolarHBondContact OD1-OG 3.27Å; D187-S192 PolarHBondContact OD2-N 3.08Å; D187-S192 VanDerWaalsContact OD2-N 3.07Å; N190-S192 PolarHBondContact O-N 3.18Å; N190-S192 VanDerWaalsContact O-N 3.1Å
193N89.6Confident88.6Confident2 Ų240.3 Ų40.31%0.01122%0.22CC..THydrogen-bonded Turntrans-87.7-4180-62.4-34000112.8L183 D187 F191 G195 I196 L197L183-N193 PolarHBondContact O-ND2 3.44Å; D187-N193 HydrophobicContact CB-CB 4.36Å; D187-N193 WeakPolarHBondContact OD2-CA 3.18Å; D187-N193 VanDerWaalsContact OD2-CB 3.3Å; D187-N193 WeakPolarHBondContact OD2-CB 3.44Å; D187-N193 PolarHBondContact OD2-N 3.46Å; F191-N193 PolarHBondContact O-N 2.91Å; N193-G195 PolarHBondContact O-N 3.28Å; N193-G195 VanDerWaalsContact O-N 3.13Å; N193-I196 WeakPolarHBondContact O-CA 3.33Å; N193-I196 WeakPolarHBondContact O-CB 3.45Å; N193-I196 PolarHBondContact O-N 3.4Å; N193-L197 PolarHBondContact O-N 2.92Å
194I92.5Very high88.4Confident13 Ų1339.9 Ų39.97%0.06722%0.217CC..Hα-helixtrans-53.3-40.7-176.4-167.6168.7000112.4F191 I196 L197 S198 Y248 F298 L302 L305F191-I194 VanDerWaalsContact O-CB 3.31Å; F191-I194 WeakPolarHBondContact O-CB 3.36Å; F191-I194 WeakPolarHBondContact O-CG2 3.39Å; F191-I194 PolarHBondContact O-N 2.87Å; I194-I196 VanDerWaalsContact C-N 3.33Å; I194-I196 PolarHBondContact O-N 2.8Å; I194-L197 PolarHBondContact O-N 3.36Å; I194-S198 VanDerWaalsContact O-CB 3.25Å; I194-S198 WeakPolarHBondContact O-CB 3.2Å; I194-S198 PolarHBondContact O-N 3.49Å; I194-S198 PolarHBondContact O-OG 3.25Å; I194-Y248 WeakPolarHBondContact CA-OH 3.42Å; I194-Y248 HydrophobicContact CB-CE1 4.27Å; I194-Y248 HydrophobicContact CG1-CE1 4.21Å; I194-Y248 PolarHBondContact N-OH 2.96Å; I194-Y248 VanDerWaalsContact N-OH 3.11Å; I194-F298 HydrophobicContact CD1-CE2 4.19Å; I194-L302 HydrophobicContact CD1-CB 4.47Å; I194-L302 HydrophobicContact CD1-CD1 4.39Å; I194-L305 HydrophobicContact CD1-CD2 4.34Å; I194-L305 HydrophobicContact CG1-CD2 4.04Å
195G91.1Very high88.2Confident20 Ų2039.6 Ų39.621%0.20622%0.215CC..Hα-helixtrans-69.6-29.6178.700000113.4R152 N193 S199R152-G195 PolarHBondContact NH1-O 3.46Å; N193-G195 PolarHBondContact O-N 3.28Å; N193-G195 VanDerWaalsContact O-N 3.13Å; G195-S199 WeakPolarHBondContact O-CB 3.41Å; G195-S199 PolarHBondContact O-N 2.93Å; G195-S199 VanDerWaalsContact O-N 3.09Å
196I91.2Very high88.4Confident1 Ų138.1 Ų38.11%0.00520%0.2CC..Hα-helixtrans-72.5-48.4176.1-56174.2000109.4L148 R152 L155 L183 N193 I194 S198 S199 F200L148-I196 HydrophobicContact CB-CD1 4.06Å; L148-I196 HydrophobicContact CD2-CD1 3.83Å; L148-I196 HydrophobicContact CG-CD1 4.36Å; R152-I196 HydrophobicContact CG-CB 4.03Å; R152-I196 HydrophobicContact CG-CG1 3.81Å; R152-I196 HydrophobicContact CG-CG2 3.85Å; L155-I196 HydrophobicContact CD1-CG2 3.82Å; L183-I196 HydrophobicContact CD1-CG2 4.29Å; N193-I196 WeakPolarHBondContact O-CA 3.33Å; N193-I196 WeakPolarHBondContact O-CB 3.45Å; N193-I196 PolarHBondContact O-N 3.4Å; I194-I196 VanDerWaalsContact C-N 3.33Å; I194-I196 PolarHBondContact O-N 2.8Å; I196-S198 VanDerWaalsContact C-N 3.35Å; I196-S198 PolarHBondContact O-N 3.19Å; I196-S199 WeakPolarHBondContact O-CB 3.23Å; I196-S199 PolarHBondContact O-N 2.97Å; I196-F200 PolarHBondContact O-N 3.37Å
197L92.8Very high88.6Confident0 Ų033.2 Ų33.20%017%0.174CC..Hα-helixtrans-64.3-40179-62.3175.7000111.5L180 L183 A184 N193 I194 S199 F200 C201 F245 Y248L180-L197 HydrophobicContact CD2-CD2 4.37Å; L183-L197 HydrophobicContact CB-CD2 4.07Å; L183-L197 HydrophobicContact CD1-CD2 4.46Å; A184-L197 HydrophobicContact CB-CD1 4.44Å; N193-L197 PolarHBondContact O-N 2.92Å; I194-L197 PolarHBondContact O-N 3.36Å; L197-S199 VanDerWaalsContact C-N 3.35Å; L197-S199 PolarHBondContact O-N 3.45Å; L197-F200 WeakPolarHBondContact O-CB 3.49Å; L197-F200 PolarHBondContact O-N 3.38Å; L197-C201 PolarHBondContact O-N 2.9Å; L197-C201 PolarHBondContact O-SG 3.24Å; L197-F245 HydrophobicContact CB-CE1 4.08Å; L197-F245 HydrophobicContact CD2-CE1 3.91Å; L197-F245 HydrophobicContact CG-CE1 4.43Å; L197-Y248 HydrophobicContact CD1-CD1 3.86Å; L197-Y248 HydrophobicContact CD1-CD2 4.05Å; L197-Y248 HydrophobicContact CD1-CE1 3.61Å; L197-Y248 HydrophobicContact CD1-CE2 3.81Å; L197-Y248 HydrophobicContact CD1-CG 4.07Å
198S93.6Very high88.6Confident7 Ų733 Ų335%0.04917%0.173CC..Hα-helixtrans-63.2-40.3173.1-59.30000111.9I194 I196 F200 C201 R202 L308I194-S198 VanDerWaalsContact O-CB 3.25Å; I194-S198 WeakPolarHBondContact O-CB 3.2Å; I194-S198 PolarHBondContact O-N 3.49Å; I194-S198 PolarHBondContact O-OG 3.25Å; I196-S198 VanDerWaalsContact C-N 3.35Å; I196-S198 PolarHBondContact O-N 3.19Å; S198-F200 VanDerWaalsContact C-N 3.33Å; S198-C201 PolarHBondContact O-N 3.06Å; S198-R202 WeakPolarHBondContact O-CB 3.28Å; S198-R202 PolarHBondContact O-N 3.08Å; S198-L308 VanDerWaalsContact O-CD1 3.22Å; S198-L308 WeakPolarHBondContact O-CD1 3.33Å
199S92.4Very high89.1Confident18 Ų1826.5 Ų26.513%0.12614%0.143CC..Hα-helixtrans-63.1-40.9174.9-170.60000111.8G195 I196 L197 H203G195-S199 WeakPolarHBondContact O-CB 3.41Å; G195-S199 PolarHBondContact O-N 2.93Å; G195-S199 VanDerWaalsContact O-N 3.09Å; I196-S199 WeakPolarHBondContact O-CB 3.23Å; I196-S199 PolarHBondContact O-N 2.97Å; L197-S199 VanDerWaalsContact C-N 3.35Å; L197-S199 PolarHBondContact O-N 3.45Å; S199-H203 PolarHBondContact O-N 3.17Å
200F94.1Very high89.6Confident1 Ų121.8 Ų21.80%0.00412%0.121CC..Hα-helixtrans-64.4-47.8175.9-179.6-94.9000111.6L155 A159 L176 L180 I196 L197 S198 R202 H203 C204 W208 F245L155-F200 HydrophobicContact CB-CD2 3.9Å; L155-F200 HydrophobicContact CB-CE2 4.42Å; A159-F200 HydrophobicContact CB-CE2 3.91Å; A159-F200 HydrophobicContact CB-CZ 4.34Å; L176-F200 HydrophobicContact CD1-CE2 4.41Å; L176-F200 HydrophobicContact CD2-CE2 3.99Å; L176-F200 HydrophobicContact CD2-CZ 3.99Å; L180-F200 HydrophobicContact CD1-CD1 4.24Å; L180-F200 HydrophobicContact CD1-CE1 3.58Å; L180-F200 HydrophobicContact CD1-CE2 4.39Å; L180-F200 HydrophobicContact CD1-CZ 3.67Å; L180-F200 HydrophobicContact CD2-CD1 3.98Å; L180-F200 HydrophobicContact CD2-CD2 4.24Å; L180-F200 HydrophobicContact CD2-CE1 4.12Å; L180-F200 HydrophobicContact CD2-CE2 4.35Å; L180-F200 HydrophobicContact CD2-CG 4.03Å; L180-F200 HydrophobicContact CD2-CZ 4.31Å; I196-F200 PolarHBondContact O-N 3.37Å; L197-F200 WeakPolarHBondContact O-CB 3.49Å; L197-F200 PolarHBondContact O-N 3.38Å; S198-F200 VanDerWaalsContact C-N 3.33Å; F200-R202 PolarHBondContact O-N 2.87Å; F200-H203 PolarHBondContact O-N 3.29Å; F200-C204 HydrophobicContact CD1-CB 4.44Å; F200-C204 HydrophobicContact CE1-CB 4.01Å; F200-C204 HydrophobicContact CE2-CB 4.22Å; F200-C204 HydrophobicContact CZ-CB 3.89Å; F200-C204 WeakPolarHBondContact O-CB 3.47Å; F200-C204 PolarHBondContact O-N 3.42Å; F200-W208 HydrophobicContact CE1-CB 4.38Å; F200-W208 HydrophobicContact CZ-CB 4.45Å; F200-W208 HydrophobicContact CZ-CD2 4.28Å; F200-W208 HydrophobicContact CZ-CG 4.14Å; F200-F245 HydrophobicContact CD1-CE2 4.33Å; F200-F245 AromaticContact CD1-CZ 3.73Å; F200-F245 HydrophobicContact CD1-CZ 3.73Å; F200-F245 HydrophobicContact CE1-CE2 4.31Å; F200-F245 HydrophobicContact CE1-CZ 4.07Å
201C92.8Very high90.1Very high0 Ų016.5 Ų16.50%09%0.093CC..Hα-helixtrans-58.8-48176.9-64.30000110.5L197 S198 H203 C204 S205 L308L197-C201 PolarHBondContact O-N 2.9Å; L197-C201 PolarHBondContact O-SG 3.24Å; S198-C201 PolarHBondContact O-N 3.06Å; C201-H203 PolarHBondContact O-N 3.16Å; C201-H203 VanDerWaalsContact O-N 3.08Å; C201-C204 PolarHBondContact O-N 3Å; C201-C204 VanDerWaalsContact O-N 3.11Å; C201-S205 VanDerWaalsContact C-OG 3.25Å; C201-S205 WeakPolarHBondContact O-CA 3.07Å; C201-S205 WeakPolarHBondContact O-CB 3.39Å; C201-S205 PolarHBondContact O-N 2.82Å; C201-S205 PolarHBondContact O-OG 3.44Å; C201-L308 HydrophobicContact CB-CB 4.09Å; C201-L308 HydrophobicContact CB-CD1 4.17Å
202R91.7Very high90.1Very high135 Ų13517 Ų1751%0.50910%0.096SC..Hα-helixtrans-53.5-37.6177.5-168.7178.7-61.7107.71.2113.5S198 F200 L308S198-R202 WeakPolarHBondContact O-CB 3.28Å; S198-R202 PolarHBondContact O-N 3.08Å; F200-R202 PolarHBondContact O-N 2.87Å; R202-L308 HydrophobicContact CB-CD1 4.11Å; R202-L308 HydrophobicContact CB-CD2 4Å; R202-L308 HydrophobicContact CG-CD2 4.24Å
203H90.5Very high90.4Very high20 Ų2014.2 Ų14.29%0.0938%0.076CC..Hα-helixtrans-81.1-39.4178-163.482.5000113.1R26 A156 D160 S199 F200 C201R26-H203 PolarHBondContact NH1-O 2.95Å; A156-H203 HydrophobicContact CB-CB 4.21Å; D160-H203 IonicContact OD1-CD2 3.22Å; D160-H203 IonicContact OD1-NE2 2.71Å; D160-H203 IonicContact OD2-CD2 3.17Å; D160-H203 IonicContact OD2-CE1 2.73Å; D160-H203 IonicContact OD2-NE2 3.71Å; D160-H203 PolarHBondContact OD2-NE2 2.72Å; S199-H203 PolarHBondContact O-N 3.17Å; F200-H203 PolarHBondContact O-N 3.29Å; C201-H203 PolarHBondContact O-N 3.16Å; C201-H203 VanDerWaalsContact O-N 3.08Å
204C86.4Confident90.6Very high0 Ų017.2 Ų17.20%09%0.087CC..Hα-helixtrans-120.410.1-164.9-63.60000115.2A159 F200 C201 D206 D207 W208A159-C204 WeakPolarHBondContact CB-SG 3.46Å; F200-C204 HydrophobicContact CD1-CB 4.44Å; F200-C204 HydrophobicContact CE1-CB 4.01Å; F200-C204 HydrophobicContact CE2-CB 4.22Å; F200-C204 HydrophobicContact CZ-CB 3.89Å; F200-C204 WeakPolarHBondContact O-CB 3.47Å; F200-C204 PolarHBondContact O-N 3.42Å; C201-C204 PolarHBondContact O-N 3Å; C201-C204 VanDerWaalsContact O-N 3.11Å; C204-D206 VanDerWaalsContact C-N 3.3Å; C204-D206 PolarHBondContact O-N 3.48Å; C204-D207 PolarHBondContact O-N 3.01Å; C204-W208 HydrophobicContact CB-CB 4.3Å; C204-W208 HydrophobicContact CB-CG 4.26Å; C204-W208 WeakPolarHBondContact O-CB 3.49Å; C204-W208 PolarHBondContact O-N 3.3Å
205S86Confident90.6Very high6 Ų622.1 Ų22.14%0.04211%0.105CC..Iπ-helixtrans-54.2-43.6-172.8-84.50000112.4C201 V209 G210 V211 L308C201-S205 VanDerWaalsContact C-OG 3.25Å; C201-S205 WeakPolarHBondContact O-CA 3.07Å; C201-S205 WeakPolarHBondContact O-CB 3.39Å; C201-S205 PolarHBondContact O-N 2.82Å; C201-S205 PolarHBondContact O-OG 3.44Å; S205-V209 CarbonylContact O-C 3.59Å; S205-V209 VanDerWaalsContact O-CA 3.3Å; S205-V209 WeakPolarHBondContact O-CA 3.03Å; S205-V209 WeakPolarHBondContact O-CB 3.49Å; S205-V209 PolarHBondContact O-N 3.01Å; S205-G210 PolarHBondContact O-N 2.96Å; S205-V211 CarbonylContact C-O 3.3Å; S205-V211 VanDerWaalsContact C-O 3.3Å; S205-V211 VanDerWaalsContact CB-O 3.32Å; S205-V211 WeakPolarHBondContact CB-O 3.18Å; S205-V211 PolarHBondContact O-N 3.22Å; S205-V211 VanDerWaalsContact O-N 3.13Å; S205-L308 PolarHBondContact OG-O 3.45Å; S205-L308 VanDerWaalsContact OG-O 3.12Å
206D88.9Confident90.7Very high12 Ų1221.7 Ų21.76%0.06410%0.098CC..Iπ-helixtrans-77.5-44.3-177.2-172.742.1000112.8C204 G210 V211 R229 S230 Q238C204-D206 VanDerWaalsContact C-N 3.3Å; C204-D206 PolarHBondContact O-N 3.48Å; D206-G210 VanDerWaalsContact O-CA 3.3Å; D206-G210 WeakPolarHBondContact O-CA 3.23Å; D206-G210 PolarHBondContact O-N 3.33Å; D206-V211 PolarHBondContact N-O 3.39Å; D206-R229 IonicContact OD1-CZ 2.8Å; D206-R229 IonicContact OD1-NE 2.61Å; D206-R229 PolarHBondContact OD1-NE 3.47Å; D206-R229 IonicContact OD1-NH2 3.24Å; D206-R229 PolarHBondContact OD1-NH2 2.97Å; D206-R229 WeakPolarHBondContact OD2-CA 3.37Å; D206-R229 IonicContact OD2-NE 3.11Å; D206-S230 WeakPolarHBondContact OD2-CB 3.37Å; D206-S230 PolarHBondContact OD2-N 3.17Å; D206-Q238 PolarHBondContact O-NE2 3.2Å
207D86.8Confident90.8Very high1 Ų124.3 Ų24.31%0.00511%0.108CC..Iπ-helixtrans-66.7-45.3-178.1-57.2-69.3000112.2R30 C204 S230 M233 Q238R30-D207 IonicContact CZ-OD2 2.77Å; R30-D207 IonicContact NH1-OD1 2.8Å; R30-D207 IonicContact NH1-OD2 2.84Å; R30-D207 PolarHBondContact NH1-OD2 3.01Å; R30-D207 IonicContact NH2-OD2 3.53Å; C204-D207 PolarHBondContact O-N 3.01Å; D207-S230 WeakPolarHBondContact OD1-CB 3.37Å; D207-S230 PolarHBondContact OD1-OG 3.02Å; D207-M233 WeakPolarHBondContact O-CB 3.49Å; D207-Q238 PolarHBondContact O-NE2 2.84Å
208W86.6Confident90.8Very high4 Ų428 Ų282%0.01513%0.127CC..Iπ-helixtrans-100.3-41.1-170.7-76.576.8000113.9A159 N162 I173 L176 F200 C204 F232 M233 Q238 C241A159-W208 HydrophobicContact CB-CZ2 4.39Å; N162-W208 HydrophobicContact CB-CZ2 4.26Å; I173-W208 HydrophobicContact CB-CH2 4.36Å; I173-W208 HydrophobicContact CG1-CH2 4.4Å; I173-W208 HydrophobicContact CG2-CH2 3.96Å; I173-W208 HydrophobicContact CG2-CZ3 4.07Å; L176-W208 HydrophobicContact CB-CH2 3.95Å; L176-W208 HydrophobicContact CB-CZ3 4.32Å; L176-W208 HydrophobicContact CD2-CD2 4.21Å; L176-W208 HydrophobicContact CD2-CE3 4.2Å; L176-W208 HydrophobicContact CD2-CH2 3.4Å; L176-W208 HydrophobicContact CD2-CZ2 3.38Å; L176-W208 HydrophobicContact CD2-CZ3 3.81Å; L176-W208 HydrophobicContact CG-CH2 4.11Å; L176-W208 HydrophobicContact CG-CZ3 4.29Å; F200-W208 HydrophobicContact CE1-CB 4.38Å; F200-W208 HydrophobicContact CZ-CB 4.45Å; F200-W208 HydrophobicContact CZ-CD2 4.28Å; F200-W208 HydrophobicContact CZ-CG 4.14Å; C204-W208 HydrophobicContact CB-CB 4.3Å; C204-W208 HydrophobicContact CB-CG 4.26Å; C204-W208 WeakPolarHBondContact O-CB 3.49Å; C204-W208 PolarHBondContact O-N 3.3Å; W208-F232 HydrophobicContact CZ2-CE1 4.3Å; W208-M233 HydrophobicContact CB-SD 4.34Å; W208-M233 HydrophobicContact CD2-SD 3.73Å; W208-M233 HydrophobicContact CE3-CE 4.32Å; W208-M233 HydrophobicContact CE3-SD 3.72Å; W208-M233 HydrophobicContact CG-SD 4.05Å; W208-M233 HydrophobicContact CZ3-SD 4.23Å; W208-Q238 WeakPolarHBondContact O-CA 3.42Å; W208-C241 WeakPolarHBondContact O-CB 3.39Å
209V88.3Confident90.7Very high0 Ų028.4 Ų28.40%013%0.128CC..Iπ-helixtrans-93.7-24-177.5-168.70000111.4S205 V211 R242 F245 L309S205-V209 CarbonylContact O-C 3.59Å; S205-V209 VanDerWaalsContact O-CA 3.3Å; S205-V209 WeakPolarHBondContact O-CA 3.03Å; S205-V209 WeakPolarHBondContact O-CB 3.49Å; S205-V209 PolarHBondContact O-N 3.01Å; V209-V211 HydrophobicContact CG1-CB 4.39Å; V209-V211 HydrophobicContact CG1-CG2 4.01Å; V209-R242 HydrophobicContact CG1-CB 3.79Å; V209-R242 HydrophobicContact CG1-CG 3.99Å; V209-R242 PolarHBondContact O-NH1 3.21Å; V209-F245 HydrophobicContact CG2-CD2 3.84Å; V209-F245 HydrophobicContact CG2-CE2 3.88Å; V209-L309 HydrophobicContact CG1-CD2 4.06Å
210G88.1Confident90.7Very high14 Ų1428.4 Ų28.414%0.14413%0.128CC..  trans76.924.9-177.700000113.7S205 D206 R229S205-G210 PolarHBondContact O-N 2.96Å; D206-G210 VanDerWaalsContact O-CA 3.3Å; D206-G210 WeakPolarHBondContact O-CA 3.23Å; D206-G210 PolarHBondContact O-N 3.33Å; G210-R229 VanDerWaalsContact C-NH2 3.28Å; G210-R229 PolarHBondContact O-NH2 3.27Å
211V90.5Very high90.5Very high15 Ų1533.7 Ų33.79%0.09115%0.153CC..  trans-128.8144.7-171-179.90000111.2S205 D206 V209 D310S205-V211 CarbonylContact C-O 3.3Å; S205-V211 VanDerWaalsContact C-O 3.3Å; S205-V211 VanDerWaalsContact CB-O 3.32Å; S205-V211 WeakPolarHBondContact CB-O 3.18Å; S205-V211 PolarHBondContact O-N 3.22Å; S205-V211 VanDerWaalsContact O-N 3.13Å; D206-V211 PolarHBondContact N-O 3.39Å; V209-V211 HydrophobicContact CG1-CB 4.39Å; V209-V211 HydrophobicContact CG1-CG2 4.01Å; V211-D310 HydrophobicContact CG1-CB 3.32Å
212I92Very high90.4Very high18 Ų1840 Ų409%0.09218%0.18CC..  trans-99137.3169.1-65166.9000107.3R214 I216 R217 V227I212-R214 PolarHBondContact O-N 2.98Å; I212-I216 HydrophobicContact CG2-CB 3.97Å; I212-I216 HydrophobicContact CG2-CG2 3.81Å; I212-R217 HydrophobicContact CB-CB 4.47Å; I212-R217 HydrophobicContact CG2-CB 4.24Å; I212-V227 HydrophobicContact CD1-CB 3.8Å; I212-V227 HydrophobicContact CD1-CG1 3.9Å; I212-V227 HydrophobicContact CD1-CG2 4.44Å; I212-V227 HydrophobicContact CG1-CG1 4.43Å
213P93.4Very high90.4Very high12 Ų1235.6 Ų35.68%0.07816%0.164CC..  trans-50.7136175.7-27.635.1000112.4R215 I216 R217 D307 L308P213-R215 VanDerWaalsContact C-N 3.34Å; P213-R215 PolarHBondContact O-N 2.97Å; P213-I216 HydrophobicContact CB-CG1 4.45Å; P213-I216 PolarHBondContact O-N 2.97Å; P213-R217 PolarHBondContact O-N 2.98Å; P213-D307 CarbonylContact C-O 3.58Å; P213-D307 WeakPolarHBondContact CA-O 3.2Å; P213-L308 HydrophobicContact CB-CD2 4.37Å; P213-L308 HydrophobicContact CG-CD2 3.94Å
214R93.2Very high90.3Very high64 Ų6443.1 Ų43.124%0.24220%0.199CC..Hα-helixtrans-51.3-50.1-169.8-173.6173.8178.3110.8-14.6112.5I212 I216 R217 L218 D307 D310 A311 D312I212-R214 PolarHBondContact O-N 2.98Å; R214-I216 VanDerWaalsContact C-N 3.3Å; R214-I216 PolarHBondContact O-N 3.27Å; R214-R217 PolarHBondContact O-N 3.45Å; R214-R217 VanDerWaalsContact O-N 3.17Å; R214-L218 HydrophobicContact CG-CD1 3.9Å; R214-L218 HydrophobicContact CG-CG 4.28Å; R214-L218 WeakPolarHBondContact O-CG 3.33Å; R214-L218 PolarHBondContact O-N 3.46Å; R214-D307 WeakPolarHBondContact CB-OD1 3.22Å; R214-D307 PolarHBondContact N-O 2.95Å; R214-D307 PolarHBondContact N-OD1 3.07Å; R214-D310 WeakPolarHBondContact CB-OD1 3.45Å; R214-D310 WeakPolarHBondContact CG-OD1 3.48Å; R214-A311 WeakPolarHBondContact CD-O 3.38Å; R214-D312 IonicContact CZ-OD1 3.6Å; R214-D312 IonicContact NH1-OD1 3.43Å; R214-D312 PolarHBondContact NH1-OD1 3.35Å; R214-D312 IonicContact NH2-OD1 3.67Å; R214-D312 PolarHBondContact NH2-OD1 3.46Å
215R91.5Very high90.4Very high117 Ų11745.1 Ų45.144%0.44221%0.21SC..Hα-helixtrans-58.2-43.8-179.7-176.1170.5-177-159.3-4.6111.6D12 Q15 P213 L219 D307D12-R215 IonicContact OD1-NH2 2.65Å; Q15-R215 VanDerWaalsContact OE1-NH2 3.16Å; P213-R215 VanDerWaalsContact C-N 3.34Å; P213-R215 PolarHBondContact O-N 2.97Å; R215-L219 HydrophobicContact CG-CD1 4.18Å; R215-L219 WeakPolarHBondContact O-CB 3.49Å; R215-L219 VanDerWaalsContact O-CG 3.24Å; R215-L219 WeakPolarHBondContact O-CG 3.33Å; R215-L219 PolarHBondContact O-N 3.15Å; R215-D307 WeakPolarHBondContact CB-OD1 3.17Å; R215-D307 PolarHBondContact N-OD1 3.36Å
216I93.1Very high90.6Very high11 Ų1150 Ų506%0.05624%0.241CC..Hα-helixtrans-67.4-41177.9-60.6-59.9000110.9Q15 F19 I212 P213 R214 L219 S220 V227Q15-I216 HydrophobicContact CG-CD1 4.22Å; F19-I216 HydrophobicContact CB-CD1 4.19Å; F19-I216 HydrophobicContact CB-CG2 4.47Å; F19-I216 HydrophobicContact CD1-CG2 3.6Å; F19-I216 HydrophobicContact CD2-CD1 4.34Å; F19-I216 HydrophobicContact CD2-CG1 4.1Å; F19-I216 HydrophobicContact CE1-CG2 3.92Å; F19-I216 HydrophobicContact CE2-CG1 4.39Å; F19-I216 HydrophobicContact CG-CD1 4.24Å; F19-I216 HydrophobicContact CG-CG1 4.19Å; F19-I216 HydrophobicContact CG-CG2 3.96Å; I212-I216 HydrophobicContact CG2-CB 3.97Å; I212-I216 HydrophobicContact CG2-CG2 3.81Å; P213-I216 HydrophobicContact CB-CG1 4.45Å; P213-I216 PolarHBondContact O-N 2.97Å; R214-I216 VanDerWaalsContact C-N 3.3Å; R214-I216 PolarHBondContact O-N 3.27Å; I216-L219 PolarHBondContact O-N 2.93Å; I216-S220 WeakPolarHBondContact O-CB 3.47Å; I216-S220 PolarHBondContact O-N 3.01Å; I216-V227 HydrophobicContact CG2-CG2 4.19Å
217R93.2Very high90.6Very high56 Ų5650.2 Ų50.221%0.21124%0.242CC..Hα-helixtrans-60.1-49.3176-176-17657.667.51.6111.5I212 P213 R214 L219 S220 E221 D310I212-R217 HydrophobicContact CB-CB 4.47Å; I212-R217 HydrophobicContact CG2-CB 4.24Å; P213-R217 PolarHBondContact O-N 2.98Å; R214-R217 PolarHBondContact O-N 3.45Å; R214-R217 VanDerWaalsContact O-N 3.17Å; R217-L219 PolarHBondContact O-N 3.46Å; R217-S220 WeakPolarHBondContact O-CB 3.47Å; R217-S220 PolarHBondContact O-N 3.43Å; R217-E221 WeakPolarHBondContact CG-OE1 3.24Å; R217-E221 IonicContact CZ-OE1 3.52Å; R217-E221 IonicContact NH1-OE1 3.08Å; R217-E221 PolarHBondContact NH1-OE1 3.36Å; R217-E221 IonicContact NH1-OE2 3.15Å; R217-E221 PolarHBondContact NH1-OE2 3Å; R217-E221 WeakPolarHBondContact O-CG 3.27Å; R217-E221 PolarHBondContact O-N 3.46Å; R217-D310 WeakPolarHBondContact CD-OD2 3.38Å; R217-D310 IonicContact CZ-OD1 3.45Å; R217-D310 IonicContact CZ-OD2 3.96Å; R217-D310 VanDerWaalsContact NE-CG 3.26Å; R217-D310 IonicContact NE-OD1 3.18Å; R217-D310 PolarHBondContact NE-OD1 2.85Å; R217-D310 IonicContact NE-OD2 3.86Å; R217-D310 PolarHBondContact NE-OD2 3.26Å; R217-D310 IonicContact NH2-OD1 3.08Å; R217-D310 PolarHBondContact NH2-OD1 3.32Å; R217-D310 IonicContact NH2-OD2 3.85Å
218L92.7Very high90.7Very high77 Ų7752 Ų5240%0.40326%0.255SS..Hα-helixtrans-63-40.7179.2-68.8174.3000112.3R214 K222R214-L218 HydrophobicContact CG-CD1 3.9Å; R214-L218 HydrophobicContact CG-CG 4.28Å; R214-L218 WeakPolarHBondContact O-CG 3.33Å; R214-L218 PolarHBondContact O-N 3.46Å; L218-K222 VanDerWaalsContact O-CB 3.27Å; L218-K222 WeakPolarHBondContact O-CB 3.44Å; L218-K222 PolarHBondContact O-N 2.83Å
219L92.7Very high90.8Very high15 Ų1557.9 Ų57.98%0.07928%0.277CS..Hα-helixtrans-71.4-35.7176.2-66179.5000112.2D12 V16 R215 I216 R217 K222 Y223D12-L219 HydrophobicContact CB-CD1 3.97Å; D12-L219 HydrophobicContact CB-CD2 3.8Å; D12-L219 HydrophobicContact CB-CG 4.49Å; V16-L219 HydrophobicContact CG2-CB 3.22Å; V16-L219 HydrophobicContact CG2-CD1 3.95Å; V16-L219 HydrophobicContact CG2-CG 4.24Å; R215-L219 HydrophobicContact CG-CD1 4.18Å; R215-L219 WeakPolarHBondContact O-CB 3.49Å; R215-L219 VanDerWaalsContact O-CG 3.24Å; R215-L219 WeakPolarHBondContact O-CG 3.33Å; R215-L219 PolarHBondContact O-N 3.15Å; I216-L219 PolarHBondContact O-N 2.93Å; R217-L219 PolarHBondContact O-N 3.46Å; L219-K222 HydrophobicContact CD2-CD 4.38Å; L219-K222 PolarHBondContact O-N 3.24Å; L219-Y223 HydrophobicContact CB-CD2 4.42Å; L219-Y223 HydrophobicContact CB-CE2 4.5Å; L219-Y223 HydrophobicContact CD2-CE2 4.09Å; L219-Y223 WeakPolarHBondContact O-CD2 3.34Å; L219-Y223 PolarHBondContact O-N 2.76Å
220S91.2Very high90.7Very high18 Ų1858.7 Ų58.713%0.12628%0.283CS..Hα-helixtrans-61.2-43.9173.3170.10000111.5I216 R217 E224 M225I216-S220 WeakPolarHBondContact O-CB 3.47Å; I216-S220 PolarHBondContact O-N 3.01Å; R217-S220 WeakPolarHBondContact O-CB 3.47Å; R217-S220 PolarHBondContact O-N 3.43Å; S220-E224 WeakPolarHBondContact O-CA 3.48Å; S220-E224 PolarHBondContact O-N 2.79Å; S220-M225 WeakPolarHBondContact CB-O 3.22Å; S220-M225 PolarHBondContact O-N 3.21Å; S220-M225 PolarHBondContact OG-O 3.27Å
221E90.6Very high90.4Very high112 Ų11266 Ų6652%0.52332%0.316SS..Hα-helixtrans-65-45.4173.4-72.5167.8-163.400111.4R217 Y223 E224R217-E221 WeakPolarHBondContact CG-OE1 3.24Å; R217-E221 IonicContact CZ-OE1 3.52Å; R217-E221 IonicContact NH1-OE1 3.08Å; R217-E221 PolarHBondContact NH1-OE1 3.36Å; R217-E221 IonicContact NH1-OE2 3.15Å; R217-E221 PolarHBondContact NH1-OE2 3Å; R217-E221 WeakPolarHBondContact O-CG 3.27Å; R217-E221 PolarHBondContact O-N 3.46Å; E221-Y223 VanDerWaalsContact C-N 3.33Å; E221-Y223 PolarHBondContact O-N 2.94Å; E221-E224 PolarHBondContact O-N 3.22Å
222K91.8Very high90.1Very high132 Ų13268.2 Ų68.257%0.57433%0.325SS*.Hα-helixtrans-61.5-36.5-179.6-178.5180176.1-175.30113.4L218 L219L218-K222 VanDerWaalsContact O-CB 3.27Å; L218-K222 WeakPolarHBondContact O-CB 3.44Å; L218-K222 PolarHBondContact O-N 2.83Å; L219-K222 HydrophobicContact CD2-CD 4.38Å; L219-K222 PolarHBondContact O-N 3.24Å
223Y90.5Very high89.6Confident43 Ų4368.2 Ų68.217%0.16933%0.325CS..THydrogen-bonded Turntrans-105.65.7-177.8-61.8-62.1000113.9S9 D12 R13 L219 E221 M225S9-Y223 WeakPolarHBondContact CA-OH 3.44Å; S9-Y223 PolarHBondContact O-OH 3.46Å; S9-Y223 PolarHBondContact OG-OH 3.33Å; D12-Y223 HydrophobicContact CB-CE2 3.77Å; R13-Y223 HydrophobicContact CG-CD1 3.63Å; R13-Y223 HydrophobicContact CG-CD2 3.81Å; R13-Y223 HydrophobicContact CG-CE1 3.52Å; R13-Y223 HydrophobicContact CG-CE2 3.69Å; R13-Y223 HydrophobicContact CG-CG 3.79Å; L219-Y223 HydrophobicContact CB-CD2 4.42Å; L219-Y223 HydrophobicContact CB-CE2 4.5Å; L219-Y223 HydrophobicContact CD2-CE2 4.09Å; L219-Y223 WeakPolarHBondContact O-CD2 3.34Å; L219-Y223 PolarHBondContact O-N 2.76Å; E221-Y223 VanDerWaalsContact C-N 3.33Å; E221-Y223 PolarHBondContact O-N 2.94Å; Y223-M225 WeakPolarHBondContact O-CG 3.36Å; Y223-M225 PolarHBondContact O-N 2.95Å
224E89.1Confident89.2Confident178 Ų17870.6 Ų70.683%0.83234%0.341SS*.THydrogen-bonded Turntrans53.137.2-178.2-57.3-179.6171.200113S220 E221 P226S220-E224 WeakPolarHBondContact O-CA 3.48Å; S220-E224 PolarHBondContact O-N 2.79Å; E221-E224 PolarHBondContact O-N 3.22Å; E224-P226 VanDerWaalsContact O-CD 3.28Å; E224-P226 WeakPolarHBondContact O-CD 3.39Å
225M89.2Confident88.8Confident43 Ų4371.7 Ų71.721%0.21236%0.359CS..  trans-103.297-178.4-66.7-177.163.800109.8V16 T17 I20 S220 Y223 V227V16-M225 HydrophobicContact CG1-CB 4.03Å; V16-M225 HydrophobicContact CG1-CE 4.28Å; V16-M225 HydrophobicContact CG1-SD 4.23Å; T17-M225 WeakPolarHBondContact OG1-CE 3.26Å; I20-M225 HydrophobicContact CD1-CB 3.93Å; I20-M225 HydrophobicContact CD1-CE 4.05Å; S220-M225 WeakPolarHBondContact CB-O 3.22Å; S220-M225 PolarHBondContact O-N 3.21Å; S220-M225 PolarHBondContact OG-O 3.27Å; Y223-M225 WeakPolarHBondContact O-CG 3.36Å; Y223-M225 PolarHBondContact O-N 2.95Å; M225-V227 PolarHBondContact O-N 3.09Å
226P88.8Confident88.6Confident108 Ų10872.2 Ų72.270%0.70137%0.366SS*.PPolyproline II helixtrans-67.8125.7-173.526.9-34.4000111.5E224E224-P226 VanDerWaalsContact O-CD 3.28Å; E224-P226 WeakPolarHBondContact O-CD 3.39Å
227V89.7Confident88.2Confident16 Ų1677.4 Ų77.410%0.09739%0.385CS..PPolyproline II helixtrans-82.7128.6176.9179.40000109.9F19 I20 I212 I216 M225F19-V227 HydrophobicContact CD1-CG1 4.14Å; F19-V227 HydrophobicContact CE1-CG1 3.85Å; I20-V227 HydrophobicContact CD1-CG2 4.34Å; I20-V227 HydrophobicContact CG1-CG2 4.02Å; I212-V227 HydrophobicContact CD1-CB 3.8Å; I212-V227 HydrophobicContact CD1-CG1 3.9Å; I212-V227 HydrophobicContact CD1-CG2 4.44Å; I212-V227 HydrophobicContact CG1-CG1 4.43Å; I216-V227 HydrophobicContact CG2-CG2 4.19Å; M225-V227 PolarHBondContact O-N 3.09Å
228P87.8Confident88.1Confident40 Ų4075.7 Ų75.726%0.2638%0.38SS..PPolyproline II helixtrans-57.6137174.9-23.132.2000112.1I20 T23 S24 L27I20-P228 HydrophobicContact CG2-CG 4.39Å; T23-P228 HydrophobicContact CG2-CB 4.4Å; S24-P228 WeakPolarHBondContact OG-CG 3.4Å; L27-P228 HydrophobicContact CD1-CB 3.82Å
229R89.3Confident87.9Confident126 Ų12673.5 Ų73.548%0.47537%0.373SS..  trans-112.3143.4-178.9-55.8-58.6-58.6-100.7-1.2111.5D206 G210D206-R229 IonicContact OD1-CZ 2.8Å; D206-R229 IonicContact OD1-NE 2.61Å; D206-R229 PolarHBondContact OD1-NE 3.47Å; D206-R229 IonicContact OD1-NH2 3.24Å; D206-R229 PolarHBondContact OD1-NH2 2.97Å; D206-R229 WeakPolarHBondContact OD2-CA 3.37Å; D206-R229 IonicContact OD2-NE 3.11Å; G210-R229 VanDerWaalsContact C-NH2 3.28Å; G210-R229 PolarHBondContact O-NH2 3.27Å
230S86.2Confident87.7Confident18 Ų1879 Ų7913%0.12640%0.396CS..  trans-77.1144.4172.1-174.20000111.9D206 D207 F232D206-S230 WeakPolarHBondContact OD2-CB 3.37Å; D206-S230 PolarHBondContact OD2-N 3.17Å; D207-S230 WeakPolarHBondContact OD1-CB 3.37Å; D207-S230 PolarHBondContact OD1-OG 3.02Å; S230-F232 PolarHBondContact OG-N 3.48Å
231I82.5Confident87.6Confident167 Ų16779 Ų7986%0.85640%0.395SS*.  trans-110.611.2175.359.1170.6000112.4
232F83.4Confident87.6Confident62 Ų6277.4 Ų77.427%0.27239%0.385SS..SBendtrans-63.7-50.2-171.3173.9-118.5000113.3N162 T163 W208 S230N162-F232 HydrophobicContact CB-CZ 4.15Å; N162-F232 WeakPolarHBondContact O-CE2 3.25Å; T163-F232 HydrophobicContact CG2-CB 4.24Å; T163-F232 HydrophobicContact CG2-CD1 4.39Å; T163-F232 HydrophobicContact CG2-CD2 4.05Å; T163-F232 HydrophobicContact CG2-CG 3.96Å; W208-F232 HydrophobicContact CZ2-CE1 4.3Å; S230-F232 PolarHBondContact OG-N 3.48Å
233M82Confident87.7Confident18 Ų1874.7 Ų74.79%0.08938%0.38CS..SBendtrans-103.5139.6179.5-69.7-176.160.800111.5D207 W208 R237 Q238D207-M233 WeakPolarHBondContact O-CB 3.49Å; W208-M233 HydrophobicContact CB-SD 4.34Å; W208-M233 HydrophobicContact CD2-SD 3.73Å; W208-M233 HydrophobicContact CE3-CE 4.32Å; W208-M233 HydrophobicContact CE3-SD 3.72Å; W208-M233 HydrophobicContact CG-SD 4.05Å; W208-M233 HydrophobicContact CZ3-SD 4.23Å; M233-R237 HydrophobicContact CE-CB 3.41Å; M233-R237 VanDerWaalsContact CE-CB 3.41Å; M233-R237 HydrophobicContact CE-CG 4.49Å; M233-Q238 HydrophobicContact CB-CG 3.7Å
234S84.9Confident87.8Confident61 Ų6174.6 Ų74.643%0.42738%0.381SS..  trans-58.8144.9167.860.40000110.7E236 R237 Q238S234-E236 PolarHBondContact O-N 3.49Å; S234-E236 VanDerWaalsContact O-N 3.1Å; S234-R237 PolarHBondContact O-N 3.48Å; S234-R237 WeakPolarHBondContact OG-CG 3.45Å; S234-Q238 PolarHBondContact O-N 3.17Å; S234-Q238 VanDerWaalsContact O-N 3.15Å
235S84.8Confident88Confident87 Ų8766.1 Ų66.161%0.60834%0.342SS*.Hα-helixtrans-51.8-36.8178.9-171.20000113.8R237 Q238 A239S235-R237 PolarHBondContact O-N 3Å; S235-Q238 PolarHBondContact O-N 3.09Å; S235-A239 WeakPolarHBondContact O-CB 3.41Å; S235-A239 PolarHBondContact O-N 2.73Å
236E86.9Confident88.1Confident128 Ų12866.7 Ų66.760%0.59835%0.346SS*.Hα-helixtrans-62.3-40177.3-165.1-154.7140.700112.9S234 A239 K240S234-E236 PolarHBondContact O-N 3.49Å; S234-E236 VanDerWaalsContact O-N 3.1Å; E236-A239 WeakPolarHBondContact O-CB 3.42Å; E236-A239 PolarHBondContact O-N 3.4Å; E236-K240 PolarHBondContact O-N 2.95Å; E236-K240 WeakPolarHBondContact OE1-CE 3.35Å; E236-K240 IonicContact OE1-NZ 3.26Å; E236-K240 PolarHBondContact OE1-NZ 2.85Å
237R85.5Confident88.3Confident121 Ų12166.5 Ų66.546%0.45734%0.339SS..Hα-helixtrans-74.7-38.3179-67.7-179.4-180-178.41.2111.7M233 S234 S235 A239 K240 C241M233-R237 HydrophobicContact CE-CB 3.41Å; M233-R237 VanDerWaalsContact CE-CB 3.41Å; M233-R237 HydrophobicContact CE-CG 4.49Å; S234-R237 PolarHBondContact O-N 3.48Å; S234-R237 WeakPolarHBondContact OG-CG 3.45Å; S235-R237 PolarHBondContact O-N 3Å; R237-A239 PolarHBondContact O-N 3.26Å; R237-K240 PolarHBondContact O-N 3.46Å; R237-C241 PolarHBondContact O-N 2.87Å; R237-C241 VanDerWaalsContact O-N 3.17Å
238Q90Very high88.5Confident20 Ų2066.1 Ų66.19%0.09334%0.336CS..Hα-helixtrans-59.8-39.9172.3-69.1178-26.600110.8D206 D207 W208 M233 S234 S235 K240 C241 R242D206-Q238 PolarHBondContact O-NE2 3.2Å; D207-Q238 PolarHBondContact O-NE2 2.84Å; W208-Q238 WeakPolarHBondContact O-CA 3.42Å; M233-Q238 HydrophobicContact CB-CG 3.7Å; S234-Q238 PolarHBondContact O-N 3.17Å; S234-Q238 VanDerWaalsContact O-N 3.15Å; S235-Q238 PolarHBondContact O-N 3.09Å; Q238-K240 PolarHBondContact O-N 3.34Å; Q238-C241 PolarHBondContact O-N 2.99Å; Q238-R242 VanDerWaalsContact O-CB 3.29Å; Q238-R242 WeakPolarHBondContact O-CB 3.46Å; Q238-R242 PolarHBondContact O-N 3.16Å
239A89.9Confident88.8Confident31 Ų3164.7 Ų64.726%0.25633%0.326SS..Hα-helixtrans-59.3-44.6175.400000112.5S235 E236 R237 C241 R242 T243S235-A239 WeakPolarHBondContact O-CB 3.41Å; S235-A239 PolarHBondContact O-N 2.73Å; E236-A239 WeakPolarHBondContact O-CB 3.42Å; E236-A239 PolarHBondContact O-N 3.4Å; R237-A239 PolarHBondContact O-N 3.26Å; A239-C241 PolarHBondContact O-N 3.49Å; A239-R242 PolarHBondContact O-N 3.26Å; A239-T243 PolarHBondContact O-N 2.9Å; A239-T243 PolarHBondContact O-OG1 2.93Å; A239-T243 VanDerWaalsContact O-OG1 3.06Å
240K88.4Confident88.9Confident131 Ų13161.3 Ų61.357%0.5733%0.325SS*.Hα-helixtrans-61.6-42.6176.8-69174.1-173.2164.70112.5E236 R237 Q238 T243 L244E236-K240 PolarHBondContact O-N 2.95Å; E236-K240 WeakPolarHBondContact OE1-CE 3.35Å; E236-K240 IonicContact OE1-NZ 3.26Å; E236-K240 PolarHBondContact OE1-NZ 2.85Å; R237-K240 PolarHBondContact O-N 3.46Å; Q238-K240 PolarHBondContact O-N 3.34Å; K240-T243 PolarHBondContact O-N 3.2Å; K240-L244 PolarHBondContact O-N 3.4Å
241C89.2Confident89.3Confident16 Ų1662.7 Ų62.711%0.10834%0.338CS..Hα-helixtrans-66.7-40.1176.9-167.70000111.4W208 R237 Q238 A239 L244 F245W208-C241 WeakPolarHBondContact O-CB 3.39Å; R237-C241 PolarHBondContact O-N 2.87Å; R237-C241 VanDerWaalsContact O-N 3.17Å; Q238-C241 PolarHBondContact O-N 2.99Å; A239-C241 PolarHBondContact O-N 3.49Å; C241-L244 WeakPolarHBondContact O-CB 3.3Å; C241-L244 PolarHBondContact O-N 3.47Å; C241-F245 VanDerWaalsContact O-CD2 3.23Å; C241-F245 WeakPolarHBondContact O-CD2 3.25Å; C241-F245 PolarHBondContact O-N 3.03Å; C241-F245 VanDerWaalsContact SG-CE2 3.52Å
242R90.6Very high89.8Confident79 Ų7954.8 Ų54.830%0.29830%0.297SS..Hα-helixtrans-62.7-41.1175-175.5168.660.5-107.92.6112.4V209 Q238 A239 L244 F245 N246V209-R242 HydrophobicContact CG1-CB 3.79Å; V209-R242 HydrophobicContact CG1-CG 3.99Å; V209-R242 PolarHBondContact O-NH1 3.21Å; Q238-R242 VanDerWaalsContact O-CB 3.29Å; Q238-R242 WeakPolarHBondContact O-CB 3.46Å; Q238-R242 PolarHBondContact O-N 3.16Å; A239-R242 PolarHBondContact O-N 3.26Å; R242-L244 PolarHBondContact O-N 2.91Å; R242-F245 PolarHBondContact O-N 3Å; R242-N246 WeakPolarHBondContact CG-ND2 3.37Å; R242-N246 WeakPolarHBondContact O-CB 3.24Å; R242-N246 PolarHBondContact O-N 3.3Å; R242-N246 PolarHBondContact O-ND2 3.2Å
243T92.6Very high90.2Very high76 Ų7655.1 Ų55.147%0.46630%0.3SS..Hα-helixtrans-57.7-48.6174.4-58.90000111.1A239 K240 F245 N246 D247A239-T243 PolarHBondContact O-N 2.9Å; A239-T243 PolarHBondContact O-OG1 2.93Å; A239-T243 VanDerWaalsContact O-OG1 3.06Å; K240-T243 PolarHBondContact O-N 3.2Å; T243-F245 VanDerWaalsContact C-N 3.34Å; T243-F245 PolarHBondContact O-N 3.23Å; T243-N246 PolarHBondContact O-N 3.13Å; T243-D247 WeakPolarHBondContact O-CB 3.49Å; T243-D247 PolarHBondContact O-N 3.44Å
244L92.7Very high90.7Very high40 Ų4059.5 Ų59.521%0.20932%0.32CS..Hα-helixtrans-54.1-46.9178178.468.9000112.9L180 T181 A184 K240 C241 R242 Y248L180-L244 HydrophobicContact CB-CD2 4.15Å; T181-L244 HydrophobicContact CG2-CD1 4.45Å; A184-L244 HydrophobicContact CB-CD1 4.02Å; A184-L244 HydrophobicContact CB-CG 4.34Å; K240-L244 PolarHBondContact O-N 3.4Å; C241-L244 WeakPolarHBondContact O-CB 3.3Å; C241-L244 PolarHBondContact O-N 3.47Å; R242-L244 PolarHBondContact O-N 2.91Å; L244-Y248 PolarHBondContact O-N 2.77Å; L244-Y248 VanDerWaalsContact O-N 3.16Å
245F93.1Very high91.1Very high1 Ų160.5 Ų60.50%0.00432%0.315CS..Hα-helixtrans-73.6-33.6-179.7-73.7-66.1000113.3L180 L197 F200 V209 C241 R242 T243 Y248 L249 L309L180-F245 HydrophobicContact CD1-CZ 4.28Å; L180-F245 HydrophobicContact CD2-CZ 4.31Å; L197-F245 HydrophobicContact CB-CE1 4.08Å; L197-F245 HydrophobicContact CD2-CE1 3.91Å; L197-F245 HydrophobicContact CG-CE1 4.43Å; F200-F245 HydrophobicContact CD1-CE2 4.33Å; F200-F245 AromaticContact CD1-CZ 3.73Å; F200-F245 HydrophobicContact CD1-CZ 3.73Å; F200-F245 HydrophobicContact CE1-CE2 4.31Å; F200-F245 HydrophobicContact CE1-CZ 4.07Å; V209-F245 HydrophobicContact CG2-CD2 3.84Å; V209-F245 HydrophobicContact CG2-CE2 3.88Å; C241-F245 VanDerWaalsContact O-CD2 3.23Å; C241-F245 WeakPolarHBondContact O-CD2 3.25Å; C241-F245 PolarHBondContact O-N 3.03Å; C241-F245 VanDerWaalsContact SG-CE2 3.52Å; R242-F245 PolarHBondContact O-N 3Å; T243-F245 VanDerWaalsContact C-N 3.34Å; T243-F245 PolarHBondContact O-N 3.23Å; F245-Y248 PolarHBondContact O-N 3Å; F245-L249 WeakPolarHBondContact O-CB 3.48Å; F245-L249 PolarHBondContact O-N 3.33Å; F245-L309 HydrophobicContact CB-CD1 3.79Å; F245-L309 HydrophobicContact CB-CD2 3.7Å; F245-L309 HydrophobicContact CB-CG 4.43Å; F245-L309 HydrophobicContact CG-CD2 4.2Å
246N92.2Very high91.5Very high55 Ų5556.5 Ų56.529%0.29429%0.286SS..Hα-helixtrans-69.2-38.7175.2-82.5-79.6000111.7R242 T243 Y248 L249 A250R242-N246 WeakPolarHBondContact CG-ND2 3.37Å; R242-N246 WeakPolarHBondContact O-CB 3.24Å; R242-N246 PolarHBondContact O-N 3.3Å; R242-N246 PolarHBondContact O-ND2 3.2Å; T243-N246 PolarHBondContact O-N 3.13Å; N246-Y248 VanDerWaalsContact C-N 3.33Å; N246-Y248 PolarHBondContact O-N 2.95Å; N246-L249 PolarHBondContact O-N 3.44Å; N246-A250 WeakPolarHBondContact O-CB 3.35Å; N246-A250 PolarHBondContact O-N 3.42Å
247D92.8Very high91.7Very high103 Ų10355 Ų5555%0.55128%0.279SS*.Hα-helixtrans-63.2-41.9174.7-65.1-18.1000110.7T243 A250 A251T243-D247 WeakPolarHBondContact O-CB 3.49Å; T243-D247 PolarHBondContact O-N 3.44Å; D247-A250 PolarHBondContact O-N 2.83Å; D247-A251 PolarHBondContact O-N 3.02Å
248Y94.3Very high92Very high9 Ų952.4 Ų52.44%0.03528%0.275CS..Hα-helixtrans-62.9-43.3173.8-175.9-93.6000112.2A184 D187 F191 I194 L197 L244 F245 N246 A251 A252 L305A184-Y248 HydrophobicContact CB-CD2 3.92Å; A184-Y248 HydrophobicContact CB-CG 4.45Å; D187-Y248 HydrophobicContact CB-CE2 4.13Å; D187-Y248 PolarHBondContact OD2-OH 3.48Å; F191-Y248 HydrophobicContact CD1-CE1 4.03Å; F191-Y248 AromaticContact CD1-CE2 3.81Å; F191-Y248 HydrophobicContact CD1-CE2 3.81Å; F191-Y248 AromaticContact CD1-CZ 3.54Å; F191-Y248 HydrophobicContact CE1-CD2 4.35Å; F191-Y248 HydrophobicContact CE1-CE2 4.03Å; I194-Y248 WeakPolarHBondContact CA-OH 3.42Å; I194-Y248 HydrophobicContact CB-CE1 4.27Å; I194-Y248 HydrophobicContact CG1-CE1 4.21Å; I194-Y248 PolarHBondContact N-OH 2.96Å; I194-Y248 VanDerWaalsContact N-OH 3.11Å; L197-Y248 HydrophobicContact CD1-CD1 3.86Å; L197-Y248 HydrophobicContact CD1-CD2 4.05Å; L197-Y248 HydrophobicContact CD1-CE1 3.61Å; L197-Y248 HydrophobicContact CD1-CE2 3.81Å; L197-Y248 HydrophobicContact CD1-CG 4.07Å; L244-Y248 PolarHBondContact O-N 2.77Å; L244-Y248 VanDerWaalsContact O-N 3.16Å; F245-Y248 PolarHBondContact O-N 3Å; N246-Y248 VanDerWaalsContact C-N 3.33Å; N246-Y248 PolarHBondContact O-N 2.95Å; Y248-A251 PolarHBondContact O-N 2.69Å; Y248-A252 WeakPolarHBondContact O-CB 3.33Å; Y248-A252 PolarHBondContact O-N 2.98Å; Y248-L305 HydrophobicContact CD1-CD2 3.97Å; Y248-L305 HydrophobicContact CE1-CD2 4.13Å
249L92.7Very high92.1Very high10 Ų1052.4 Ų52.45%0.05228%0.275CS..Hα-helixtrans-63-42.9176.2179143.3000111.6F245 N246 A251 A252 M253 L302 L305 A306 L309 A311F245-L249 WeakPolarHBondContact O-CB 3.48Å; F245-L249 PolarHBondContact O-N 3.33Å; N246-L249 PolarHBondContact O-N 3.44Å; L249-A251 PolarHBondContact O-N 3.41Å; L249-A252 PolarHBondContact O-N 3.44Å; L249-M253 HydrophobicContact CD2-CG 4.16Å; L249-M253 HydrophobicContact CD2-SD 3.56Å; L249-M253 VanDerWaalsContact CD2-SD 3.56Å; L249-M253 WeakPolarHBondContact O-CG 3.46Å; L249-M253 PolarHBondContact O-N 3.02Å; L249-L302 HydrophobicContact CG-CD1 4.29Å; L249-L305 HydrophobicContact CD1-CG 4.32Å; L249-A306 HydrophobicContact CD1-CB 3.9Å; L249-L309 HydrophobicContact CB-CD1 4.25Å; L249-L309 HydrophobicContact CD1-CD1 3.92Å; L249-A311 HydrophobicContact CD1-CB 4.08Å; L249-A311 HydrophobicContact CD2-CB 4.29Å
250A93.2Very high92.2Very high55 Ų5551.3 Ų51.346%0.45527%0.265SS..Hα-helixtrans-62.1-42.9177.200000111.8N246 D247 A252 M253 H254N246-A250 WeakPolarHBondContact O-CB 3.35Å; N246-A250 PolarHBondContact O-N 3.42Å; D247-A250 PolarHBondContact O-N 2.83Å; A250-A252 VanDerWaalsContact C-N 3.35Å; A250-A252 PolarHBondContact O-N 2.82Å; A250-M253 PolarHBondContact O-N 3.48Å; A250-H254 PolarHBondContact O-N 3.15Å; A250-H254 VanDerWaalsContact O-N 3.09Å
251A93.3Very high92.4Very high47 Ų4751 Ų5139%0.38826%0.263SS..Hα-helixtrans-63.4-40.5174.500000111.9F191 D247 Y248 L249 H254 R255F191-A251 HydrophobicContact CE1-CB 4.02Å; F191-A251 HydrophobicContact CZ-CB 3.75Å; F191-A251 WeakPolarHBondContact CZ-O 3.11Å; D247-A251 PolarHBondContact O-N 3.02Å; Y248-A251 PolarHBondContact O-N 2.69Å; L249-A251 PolarHBondContact O-N 3.41Å; A251-H254 PolarHBondContact O-N 3.09Å; A251-R255 PolarHBondContact O-N 2.84Å
252A93.7Very high92.5Very high0 Ų054.9 Ų54.90%028%0.28CS..Hα-helixtrans-66.4-37.4176.600000112.3F191 Y248 L249 A250 R255 L256 F298 L302F191-A252 HydrophobicContact CD1-CB 3.59Å; F191-A252 VanDerWaalsContact CE1-CA 3.46Å; F191-A252 HydrophobicContact CE1-CB 3.57Å; F191-A252 VanDerWaalsContact CE1-N 3.33Å; F191-A252 HydrophobicContact CG-CB 4.27Å; F191-A252 HydrophobicContact CZ-CB 4.22Å; Y248-A252 WeakPolarHBondContact O-CB 3.33Å; Y248-A252 PolarHBondContact O-N 2.98Å; L249-A252 PolarHBondContact O-N 3.44Å; A250-A252 VanDerWaalsContact C-N 3.35Å; A250-A252 PolarHBondContact O-N 2.82Å; A252-R255 WeakPolarHBondContact O-CB 3.41Å; A252-R255 PolarHBondContact O-N 2.85Å; A252-L256 PolarHBondContact O-N 3.03Å; A252-F298 HydrophobicContact CB-CZ 4.12Å; A252-F298 WeakPolarHBondContact O-CE1 3.45Å; A252-L302 HydrophobicContact CB-CD1 3.62Å
253M91.9Very high92.5Very high70 Ų7051.2 Ų51.235%0.34527%0.266SS..Hα-helixtrans-61.5-43.2172.9-73.5-179.676.700111.7L249 A250 R255 L256 Q257 L302L249-M253 HydrophobicContact CD2-CG 4.16Å; L249-M253 HydrophobicContact CD2-SD 3.56Å; L249-M253 VanDerWaalsContact CD2-SD 3.56Å; L249-M253 WeakPolarHBondContact O-CG 3.46Å; L249-M253 PolarHBondContact O-N 3.02Å; A250-M253 PolarHBondContact O-N 3.48Å; M253-R255 VanDerWaalsContact C-N 3.32Å; M253-R255 PolarHBondContact O-N 3.13Å; M253-L256 PolarHBondContact O-N 3.48Å; M253-Q257 WeakPolarHBondContact O-CG 3.12Å; M253-Q257 PolarHBondContact O-N 3.09Å; M253-L302 HydrophobicContact CB-CD2 4.44Å; M253-L302 HydrophobicContact CG-CD2 3.88Å
254H92.1Very high92.4Very high109 Ų10949.7 Ų49.751%0.50525%0.254SS..Hα-helixtrans-63.2-38.5175.5-173.6-95.8000111.9A250 A251 Q257 N258A250-H254 PolarHBondContact O-N 3.15Å; A250-H254 VanDerWaalsContact O-N 3.09Å; A251-H254 PolarHBondContact O-N 3.09Å; H254-Q257 PolarHBondContact O-N 3.34Å; H254-N258 PolarHBondContact CE1-ND2 3.1Å; H254-N258 PolarHBondContact O-N 3.5Å; H254-N258 VanDerWaalsContact O-N 3.11Å
255R92.9Very high92.3Very high83 Ų8356.7 Ų56.731%0.31328%0.277SS..Hα-helixtrans-61.5-45.6172.9177.163.3-177.9-160.21.9112.1D189 F191 A251 A252 M253 Q257 N258 M259 F298D189-R255 VanDerWaalsContact O-CZ 3.27Å; D189-R255 PolarHBondContact O-NE 3.21Å; D189-R255 PolarHBondContact O-NH1 3.32Å; F191-R255 HydrophobicContact CD2-CB 3.9Å; F191-R255 HydrophobicContact CD2-CG 3.84Å; F191-R255 HydrophobicContact CE2-CB 3.56Å; F191-R255 HydrophobicContact CE2-CG 3.95Å; F191-R255 HydrophobicContact CZ-CB 4.39Å; A251-R255 PolarHBondContact O-N 2.84Å; A252-R255 WeakPolarHBondContact O-CB 3.41Å; A252-R255 PolarHBondContact O-N 2.85Å; M253-R255 VanDerWaalsContact C-N 3.32Å; M253-R255 PolarHBondContact O-N 3.13Å; R255-Q257 VanDerWaalsContact C-N 3.31Å; R255-Q257 PolarHBondContact O-N 3.3Å; R255-N258 PolarHBondContact O-N 3.17Å; R255-M259 HydrophobicContact CG-CG 4.44Å; R255-M259 HydrophobicContact CG-SD 4.15Å; R255-M259 WeakPolarHBondContact O-CG 3.48Å; R255-M259 PolarHBondContact O-N 3.07Å; R255-F298 HydrophobicContact CB-CE1 4.14Å; R255-F298 HydrophobicContact CB-CZ 4.32Å; R255-F298 HydrophobicContact CG-CE1 3.97Å; R255-F298 HydrophobicContact CG-CZ 4.12Å
256L93.4Very high92.1Very high3 Ų358.8 Ų58.82%0.01629%0.288CS..Hα-helixtrans-59-44.1177.5176.463.5000110.9A252 M253 N258 M259 V260 F298 H299 L302 P314 M320A252-L256 PolarHBondContact O-N 3.03Å; M253-L256 PolarHBondContact O-N 3.48Å; L256-N258 VanDerWaalsContact C-N 3.31Å; L256-N258 PolarHBondContact O-N 3.27Å; L256-M259 PolarHBondContact O-N 2.79Å; L256-V260 HydrophobicContact CD1-CG2 4.25Å; L256-V260 WeakPolarHBondContact O-CG2 3.33Å; L256-V260 PolarHBondContact O-N 3.02Å; L256-F298 HydrophobicContact CB-CD1 3.94Å; L256-F298 HydrophobicContact CB-CE1 3.87Å; L256-F298 HydrophobicContact CD1-CD1 4.03Å; L256-H299 HydrophobicContact CD1-CB 4.12Å; L256-H299 HydrophobicContact CD2-CB 4.36Å; L256-L302 HydrophobicContact CB-CD2 4.13Å; L256-L302 HydrophobicContact CD2-CD2 3.84Å; L256-P314 HydrophobicContact CD2-CB 4.06Å; L256-M320 HydrophobicContact CD2-CE 4.24Å; L256-M320 HydrophobicContact CD2-SD 4.34Å; L256-M320 HydrophobicContact CG-CE 4.28Å
257Q91.8Very high91.9Very high96 Ų9658.5 Ų58.545%0.44929%0.286SS..Hα-helixtrans-58.9-41.7176.4-72.2176.3-17.600112.3M253 H254 R255 V260 K261M253-Q257 WeakPolarHBondContact O-CG 3.12Å; M253-Q257 PolarHBondContact O-N 3.09Å; H254-Q257 PolarHBondContact O-N 3.34Å; R255-Q257 VanDerWaalsContact C-N 3.31Å; R255-Q257 PolarHBondContact O-N 3.3Å; Q257-V260 PolarHBondContact O-N 2.65Å; Q257-K261 WeakPolarHBondContact O-CG 3.31Å; Q257-K261 PolarHBondContact O-N 3.11Å
258N92Very high91.6Very high67 Ų6755.1 Ų55.136%0.35827%0.271SS..Hα-helixtrans-67.2-41.3176.9-71.4-19.2000112.4H254 R255 L256 V260 K261 E262H254-N258 PolarHBondContact CE1-ND2 3.1Å; H254-N258 PolarHBondContact O-N 3.5Å; H254-N258 VanDerWaalsContact O-N 3.11Å; R255-N258 PolarHBondContact O-N 3.17Å; L256-N258 VanDerWaalsContact C-N 3.31Å; L256-N258 PolarHBondContact O-N 3.27Å; N258-V260 VanDerWaalsContact C-N 3.32Å; N258-V260 PolarHBondContact O-N 3.14Å; N258-K261 PolarHBondContact O-N 3.49Å; N258-E262 WeakPolarHBondContact O-CB 3.27Å; N258-E262 PolarHBondContact O-N 2.82Å
259M92.1Very high91.4Very high19 Ų1955.3 Ų55.39%0.09428%0.276CS..Hα-helixtrans-64-38.5176.3-69-179.464.100112R255 L256 E262 T263 A294 C295 F298R255-M259 HydrophobicContact CG-CG 4.44Å; R255-M259 HydrophobicContact CG-SD 4.15Å; R255-M259 WeakPolarHBondContact O-CG 3.48Å; R255-M259 PolarHBondContact O-N 3.07Å; L256-M259 PolarHBondContact O-N 2.79Å; M259-E262 PolarHBondContact O-N 3.21Å; M259-T263 WeakPolarHBondContact O-CB 3.29Å; M259-T263 PolarHBondContact O-N 3.2Å; M259-T263 PolarHBondContact O-OG1 3.35Å; M259-A294 HydrophobicContact CE-CB 4.21Å; M259-C295 VanDerWaalsContact CB-SG 3.6Å; M259-F298 HydrophobicContact CE-CB 4.49Å; M259-F298 HydrophobicContact SD-CD1 4Å; M259-F298 HydrophobicContact SD-CG 4.3Å
260V92.3Very high91.1Very high8 Ų855.4 Ų55.45%0.04828%0.276CS..Hα-helixtrans-63.1-47.91741670000110.9L256 Q257 N258 E262 T263 Q264 M320 I321L256-V260 HydrophobicContact CD1-CG2 4.25Å; L256-V260 WeakPolarHBondContact O-CG2 3.33Å; L256-V260 PolarHBondContact O-N 3.02Å; Q257-V260 PolarHBondContact O-N 2.65Å; N258-V260 VanDerWaalsContact C-N 3.32Å; N258-V260 PolarHBondContact O-N 3.14Å; V260-E262 VanDerWaalsContact C-N 3.3Å; V260-E262 PolarHBondContact O-N 3Å; V260-T263 WeakPolarHBondContact O-CB 3.14Å; V260-T263 PolarHBondContact O-N 3.43Å; V260-T263 VanDerWaalsContact O-N 3.13Å; V260-Q264 HydrophobicContact CG1-CG 4.47Å; V260-Q264 WeakPolarHBondContact O-CG 3.32Å; V260-Q264 PolarHBondContact O-N 2.93Å; V260-M320 HydrophobicContact CG1-CB 4.19Å; V260-M320 WeakPolarHBondContact CG1-O 3.5Å; V260-M320 HydrophobicContact CG2-CB 4.33Å; V260-M320 HydrophobicContact CG2-CE 4.06Å; V260-I321 HydrophobicContact CG1-CD1 4.31Å; V260-I321 HydrophobicContact CG2-CD1 4.37Å
261K91.4Very high90.5Very high124 Ų12457.4 Ų57.454%0.53927%0.272SS..Hα-helixtrans-59-40.2176.2-73.5175.1-178.9178.80112.7Q257 N258 R265Q257-K261 WeakPolarHBondContact O-CG 3.31Å; Q257-K261 PolarHBondContact O-N 3.11Å; N258-K261 PolarHBondContact O-N 3.49Å; K261-R265 WeakPolarHBondContact O-CB 3.44Å; K261-R265 PolarHBondContact O-N 3.48Å
262E91.5Very high89.9Confident99 Ų9958.1 Ų58.146%0.46327%0.269SS..Hα-helixtrans-66-42.8175.7-170.2178.9-175.700111.4N258 M259 V260 R265 I266 L291N258-E262 WeakPolarHBondContact O-CB 3.27Å; N258-E262 PolarHBondContact O-N 2.82Å; M259-E262 PolarHBondContact O-N 3.21Å; V260-E262 VanDerWaalsContact C-N 3.3Å; V260-E262 PolarHBondContact O-N 3Å; E262-R265 PolarHBondContact O-N 3.27Å; E262-I266 WeakPolarHBondContact O-CG1 3.37Å; E262-I266 PolarHBondContact O-N 2.95Å; E262-L291 HydrophobicContact CB-CD2 4.22Å; E262-L291 HydrophobicContact CG-CD2 3.84Å
263T91.1Very high89.1Confident1 Ų159.3 Ų59.31%0.00628%0.275CS..Hα-helixtrans-61.2-47.4176.6-54.80000111.5M259 V260 R265 I266 I267 L291 M292 C295 I321M259-T263 WeakPolarHBondContact O-CB 3.29Å; M259-T263 PolarHBondContact O-N 3.2Å; M259-T263 PolarHBondContact O-OG1 3.35Å; V260-T263 WeakPolarHBondContact O-CB 3.14Å; V260-T263 PolarHBondContact O-N 3.43Å; V260-T263 VanDerWaalsContact O-N 3.13Å; T263-R265 VanDerWaalsContact C-N 3.35Å; T263-R265 PolarHBondContact O-N 3.15Å; T263-I266 PolarHBondContact O-N 3.44Å; T263-I267 HydrophobicContact CG2-CD1 3.81Å; T263-I267 HydrophobicContact CG2-CG1 4.48Å; T263-I267 WeakPolarHBondContact O-CG1 3.41Å; T263-I267 PolarHBondContact O-N 2.9Å; T263-L291 WeakPolarHBondContact OG1-CG 3.5Å; T263-M292 HydrophobicContact CG2-CG 3.51Å; T263-C295 PolarHBondContact OG1-SG 3.47Å; T263-I321 HydrophobicContact CG2-CD1 3.98Å
264Q90.2Very high88.3Confident44 Ų4458.6 Ų58.621%0.20627%0.272CS..Hα-helixtrans-59.1-44.5175.6-73.9172.8-40.700111.5V260 I266 I267 S268 M320 K322V260-Q264 HydrophobicContact CG1-CG 4.47Å; V260-Q264 WeakPolarHBondContact O-CG 3.32Å; V260-Q264 PolarHBondContact O-N 2.93Å; Q264-I266 VanDerWaalsContact C-N 3.34Å; Q264-I266 PolarHBondContact O-N 3.43Å; Q264-I267 PolarHBondContact O-N 2.81Å; Q264-S268 WeakPolarHBondContact O-CB 3.17Å; Q264-S268 PolarHBondContact O-N 3.34Å; Q264-M320 PolarHBondContact NE2-O 3.33Å; Q264-K322 PolarHBondContact NE2-O 2.86Å
265R90.9Very high87.2Confident187 Ų18755.8 Ų55.871%0.70626%0.259SS*.Hα-helixtrans-59.3-43.2177.4-171.9-170.8-61.8171.5-0.6112.3K261 E262 T263 G269K261-R265 WeakPolarHBondContact O-CB 3.44Å; K261-R265 PolarHBondContact O-N 3.48Å; E262-R265 PolarHBondContact O-N 3.27Å; T263-R265 VanDerWaalsContact C-N 3.35Å; T263-R265 PolarHBondContact O-N 3.15Å; R265-G269 PolarHBondContact O-N 3.37Å
266I89Confident86.1Confident45 Ų4554.1 Ų54.123%0.23126%0.26CS..Hα-helixtrans-69.4-43178.7-64-63.5000111E262 T263 Q264 G269 N270 A288E262-I266 WeakPolarHBondContact O-CG1 3.37Å; E262-I266 PolarHBondContact O-N 2.95Å; T263-I266 PolarHBondContact O-N 3.44Å; Q264-I266 VanDerWaalsContact C-N 3.34Å; Q264-I266 PolarHBondContact O-N 3.43Å; I266-G269 PolarHBondContact O-N 3.03Å; I266-N270 WeakPolarHBondContact O-CB 3.47Å; I266-N270 PolarHBondContact O-N 3.46Å; I266-N270 PolarHBondContact O-OD1 3.28Å; I266-A288 HydrophobicContact CG2-CB 3.89Å
267I88.3Confident84.9Confident50 Ų5056.6 Ų56.626%0.25627%0.269SS..Hα-helixtrans-62.6-46.6177.5-68.2170.3000110.9T263 Q264 G269 N270 R271 M292 I321T263-I267 HydrophobicContact CG2-CD1 3.81Å; T263-I267 HydrophobicContact CG2-CG1 4.48Å; T263-I267 WeakPolarHBondContact O-CG1 3.41Å; T263-I267 PolarHBondContact O-N 2.9Å; Q264-I267 PolarHBondContact O-N 2.81Å; I267-G269 PolarHBondContact O-N 3.25Å; I267-N270 WeakPolarHBondContact O-CB 3.49Å; I267-N270 PolarHBondContact O-N 3.48Å; I267-R271 PolarHBondContact O-N 2.89Å; I267-M292 HydrophobicContact CD1-CG 4.25Å; I267-M292 HydrophobicContact CD1-SD 3.91Å; I267-I321 HydrophobicContact CD1-CG2 4.23Å
268S86.7Confident83.6Confident32 Ų3252.3 Ų52.322%0.22425%0.251CS..Hα-helixtrans-60-46.9175.3-174.60000111Q264 N270 R271 D272Q264-S268 WeakPolarHBondContact O-CB 3.17Å; Q264-S268 PolarHBondContact O-N 3.34Å; S268-N270 VanDerWaalsContact C-N 3.25Å; S268-N270 PolarHBondContact O-N 2.86Å; S268-R271 WeakPolarHBondContact O-CA 3.45Å; S268-R271 VanDerWaalsContact O-CB 3.32Å; S268-R271 WeakPolarHBondContact O-CB 3.39Å; S268-R271 PolarHBondContact O-N 2.87Å; S268-D272 VanDerWaalsContact O-CG 3.24Å; S268-D272 PolarHBondContact O-N 3.11Å; S268-D272 VanDerWaalsContact O-OD2 3.08Å
269G88.1Confident82.7Confident13 Ų1350.8 Ų50.813%0.13424%0.242CC..Hα-helixtrans-64.8-27.5177.600000113.9R265 I266 I267 Q273 R284R265-G269 PolarHBondContact O-N 3.37Å; I266-G269 PolarHBondContact O-N 3.03Å; I267-G269 PolarHBondContact O-N 3.25Å; G269-Q273 WeakPolarHBondContact O-CB 3.44Å; G269-Q273 PolarHBondContact O-N 3.48Å; G269-Q273 VanDerWaalsContact O-N 3.13Å; G269-R284 VanDerWaalsContact C-NH2 3.34Å; G269-R284 PolarHBondContact O-NH1 3.19Å; G269-R284 PolarHBondContact O-NH2 3.01Å
270N87.8Confident82.2Confident11 Ų1151.6 Ų51.66%0.05925%0.247CC..Hα-helixtrans-70.4-41.1170.4-719.6000110.6I266 I267 S268 Q273 L274 V280 R284I266-N270 WeakPolarHBondContact O-CB 3.47Å; I266-N270 PolarHBondContact O-N 3.46Å; I266-N270 PolarHBondContact O-OD1 3.28Å; I267-N270 WeakPolarHBondContact O-CB 3.49Å; I267-N270 PolarHBondContact O-N 3.48Å; S268-N270 VanDerWaalsContact C-N 3.25Å; S268-N270 PolarHBondContact O-N 2.86Å; N270-Q273 PolarHBondContact O-N 2.96Å; N270-L274 WeakPolarHBondContact O-CB 3.34Å; N270-L274 PolarHBondContact O-N 3.26Å; N270-V280 HydrophobicContact CB-CG1 3.99Å; N270-V280 HydrophobicContact CB-CG2 4.15Å; N270-V280 WeakPolarHBondContact O-CG2 3.3Å; N270-R284 PolarHBondContact ND2-O 3.4Å; N270-R284 WeakPolarHBondContact OD1-CD 3.49Å; N270-R284 WeakPolarHBondContact OD1-CG 3.25Å; N270-R284 PolarHBondContact OD1-NE 3.38Å
271R80.5Confident81.5Confident97 Ų9753.7 Ų53.737%0.36626%0.263SS..Hα-helixtrans-60.9-47.4174.3-176-170.459.964.712.1111I267 S268 Q273 L274 E275I267-R271 PolarHBondContact O-N 2.89Å; S268-R271 WeakPolarHBondContact O-CA 3.45Å; S268-R271 VanDerWaalsContact O-CB 3.32Å; S268-R271 WeakPolarHBondContact O-CB 3.39Å; S268-R271 PolarHBondContact O-N 2.87Å; R271-Q273 VanDerWaalsContact C-N 3.25Å; R271-Q273 PolarHBondContact O-N 3.49Å; R271-L274 WeakPolarHBondContact O-CB 3.44Å; R271-L274 PolarHBondContact O-N 2.75Å; R271-L274 VanDerWaalsContact O-N 3.12Å; R271-E275 VanDerWaalsContact CG-OE1 3.32Å; R271-E275 WeakPolarHBondContact CG-OE1 3.49Å; R271-E275 IonicContact CZ-OE1 3.68Å; R271-E275 IonicContact NH1-OE1 3.27Å; R271-E275 PolarHBondContact NH1-OE1 2.79Å; R271-E275 IonicContact NH1-OE2 3.89Å; R271-E275 PolarHBondContact NH1-OE2 3.32Å; R271-E275 WeakPolarHBondContact O-CG 3.36Å; R271-E275 PolarHBondContact O-N 3.19Å
272D79.6Confident81Confident63 Ų6355.6 Ų55.634%0.33727%0.273SS..Hα-helixtrans-60.7-37.1177.8-60-36000111.5S268 E275 S276S268-D272 VanDerWaalsContact O-CG 3.24Å; S268-D272 PolarHBondContact O-N 3.11Å; S268-D272 VanDerWaalsContact O-OD2 3.08Å; D272-E275 PolarHBondContact O-N 3.16Å; D272-S276 VanDerWaalsContact O-CB 3.29Å; D272-S276 WeakPolarHBondContact O-CB 3.43Å; D272-S276 PolarHBondContact O-N 3.23Å; D272-S276 PolarHBondContact O-OG 3.31Å
273Q78.5Confident80.6Confident24 Ų2456.4 Ų56.411%0.11228%0.277CS..Hα-helixtrans-71.7-40174.9-165.6178.5-14.600112.3G269 N270 R271 E275 R277 G278 R284G269-Q273 WeakPolarHBondContact O-CB 3.44Å; G269-Q273 PolarHBondContact O-N 3.48Å; G269-Q273 VanDerWaalsContact O-N 3.13Å; N270-Q273 PolarHBondContact O-N 2.96Å; R271-Q273 VanDerWaalsContact C-N 3.25Å; R271-Q273 PolarHBondContact O-N 3.49Å; Q273-E275 PolarHBondContact O-N 2.93Å; Q273-R277 HydrophobicContact CG-CB 4.24Å; Q273-R277 HydrophobicContact CG-CG 4Å; Q273-R277 VanDerWaalsContact O-CA 3.3Å; Q273-R277 WeakPolarHBondContact O-CA 3.35Å; Q273-R277 WeakPolarHBondContact O-CB 3.34Å; Q273-R277 PolarHBondContact O-N 3.13Å; Q273-G278 PolarHBondContact O-N 2.62Å; Q273-R284 VanDerWaalsContact OE1-CD 3.28Å
274L74.8Confident80.4Confident56 Ų5659.4 Ų59.429%0.29329%0.288SS..Hα-helixtrans-61.2-37.1173.9-17464.9000111.3N270 R271 G278 V280 H567N270-L274 WeakPolarHBondContact O-CB 3.34Å; N270-L274 PolarHBondContact O-N 3.26Å; R271-L274 WeakPolarHBondContact O-CB 3.44Å; R271-L274 PolarHBondContact O-N 2.75Å; R271-L274 VanDerWaalsContact O-N 3.12Å; L274-G278 CarbonylContact O-C 3.44Å; L274-G278 WeakPolarHBondContact O-CA 3.35Å; L274-G278 PolarHBondContact O-N 3.34Å; L274-V280 HydrophobicContact CB-CG2 3.82Å; L274-V280 HydrophobicContact CD1-CG2 4.35Å; L274-H567 HydrophobicContact CD1-CB 4.4Å
275E69.6Low80.2Confident49 Ų4961.1 Ų61.123%0.22930%0.296CS..Hα-helixtrans-73.8-58.2177.7-72.8170.5-167.200111R271 D272 Q273 R277 I604R271-E275 VanDerWaalsContact CG-OE1 3.32Å; R271-E275 WeakPolarHBondContact CG-OE1 3.49Å; R271-E275 IonicContact CZ-OE1 3.68Å; R271-E275 IonicContact NH1-OE1 3.27Å; R271-E275 PolarHBondContact NH1-OE1 2.79Å; R271-E275 IonicContact NH1-OE2 3.89Å; R271-E275 PolarHBondContact NH1-OE2 3.32Å; R271-E275 WeakPolarHBondContact O-CG 3.36Å; R271-E275 PolarHBondContact O-N 3.19Å; D272-E275 PolarHBondContact O-N 3.16Å; Q273-E275 PolarHBondContact O-N 2.93Å; E275-R277 PolarHBondContact O-N 3.19Å; E275-I604 CarbonylContact O-C 3.18Å; E275-I604 WeakPolarHBondContact O-CB 3.38Å
276S68.4Low80.1Confident49 Ų4958.1 Ų58.134%0.34329%0.29SS..Hα-helixtrans-72.5-26.8-175.4610000115.1D272 I604D272-S276 VanDerWaalsContact O-CB 3.29Å; D272-S276 WeakPolarHBondContact O-CB 3.43Å; D272-S276 PolarHBondContact O-N 3.23Å; D272-S276 PolarHBondContact O-OG 3.31Å; S276-I604 CarbonylContact C-O 3.35Å
277R68.4Low80.1Confident55 Ų5562 Ų6221%0.20830%0.302CS..Hα-helixtrans-118.8-3.1-177.5-50.1-165.8-172.3-173.76.2113.5Q273 E275 E279 E394 I396 R608Q273-R277 HydrophobicContact CG-CB 4.24Å; Q273-R277 HydrophobicContact CG-CG 4Å; Q273-R277 VanDerWaalsContact O-CA 3.3Å; Q273-R277 WeakPolarHBondContact O-CA 3.35Å; Q273-R277 WeakPolarHBondContact O-CB 3.34Å; Q273-R277 PolarHBondContact O-N 3.13Å; E275-R277 PolarHBondContact O-N 3.19Å; R277-E279 PolarHBondContact O-N 3.48Å; R277-E279 VanDerWaalsContact O-N 3.07Å; R277-E394 IonicContact CZ-OE2 2.89Å; R277-E394 IonicContact NH1-OE2 3.65Å; R277-E394 PolarHBondContact NH1-OE2 2.94Å; R277-E394 VanDerWaalsContact NH1-OE2 3.08Å; R277-E394 IonicContact NH2-OE2 3.22Å; R277-E394 PolarHBondContact NH2-OE2 2.73Å; R277-I396 HydrophobicContact CB-CD1 4.45Å; R277-I396 HydrophobicContact CG-CD1 4.39Å; R277-R608 WeakPolarHBondContact O-CG 3.35Å; R277-R608 PolarHBondContact O-NE 3.01Å
278G64.3Low80.1Confident5 Ų559.8 Ų59.85%0.05229%0.291CS..SBendtrans71.9-7.5-179.300000115.6Q273 L274Q273-G278 PolarHBondContact O-N 2.62Å; L274-G278 CarbonylContact O-C 3.44Å; L274-G278 WeakPolarHBondContact O-CA 3.35Å; L274-G278 PolarHBondContact O-N 3.34Å
279E73.8Confident80.3Confident36 Ų3663.1 Ų63.117%0.16830%0.303CS..  trans-153.1157.6-178.674.3-172.7174.100112.1R277 K574 R608R277-E279 PolarHBondContact O-N 3.48Å; R277-E279 VanDerWaalsContact O-N 3.07Å; E279-K574 IonicContact OE1-NZ 3.6Å; E279-K574 IonicContact OE2-NZ 3.24Å; E279-K574 PolarHBondContact OE2-NZ 3.09Å; E279-R608 IonicContact OE1-CZ 3.19Å; E279-R608 IonicContact OE1-NH1 2.87Å; E279-R608 PolarHBondContact OE1-NH1 3.42Å; E279-R608 IonicContact OE1-NH2 3.35Å; E279-R608 PolarHBondContact OE1-NH2 3.02Å; E279-R608 IonicContact OE2-NH1 2.76Å; E279-R608 PolarHBondContact OE2-NH1 3.46Å
280V80.4Confident80.5Confident35 Ų3569.2 Ų69.221%0.21233%0.328CS..  trans-117.6132.5173.7-177.70000107.4N270 L274 R284N270-V280 HydrophobicContact CB-CG1 3.99Å; N270-V280 HydrophobicContact CB-CG2 4.15Å; N270-V280 WeakPolarHBondContact O-CG2 3.3Å; L274-V280 HydrophobicContact CB-CG2 3.82Å; L274-V280 HydrophobicContact CD1-CG2 4.35Å; V280-R284 HydrophobicContact CG1-CB 4.01Å
281S79.2Confident80.6Confident53 Ų5370.1 Ų70.137%0.37133%0.332SS..  trans-62.7144.4179.161.50000111.1E283 R284 Q285S281-E283 PolarHBondContact O-N 2.95Å; S281-R284 PolarHBondContact O-N 3.33Å; S281-R284 WeakPolarHBondContact OG-CB 3.49Å; S281-R284 PolarHBondContact OG-N 3.39Å; S281-Q285 PolarHBondContact O-N 3.44Å
282E79.7Confident81.2Confident163 Ų16367.3 Ų67.376%0.76232%0.324SS*.Hα-helixtrans-54-41.3178-67.4-173.2155.300111.1R284 Q285 E286E282-R284 VanDerWaalsContact C-N 3.3Å; E282-R284 PolarHBondContact O-N 2.87Å; E282-Q285 WeakPolarHBondContact O-CB 3.39Å; E282-Q285 PolarHBondContact O-N 3.43Å; E282-E286 WeakPolarHBondContact O-CB 3.2Å; E282-E286 WeakPolarHBondContact O-CG 3.49Å; E282-E286 PolarHBondContact O-N 3.24Å
283E83.6Confident81.8Confident116 Ų11666.7 Ų66.754%0.54232%0.324SS..Hα-helixtrans-58.3-39.6177.1-162.3-164.9157.400112.6S281 R287S281-E283 PolarHBondContact O-N 2.95Å; E283-R287 WeakPolarHBondContact O-CB 3.3Å; E283-R287 WeakPolarHBondContact O-CG 3.41Å; E283-R287 PolarHBondContact O-N 2.96Å; E283-R287 IonicContact OE1-CZ 2.81Å; E283-R287 IonicContact OE1-NE 2.58Å; E283-R287 PolarHBondContact OE1-NE 2.94Å; E283-R287 IonicContact OE1-NH2 3.84Å; E283-R287 PolarHBondContact OE1-NH2 3.5Å; E283-R287 IonicContact OE2-NH2 3.58Å; E283-R287 PolarHBondContact OE2-NH2 3.06Å
284R86.5Confident82.4Confident64 Ų6467.2 Ų67.224%0.24233%0.333CS..Hα-helixtrans-76.8-32.3-179.3-155-178.5174.2166.31.5111.6G269 N270 Q273 V280 S281 E282 A288G269-R284 VanDerWaalsContact C-NH2 3.34Å; G269-R284 PolarHBondContact O-NH1 3.19Å; G269-R284 PolarHBondContact O-NH2 3.01Å; N270-R284 PolarHBondContact ND2-O 3.4Å; N270-R284 WeakPolarHBondContact OD1-CD 3.49Å; N270-R284 WeakPolarHBondContact OD1-CG 3.25Å; N270-R284 PolarHBondContact OD1-NE 3.38Å; Q273-R284 VanDerWaalsContact OE1-CD 3.28Å; V280-R284 HydrophobicContact CG1-CB 4.01Å; S281-R284 PolarHBondContact O-N 3.33Å; S281-R284 WeakPolarHBondContact OG-CB 3.49Å; S281-R284 PolarHBondContact OG-N 3.39Å; E282-R284 VanDerWaalsContact C-N 3.3Å; E282-R284 PolarHBondContact O-N 2.87Å; R284-A288 PolarHBondContact O-N 3.43Å
285Q86.4Confident83.3Confident80 Ų8064.5 Ų64.537%0.37432%0.319SS..Hα-helixtrans-65.9-48.1171.5-176.260.324.700111S281 E282 R287 A288 E289S281-Q285 PolarHBondContact O-N 3.44Å; E282-Q285 WeakPolarHBondContact O-CB 3.39Å; E282-Q285 PolarHBondContact O-N 3.43Å; Q285-R287 VanDerWaalsContact C-N 3.33Å; Q285-R287 PolarHBondContact O-N 2.91Å; Q285-A288 WeakPolarHBondContact O-CB 3.44Å; Q285-A288 PolarHBondContact O-N 3.48Å; Q285-A288 VanDerWaalsContact O-N 3.13Å; Q285-E289 PolarHBondContact NE2-OE1 3.48Å; Q285-E289 WeakPolarHBondContact O-CG 3.39Å; Q285-E289 PolarHBondContact O-N 3.47Å
286E89.2Confident84.4Confident125 Ų12568.4 Ų68.458%0.58433%0.331SS*.Hα-helixtrans-59.5-42175.3-73.7-178.8175.500111.8E282 A288 E289 H290E282-E286 WeakPolarHBondContact O-CB 3.2Å; E282-E286 WeakPolarHBondContact O-CG 3.49Å; E282-E286 PolarHBondContact O-N 3.24Å; E286-A288 PolarHBondContact O-N 2.94Å; E286-E289 PolarHBondContact O-N 2.8Å; E286-H290 VanDerWaalsContact O-CB 3.23Å; E286-H290 WeakPolarHBondContact O-CB 3.42Å; E286-H290 PolarHBondContact O-N 3.35Å
287R88.5Confident85.6Confident127 Ų12772.2 Ų72.248%0.47934%0.342SS..Hα-helixtrans-59.4-44.5173.9-77.2-174.7-127.5149-6111.8E283 Q285 L291E283-R287 WeakPolarHBondContact O-CB 3.3Å; E283-R287 WeakPolarHBondContact O-CG 3.41Å; E283-R287 PolarHBondContact O-N 2.96Å; E283-R287 IonicContact OE1-CZ 2.81Å; E283-R287 IonicContact OE1-NE 2.58Å; E283-R287 PolarHBondContact OE1-NE 2.94Å; E283-R287 IonicContact OE1-NH2 3.84Å; E283-R287 PolarHBondContact OE1-NH2 3.5Å; E283-R287 IonicContact OE2-NH2 3.58Å; E283-R287 PolarHBondContact OE2-NH2 3.06Å; Q285-R287 VanDerWaalsContact C-N 3.33Å; Q285-R287 PolarHBondContact O-N 2.91Å; R287-L291 WeakPolarHBondContact O-CB 3.41Å; R287-L291 PolarHBondContact O-N 3.23Å
288A88.8Confident86.9Confident2 Ų270.7 Ų70.72%0.01734%0.336CS..Hα-helixtrans-64.5-44.5177.600000111.7I266 R284 Q285 E286 L291 M292I266-A288 HydrophobicContact CG2-CB 3.89Å; R284-A288 PolarHBondContact O-N 3.43Å; Q285-A288 WeakPolarHBondContact O-CB 3.44Å; Q285-A288 PolarHBondContact O-N 3.48Å; Q285-A288 VanDerWaalsContact O-N 3.13Å; E286-A288 PolarHBondContact O-N 2.94Å; A288-L291 PolarHBondContact O-N 3.4Å; A288-M292 WeakPolarHBondContact O-CB 3.36Å; A288-M292 WeakPolarHBondContact O-CG 3.43Å; A288-M292 PolarHBondContact O-N 3.26Å
289E90.5Very high88.3Confident102 Ų10271.5 Ų71.548%0.47734%0.339SS..Hα-helixtrans-65-42.5178.2-72.2177.5-170.300112.6Q285 E286 M292 S293Q285-E289 PolarHBondContact NE2-OE1 3.48Å; Q285-E289 WeakPolarHBondContact O-CG 3.39Å; Q285-E289 PolarHBondContact O-N 3.47Å; E286-E289 PolarHBondContact O-N 2.8Å; E289-M292 HydrophobicContact CG-CE 4.24Å; E289-M292 PolarHBondContact O-N 3.33Å; E289-S293 VanDerWaalsContact O-CB 3.3Å; E289-S293 WeakPolarHBondContact O-CB 3.2Å; E289-S293 PolarHBondContact O-N 3.45Å
290H92.2Very high89.3Confident142 Ų14275.6 Ų75.666%0.65736%0.358SS*.Hα-helixtrans-61.8-46.4175.7-179.2-87.9000111.2E286 S293 A294E286-H290 VanDerWaalsContact O-CB 3.23Å; E286-H290 WeakPolarHBondContact O-CB 3.42Å; E286-H290 PolarHBondContact O-N 3.35Å; H290-S293 PolarHBondContact O-N 3.02Å; H290-A294 WeakPolarHBondContact O-CB 3.31Å; H290-A294 PolarHBondContact O-N 2.9Å
291L90.3Very high89.9Confident29 Ų2976.1 Ų76.115%0.15236%0.363CS..Hα-helixtrans-67.1-41.6179-171.463.1000111.9E262 T263 R287 A288 S293 A294 C295E262-L291 HydrophobicContact CB-CD2 4.22Å; E262-L291 HydrophobicContact CG-CD2 3.84Å; T263-L291 WeakPolarHBondContact OG1-CG 3.5Å; R287-L291 WeakPolarHBondContact O-CB 3.41Å; R287-L291 PolarHBondContact O-N 3.23Å; A288-L291 PolarHBondContact O-N 3.4Å; L291-S293 PolarHBondContact O-N 3.29Å; L291-A294 PolarHBondContact O-N 2.89Å; L291-C295 WeakPolarHBondContact O-CB 3.49Å; L291-C295 PolarHBondContact O-N 3.46Å; L291-C295 PolarHBondContact O-SG 2.87Å
292M91.5Very high90.7Very high39 Ų3973.7 Ų73.719%0.19235%0.346CS..Hα-helixtrans-58.8-45.4172.5-81-167.9-72.800111.8T263 I267 A288 E289 C295 R296T263-M292 HydrophobicContact CG2-CG 3.51Å; I267-M292 HydrophobicContact CD1-CG 4.25Å; I267-M292 HydrophobicContact CD1-SD 3.91Å; A288-M292 WeakPolarHBondContact O-CB 3.36Å; A288-M292 WeakPolarHBondContact O-CG 3.43Å; A288-M292 PolarHBondContact O-N 3.26Å; E289-M292 HydrophobicContact CG-CE 4.24Å; E289-M292 PolarHBondContact O-N 3.33Å; M292-C295 PolarHBondContact O-N 3.35Å; M292-R296 WeakPolarHBondContact O-CG 3.28Å; M292-R296 PolarHBondContact O-N 3.32Å
293S92.4Very high91.4Very high50 Ų5067.3 Ų67.335%0.3532%0.32SS..Hα-helixtrans-63.1-41.8177.4-172.20000111.8E289 H290 L291 R296 K297E289-S293 VanDerWaalsContact O-CB 3.3Å; E289-S293 WeakPolarHBondContact O-CB 3.2Å; E289-S293 PolarHBondContact O-N 3.45Å; H290-S293 PolarHBondContact O-N 3.02Å; L291-S293 PolarHBondContact O-N 3.29Å; S293-R296 PolarHBondContact O-N 2.87Å; S293-K297 WeakPolarHBondContact O-CG 3.29Å; S293-K297 PolarHBondContact O-N 3.14Å; S293-K297 VanDerWaalsContact O-N 3.09Å
294A91.9Very high91.9Very high34 Ų3464.6 Ų64.628%0.28131%0.311SS..Hα-helixtrans-63.2-43.7174.900000111.9M259 H290 L291 K297 F298M259-A294 HydrophobicContact CE-CB 4.21Å; H290-A294 WeakPolarHBondContact O-CB 3.31Å; H290-A294 PolarHBondContact O-N 2.9Å; L291-A294 PolarHBondContact O-N 2.89Å; A294-K297 PolarHBondContact O-N 3.15Å; A294-F298 WeakPolarHBondContact O-CB 3.22Å; A294-F298 PolarHBondContact O-N 2.92Å
295C93.1Very high92.3Very high0 Ų061.5 Ų61.50%030%0.299CS..Hα-helixtrans-62.4-44.3176.4-66.90000112.3M259 T263 L291 M292 F298 H299 F317M259-C295 VanDerWaalsContact CB-SG 3.6Å; T263-C295 PolarHBondContact OG1-SG 3.47Å; L291-C295 WeakPolarHBondContact O-CB 3.49Å; L291-C295 PolarHBondContact O-N 3.46Å; L291-C295 PolarHBondContact O-SG 2.87Å; M292-C295 PolarHBondContact O-N 3.35Å; C295-F298 PolarHBondContact O-N 3.42Å; C295-H299 WeakPolarHBondContact O-CB 3.35Å; C295-H299 PolarHBondContact O-N 3.41Å; C295-F317 HydrophobicContact CB-CE2 3.75Å; C295-F317 HydrophobicContact CB-CZ 4.13Å
296R93.6Very high92.7Very high131 Ų13157.8 Ų57.849%0.49428%0.282SS..Hα-helixtrans-59.6-50.1176.9-74.1-179.9-173.9159.74.8111.7M292 S293 F298 H299 E300 F317M292-R296 WeakPolarHBondContact O-CG 3.28Å; M292-R296 PolarHBondContact O-N 3.32Å; S293-R296 PolarHBondContact O-N 2.87Å; R296-F298 VanDerWaalsContact C-N 3.27Å; R296-F298 PolarHBondContact O-N 3.36Å; R296-H299 PolarHBondContact O-N 3.13Å; R296-E300 WeakPolarHBondContact O-CG 3.32Å; R296-E300 PolarHBondContact O-N 3.43Å; R296-F317 HydrophobicContact CB-CE2 4.39Å; R296-F317 HydrophobicContact CB-CZ 4.4Å; R296-F317 HydrophobicContact CG-CD1 3.74Å; R296-F317 HydrophobicContact CG-CD2 4.05Å; R296-F317 HydrophobicContact CG-CE1 3.33Å; R296-F317 HydrophobicContact CG-CE2 3.67Å; R296-F317 HydrophobicContact CG-CG 4.09Å; R296-F317 HydrophobicContact CG-CZ 3.29Å; R296-F317 VanDerWaalsContact NE-CE1 3.27Å
297K93.5Very high92.9Very high129 Ų12954.4 Ų54.456%0.56127%0.268SS*.Hα-helixtrans-60.5-37.5178.4-71172.4-176.6172.60112.4S293 A294 S301S293-K297 WeakPolarHBondContact O-CG 3.29Å; S293-K297 PolarHBondContact O-N 3.14Å; S293-K297 VanDerWaalsContact O-N 3.09Å; A294-K297 PolarHBondContact O-N 3.15Å; K297-S301 WeakPolarHBondContact O-CB 3.37Å; K297-S301 PolarHBondContact O-N 3.42Å; K297-S301 VanDerWaalsContact O-N 3.15Å; K297-S301 PolarHBondContact O-OG 2.73Å
298F94.6Very high93.2Very high22 Ų2248.7 Ų48.710%0.09625%0.247CC..Hα-helixtrans-70.8-42.6177.3-169.3-114.4000112F191 I194 A252 R255 L256 M259 A294 C295 R296 E300 S301 L302F191-F298 HydrophobicContact CB-CE2 3.55Å; F191-F298 HydrophobicContact CB-CZ 3.87Å; F191-F298 HydrophobicContact CD2-CZ 4.16Å; F191-F298 HydrophobicContact CG-CE2 4.19Å; F191-F298 AromaticContact CG-CZ 3.97Å; F191-F298 HydrophobicContact CG-CZ 3.97Å; I194-F298 HydrophobicContact CD1-CE2 4.19Å; A252-F298 HydrophobicContact CB-CZ 4.12Å; A252-F298 WeakPolarHBondContact O-CE1 3.45Å; R255-F298 HydrophobicContact CB-CE1 4.14Å; R255-F298 HydrophobicContact CB-CZ 4.32Å; R255-F298 HydrophobicContact CG-CE1 3.97Å; R255-F298 HydrophobicContact CG-CZ 4.12Å; L256-F298 HydrophobicContact CB-CD1 3.94Å; L256-F298 HydrophobicContact CB-CE1 3.87Å; L256-F298 HydrophobicContact CD1-CD1 4.03Å; M259-F298 HydrophobicContact CE-CB 4.49Å; M259-F298 HydrophobicContact SD-CD1 4Å; M259-F298 HydrophobicContact SD-CG 4.3Å; A294-F298 WeakPolarHBondContact O-CB 3.22Å; A294-F298 PolarHBondContact O-N 2.92Å; C295-F298 PolarHBondContact O-N 3.42Å; R296-F298 VanDerWaalsContact C-N 3.27Å; R296-F298 PolarHBondContact O-N 3.36Å; F298-E300 PolarHBondContact O-N 2.88Å; F298-S301 PolarHBondContact O-N 3.27Å; F298-L302 WeakPolarHBondContact O-CB 3.43Å; F298-L302 PolarHBondContact O-N 3.33Å
299H95Very high93.3Very high22 Ų2248.9 Ų48.910%0.10225%0.248CC..Hα-helixtrans-58-45.1173.7177.2-73.3000112.1L256 C295 R296 S301 L302 S303 L315 F317L256-H299 HydrophobicContact CD1-CB 4.12Å; L256-H299 HydrophobicContact CD2-CB 4.36Å; C295-H299 WeakPolarHBondContact O-CB 3.35Å; C295-H299 PolarHBondContact O-N 3.41Å; R296-H299 PolarHBondContact O-N 3.13Å; H299-S301 PolarHBondContact O-N 3.02Å; H299-L302 PolarHBondContact O-N 2.9Å; H299-S303 PolarHBondContact CE1-OG 2.9Å; H299-S303 PolarHBondContact ND1-OG 3.33Å; H299-S303 WeakPolarHBondContact O-CB 3.23Å; H299-S303 PolarHBondContact O-N 2.82Å; H299-S303 PolarHBondContact O-OG 3.38Å; H299-L315 PolarHBondContact NE2-O 3.48Å; H299-F317 HydrophobicContact CB-CD2 4.06Å
300E94.5Very high93.4Very high122 Ų12246.4 Ų46.457%0.5724%0.238SC*.Hα-helixtrans-61.7-43.5176.3-73.3172.3-172.500112.1R296 F298 S303 T304R296-E300 WeakPolarHBondContact O-CG 3.32Å; R296-E300 PolarHBondContact O-N 3.43Å; F298-E300 PolarHBondContact O-N 2.88Å; E300-S303 PolarHBondContact O-N 2.73Å; E300-T304 PolarHBondContact O-N 3.37Å; E300-T304 PolarHBondContact O-OG1 3.29Å
301S93.2Very high93.3Very high47 Ų4740.4 Ų40.433%0.32921%0.213SC..Hα-helixtrans-64.2-42.4177.9-60.60000111.6K297 F298 H299 T304 L305K297-S301 WeakPolarHBondContact O-CB 3.37Å; K297-S301 PolarHBondContact O-N 3.42Å; K297-S301 VanDerWaalsContact O-N 3.15Å; K297-S301 PolarHBondContact O-OG 2.73Å; F298-S301 PolarHBondContact O-N 3.27Å; H299-S301 PolarHBondContact O-N 3.02Å; S301-T304 WeakPolarHBondContact O-CB 3.44Å; S301-T304 PolarHBondContact O-N 3.02Å; S301-L305 PolarHBondContact O-N 3.46Å; S301-L305 VanDerWaalsContact O-N 3.09Å
302L94.7Very high93.2Very high1 Ų144.2 Ų44.21%0.00523%0.233CC..Hα-helixtrans-70.1-40.3178.3-174.459.7000112.2I194 L249 A252 M253 L256 F298 H299 T304 L305 A306I194-L302 HydrophobicContact CD1-CB 4.47Å; I194-L302 HydrophobicContact CD1-CD1 4.39Å; L249-L302 HydrophobicContact CG-CD1 4.29Å; A252-L302 HydrophobicContact CB-CD1 3.62Å; M253-L302 HydrophobicContact CB-CD2 4.44Å; M253-L302 HydrophobicContact CG-CD2 3.88Å; L256-L302 HydrophobicContact CB-CD2 4.13Å; L256-L302 HydrophobicContact CD2-CD2 3.84Å; F298-L302 WeakPolarHBondContact O-CB 3.43Å; F298-L302 PolarHBondContact O-N 3.33Å; H299-L302 PolarHBondContact O-N 2.9Å; L302-T304 VanDerWaalsContact C-N 3.27Å; L302-T304 PolarHBondContact O-N 3.44Å; L302-L305 PolarHBondContact O-N 2.86Å; L302-L305 VanDerWaalsContact O-N 3.15Å; L302-A306 WeakPolarHBondContact O-CB 3.22Å; L302-A306 PolarHBondContact O-N 2.83Å
303S94.9Very high92.9Very high30 Ų3045.9 Ų45.921%0.2125%0.247CC..Hα-helixtrans-59.8-40.7174.2-620000111.4H299 E300 A306 D307 P314H299-S303 PolarHBondContact CE1-OG 2.9Å; H299-S303 PolarHBondContact ND1-OG 3.33Å; H299-S303 WeakPolarHBondContact O-CB 3.23Å; H299-S303 PolarHBondContact O-N 2.82Å; H299-S303 PolarHBondContact O-OG 3.38Å; E300-S303 PolarHBondContact O-N 2.73Å; S303-A306 PolarHBondContact O-N 3.29Å; S303-D307 PolarHBondContact O-N 3.38Å; S303-P314 WeakPolarHBondContact OG-CD 3.41Å; S303-P314 WeakPolarHBondContact OG-CG 3.44Å
304T94.5Very high92.7Very high58 Ų5844.3 Ų44.336%0.35624%0.236SC..Hα-helixtrans-63-44.2174.5-56.80000111.3E300 S301 L302 L308E300-T304 PolarHBondContact O-N 3.37Å; E300-T304 PolarHBondContact O-OG1 3.29Å; S301-T304 WeakPolarHBondContact O-CB 3.44Å; S301-T304 PolarHBondContact O-N 3.02Å; L302-T304 VanDerWaalsContact C-N 3.27Å; L302-T304 PolarHBondContact O-N 3.44Å; T304-L308 HydrophobicContact CG2-CD1 4.3Å; T304-L308 VanDerWaalsContact O-CG 3.26Å; T304-L308 WeakPolarHBondContact O-CG 3.19Å; T304-L308 PolarHBondContact O-N 3.48Å; T304-L308 VanDerWaalsContact O-N 3.17Å
305L94.1Very high92.4Very high0 Ų048.8 Ų48.80%025%0.254CS..Hα-helixtrans-66.4-40.4177.9-176.761.8000112I194 Y248 L249 S301 L302 L308 L309I194-L305 HydrophobicContact CD1-CD2 4.34Å; I194-L305 HydrophobicContact CG1-CD2 4.04Å; Y248-L305 HydrophobicContact CD1-CD2 3.97Å; Y248-L305 HydrophobicContact CE1-CD2 4.13Å; L249-L305 HydrophobicContact CD1-CG 4.32Å; S301-L305 PolarHBondContact O-N 3.46Å; S301-L305 VanDerWaalsContact O-N 3.09Å; L302-L305 PolarHBondContact O-N 2.86Å; L302-L305 VanDerWaalsContact O-N 3.15Å; L305-L308 PolarHBondContact O-N 2.84Å; L305-L309 HydrophobicContact CD1-CD1 3.87Å; L305-L309 HydrophobicContact CD1-CG 4.17Å; L305-L309 HydrophobicContact CG-CD1 3.89Å; L305-L309 WeakPolarHBondContact O-CG 3.42Å; L305-L309 PolarHBondContact O-N 3.01Å; L305-L309 VanDerWaalsContact O-N 3.09Å
306A94.8Very high92Very high2 Ų253.7 Ų53.72%0.01728%0.28CS..Hα-helixtrans-61.4-44.5177.300000112L249 L302 S303 L308 L309 D310 A311L249-A306 HydrophobicContact CD1-CB 3.9Å; L302-A306 WeakPolarHBondContact O-CB 3.22Å; L302-A306 PolarHBondContact O-N 2.83Å; S303-A306 PolarHBondContact O-N 3.29Å; A306-L308 PolarHBondContact O-N 3.05Å; A306-L309 PolarHBondContact O-N 3.49Å; A306-D310 PolarHBondContact O-N 2.94Å; A306-D310 VanDerWaalsContact O-N 3.15Å; A306-A311 HydrophobicContact CB-CB 4.3Å; A306-A311 PolarHBondContact O-N 3.49Å
307D94.6Very high91.6Very high53 Ų5348.4 Ų48.428%0.28326%0.261SS..Hα-helixtrans-58.5-47.6173.8-18068000111.2P213 R214 R215 S303 L309 D310P213-D307 CarbonylContact C-O 3.58Å; P213-D307 WeakPolarHBondContact CA-O 3.2Å; R214-D307 WeakPolarHBondContact CB-OD1 3.22Å; R214-D307 PolarHBondContact N-O 2.95Å; R214-D307 PolarHBondContact N-OD1 3.07Å; R215-D307 WeakPolarHBondContact CB-OD1 3.17Å; R215-D307 PolarHBondContact N-OD1 3.36Å; S303-D307 PolarHBondContact O-N 3.38Å; D307-L309 PolarHBondContact O-N 3.28Å; D307-D310 PolarHBondContact O-N 3.13Å
308L93.8Very high91.1Very high8 Ų845.7 Ų45.74%0.04226%0.258CS..Hα-helixtrans-63.6-25.3-179.2-69.6173.5000114.4S198 C201 R202 S205 P213 T304 L305 A306S198-L308 VanDerWaalsContact O-CD1 3.22Å; S198-L308 WeakPolarHBondContact O-CD1 3.33Å; C201-L308 HydrophobicContact CB-CB 4.09Å; C201-L308 HydrophobicContact CB-CD1 4.17Å; R202-L308 HydrophobicContact CB-CD1 4.11Å; R202-L308 HydrophobicContact CB-CD2 4Å; R202-L308 HydrophobicContact CG-CD2 4.24Å; S205-L308 PolarHBondContact OG-O 3.45Å; S205-L308 VanDerWaalsContact OG-O 3.12Å; P213-L308 HydrophobicContact CB-CD2 4.37Å; P213-L308 HydrophobicContact CG-CD2 3.94Å; T304-L308 HydrophobicContact CG2-CD1 4.3Å; T304-L308 VanDerWaalsContact O-CG 3.26Å; T304-L308 WeakPolarHBondContact O-CG 3.19Å; T304-L308 PolarHBondContact O-N 3.48Å; T304-L308 VanDerWaalsContact O-N 3.17Å; L305-L308 PolarHBondContact O-N 2.84Å; A306-L308 PolarHBondContact O-N 3.05Å
309L92.1Very high90.4Very high6 Ų647.3 Ų47.33%0.03127%0.272CS..THydrogen-bonded Turntrans-100.74.3-179.2-65.5176.6000113.7V209 F245 L249 L305 A306 D307 A311V209-L309 HydrophobicContact CG1-CD2 4.06Å; F245-L309 HydrophobicContact CB-CD1 3.79Å; F245-L309 HydrophobicContact CB-CD2 3.7Å; F245-L309 HydrophobicContact CB-CG 4.43Å; F245-L309 HydrophobicContact CG-CD2 4.2Å; L249-L309 HydrophobicContact CB-CD1 4.25Å; L249-L309 HydrophobicContact CD1-CD1 3.92Å; L305-L309 HydrophobicContact CD1-CD1 3.87Å; L305-L309 HydrophobicContact CD1-CG 4.17Å; L305-L309 HydrophobicContact CG-CD1 3.89Å; L305-L309 WeakPolarHBondContact O-CG 3.42Å; L305-L309 PolarHBondContact O-N 3.01Å; L305-L309 VanDerWaalsContact O-N 3.09Å; A306-L309 PolarHBondContact O-N 3.49Å; D307-L309 PolarHBondContact O-N 3.28Å; L309-A311 PolarHBondContact O-N 3.44Å
310D91.5Very high89.8Confident50 Ų5048 Ų4827%0.26728%0.276SS..THydrogen-bonded Turntrans55.234.2-174-16528.4000113.9V211 R214 R217 A306 D307V211-D310 HydrophobicContact CG1-CB 3.32Å; R214-D310 WeakPolarHBondContact CB-OD1 3.45Å; R214-D310 WeakPolarHBondContact CG-OD1 3.48Å; R217-D310 WeakPolarHBondContact CD-OD2 3.38Å; R217-D310 IonicContact CZ-OD1 3.45Å; R217-D310 IonicContact CZ-OD2 3.96Å; R217-D310 VanDerWaalsContact NE-CG 3.26Å; R217-D310 IonicContact NE-OD1 3.18Å; R217-D310 PolarHBondContact NE-OD1 2.85Å; R217-D310 IonicContact NE-OD2 3.86Å; R217-D310 PolarHBondContact NE-OD2 3.26Å; R217-D310 IonicContact NH2-OD1 3.08Å; R217-D310 PolarHBondContact NH2-OD1 3.32Å; R217-D310 IonicContact NH2-OD2 3.85Å; A306-D310 PolarHBondContact O-N 2.94Å; A306-D310 VanDerWaalsContact O-N 3.15Å; D307-D310 PolarHBondContact O-N 3.13Å
311A90.4Very high89Confident16 Ų1643.6 Ų43.613%0.13226%0.256CS..PPolyproline II helixtrans-91.6162172.500000110.6R214 L249 A306 L309R214-A311 WeakPolarHBondContact CD-O 3.38Å; L249-A311 HydrophobicContact CD1-CB 4.08Å; L249-A311 HydrophobicContact CD2-CB 4.29Å; A306-A311 HydrophobicContact CB-CB 4.3Å; A306-A311 PolarHBondContact O-N 3.49Å; L309-A311 PolarHBondContact O-N 3.44Å
312D87.8Confident88Confident109 Ų10948.3 Ų48.358%0.58327%0.271SS*.PPolyproline II helixtrans-66.4131.3171.9-67.5-40.8000109.6R214R214-D312 IonicContact CZ-OD1 3.6Å; R214-D312 IonicContact NH1-OD1 3.43Å; R214-D312 PolarHBondContact NH1-OD1 3.35Å; R214-D312 IonicContact NH2-OD1 3.67Å; R214-D312 PolarHBondContact NH2-OD1 3.46Å
313P86.1Confident86.1Confident74 Ų7451.2 Ų51.248%0.48129%0.286SS..PPolyproline II helixtrans-64.2153.8177.528.6-34.5000110.1
314P87Confident83.7Confident17 Ų1758.2 Ų58.211%0.1132%0.316CS..PPolyproline II helixtrans-58.6153.6169.927.7-33.9000110.3L256 S303L256-P314 HydrophobicContact CD2-CB 4.06Å; S303-P314 WeakPolarHBondContact OG-CD 3.41Å; S303-P314 WeakPolarHBondContact OG-CG 3.44Å
315L87.3Confident81.2Confident128 Ų12860 Ų6067%0.6733%0.33SS*.PPolyproline II helixtrans-55.2157175.1-66.8174.4000111H299 F317 M320H299-L315 PolarHBondContact NE2-O 3.48Å; L315-F317 PolarHBondContact O-N 3.24Å; L315-M320 HydrophobicContact CB-CG 3.96Å; L315-M320 HydrophobicContact CB-SD 4.33Å
316D85Confident78.3Confident102 Ų10266.1 Ų66.155%0.54537%0.368SS..PPolyproline II helixtrans-55133.4179.3177.964.3000111S318 S319 M320D316-S318 PolarHBondContact O-N 2.87Å; D316-S318 VanDerWaalsContact OD2-CB 3.25Å; D316-S318 WeakPolarHBondContact OD2-CB 3.43Å; D316-S318 PolarHBondContact OD2-N 3.08Å; D316-S318 VanDerWaalsContact OD2-N 3.13Å; D316-S319 WeakPolarHBondContact O-CA 3.32Å; D316-S319 WeakPolarHBondContact O-CB 3.45Å; D316-S319 PolarHBondContact O-N 2.89Å; D316-S319 PolarHBondContact O-OG 3.48Å; D316-S319 PolarHBondContact OD2-N 3.31Å; D316-M320 PolarHBondContact O-N 3.48Å; D316-M320 VanDerWaalsContact O-N 3.16Å
317F84.7Confident75.1Confident21 Ų2170.5 Ų70.59%0.09240%0.399CS..Hα-helixtrans-57-39.6-173.5-179.4-91.9000112C295 R296 H299 L315 S319 M320 I321C295-F317 HydrophobicContact CB-CE2 3.75Å; C295-F317 HydrophobicContact CB-CZ 4.13Å; R296-F317 HydrophobicContact CB-CE2 4.39Å; R296-F317 HydrophobicContact CB-CZ 4.4Å; R296-F317 HydrophobicContact CG-CD1 3.74Å; R296-F317 HydrophobicContact CG-CD2 4.05Å; R296-F317 HydrophobicContact CG-CE1 3.33Å; R296-F317 HydrophobicContact CG-CE2 3.67Å; R296-F317 HydrophobicContact CG-CG 4.09Å; R296-F317 HydrophobicContact CG-CZ 3.29Å; R296-F317 VanDerWaalsContact NE-CE1 3.27Å; H299-F317 HydrophobicContact CB-CD2 4.06Å; L315-F317 PolarHBondContact O-N 3.24Å; F317-S319 VanDerWaalsContact C-N 3.28Å; F317-S319 PolarHBondContact O-N 2.85Å; F317-M320 PolarHBondContact O-N 2.97Å; F317-I321 HydrophobicContact CD1-CG1 4.19Å; F317-I321 HydrophobicContact CE1-CD1 4.34Å; F317-I321 HydrophobicContact CE1-CG1 3.59Å; F317-I321 HydrophobicContact CE2-CD1 4.24Å; F317-I321 HydrophobicContact CE2-CG1 4.1Å; F317-I321 HydrophobicContact CZ-CD1 3.8Å; F317-I321 HydrophobicContact CZ-CG1 3.53Å; F317-I321 WeakPolarHBondContact O-CG1 2.97Å; F317-I321 PolarHBondContact O-N 3.27Å
318S81.7Confident71.8Confident71 Ų7175 Ų7550%0.49742%0.423SS..Hα-helixtrans-67.5-29.6178.8-59.90000112.1D316 K322D316-S318 PolarHBondContact O-N 2.87Å; D316-S318 VanDerWaalsContact OD2-CB 3.25Å; D316-S318 WeakPolarHBondContact OD2-CB 3.43Å; D316-S318 PolarHBondContact OD2-N 3.08Å; D316-S318 VanDerWaalsContact OD2-N 3.13Å; S318-K322 VanDerWaalsContact O-CG 3.3Å; S318-K322 WeakPolarHBondContact O-CG 3.08Å
319S80.1Confident68.4Low57 Ų5780.6 Ų80.640%0.39946%0.462SS..Hα-helixtrans-72.3-33.9173.872.70000112.9D316 F317D316-S319 WeakPolarHBondContact O-CA 3.32Å; D316-S319 WeakPolarHBondContact O-CB 3.45Å; D316-S319 PolarHBondContact O-N 2.89Å; D316-S319 PolarHBondContact O-OG 3.48Å; D316-S319 PolarHBondContact OD2-N 3.31Å; F317-S319 VanDerWaalsContact C-N 3.28Å; F317-S319 PolarHBondContact O-N 2.85Å
320M82.8Confident65.3Low35 Ų3587.4 Ų87.417%0.17250%0.497CS..Hα-helixtrans-73.8-30.6-178.8-64.1-175.878.600113.2L256 V260 Q264 L315 D316 F317L256-M320 HydrophobicContact CD2-CE 4.24Å; L256-M320 HydrophobicContact CD2-SD 4.34Å; L256-M320 HydrophobicContact CG-CE 4.28Å; V260-M320 HydrophobicContact CG1-CB 4.19Å; V260-M320 WeakPolarHBondContact CG1-O 3.5Å; V260-M320 HydrophobicContact CG2-CB 4.33Å; V260-M320 HydrophobicContact CG2-CE 4.06Å; Q264-M320 PolarHBondContact NE2-O 3.33Å; L315-M320 HydrophobicContact CB-CG 3.96Å; L315-M320 HydrophobicContact CB-SD 4.33Å; D316-M320 PolarHBondContact O-N 3.48Å; D316-M320 VanDerWaalsContact O-N 3.16Å; F317-M320 PolarHBondContact O-N 2.97Å
321I78.4Confident62.3Low30 Ų3089.1 Ų89.115%0.15452%0.518CS..Hα-helixtrans-85.6-21.3-178.1-63-67.9000112.2V260 T263 I267 F317 D323V260-I321 HydrophobicContact CG1-CD1 4.31Å; V260-I321 HydrophobicContact CG2-CD1 4.37Å; T263-I321 HydrophobicContact CG2-CD1 3.98Å; I267-I321 HydrophobicContact CD1-CG2 4.23Å; F317-I321 HydrophobicContact CD1-CG1 4.19Å; F317-I321 HydrophobicContact CE1-CD1 4.34Å; F317-I321 HydrophobicContact CE1-CG1 3.59Å; F317-I321 HydrophobicContact CE2-CD1 4.24Å; F317-I321 HydrophobicContact CE2-CG1 4.1Å; F317-I321 HydrophobicContact CZ-CD1 3.8Å; F317-I321 HydrophobicContact CZ-CG1 3.53Å; F317-I321 WeakPolarHBondContact O-CG1 2.97Å; F317-I321 PolarHBondContact O-N 3.27Å; I321-D323 PolarHBondContact O-N 3.28Å
322K71.3Confident59.3Low147 Ų14794.5 Ų94.564%0.63955%0.552SS**SBendtrans-61.5130.1176.9-80172.3-176.3-1740110Q264 S318 E324Q264-K322 PolarHBondContact NE2-O 2.86Å; S318-K322 VanDerWaalsContact O-CG 3.3Å; S318-K322 WeakPolarHBondContact O-CG 3.08Å; K322-E324 PolarHBondContact O-N 3.03Å
323D56.2Low56.1Low62 Ų6296.4 Ų96.433%0.33256%0.562SS.*  trans-69.7118.6178.3-75.9-32.3000109.9I321 S325I321-D323 PolarHBondContact O-N 3.28Å; D323-S325 PolarHBondContact O-N 2.92Å
324E44.2Very low53.3Low177 Ų17797.6 Ų97.683%0.82757%0.572SS**  trans-77.94.5169.6-73.9-158155.500112.8K322 T326K322-E324 PolarHBondContact O-N 3.03Å; E324-T326 PolarHBondContact O-N 3.17Å
325S41.6Very low50.5Low94 Ų94102.6 Ų102.666%0.65760%0.602SS**THydrogen-bonded Turntrans-71.136.1177.555.50000113.9D323 S327D323-S325 PolarHBondContact O-N 2.92Å; S325-S327 VanDerWaalsContact C-N 3.26Å
326T33.6Very low47.7Very low129 Ų129105 Ų10579%0.79161%0.61SS**THydrogen-bonded Turntrans-81-2.5160.155.90000112.7E324E324-T326 PolarHBondContact O-N 3.17Å
327S26.7Very low45Very low95 Ų95110 Ų11066%0.66463%0.627SS**SBendtrans-149.442.7-167.2-168.50000117S325S325-S327 VanDerWaalsContact C-N 3.26Å
328D25Very low42.5Very low147 Ų147115.1 Ų115.179%0.78666%0.659SS**  trans-132.4114.2163.5-106.4-21.9000113.2
329S23.3Very low40.2Very low126 Ų126116.5 Ų116.588%0.88167%0.665SS**  trans-87.8106.9172.4-60.60000108
330I27.6Very low37.8Very low149 Ų149122.9 Ų122.976%0.76469%0.688SS**  trans-119.9128.1171.5-58.9178.1000108.4
331A27.2Very low35.8Very low86 Ų86127.6 Ų127.671%0.71171%0.709SS**  trans-68144.6-176.900000111.9
332P27Very low34.1Very low129 Ų129133.5 Ų133.584%0.83874%0.737SS**  trans-81.9128.2-174.231.8-31.4000111
333D21.8Very low33.1Very low149 Ų149130.7 Ų130.780%0.79773%0.731SS**  trans-120.2122.7173.1-153.37000110.5
334S26.3Very low33.4Very low99 Ų99131.5 Ų131.569%0.69274%0.736SS**  trans61.180.4154.859.20000121.2
335V28.4Very low34.9Very low122 Ų122124.2 Ų124.274%0.73970%0.702SS**  trans-151.6132.9145.9-150.30000113
336E30.1Very low36.8Very low177 Ų177120.6 Ų120.683%0.82768%0.675SS**  trans36.7122.3163.9-73.3179.6165.400121.5V338E336-V338 PolarHBondContact O-N 3.01Å
337K27.3Very low38.7Very low208 Ų208119.5 Ų119.590%0.90466%0.661SS**  trans-65.667.3175.1-62.2174.1178.4175.70112.4V339K337-V339 PolarHBondContact O-N 2.76Å
338V32.3Very low41Very low128 Ų128118.3 Ų118.378%0.77665%0.647SS**  trans-77.7106.6143.4-174.70000104E336 H340E336-V338 PolarHBondContact O-N 3.01Å; V338-H340 PolarHBondContact O-N 3.36Å
339V32.8Very low43.5Very low101 Ų101115.8 Ų115.861%0.61263%0.63SS**  trans-38.9132.1179.6-177.40000108.8K337 E341K337-V339 PolarHBondContact O-N 2.76Å; V339-E341 HydrophobicContact CG1-CG 4.25Å; V339-E341 PolarHBondContact O-N 2.86Å
340H30.4Very low46.2Very low191 Ų191115.6 Ų115.688%0.88462%0.62SS**  trans-62.556.2170.6-76.519.4000111V338 E342V338-H340 PolarHBondContact O-N 3.36Å; H340-E342 PolarHBondContact O-N 3.41Å
341E40.1Very low49Very low133 Ų133110.9 Ų110.962%0.62160%0.598SS**  trans-67.1122.4150.8-67.4-173.8161.700104.3V339 V343V339-E341 HydrophobicContact CG1-CG 4.25Å; V339-E341 PolarHBondContact O-N 2.86Å; E341-V343 PolarHBondContact O-N 3.03Å
342E43Very low51.8Low155 Ų155110.7 Ų110.772%0.72458%0.579SS**  trans-41.1112.6157.7-68.8176.2155.400105.8H340 N344H340-E342 PolarHBondContact O-N 3.41Å; E342-N344 PolarHBondContact O-N 2.97Å
343V51.6Low54.7Low87 Ų87107.9 Ų107.953%0.52756%0.556SS.*  trans-64.191.4-176.4177.20000105.3E341 L345 R601E341-V343 PolarHBondContact O-N 3.03Å; V343-L345 HydrophobicContact CG1-CD2 4.24Å; V343-L345 HydrophobicContact CG1-CG 4.38Å; V343-L345 PolarHBondContact O-N 3.18Å; V343-R601 HydrophobicContact CG1-CB 4.42Å; V343-R601 WeakPolarHBondContact CG1-O 3.27Å
344N61.7Low58Low79 Ų79102.5 Ų102.542%0.42253%0.526SS..  trans-70.688.5178.6-83.5-23.1000105.3E342 F346 R601E342-N344 PolarHBondContact O-N 2.97Å; N344-F346 CarbonylContact C-O 3.47Å; N344-F346 PolarHBondContact O-N 2.81Å; N344-R601 WeakPolarHBondContact O-CD 3.48Å; N344-R601 PolarHBondContact O-NH1 2.93Å
345L75.2Confident61.2Low25 Ų2598.9 Ų98.913%0.13150%0.497CS..  trans-56.1-34178-71.6161.8000109.7V343 F598 R601 L602V343-L345 HydrophobicContact CG1-CD2 4.24Å; V343-L345 HydrophobicContact CG1-CG 4.38Å; V343-L345 PolarHBondContact O-N 3.18Å; L345-F598 HydrophobicContact CB-CD2 4.19Å; L345-F598 HydrophobicContact CB-CE2 4.27Å; L345-F598 HydrophobicContact CD1-CE2 4.22Å; L345-F598 HydrophobicContact CD2-CD2 4.42Å; L345-F598 HydrophobicContact CD2-CE2 4.36Å; L345-R601 HydrophobicContact CD2-CB 4.09Å; L345-R601 WeakPolarHBondContact O-CD 3.46Å; L345-R601 PolarHBondContact O-NH1 3.36Å; L345-R601 VanDerWaalsContact O-NH1 3.16Å; L345-L602 HydrophobicContact CD2-CB 4.11Å; L345-L602 HydrophobicContact CD2-CD1 4.03Å
346F82.3Confident64Low17 Ų1798 Ų988%0.07549%0.485CS..SBendtrans-102163.2179.3-57-77.2000112.5N344 T351 R352 Y355 E356 F598 R601N344-F346 CarbonylContact C-O 3.47Å; N344-F346 PolarHBondContact O-N 2.81Å; F346-T351 HydrophobicContact CB-CG2 4.39Å; F346-T351 HydrophobicContact CD1-CG2 3.85Å; F346-T351 HydrophobicContact CG-CG2 4.44Å; F346-R352 HydrophobicContact CB-CB 4.01Å; F346-R352 HydrophobicContact CD2-CB 3.97Å; F346-R352 HydrophobicContact CD2-CG 3.92Å; F346-R352 HydrophobicContact CG-CB 4.23Å; F346-Y355 AromaticContact CD1-CD2 3.89Å; F346-Y355 HydrophobicContact CD1-CD2 3.89Å; F346-Y355 HydrophobicContact CD1-CE2 4.45Å; F346-Y355 AromaticContact CE1-CD2 3.34Å; F346-Y355 HydrophobicContact CE1-CD2 3.34Å; F346-Y355 HydrophobicContact CE1-CE2 4.05Å; F346-Y355 AromaticContact CE1-CG 3.68Å; F346-Y355 HydrophobicContact CE1-CG 3.68Å; F346-Y355 AromaticContact CZ-CD2 3.92Å; F346-Y355 HydrophobicContact CZ-CD2 3.92Å; F346-Y355 AromaticContact CZ-CG 3.82Å; F346-Y355 HydrophobicContact CZ-CG 3.82Å; F346-E356 HydrophobicContact CE2-CG 4.08Å; F346-F598 HydrophobicContact CE1-CD2 4.16Å; F346-F598 HydrophobicContact CE2-CE2 4.4Å; F346-F598 AromaticContact CZ-CD2 3.95Å; F346-F598 HydrophobicContact CZ-CD2 3.95Å; F346-F598 AromaticContact CZ-CE2 3.88Å; F346-F598 HydrophobicContact CZ-CE2 3.88Å; F346-R601 PolarHBondContact O-NH1 3.42Å; F346-R601 VanDerWaalsContact O-NH1 3.07Å
347E72.1Confident66.7Low107 Ų10792.4 Ų92.450%0.547%0.465SS..SBendtrans-81.3-36.4-173-49.4-172.3179.300112.2R597E347-R597 WeakPolarHBondContact OE1-CD 3.47Å; E347-R597 IonicContact OE1-CZ 3.79Å; E347-R597 IonicContact OE1-NE 3.05Å; E347-R597 IonicContact OE1-NH1 2.75Å; E347-R597 PolarHBondContact OE1-NH1 3.03Å; E347-R597 IonicContact OE2-NH1 2.84Å; E347-R597 PolarHBondContact OE2-NH1 3.45Å
348D76.5Confident69.7Low70 Ų7085.3 Ų85.337%0.37444%0.437SS..SBendtrans-143.7161.2-173.265.4-48.1000110.6D350 T351 R352D348-D350 VanDerWaalsContact C-N 3.34Å; D348-D350 PolarHBondContact O-N 3.33Å; D348-T351 PolarHBondContact O-N 3.49Å; D348-T351 WeakPolarHBondContact OD1-CB 3.35Å; D348-T351 PolarHBondContact OD1-OG1 2.7Å; D348-T351 PolarHBondContact OD2-N 3.24Å; D348-T351 PolarHBondContact OD2-OG1 3.08Å; D348-R352 PolarHBondContact O-N 3.34Å; D348-R352 VanDerWaalsContact O-N 3.09Å
349E76.3Confident72.3Confident93 Ų9380.1 Ų80.144%0.43541%0.406SS..Hα-helixtrans-65.3-35.5-177.3-72.9-60.3139.300112.9R352 L353E349-R352 VanDerWaalsContact CD-NH2 3.27Å; E349-R352 PolarHBondContact O-N 3.44Å; E349-R352 IonicContact OE1-CZ 3.04Å; E349-R352 IonicContact OE1-NE 3.14Å; E349-R352 IonicContact OE1-NH2 2.72Å; E349-R352 PolarHBondContact OE1-NH2 2.87Å; E349-R352 VanDerWaalsContact OE1-NH2 3.15Å; E349-R352 IonicContact OE2-CZ 2.78Å; E349-R352 VanDerWaalsContact OE2-CZ 3.22Å; E349-R352 IonicContact OE2-NE 2.76Å; E349-R352 PolarHBondContact OE2-NE 3.17Å; E349-R352 VanDerWaalsContact OE2-NE 3.08Å; E349-R352 IonicContact OE2-NH2 3.65Å; E349-R352 PolarHBondContact OE2-NH2 3.41Å; E349-L353 WeakPolarHBondContact O-CB 3.42Å; E349-L353 WeakPolarHBondContact O-CG 3.3Å; E349-L353 PolarHBondContact O-N 3.09Å
350D80.6Confident74.8Confident123 Ų12380 Ų8066%0.65840%0.402SS*.Hα-helixtrans-67-43.3-179.1-70.6-21.3000111.1D348 L353 F354D348-D350 VanDerWaalsContact C-N 3.34Å; D348-D350 PolarHBondContact O-N 3.33Å; D350-L353 PolarHBondContact O-N 3.02Å; D350-F354 PolarHBondContact O-N 2.93Å
351T86.7Confident77.5Confident50 Ų5071.1 Ų71.131%0.30736%0.361SS..Hα-helixtrans-63.1-43.8172.9-58.20000111.4F346 D348 L353 F354 Y355F346-T351 HydrophobicContact CB-CG2 4.39Å; F346-T351 HydrophobicContact CD1-CG2 3.85Å; F346-T351 HydrophobicContact CG-CG2 4.44Å; D348-T351 PolarHBondContact O-N 3.49Å; D348-T351 WeakPolarHBondContact OD1-CB 3.35Å; D348-T351 PolarHBondContact OD1-OG1 2.7Å; D348-T351 PolarHBondContact OD2-N 3.24Å; D348-T351 PolarHBondContact OD2-OG1 3.08Å; T351-L353 VanDerWaalsContact C-N 3.35Å; T351-L353 PolarHBondContact O-N 3.45Å; T351-F354 WeakPolarHBondContact O-CB 3.35Å; T351-F354 PolarHBondContact O-N 3.18Å; T351-F354 VanDerWaalsContact O-N 3.1Å; T351-Y355 HydrophobicContact CG2-CD2 3.96Å; T351-Y355 HydrophobicContact CG2-CE2 3.7Å; T351-Y355 VanDerWaalsContact O-CD2 3.27Å; T351-Y355 WeakPolarHBondContact O-CD2 3.45Å; T351-Y355 PolarHBondContact O-N 2.96Å
352R86.1Confident79.7Confident81 Ų8168.7 Ų68.731%0.30635%0.348SS..Hα-helixtrans-57.5-47.9176.1-176171.872.6154.1-0.2111.6F346 D348 E349 F354 Y355 E356F346-R352 HydrophobicContact CB-CB 4.01Å; F346-R352 HydrophobicContact CD2-CB 3.97Å; F346-R352 HydrophobicContact CD2-CG 3.92Å; F346-R352 HydrophobicContact CG-CB 4.23Å; D348-R352 PolarHBondContact O-N 3.34Å; D348-R352 VanDerWaalsContact O-N 3.09Å; E349-R352 VanDerWaalsContact CD-NH2 3.27Å; E349-R352 PolarHBondContact O-N 3.44Å; E349-R352 IonicContact OE1-CZ 3.04Å; E349-R352 IonicContact OE1-NE 3.14Å; E349-R352 IonicContact OE1-NH2 2.72Å; E349-R352 PolarHBondContact OE1-NH2 2.87Å; E349-R352 VanDerWaalsContact OE1-NH2 3.15Å; E349-R352 IonicContact OE2-CZ 2.78Å; E349-R352 VanDerWaalsContact OE2-CZ 3.22Å; E349-R352 IonicContact OE2-NE 2.76Å; E349-R352 PolarHBondContact OE2-NE 3.17Å; E349-R352 VanDerWaalsContact OE2-NE 3.08Å; E349-R352 IonicContact OE2-NH2 3.65Å; E349-R352 PolarHBondContact OE2-NH2 3.41Å; R352-F354 PolarHBondContact O-N 3.19Å; R352-Y355 PolarHBondContact O-N 3.2Å; R352-Y355 VanDerWaalsContact O-N 3.14Å; R352-E356 WeakPolarHBondContact CD-OE2 3.41Å; R352-E356 HydrophobicContact CG-CG 4.26Å; R352-E356 VanDerWaalsContact CG-OE2 3.27Å; R352-E356 WeakPolarHBondContact CG-OE2 3.44Å; R352-E356 WeakPolarHBondContact O-CB 3.48Å; R352-E356 PolarHBondContact O-N 2.91Å
353L86.8Confident81.7Confident71 Ų7165 Ų6537%0.37234%0.344SS..Hα-helixtrans-59.7-33.2177.2-72.3169.3000111.8E349 D350 T351 S357E349-L353 WeakPolarHBondContact O-CB 3.42Å; E349-L353 WeakPolarHBondContact O-CG 3.3Å; E349-L353 PolarHBondContact O-N 3.09Å; D350-L353 PolarHBondContact O-N 3.02Å; T351-L353 VanDerWaalsContact C-N 3.35Å; T351-L353 PolarHBondContact O-N 3.45Å; L353-S357 WeakPolarHBondContact O-CA 3.32Å; L353-S357 WeakPolarHBondContact O-CB 3.39Å; L353-S357 PolarHBondContact O-N 3.15Å; L353-S357 VanDerWaalsContact O-N 3.08Å
354F92.3Very high83.2Confident35 Ų3566.1 Ų66.115%0.15435%0.345CS..Hα-helixtrans-68.3-35.2175.8-177.9-92.8000113.9D350 T351 R352 P505 F506 R509 F561D350-F354 PolarHBondContact O-N 2.93Å; T351-F354 WeakPolarHBondContact O-CB 3.35Å; T351-F354 PolarHBondContact O-N 3.18Å; T351-F354 VanDerWaalsContact O-N 3.1Å; R352-F354 PolarHBondContact O-N 3.19Å; F354-P505 HydrophobicContact CE1-CB 3.95Å; F354-P505 HydrophobicContact CZ-CB 4.04Å; F354-F506 HydrophobicContact CE2-CD1 4.13Å; F354-F506 HydrophobicContact CE2-CE1 4.03Å; F354-F506 HydrophobicContact CZ-CD1 4.23Å; F354-F506 HydrophobicContact CZ-CE1 4.4Å; F354-R509 HydrophobicContact CZ-CB 4.1Å; F354-R509 PolarHBondContact O-NH1 3.07Å; F354-F561 HydrophobicContact CD1-CZ 4.06Å; F354-F561 HydrophobicContact CE1-CE2 4.19Å; F354-F561 AromaticContact CE1-CZ 3.69Å; F354-F561 HydrophobicContact CE1-CZ 3.69Å; F354-F561 HydrophobicContact CZ-CZ 4.42Å; F354-F561 WeakPolarHBondContact O-CE1 3.48Å
355Y92.1Very high84.3Confident23 Ų2362.6 Ų62.69%0.0933%0.326CS..Hα-helixtrans-91.5-33.6-179.7-68.7-81.7000113.8F346 T351 R352 E557 K560 F561F346-Y355 AromaticContact CD1-CD2 3.89Å; F346-Y355 HydrophobicContact CD1-CD2 3.89Å; F346-Y355 HydrophobicContact CD1-CE2 4.45Å; F346-Y355 AromaticContact CE1-CD2 3.34Å; F346-Y355 HydrophobicContact CE1-CD2 3.34Å; F346-Y355 HydrophobicContact CE1-CE2 4.05Å; F346-Y355 AromaticContact CE1-CG 3.68Å; F346-Y355 HydrophobicContact CE1-CG 3.68Å; F346-Y355 AromaticContact CZ-CD2 3.92Å; F346-Y355 HydrophobicContact CZ-CD2 3.92Å; F346-Y355 AromaticContact CZ-CG 3.82Å; F346-Y355 HydrophobicContact CZ-CG 3.82Å; T351-Y355 HydrophobicContact CG2-CD2 3.96Å; T351-Y355 HydrophobicContact CG2-CE2 3.7Å; T351-Y355 VanDerWaalsContact O-CD2 3.27Å; T351-Y355 WeakPolarHBondContact O-CD2 3.45Å; T351-Y355 PolarHBondContact O-N 2.96Å; R352-Y355 PolarHBondContact O-N 3.2Å; R352-Y355 VanDerWaalsContact O-N 3.14Å; Y355-E557 PolarHBondContact OH-OE2 2.98Å; Y355-K560 HydrophobicContact CD1-CB 3.52Å; Y355-K560 HydrophobicContact CE1-CB 3.52Å; Y355-K560 HydrophobicContact CE1-CD 3.91Å; Y355-K560 HydrophobicContact CE1-CG 4.34Å; Y355-K560 HydrophobicContact CE2-CD 4.29Å; Y355-K560 HydrophobicContact CG-CB 4.23Å; Y355-K560 VanDerWaalsContact OH-CE 3.28Å; Y355-K560 WeakPolarHBondContact OH-CE 3.38Å; Y355-K560 PolarHBondContact OH-NZ 3.42Å; Y355-F561 HydrophobicContact CD1-CD1 4.04Å; Y355-F561 AromaticContact CD1-CD2 3.67Å; Y355-F561 HydrophobicContact CD1-CD2 3.67Å; Y355-F561 AromaticContact CD1-CE1 3.79Å; Y355-F561 HydrophobicContact CD1-CE1 3.79Å; Y355-F561 AromaticContact CD1-CE2 3.38Å; Y355-F561 HydrophobicContact CD1-CE2 3.38Å; Y355-F561 AromaticContact CD1-CG 3.98Å; Y355-F561 HydrophobicContact CD1-CG 3.98Å; Y355-F561 AromaticContact CD1-CZ 3.42Å; Y355-F561 HydrophobicContact CD1-CZ 3.42Å; Y355-F561 VanDerWaalsContact CD1-CZ 3.42Å; Y355-F561 AromaticContact CE1-CD2 3.91Å; Y355-F561 HydrophobicContact CE1-CD2 3.91Å; Y355-F561 AromaticContact CE1-CE2 3.42Å; Y355-F561 HydrophobicContact CE1-CE2 3.42Å; Y355-F561 VanDerWaalsContact CE1-CE2 3.42Å; Y355-F561 AromaticContact CE1-CZ 3.8Å; Y355-F561 HydrophobicContact CE1-CZ 3.8Å; Y355-F561 HydrophobicContact CG-CE1 4.36Å; Y355-F561 HydrophobicContact CG-CZ 4.23Å; Y355-F561 WeakPolarHBondContact O-CD1 3.36Å; Y355-F561 WeakPolarHBondContact O-CE1 3.42Å
356E88.1Confident84.8Confident104 Ų10465 Ų6549%0.48634%0.343SS..Hα-helixtrans-100.3-33.4-173.2-62.9-175.3169.200113.3F346 R352 L358F346-E356 HydrophobicContact CE2-CG 4.08Å; R352-E356 WeakPolarHBondContact CD-OE2 3.41Å; R352-E356 HydrophobicContact CG-CG 4.26Å; R352-E356 VanDerWaalsContact CG-OE2 3.27Å; R352-E356 WeakPolarHBondContact CG-OE2 3.44Å; R352-E356 WeakPolarHBondContact O-CB 3.48Å; R352-E356 PolarHBondContact O-N 2.91Å; E356-L358 PolarHBondContact O-N 3.29Å
357S87.3Confident84.7Confident59 Ų5966.7 Ų66.741%0.41336%0.36SS..  trans-84.679.8178.7-165.20000110.6L353 R509L353-S357 WeakPolarHBondContact O-CA 3.32Å; L353-S357 WeakPolarHBondContact O-CB 3.39Å; L353-S357 PolarHBondContact O-N 3.15Å; L353-S357 VanDerWaalsContact O-N 3.08Å; S357-R509 PolarHBondContact O-NH1 3.02Å; S357-R509 PolarHBondContact O-NH2 2.78Å
358L89.4Confident85.3Confident59 Ų5969 Ų6931%0.30938%0.375SS..  trans-90.5148.9175.1-63.3176.9000111.4E356 D360 R509 A512 F561E356-L358 PolarHBondContact O-N 3.29Å; L358-D360 PolarHBondContact O-N 2.62Å; L358-R509 HydrophobicContact CD2-CG 3.92Å; L358-A512 HydrophobicContact CD1-CB 3.88Å; L358-A512 HydrophobicContact CD2-CB 4.34Å; L358-F561 HydrophobicContact CD2-CD1 4.15Å; L358-F561 HydrophobicContact CD2-CE1 3.81Å
359P87.7Confident85.5Confident19 Ų1969.2 Ų69.212%0.12338%0.375CS..  trans-63.8133173.927.6-34.7000110.9I361 D470P359-I361 VanDerWaalsContact C-N 3.28Å; P359-I361 HydrophobicContact CG-CG1 4.37Å; P359-I361 PolarHBondContact O-N 2.75Å; P359-D470 HydrophobicContact CG-CB 4.07Å
360D85.5Confident85.9Confident99 Ų9965.8 Ų65.853%0.52936%0.359SS..  trans-76.280.9173.4-173-2.6000110.5L358 K362 A363 M364L358-D360 PolarHBondContact O-N 2.62Å; D360-K362 PolarHBondContact O-N 2.86Å; D360-K362 PolarHBondContact OD1-N 3.31Å; D360-A363 HydrophobicContact CB-CB 4.11Å; D360-A363 PolarHBondContact O-N 3.12Å; D360-A363 VanDerWaalsContact O-N 3.08Å; D360-A363 PolarHBondContact OD1-N 2.82Å; D360-A363 WeakPolarHBondContact OD2-CB 3.39Å; D360-M364 WeakPolarHBondContact O-CG 3.49Å; D360-M364 PolarHBondContact O-N 3.31Å; D360-M364 VanDerWaalsContact O-N 3.11Å
361I86.5Confident86Confident4 Ų466.1 Ų66.12%0.02135%0.354CS..Hα-helixtrans-59.5-32.6-178.8-60.9-167000111.5P359 A363 M364 V365 A473 C477 S513 L514 V517P359-I361 VanDerWaalsContact C-N 3.28Å; P359-I361 HydrophobicContact CG-CG1 4.37Å; P359-I361 PolarHBondContact O-N 2.75Å; I361-A363 VanDerWaalsContact C-N 3.27Å; I361-A363 PolarHBondContact O-N 2.84Å; I361-M364 PolarHBondContact O-N 2.97Å; I361-V365 HydrophobicContact CG2-CB 4.29Å; I361-V365 HydrophobicContact CG2-CG2 3.82Å; I361-V365 WeakPolarHBondContact O-CB 3.42Å; I361-V365 PolarHBondContact O-N 3.22Å; I361-A473 HydrophobicContact CD1-CB 4.04Å; I361-C477 HydrophobicContact CG2-CB 4.32Å; I361-S513 WeakPolarHBondContact CD1-O 3.41Å; I361-L514 HydrophobicContact CD1-CD2 3.84Å; I361-V517 HydrophobicContact CG2-CG1 4.05Å; I361-V517 HydrophobicContact CG2-CG2 4.19Å
362K85.1Confident85.8Confident83 Ų8372.1 Ų72.136%0.36138%0.379SS..Hα-helixtrans-66-31.5178.3-71.2-173.3169.6-169.40112.1D360 Y370 E374 P516 V517D360-K362 PolarHBondContact O-N 2.86Å; D360-K362 PolarHBondContact OD1-N 3.31Å; K362-Y370 HydrophobicContact CG-CE2 4.47Å; K362-E374 WeakPolarHBondContact CE-OE1 3.43Å; K362-E374 IonicContact NZ-OE1 3.27Å; K362-E374 PolarHBondContact NZ-OE1 3.36Å; K362-P516 HydrophobicContact CD-CB 4.4Å; K362-P516 WeakPolarHBondContact CE-O 3.11Å; K362-V517 HydrophobicContact CG-CG1 3.89Å
363A85.6Confident85.7Confident77 Ų7768.3 Ų68.364%0.63637%0.365SS*.Hα-helixtrans-80.1-29.9173.500000113.3D360 I361D360-A363 HydrophobicContact CB-CB 4.11Å; D360-A363 PolarHBondContact O-N 3.12Å; D360-A363 VanDerWaalsContact O-N 3.08Å; D360-A363 PolarHBondContact OD1-N 2.82Å; D360-A363 WeakPolarHBondContact OD2-CB 3.39Å; I361-A363 VanDerWaalsContact C-N 3.27Å; I361-A363 PolarHBondContact O-N 2.84Å
364M84.4Confident85.7Confident110 Ų11068 Ų6854%0.54236%0.361SS..Hα-helixtrans-88.4-24.9-175.6-64.7-177.8-172.900114.3D360 I361 I474D360-M364 WeakPolarHBondContact O-CG 3.49Å; D360-M364 PolarHBondContact O-N 3.31Å; D360-M364 VanDerWaalsContact O-N 3.11Å; I361-M364 PolarHBondContact O-N 2.97Å; M364-I474 HydrophobicContact SD-CD1 3.57Å; M364-I474 VanDerWaalsContact SD-CD1 3.57Å; M364-I474 HydrophobicContact SD-CG1 4.35Å
365V84.2Confident85Confident5 Ų571.8 Ų71.83%0.0338%0.379CS..SBendtrans-115.5135.3-174.8-179.10000110.2I361 A367 L369 Y370 I474 C477 L478I361-V365 HydrophobicContact CG2-CB 4.29Å; I361-V365 HydrophobicContact CG2-CG2 3.82Å; I361-V365 WeakPolarHBondContact O-CB 3.42Å; I361-V365 PolarHBondContact O-N 3.22Å; V365-A367 PolarHBondContact O-N 3.28Å; V365-L369 HydrophobicContact CG1-CB 4.1Å; V365-L369 HydrophobicContact CG1-CD1 3.94Å; V365-Y370 HydrophobicContact CB-CD1 4.44Å; V365-Y370 HydrophobicContact CB-CE1 4.43Å; V365-Y370 HydrophobicContact CG1-CD1 4.16Å; V365-Y370 WeakPolarHBondContact O-CE1 3.46Å; V365-I474 HydrophobicContact CG2-CG2 4.36Å; V365-C477 HydrophobicContact CG1-CB 4.24Å; V365-C477 HydrophobicContact CG2-CB 3.96Å; V365-L478 HydrophobicContact CG1-CD2 4.05Å; V365-L478 HydrophobicContact CG2-CD2 4.32Å; V365-L478 HydrophobicContact CG2-CG 4.4Å
366P85.1Confident84Confident76 Ų7673.2 Ų73.249%0.49440%0.396SS..  trans-59.6133.8175.2-25.534.1000113.2I368 L369P366-I368 PolarHBondContact O-N 2.9Å; P366-L369 WeakPolarHBondContact O-CB 3.26Å; P366-L369 PolarHBondContact O-N 3.13Å
367A81.1Confident82.5Confident52 Ų5268.5 Ų68.543%0.4338%0.376SS..G310 helixtrans-55.3-27.6-177.800000115.2V365 L369 Y370 K371V365-A367 PolarHBondContact O-N 3.28Å; A367-L369 PolarHBondContact O-N 3.47Å; A367-Y370 VanDerWaalsContact CA-CZ 3.45Å; A367-Y370 HydrophobicContact CB-CE1 4.38Å; A367-Y370 HydrophobicContact CB-CE2 4.23Å; A367-Y370 PolarHBondContact O-N 3.11Å; A367-K371 WeakPolarHBondContact O-CB 3.36Å; A367-K371 PolarHBondContact O-N 2.79Å
368I83.4Confident80.6Confident157 Ų15771.5 Ų71.581%0.80539%0.386SS*.G310 helixtrans-58.6-30.1177.4-60.4169000111.3P366P366-I368 PolarHBondContact O-N 2.9Å
369L82Confident78.4Confident73 Ų7378.2 Ų78.238%0.38242%0.415SS..G310 helixtrans-80.7-15.1-177-61.7177.6000113.7V365 P366 A367 L478 N481V365-L369 HydrophobicContact CG1-CB 4.1Å; V365-L369 HydrophobicContact CG1-CD1 3.94Å; P366-L369 WeakPolarHBondContact O-CB 3.26Å; P366-L369 PolarHBondContact O-N 3.13Å; A367-L369 PolarHBondContact O-N 3.47Å; L369-L478 HydrophobicContact CD1-CD2 3.87Å; L369-N481 PolarHBondContact O-ND2 3.1Å
370Y83.2Confident76.1Confident21 Ų2180.9 Ų80.98%0.08243%0.434CS..THydrogen-bonded Turntrans-132.4-2.6-176.964.2-107.6000115.7K362 V365 A367 E372 S373 E374 V517K362-Y370 HydrophobicContact CG-CE2 4.47Å; V365-Y370 HydrophobicContact CB-CD1 4.44Å; V365-Y370 HydrophobicContact CB-CE1 4.43Å; V365-Y370 HydrophobicContact CG1-CD1 4.16Å; V365-Y370 WeakPolarHBondContact O-CE1 3.46Å; A367-Y370 VanDerWaalsContact CA-CZ 3.45Å; A367-Y370 HydrophobicContact CB-CE1 4.38Å; A367-Y370 HydrophobicContact CB-CE2 4.23Å; A367-Y370 PolarHBondContact O-N 3.11Å; Y370-E372 PolarHBondContact O-N 3.22Å; Y370-S373 VanDerWaalsContact CA-OG 3.24Å; Y370-S373 WeakPolarHBondContact CA-OG 3.48Å; Y370-S373 WeakPolarHBondContact CB-OG 3.24Å; Y370-S373 PolarHBondContact O-N 3.22Å; Y370-S373 PolarHBondContact O-OG 2.8Å; Y370-E374 HydrophobicContact CD2-CB 4.49Å; Y370-E374 WeakPolarHBondContact O-CB 3.43Å; Y370-E374 PolarHBondContact O-N 3.47Å; Y370-V517 HydrophobicContact CD1-CG1 3.95Å; Y370-V517 HydrophobicContact CD2-CB 4.33Å; Y370-V517 HydrophobicContact CD2-CG1 3.96Å; Y370-V517 HydrophobicContact CE1-CG1 4.25Å; Y370-V517 HydrophobicContact CE2-CG1 4.31Å; Y370-V517 HydrophobicContact CG-CB 4.04Å; Y370-V517 HydrophobicContact CG-CG1 3.79Å
371K82.9Confident73.6Confident131 Ų13180.1 Ų80.157%0.5743%0.43SS*.Hα-helixtrans-56.5-37.9-177.9-171.6175.3-178.2-179.60113.3A367 Q375A367-K371 WeakPolarHBondContact O-CB 3.36Å; A367-K371 PolarHBondContact O-N 2.79Å; K371-Q375 WeakPolarHBondContact O-CG 3.14Å
372E82.3Confident71.2Confident175 Ų17588.6 Ų88.682%0.81847%0.47SS*.Hα-helixtrans-71.5-37.6176.3-65.5-177.7178.500112.1Y370Y370-E372 PolarHBondContact O-N 3.22Å
373S85.4Confident69Low2 Ų289 Ų891%0.01448%0.483CS..Hα-helixtrans-71.6-37.3-179.452.10000112.7Y370 Q375 A376 N481 R486 V517Y370-S373 VanDerWaalsContact CA-OG 3.24Å; Y370-S373 WeakPolarHBondContact CA-OG 3.48Å; Y370-S373 WeakPolarHBondContact CB-OG 3.24Å; Y370-S373 PolarHBondContact O-N 3.22Å; Y370-S373 PolarHBondContact O-OG 2.8Å; S373-Q375 VanDerWaalsContact C-N 3.3Å; S373-Q375 PolarHBondContact O-N 2.86Å; S373-A376 WeakPolarHBondContact O-CB 3.27Å; S373-A376 PolarHBondContact O-N 3.04Å; S373-N481 PolarHBondContact OG-ND2 3.42Å; S373-R486 VanDerWaalsContact CB-CZ 3.43Å; S373-V517 CarbonylContact C-O 3.58Å; S373-V517 VanDerWaalsContact CB-O 3.27Å; S373-V517 WeakPolarHBondContact CB-O 3.46Å; S373-V517 PolarHBondContact OG-O 3.36Å
374E85.3Confident66.5Low64 Ų6494 Ų9430%0.29949%0.49SS..Hα-helixtrans-62.6-37.4179.1-178.5175.2-152.700111.8K362 Y370 A376 V517K362-E374 WeakPolarHBondContact CE-OE1 3.43Å; K362-E374 IonicContact NZ-OE1 3.27Å; K362-E374 PolarHBondContact NZ-OE1 3.36Å; Y370-E374 HydrophobicContact CD2-CB 4.49Å; Y370-E374 WeakPolarHBondContact O-CB 3.43Å; Y370-E374 PolarHBondContact O-N 3.47Å; E374-A376 VanDerWaalsContact C-N 3.34Å; E374-V517 PolarHBondContact N-O 2.8Å; E374-V517 VanDerWaalsContact N-O 3.15Å
375Q78.1Confident64.1Low114 Ų11495.4 Ų95.453%0.53350%0.5SS..Hα-helixtrans-77.1-19.5-179-67.61775.500113.6K371 S373 G377 I378K371-Q375 WeakPolarHBondContact O-CG 3.14Å; S373-Q375 VanDerWaalsContact C-N 3.3Å; S373-Q375 PolarHBondContact O-N 2.86Å; Q375-G377 PolarHBondContact O-N 2.75Å; Q375-G377 VanDerWaalsContact O-N 3.08Å; Q375-I378 HydrophobicContact CB-CD1 4.31Å; Q375-I378 HydrophobicContact CG-CD1 4.25Å; Q375-I378 PolarHBondContact O-N 2.78Å
376A71.7Confident61.9Low54 Ų5498.7 Ų98.745%0.44652%0.515SS..THydrogen-bonded Turntrans-65.2-14.2-174.800000114.4S373 E374 D520S373-A376 WeakPolarHBondContact O-CB 3.27Å; S373-A376 PolarHBondContact O-N 3.04Å; E374-A376 VanDerWaalsContact C-N 3.34Å; A376-D520 HydrophobicContact CB-CB 4.34Å
377G55.8Low59.4Low5 Ų5105.7 Ų105.75%0.05253%0.533CS..THydrogen-bonded Turntrans-104.61.3-179.700000116.2Q375 E379Q375-G377 PolarHBondContact O-N 2.75Å; Q375-G377 VanDerWaalsContact O-N 3.08Å; G377-E379 PolarHBondContact O-N 2.89Å
378I48.5Very low57.1Low121 Ų121104.8 Ų104.862%0.62153%0.529SS*.THydrogen-bonded Turntrans-72.1-14.7-169.2-63.7176.2000113Q375 S380Q375-I378 HydrophobicContact CB-CD1 4.31Å; Q375-I378 HydrophobicContact CG-CD1 4.25Å; Q375-I378 PolarHBondContact O-N 2.78Å; I378-S380 VanDerWaalsContact C-N 3.28Å; I378-S380 PolarHBondContact O-N 3.4Å
379E41.6Very low54.8Low200 Ų200103.3 Ų103.394%0.93552%0.523SS*.THydrogen-bonded Turntrans-76.9-4.8-178.1-66.2-171167.900115G377G377-E379 PolarHBondContact O-N 2.89Å
380S40.6Very low52.8Low75 Ų75104.9 Ų104.952%0.52454%0.538SS..THydrogen-bonded Turntrans-153.53-179.947.60000118.5I378I378-S380 VanDerWaalsContact C-N 3.28Å; I378-S380 PolarHBondContact O-N 3.4Å
381N32.6Very low50.4Low83 Ų83108 Ų10844%0.44457%0.567SS.*  trans-120.990.5-178.3-88.7-20.2000112.8
382Q35.6Very low48.4Very low183 Ų183104 Ų10486%0.85556%0.563SS**  trans-115.376.3155.8-73.8-171.21.900108.4
383S39.3Very low46.6Very low90 Ų90101.2 Ų101.263%0.62956%0.563SS**  trans-133.758.1179.3440000109.4
384K33.9Very low45Very low182 Ų182106.8 Ų106.879%0.79159%0.589SS**  trans-13189169.3-83.8-171.5174.6-177.10109.3
385N33.1Very low43.7Very low140 Ų140110.2 Ų110.275%0.74961%0.609SS**  trans-170.8103.9144-93.6-11000107Y387N385-Y387 VanDerWaalsContact C-N 3.34Å
386E38.5Very low43.2Very low74 Ų74105.8 Ų105.835%0.34659%0.589SS.*  trans-93.121.9-178.5-76.3-170.5158.700113.6K562E386-K562 WeakPolarHBondContact OE2-CD 3.43Å; E386-K562 VanDerWaalsContact OE2-CE 3.25Å; E386-K562 WeakPolarHBondContact OE2-CE 3.47Å; E386-K562 IonicContact OE2-NZ 2.83Å; E386-K562 PolarHBondContact OE2-NZ 2.86Å
387Y33.5Very low43.5Very low224 Ų224107.2 Ų107.288%0.87859%0.589SS**  trans-114.369.1171.6-70.7-83.5000109N385N385-Y387 VanDerWaalsContact C-N 3.34Å
388G31.2Very low44.6Very low33 Ų33108.4 Ų108.434%0.3459%0.594SS.*  trans-85.7130.617000000110.3
389D35.2Very low46.2Very low125 Ų125107 Ų10767%0.66859%0.588SS**  trans-53.2128.8172.6-173.218.5000111.4A391D389-A391 PolarHBondContact O-N 3.2Å
390P40.2Very low48Very low107 Ų107100.9 Ų100.970%0.69556%0.564SS**  trans-77.756.2172.532.4-32.9000111.2G392P390-G392 PolarHBondContact O-N 3.4Å; P390-G392 VanDerWaalsContact O-N 3.1Å
391A33.2Very low49.9Very low86 Ų8697.3 Ų97.371%0.71154%0.539SS*.  trans-83.381.4174.900000110.5D389D389-A391 PolarHBondContact O-N 3.2Å
392G40Very low52.3Low46 Ų4696.3 Ų96.347%0.47453%0.532SS..  trans165.680174.500000113P390 E394P390-G392 PolarHBondContact O-N 3.4Å; P390-G392 VanDerWaalsContact O-N 3.1Å; G392-E394 PolarHBondContact O-N 2.86Å
393S45.4Very low54.6Low117 Ų11790.4 Ų90.482%0.81851%0.511SS*.  trans-72.844.9-179.965.10000113.9
394E51.9Low56.6Low120 Ų12089.4 Ų89.456%0.56150%0.496SS*.  trans-91.5110.9165.1-68.1-179.4-175.700107.4R277 G392 I396R277-E394 IonicContact CZ-OE2 2.89Å; R277-E394 IonicContact NH1-OE2 3.65Å; R277-E394 PolarHBondContact NH1-OE2 2.94Å; R277-E394 VanDerWaalsContact NH1-OE2 3.08Å; R277-E394 IonicContact NH2-OE2 3.22Å; R277-E394 PolarHBondContact NH2-OE2 2.73Å; G392-E394 PolarHBondContact O-N 2.86Å; E394-I396 PolarHBondContact O-N 3.01Å
395D58.4Low59Low135 Ų13580.8 Ų80.872%0.72246%0.459SS*.  trans-62.2134.3167.2-80.3-24.1000109.3D397 K607D395-D397 PolarHBondContact O-N 2.85Å; D395-K607 IonicContact OD1-NZ 3.92Å
396I67.4Low61.5Low21 Ų2176.6 Ų76.611%0.10844%0.444CS..  trans-73102.9174.1-65.6152.4000106R277 E394 I398 V401 K607 R608 V611R277-I396 HydrophobicContact CB-CD1 4.45Å; R277-I396 HydrophobicContact CG-CD1 4.39Å; E394-I396 PolarHBondContact O-N 3.01Å; I396-I398 PolarHBondContact O-N 3.28Å; I396-V401 HydrophobicContact CG2-CG2 3.6Å; I396-K607 HydrophobicContact CD1-CB 3.85Å; I396-R608 HydrophobicContact CD1-CG 3.75Å; I396-R608 VanDerWaalsContact CD1-NE 3.28Å; I396-V611 HydrophobicContact CB-CG2 4.2Å; I396-V611 HydrophobicContact CG2-CG1 4.48Å; I396-V611 HydrophobicContact CG2-CG2 4.03Å
397D76.7Confident63.6Low85 Ų8579.9 Ų79.946%0.45546%0.457SS..  trans-63.3118.5176.9-1808.5000109.9D395 D399 T400 V401D395-D397 PolarHBondContact O-N 2.85Å; D397-D399 PolarHBondContact O-N 2.66Å; D397-D399 PolarHBondContact OD1-N 3.3Å; D397-D399 VanDerWaalsContact OD1-N 3.14Å; D397-T400 HydrophobicContact CB-CG2 3.86Å; D397-T400 PolarHBondContact O-N 3.24Å; D397-T400 VanDerWaalsContact O-N 3.09Å; D397-T400 PolarHBondContact O-OG1 2.99Å; D397-V401 PolarHBondContact O-N 3.08Å
398I80.1Confident65.8Low29 Ų2972.4 Ų72.415%0.14943%0.43CS..Hα-helixtrans-58.9-36.2-176.6-58152.9000110.4I396 T400 V401 E402 V611 E614 I615 R618I396-I398 PolarHBondContact O-N 3.28Å; I398-T400 VanDerWaalsContact C-N 3.27Å; I398-T400 PolarHBondContact O-N 3.25Å; I398-V401 PolarHBondContact O-N 3.26Å; I398-E402 HydrophobicContact CG2-CG 4.48Å; I398-E402 PolarHBondContact O-N 3.09Å; I398-V611 HydrophobicContact CG1-CG1 4.24Å; I398-V611 HydrophobicContact CG1-CG2 4.09Å; I398-V611 HydrophobicContact CG2-CG1 4.43Å; I398-E614 WeakPolarHBondContact CD1-OE2 3.48Å; I398-I615 HydrophobicContact CG2-CD1 4.33Å; I398-I615 HydrophobicContact CG2-CG1 3.85Å; I398-R618 VanDerWaalsContact CG2-CZ 3.49Å; I398-R618 VanDerWaalsContact CG2-NH1 3.31Å
399D81.4Confident68.3Low93 Ų9372.4 Ų72.450%0.49742%0.421SS..Hα-helixtrans-69.2-29.1-177.1-63.8-9.9000111.2D397 S403 R618D397-D399 PolarHBondContact O-N 2.66Å; D397-D399 PolarHBondContact OD1-N 3.3Å; D397-D399 VanDerWaalsContact OD1-N 3.14Å; D399-S403 WeakPolarHBondContact O-CB 3.11Å; D399-S403 PolarHBondContact O-N 3.24Å; D399-R618 IonicContact OD1-NH1 3.24Å; D399-R618 PolarHBondContact OD1-NH1 3.41Å
400T80.9Confident70.5Confident70 Ų7069 Ų6943%0.42941%0.41SS..Hα-helixtrans-67.9-43.8172.764.90000111.8D397 I398 S403 E404D397-T400 HydrophobicContact CB-CG2 3.86Å; D397-T400 PolarHBondContact O-N 3.24Å; D397-T400 VanDerWaalsContact O-N 3.09Å; D397-T400 PolarHBondContact O-OG1 2.99Å; I398-T400 VanDerWaalsContact C-N 3.27Å; I398-T400 PolarHBondContact O-N 3.25Å; T400-S403 WeakPolarHBondContact O-CB 3.38Å; T400-S403 PolarHBondContact O-N 3.36Å; T400-E404 PolarHBondContact O-N 2.72Å
401V80.1Confident72.3Confident1 Ų170 Ų701%0.00641%0.409CS..Hα-helixtrans-67.2-38.9178.5-179.10000110.8I396 D397 I398 S403 E404 L405 V611 Y612 I615I396-V401 HydrophobicContact CG2-CG2 3.6Å; D397-V401 PolarHBondContact O-N 3.08Å; I398-V401 PolarHBondContact O-N 3.26Å; V401-S403 VanDerWaalsContact C-N 3.33Å; V401-S403 PolarHBondContact O-N 3.31Å; V401-E404 PolarHBondContact O-N 2.95Å; V401-L405 HydrophobicContact CG1-CD1 4.22Å; V401-L405 VanDerWaalsContact O-CG 3.28Å; V401-L405 WeakPolarHBondContact O-CG 3.23Å; V401-L405 PolarHBondContact O-N 3.49Å; V401-V611 HydrophobicContact CB-CG1 4.17Å; V401-V611 HydrophobicContact CG1-CG1 4.27Å; V401-V611 HydrophobicContact CG2-CG1 4.07Å; V401-Y612 HydrophobicContact CG1-CD1 4.47Å; V401-Y612 HydrophobicContact CG1-CE1 3.88Å; V401-I615 HydrophobicContact CB-CD1 4.06Å; V401-I615 HydrophobicContact CG1-CD1 3.62Å
402E82.7Confident74.2Confident61 Ų6168 Ų6829%0.28539%0.386SS..Hα-helixtrans-63-38.6172.3-75.7-175174.100112.3I398 L405 A406 I615 R618I398-E402 HydrophobicContact CG2-CG 4.48Å; I398-E402 PolarHBondContact O-N 3.09Å; E402-L405 PolarHBondContact O-N 3.4Å; E402-A406 WeakPolarHBondContact O-CB 3.42Å; E402-A406 PolarHBondContact O-N 3.07Å; E402-I615 HydrophobicContact CG-CD1 4.14Å; E402-I615 HydrophobicContact CG-CG1 3.95Å; E402-R618 WeakPolarHBondContact OE1-CD 3.37Å; E402-R618 IonicContact OE1-CZ 2.69Å; E402-R618 IonicContact OE1-NE 3.55Å; E402-R618 IonicContact OE1-NH1 3.33Å; E402-R618 PolarHBondContact OE1-NH1 3.45Å; E402-R618 VanDerWaalsContact OE1-NH1 3.08Å; E402-R618 IonicContact OE2-NH1 3.41Å; E402-R618 PolarHBondContact OE2-NH1 3.45Å
403S82.9Confident75.8Confident59 Ų5972.6 Ų72.641%0.41339%0.389SS..Hα-helixtrans-63.1-40.6174.7-168.60000112.2D399 T400 V401 A406 K407D399-S403 WeakPolarHBondContact O-CB 3.11Å; D399-S403 PolarHBondContact O-N 3.24Å; T400-S403 WeakPolarHBondContact O-CB 3.38Å; T400-S403 PolarHBondContact O-N 3.36Å; V401-S403 VanDerWaalsContact C-N 3.33Å; V401-S403 PolarHBondContact O-N 3.31Å; S403-A406 PolarHBondContact O-N 2.9Å; S403-K407 WeakPolarHBondContact O-CG 3.21Å; S403-K407 PolarHBondContact O-N 3.43Å; S403-K407 VanDerWaalsContact O-N 3.08Å
404E82.6Confident76.9Confident69 Ų6972 Ų7232%0.32238%0.38SS..Hα-helixtrans-62.7-46.3173.5-70.1-177.5-175.400111.8T400 V401 A406 K407 E408 K574T400-E404 PolarHBondContact O-N 2.72Å; V401-E404 PolarHBondContact O-N 2.95Å; E404-A406 VanDerWaalsContact C-N 3.31Å; E404-A406 PolarHBondContact O-N 2.86Å; E404-K407 WeakPolarHBondContact O-CB 3.01Å; E404-K407 PolarHBondContact O-N 3.48Å; E404-K407 VanDerWaalsContact O-N 3.16Å; E404-E408 PolarHBondContact O-N 2.67Å; E404-K574 IonicContact OE2-NZ 3.81Å; E404-K574 PolarHBondContact OE2-NZ 3.48Å
405L84.4Confident77.3Confident2 Ų269.1 Ų69.11%0.0137%0.373CS..Hα-helixtrans-60.5-40.9176.4-70.3168000111.4V401 E402 K407 E408 E409 K574 L577 P578 I615V401-L405 HydrophobicContact CG1-CD1 4.22Å; V401-L405 VanDerWaalsContact O-CG 3.28Å; V401-L405 WeakPolarHBondContact O-CG 3.23Å; V401-L405 PolarHBondContact O-N 3.49Å; E402-L405 PolarHBondContact O-N 3.4Å; L405-K407 VanDerWaalsContact C-N 3.33Å; L405-K407 PolarHBondContact O-N 2.98Å; L405-E408 PolarHBondContact O-N 2.88Å; L405-E409 WeakPolarHBondContact O-CB 3.3Å; L405-E409 VanDerWaalsContact O-CG 3.3Å; L405-E409 WeakPolarHBondContact O-CG 3.42Å; L405-E409 PolarHBondContact O-N 3.48Å; L405-K574 HydrophobicContact CD2-CG 4.17Å; L405-L577 HydrophobicContact CD1-CB 4.04Å; L405-L577 HydrophobicContact CD1-CD1 4.1Å; L405-L577 HydrophobicContact CD2-CB 3.71Å; L405-P578 HydrophobicContact CD2-CG 3.9Å; L405-I615 HydrophobicContact CD1-CD1 3.93Å; L405-I615 HydrophobicContact CD1-CG2 3.98Å
406A84.4Confident77.2Confident52 Ų5266.7 Ų66.743%0.4336%0.357SS..Hα-helixtrans-64.8-34.617700000112.8E402 S403 E404 A410E402-A406 WeakPolarHBondContact O-CB 3.42Å; E402-A406 PolarHBondContact O-N 3.07Å; S403-A406 PolarHBondContact O-N 2.9Å; E404-A406 VanDerWaalsContact C-N 3.31Å; E404-A406 PolarHBondContact O-N 2.86Å; A406-A410 WeakPolarHBondContact O-CB 3.46Å; A406-A410 PolarHBondContact O-N 3.09Å
407K83.5Confident76.4Confident143 Ų14371.9 Ų71.962%0.62239%0.386SS*.Hα-helixtrans-67.4-43.3172.9-69.9169.5-172.2171.70111.3S403 E404 L405 A410 L411S403-K407 WeakPolarHBondContact O-CG 3.21Å; S403-K407 PolarHBondContact O-N 3.43Å; S403-K407 VanDerWaalsContact O-N 3.08Å; E404-K407 WeakPolarHBondContact O-CB 3.01Å; E404-K407 PolarHBondContact O-N 3.48Å; E404-K407 VanDerWaalsContact O-N 3.16Å; L405-K407 VanDerWaalsContact C-N 3.33Å; L405-K407 PolarHBondContact O-N 2.98Å; K407-A410 PolarHBondContact O-N 3.49Å; K407-L411 PolarHBondContact O-N 2.8Å
408E80.2Confident75.1Confident66 Ų6670.8 Ų70.831%0.30839%0.394SS..Hα-helixtrans-62.7-41.4174.5-71.5-172-17600111.5E404 L405 A410 L411 I412 P578E404-E408 PolarHBondContact O-N 2.67Å; L405-E408 PolarHBondContact O-N 2.88Å; E408-A410 PolarHBondContact O-N 2.69Å; E408-L411 PolarHBondContact O-N 3.08Å; E408-I412 WeakPolarHBondContact O-CB 3.17Å; E408-I412 WeakPolarHBondContact O-CD1 3.41Å; E408-I412 WeakPolarHBondContact O-CG1 3.44Å; E408-I412 PolarHBondContact O-N 2.94Å; E408-P578 HydrophobicContact CB-CB 4.44Å; E408-P578 HydrophobicContact CB-CG 4Å; E408-P578 WeakPolarHBondContact OE2-CG 3.45Å
409E83.3Confident73.3Confident34 Ų3475.4 Ų75.416%0.15942%0.419CS..Hα-helixtrans-58.4-45.4173.3-75.2178.1-150.900112L405 I412 R413 P578 K619L405-E409 WeakPolarHBondContact O-CB 3.3Å; L405-E409 VanDerWaalsContact O-CG 3.3Å; L405-E409 WeakPolarHBondContact O-CG 3.42Å; L405-E409 PolarHBondContact O-N 3.48Å; E409-I412 PolarHBondContact O-N 2.95Å; E409-R413 WeakPolarHBondContact O-CG 3.29Å; E409-R413 PolarHBondContact O-N 3.46Å; E409-R413 IonicContact OE2-NH2 2.94Å; E409-P578 VanDerWaalsContact CG-C 3.46Å; E409-P578 HydrophobicContact CG-CB 3.55Å; E409-P578 WeakPolarHBondContact CG-O 3.38Å; E409-K619 IonicContact OE1-NZ 3.59Å; E409-K619 PolarHBondContact OE1-NZ 3.31Å
410A81.7Confident71.2Confident52 Ų5279 Ų7943%0.4343%0.433SS..Hα-helixtrans-64.1-42.2177.600000111.8A406 K407 E408 I412 R413 V414A406-A410 WeakPolarHBondContact O-CB 3.46Å; A406-A410 PolarHBondContact O-N 3.09Å; K407-A410 PolarHBondContact O-N 3.49Å; E408-A410 PolarHBondContact O-N 2.69Å; A410-I412 VanDerWaalsContact C-N 3.32Å; A410-I412 PolarHBondContact O-N 2.95Å; A410-R413 PolarHBondContact O-N 3.06Å; A410-V414 WeakPolarHBondContact O-CG2 3.01Å; A410-V414 PolarHBondContact O-N 3.43Å
411L77.2Confident69.1Low129 Ų12981 Ų8168%0.67545%0.45SS*.Hα-helixtrans-62.5-40.6176.5-175.864.9000111.7K407 E408 V414 S415K407-L411 PolarHBondContact O-N 2.8Å; E408-L411 PolarHBondContact O-N 3.08Å; L411-V414 PolarHBondContact O-N 3.39Å; L411-S415 PolarHBondContact O-N 3.17Å; L411-S415 VanDerWaalsContact O-N 3.12Å
412I74Confident66.7Low45 Ų4585.9 Ų85.923%0.23148%0.48CS..Hα-helixtrans-62.2-44.4175.5-72.3165000110.7E408 E409 A410 S415 E416 P578E408-I412 WeakPolarHBondContact O-CB 3.17Å; E408-I412 WeakPolarHBondContact O-CD1 3.41Å; E408-I412 WeakPolarHBondContact O-CG1 3.44Å; E408-I412 PolarHBondContact O-N 2.94Å; E409-I412 PolarHBondContact O-N 2.95Å; A410-I412 VanDerWaalsContact C-N 3.32Å; A410-I412 PolarHBondContact O-N 2.95Å; I412-S415 PolarHBondContact O-N 2.94Å; I412-S415 PolarHBondContact O-OG 3.26Å; I412-E416 PolarHBondContact O-N 3.11Å; I412-P578 HydrophobicContact CD1-CB 3.86Å; I412-P578 HydrophobicContact CD1-CG 4.49Å
413R72Confident64.1Low142 Ų14290.2 Ų90.254%0.53651%0.505SS..Hα-helixtrans-64.4-40.9177.5-70.7179.5-170168.59.3112.8E409 A410 S415 E416 D417E409-R413 WeakPolarHBondContact O-CG 3.29Å; E409-R413 PolarHBondContact O-N 3.46Å; E409-R413 IonicContact OE2-NH2 2.94Å; A410-R413 PolarHBondContact O-N 3.06Å; R413-S415 VanDerWaalsContact C-N 3.26Å; R413-S415 PolarHBondContact O-N 3Å; R413-E416 WeakPolarHBondContact O-CB 3.14Å; R413-E416 PolarHBondContact O-N 3.47Å; R413-D417 PolarHBondContact O-N 3.16Å
414V69.2Low61.4Low103 Ų10393.6 Ų93.662%0.62453%0.527SS*.Hα-helixtrans-62.7-35.3175.9175.10000111.5A410 L411 E416A410-V414 WeakPolarHBondContact O-CG2 3.01Å; A410-V414 PolarHBondContact O-N 3.43Å; L411-V414 PolarHBondContact O-N 3.39Å; V414-E416 PolarHBondContact O-N 3.18Å
415S60Low58.8Low61 Ų6195.8 Ų95.843%0.42755%0.545SS..Hα-helixtrans-68.3-21.5175.475.40000113.8L411 I412 R413L411-S415 PolarHBondContact O-N 3.17Å; L411-S415 VanDerWaalsContact O-N 3.12Å; I412-S415 PolarHBondContact O-N 2.94Å; I412-S415 PolarHBondContact O-OG 3.26Å; R413-S415 VanDerWaalsContact C-N 3.26Å; R413-S415 PolarHBondContact O-N 3Å
416E55.8Low56.1Low83 Ų83101 Ų10139%0.38858%0.582SS.*Hα-helixtrans-75.3-47.4176.7-70.9-177.515800111.8I412 R413 V414 G418 N419 E420 R540I412-E416 PolarHBondContact O-N 3.11Å; R413-E416 WeakPolarHBondContact O-CB 3.14Å; R413-E416 PolarHBondContact O-N 3.47Å; V414-E416 PolarHBondContact O-N 3.18Å; E416-G418 PolarHBondContact O-N 3.45Å; E416-G418 VanDerWaalsContact O-N 3.15Å; E416-N419 PolarHBondContact O-N 3.16Å; E416-E420 PolarHBondContact O-N 3.41Å; E416-R540 VanDerWaalsContact CD-NH1 3.29Å; E416-R540 IonicContact OE1-CZ 2.8Å; E416-R540 IonicContact OE1-NH1 3.37Å; E416-R540 PolarHBondContact OE1-NH1 3.29Å
417D51.5Low53.5Low131 Ų131104.1 Ų104.170%0.70160%0.596SS**Hα-helixtrans-60.7-28.4179.9-72.5-18.3000112.2R413 N419R413-D417 PolarHBondContact O-N 3.16Å; D417-N419 VanDerWaalsContact C-N 3.31Å; D417-N419 PolarHBondContact O-N 2.8Å
418G50.3Low50.9Low62 Ų62105 Ų10564%0.63961%0.606SS**THydrogen-bonded Turntrans-72.8-18.3175.100000114.8E416E416-G418 PolarHBondContact O-N 3.45Å; E416-G418 VanDerWaalsContact O-N 3.15Å
419N41.4Very low48.7Very low125 Ų125109.4 Ų109.467%0.66863%0.632SS**THydrogen-bonded Turntrans-113.2-5.9-167.1-135.641.7000114.3E416 D417 S421E416-N419 PolarHBondContact O-N 3.16Å; D417-N419 VanDerWaalsContact C-N 3.31Å; D417-N419 PolarHBondContact O-N 2.8Å; N419-S421 PolarHBondContact O-N 3.12Å
420E38Very low46.3Very low170 Ų170116.1 Ų116.179%0.79466%0.66SS**THydrogen-bonded Turntrans-68.9-12.3176.8-71-160.2150.700113.8E416 T422E416-E420 PolarHBondContact O-N 3.41Å; E420-T422 PolarHBondContact O-N 3.37Å
421S35.9Very low44.2Very low111 Ų111117.8 Ų117.878%0.77667%0.669SS**THydrogen-bonded Turntrans-8812.1-176-600000115.3N419N419-S421 PolarHBondContact O-N 3.12Å
422T30.8Very low42.5Very low104 Ų104118.1 Ų118.164%0.63867%0.665SS**SBendtrans-137.697.7175.8-39.70000111.6E420 C424E420-T422 PolarHBondContact O-N 3.37Å; T422-C424 PolarHBondContact O-N 3.04Å
423N26.9Very low40.9Very low151 Ų151119.1 Ų119.181%0.80767%0.674SS**  trans-39.6105.4162.9-92.4-27.6000110.3T425N423-T425 PolarHBondContact O-N 3.43Å
424C27.2Very low39.9Very low130 Ų130114.8 Ų114.888%0.87866%0.658SS**  trans-7866.9172.7-75.40000109.9T422T422-C424 PolarHBondContact O-N 3.04Å
425T27.2Very low38.7Very low116 Ų116116 Ų11671%0.71266%0.66SS**  trans-113.1119162.2-47.90000106.4N423N423-T425 PolarHBondContact O-N 3.43Å
426S28.4Very low37.9Very low112 Ų112115.4 Ų115.478%0.78365%0.652SS**  trans75.862.5174.577.40000118.1
427V29.2Very low37.4Very low117 Ų117117.7 Ų117.771%0.70967%0.667SS**  trans-125.497.5142.2-174.10000107D429V427-D429 PolarHBondContact O-N 2.85Å
428L29.8Very low37.1Very low160 Ų160114.7 Ų114.784%0.83865%0.654SS**  trans-13.7123157-169.375.7000111.9K430L428-K430 PolarHBondContact O-N 3.34Å
429D32.5Very low36.6Very low159 Ų159116.6 Ų116.685%0.8565%0.649SS**  trans-17.494.8169.3-94.1-39.1000112.1V427 S431V427-D429 PolarHBondContact O-N 2.85Å; D429-S431 PolarHBondContact O-N 3.44Å
430K33.9Very low36.8Very low176 Ų176116.5 Ų116.577%0.76565%0.649SS**  trans-68.781.1158.4-78-174.3176.7178.80105.6L428L428-K430 PolarHBondContact O-N 3.34Å
431S37.6Very low37Very low86 Ų86111.4 Ų111.460%0.60164%0.642SS**  trans18.3114.6152.1560000114.1D429D429-S431 PolarHBondContact O-N 3.44Å
432K40Very low37.5Very low136 Ų136113.1 Ų113.159%0.59164%0.637SS**  trans-34.3130159.3-75.3172.8171.9173.90109.7Y434K432-Y434 HydrophobicContact CB-CD2 3.86Å; K432-Y434 HydrophobicContact CB-CE2 4.14Å; K432-Y434 PolarHBondContact O-N 2.91Å
433P42Very low38.2Very low66 Ų66115.5 Ų115.543%0.42964%0.641SS.*SBendtrans-73.214.5-165.230.5-35.2000114.7L435 W535P433-L435 PolarHBondContact O-N 3.39Å; P433-W535 HydrophobicContact CG-CB 4.34Å; P433-W535 HydrophobicContact CG-CG 4.26Å
434Y50.5Low39.1Very low52 Ų52110.2 Ų110.220%0.20461%0.613CS.*  trans-78.762.2177.1-52.7-72.9000111.8K432 L436 F494 M528 E532K432-Y434 HydrophobicContact CB-CD2 3.86Å; K432-Y434 HydrophobicContact CB-CE2 4.14Å; K432-Y434 PolarHBondContact O-N 2.91Å; Y434-L436 VanDerWaalsContact C-N 3.25Å; Y434-L436 PolarHBondContact O-N 3.22Å; Y434-F494 HydrophobicContact CD1-CE1 4.43Å; Y434-F494 HydrophobicContact CE1-CD1 4.47Å; Y434-F494 AromaticContact CE1-CE1 3.76Å; Y434-F494 HydrophobicContact CE1-CE1 3.76Å; Y434-F494 HydrophobicContact CE1-CE2 4.07Å; Y434-F494 AromaticContact CE1-CZ 3.57Å; Y434-F494 HydrophobicContact CE1-CZ 3.57Å; Y434-F494 AromaticContact CE2-CE1 3.91Å; Y434-F494 HydrophobicContact CE2-CE1 3.91Å; Y434-F494 HydrophobicContact CE2-CZ 4.07Å; Y434-F494 AromaticContact CZ-CE1 3.52Å; Y434-F494 AromaticContact CZ-CZ 3.28Å; Y434-F494 WeakPolarHBondContact OH-CZ 3.36Å; Y434-M528 HydrophobicContact CD1-CB 4.43Å; Y434-M528 HydrophobicContact CD1-CE 3.8Å; Y434-M528 HydrophobicContact CD1-CG 4.15Å; Y434-M528 HydrophobicContact CE1-CB 4.13Å; Y434-M528 HydrophobicContact CE1-CE 4.21Å; Y434-M528 HydrophobicContact CE1-CG 4.36Å; Y434-E532 VanDerWaalsContact OH-CA 3.28Å; Y434-E532 WeakPolarHBondContact OH-CA 3.41Å; Y434-E532 WeakPolarHBondContact OH-CB 3.33Å; Y434-E532 VanDerWaalsContact OH-CG 3.29Å; Y434-E532 WeakPolarHBondContact OH-CG 3.49Å; Y434-E532 PolarHBondContact OH-OE2 3.11Å
435L42.8Very low40.4Very low127 Ų127111.9 Ų111.967%0.66561%0.613SS**  trans-93.969.1155.9-79.1170.5000107.8P433 N437P433-L435 PolarHBondContact O-N 3.39Å; L435-N437 PolarHBondContact O-N 3.37Å
436L44.7Very low41.9Very low49 Ų49111.5 Ų111.526%0.25761%0.606SS.*SBendtrans-64.1100.5143.2-160.690.6000103.2Y434 T438 R487Y434-L436 VanDerWaalsContact C-N 3.25Å; Y434-L436 PolarHBondContact O-N 3.22Å; L436-T438 PolarHBondContact O-N 2.89Å; L436-R487 HydrophobicContact CD2-CB 4.21Å; L436-R487 HydrophobicContact CD2-CG 3.74Å
437N45.2Very low43.9Very low132 Ų132111 Ų11171%0.70660%0.6SS**  trans-31.9108-175-75.5-23.9000108.7L435 D439L435-N437 PolarHBondContact O-N 3.37Å; N437-D439 PolarHBondContact O-N 2.85Å
438T44.1Very low46.1Very low68 Ų68109.2 Ų109.242%0.41759%0.593SS.*  trans-71.888.7178.5-27.50000105.2L436 D440L436-T438 PolarHBondContact O-N 2.89Å; T438-D440 WeakPolarHBondContact CB-OD2 3.46Å; T438-D440 HydrophobicContact CG2-CB 4.32Å; T438-D440 WeakPolarHBondContact CG2-OD1 3.39Å; T438-D440 WeakPolarHBondContact CG2-OD2 3.36Å; T438-D440 PolarHBondContact O-N 2.9Å
439D41.5Very low48.3Very low102 Ų102102.9 Ų102.955%0.54557%0.566SS.*  trans-70.367.4157.6-163.614.2000106.3N437 G441N437-D439 PolarHBondContact O-N 2.85Å; D439-G441 PolarHBondContact O-N 3.46Å; D439-G441 PolarHBondContact OD1-N 2.9Å
440D44Very low50.6Low123 Ų12399.2 Ų99.266%0.65854%0.543SS*.THydrogen-bonded Turntrans-68.95.3163.4-74.2-38.3000110T438T438-D440 WeakPolarHBondContact CB-OD2 3.46Å; T438-D440 HydrophobicContact CG2-CB 4.32Å; T438-D440 WeakPolarHBondContact CG2-OD1 3.39Å; T438-D440 WeakPolarHBondContact CG2-OD2 3.36Å; T438-D440 PolarHBondContact O-N 2.9Å
441G43.2Very low53.2Low63 Ų6395.2 Ų95.265%0.64953%0.533SS*.THydrogen-bonded Turntrans-76-20-179.800000114.6D439 E443D439-G441 PolarHBondContact O-N 3.46Å; D439-G441 PolarHBondContact OD1-N 2.9Å; G441-E443 VanDerWaalsContact C-N 3.33Å; G441-E443 PolarHBondContact O-N 3.37Å
442E45.1Very low55.6Low146 Ų14695.7 Ų95.768%0.68253%0.528SS*.  trans-90.477.4167.5-68.7-168.7176.100109D444E442-D444 PolarHBondContact O-N 3.22Å
443E45.9Very low58Low154 Ų15489.3 Ų89.372%0.7250%0.5SS*.  trans-56.294.4160-72.1-16915900108.1G441 L445G441-E443 VanDerWaalsContact C-N 3.33Å; G441-E443 PolarHBondContact O-N 3.37Å; E443-L445 PolarHBondContact O-N 3.13Å
444D47.4Very low60.3Low40 Ų4091.7 Ų91.721%0.21451%0.506CS..  trans-50.1102.9167.2-90.6-54.4000107.7E442 N446E442-D444 PolarHBondContact O-N 3.22Å; D444-N446 PolarHBondContact O-N 3.44Å
445L53.7Low62.3Low166 Ų16692.9 Ų92.987%0.86952%0.518SS*.SBendtrans-63.1-0.3-179.7-79.9125000113.5E443 P447E443-L445 PolarHBondContact O-N 3.13Å; L445-P447 VanDerWaalsContact O-CD 3.26Å; L445-P447 WeakPolarHBondContact O-CD 3.42Å
446N58.6Low64.8Low108 Ų10887.7 Ų87.758%0.57849%0.491SS*.  trans-104.697.5178.5-84.2-13.2000111.4D444 S448 G449D444-N446 PolarHBondContact O-N 3.44Å; N446-S448 PolarHBondContact O-N 3.46Å; N446-G449 PolarHBondContact O-N 3.49Å; N446-G449 VanDerWaalsContact O-N 3.09Å
447P70.2Confident67.1Low101 Ų10187 Ų8766%0.65649%0.487SS*.Hα-helixtrans-58.3-31.4177.222.7-33000112.5L445 G449 K450 V451L445-P447 VanDerWaalsContact O-CD 3.26Å; L445-P447 WeakPolarHBondContact O-CD 3.42Å; P447-G449 VanDerWaalsContact C-N 3.34Å; P447-G449 PolarHBondContact O-N 3.26Å; P447-K450 PolarHBondContact O-N 2.9Å; P447-V451 WeakPolarHBondContact O-CG2 3.45Å; P447-V451 PolarHBondContact O-N 3.37Å
448S75.8Confident69.3Low80 Ų8084.4 Ų84.456%0.55948%0.476SS*.Hα-helixtrans-61.5-37.4177.2-169.70000113.2N446 V451 L452N446-S448 PolarHBondContact O-N 3.46Å; S448-V451 PolarHBondContact O-N 3.05Å; S448-L452 WeakPolarHBondContact O-CD1 3.19Å; S448-L452 WeakPolarHBondContact O-CG 3.28Å; S448-L452 PolarHBondContact O-N 3.48Å
449G74.8Confident71.7Confident27 Ų2786.4 Ų86.428%0.27848%0.481SS..Hα-helixtrans-70-38.5-178.500000112.4N446 P447 L452 M453N446-G449 PolarHBondContact O-N 3.49Å; N446-G449 VanDerWaalsContact O-N 3.09Å; P447-G449 VanDerWaalsContact C-N 3.34Å; P447-G449 PolarHBondContact O-N 3.26Å; G449-L452 PolarHBondContact O-N 3.41Å; G449-M453 WeakPolarHBondContact O-CB 3.49Å; G449-M453 PolarHBondContact O-N 3Å
450K82.3Confident74.1Confident82 Ų8281.7 Ų81.736%0.35746%0.456SS..Hα-helixtrans-62.9-41.6174-75.8-175.5-178.7174.60111.7P447 M453 E454P447-K450 PolarHBondContact O-N 2.9Å; K450-M453 PolarHBondContact O-N 2.87Å; K450-E454 PolarHBondContact O-N 2.9Å
451V88.2Confident76.4Confident92 Ų9277.8 Ų77.856%0.55844%0.437SS*.Hα-helixtrans-66.8-43178.6175.40000111.6P447 S448 M453 E454 T455P447-V451 WeakPolarHBondContact O-CG2 3.45Å; P447-V451 PolarHBondContact O-N 3.37Å; S448-V451 PolarHBondContact O-N 3.05Å; V451-M453 VanDerWaalsContact C-N 3.32Å; V451-M453 PolarHBondContact O-N 2.83Å; V451-E454 PolarHBondContact O-N 3.41Å; V451-T455 WeakPolarHBondContact O-CB 3.16Å; V451-T455 PolarHBondContact O-N 3.42Å; V451-T455 PolarHBondContact O-OG1 3.45Å
452L88.3Confident78.8Confident96 Ų9679.5 Ų79.550%0.50343%0.431SS..Hα-helixtrans-59.2-43.8174.8-79.3156.1000111.5S448 G449 T455 F456 L480S448-L452 WeakPolarHBondContact O-CD1 3.19Å; S448-L452 WeakPolarHBondContact O-CG 3.28Å; S448-L452 PolarHBondContact O-N 3.48Å; G449-L452 PolarHBondContact O-N 3.41Å; L452-T455 PolarHBondContact O-N 2.9Å; L452-F456 WeakPolarHBondContact O-CB 3.43Å; L452-F456 PolarHBondContact O-N 2.99Å; L452-L480 HydrophobicContact CB-CD2 4.08Å
453M89.1Confident81.1Confident1 Ų173.4 Ų73.41%0.00540%0.404CS..Hα-helixtrans-63.7-45.4177.4-173.261.8160.300112.3G449 K450 V451 T455 F456 L457 F476 L480 N485 R488 L489G449-M453 WeakPolarHBondContact O-CB 3.49Å; G449-M453 PolarHBondContact O-N 3Å; K450-M453 PolarHBondContact O-N 2.87Å; V451-M453 VanDerWaalsContact C-N 3.32Å; V451-M453 PolarHBondContact O-N 2.83Å; M453-T455 VanDerWaalsContact C-N 3.3Å; M453-T455 PolarHBondContact O-N 3.45Å; M453-F456 WeakPolarHBondContact O-CB 3.44Å; M453-F456 PolarHBondContact O-N 2.75Å; M453-L457 HydrophobicContact CG-CD1 4.37Å; M453-L457 WeakPolarHBondContact O-CG 3.35Å; M453-L457 PolarHBondContact O-N 2.94Å; M453-F476 HydrophobicContact CE-CE2 3.89Å; M453-F476 HydrophobicContact CE-CZ 4.43Å; M453-F476 HydrophobicContact SD-CE2 4.02Å; M453-L480 HydrophobicContact CB-CD2 4.44Å; M453-L480 HydrophobicContact SD-CD1 3.92Å; M453-N485 HydrophobicContact CE-CB 3.65Å; M453-N485 WeakPolarHBondContact CE-O 3.32Å; M453-N485 HydrophobicContact SD-CB 4.21Å; M453-R488 HydrophobicContact CE-CB 3.77Å; M453-L489 HydrophobicContact CE-CB 4.18Å
454E90.6Very high83.2Confident117 Ų11770.6 Ų70.655%0.54739%0.393SS..Hα-helixtrans-63.3-39.1177.6-168.563.4-164.100111.6K450 V451 L457 T458K450-E454 PolarHBondContact O-N 2.9Å; V451-E454 PolarHBondContact O-N 3.41Å; E454-L457 PolarHBondContact O-N 3.15Å; E454-T458 VanDerWaalsContact O-CG2 3.3Å; E454-T458 WeakPolarHBondContact O-CG2 3.44Å; E454-T458 PolarHBondContact O-N 3.34Å; E454-T458 PolarHBondContact O-OG1 2.94Å
455T92.9Very high85.2Confident76 Ų7672 Ų7247%0.46640%0.401SS..Hα-helixtrans-63.7-42174.8-52.40000111.1V451 L452 M453 T458 Q459V451-T455 WeakPolarHBondContact O-CB 3.16Å; V451-T455 PolarHBondContact O-N 3.42Å; V451-T455 PolarHBondContact O-OG1 3.45Å; L452-T455 PolarHBondContact O-N 2.9Å; M453-T455 VanDerWaalsContact C-N 3.3Å; M453-T455 PolarHBondContact O-N 3.45Å; T455-T458 WeakPolarHBondContact CA-OG1 3.49Å; T455-T458 PolarHBondContact O-N 3.22Å; T455-T458 PolarHBondContact O-OG1 3.15Å; T455-Q459 WeakPolarHBondContact O-CG 3.38Å; T455-Q459 PolarHBondContact O-N 3.03Å
456F94.9Very high87Confident18 Ų1869.2 Ų69.28%0.07938%0.379CS..Hα-helixtrans-63.1-47.2175.7-177.7-90.3000111.9L452 M453 T458 Q459 L460 A472 D475 F476 L480 L489 F510L452-F456 WeakPolarHBondContact O-CB 3.43Å; L452-F456 PolarHBondContact O-N 2.99Å; M453-F456 WeakPolarHBondContact O-CB 3.44Å; M453-F456 PolarHBondContact O-N 2.75Å; F456-T458 VanDerWaalsContact C-N 3.3Å; F456-T458 PolarHBondContact O-N 3.29Å; F456-Q459 PolarHBondContact O-N 3.03Å; F456-L460 HydrophobicContact CE1-CD1 4.2Å; F456-L460 HydrophobicContact CZ-CD1 4.31Å; F456-L460 PolarHBondContact O-N 3.24Å; F456-A472 HydrophobicContact CE2-CB 4.1Å; F456-A472 WeakPolarHBondContact CE2-O 3.14Å; F456-A472 HydrophobicContact CZ-CB 4.08Å; F456-A472 WeakPolarHBondContact CZ-O 3.38Å; F456-D475 HydrophobicContact CE2-CB 4.49Å; F456-F476 HydrophobicContact CD1-CD2 4.12Å; F456-F476 HydrophobicContact CE1-CB 4.4Å; F456-F476 AromaticContact CE1-CD2 3.73Å; F456-F476 HydrophobicContact CE1-CD2 3.73Å; F456-F476 HydrophobicContact CE1-CG 4.46Å; F456-F476 HydrophobicContact CE2-CB 4.18Å; F456-F476 HydrophobicContact CZ-CB 3.82Å; F456-F476 HydrophobicContact CZ-CD2 4.02Å; F456-F476 HydrophobicContact CZ-CG 4.36Å; F456-L480 HydrophobicContact CB-CD1 3.66Å; F456-L480 HydrophobicContact CD1-CD1 4.29Å; F456-L480 HydrophobicContact CD2-CD1 4.07Å; F456-L480 HydrophobicContact CG-CD1 3.74Å; F456-L489 HydrophobicContact CE1-CD1 4.44Å; F456-F510 HydrophobicContact CE1-CZ 4.07Å; F456-F510 HydrophobicContact CZ-CE2 4.01Å; F456-F510 AromaticContact CZ-CZ 3.85Å; F456-F510 HydrophobicContact CZ-CZ 3.85Å
457L93.1Very high88.6Confident35 Ų3568 Ų6818%0.18337%0.372CS..Hα-helixtrans-65.2-31.5-179.6-68.2-178.9000113.2M453 E454 P461 L489 A492M453-L457 HydrophobicContact CG-CD1 4.37Å; M453-L457 WeakPolarHBondContact O-CG 3.35Å; M453-L457 PolarHBondContact O-N 2.94Å; E454-L457 PolarHBondContact O-N 3.15Å; L457-P461 VanDerWaalsContact O-CD 3.31Å; L457-P461 WeakPolarHBondContact O-CD 3.37Å; L457-L489 HydrophobicContact CD2-CD1 4.19Å; L457-A492 HydrophobicContact CD1-CB 4.16Å; L457-A492 HydrophobicContact CD2-CB 3.57Å; L457-A492 HydrophobicContact CG-CB 4.42Å
458T92.1Very high89.7Confident78 Ų7866.4 Ų66.448%0.47936%0.358SS..Hα-helixtrans-75.4-27.2175.650.20000113.1E454 T455 F456E454-T458 VanDerWaalsContact O-CG2 3.3Å; E454-T458 WeakPolarHBondContact O-CG2 3.44Å; E454-T458 PolarHBondContact O-N 3.34Å; E454-T458 PolarHBondContact O-OG1 2.94Å; T455-T458 WeakPolarHBondContact CA-OG1 3.49Å; T455-T458 PolarHBondContact O-N 3.22Å; T455-T458 PolarHBondContact O-OG1 3.15Å; F456-T458 VanDerWaalsContact C-N 3.3Å; F456-T458 PolarHBondContact O-N 3.29Å
459Q93.1Very high90.7Very high109 Ų10962.6 Ų62.651%0.50933%0.331SS..Hα-helixtrans-83.8-26.4175-67.1-61.9-14.100113.4T455 F456 P461 N462T455-Q459 WeakPolarHBondContact O-CG 3.38Å; T455-Q459 PolarHBondContact O-N 3.03Å; F456-Q459 PolarHBondContact O-N 3.03Å; Q459-P461 VanDerWaalsContact C-CD 3.48Å; Q459-N462 WeakPolarHBondContact O-CA 3.32Å; Q459-N462 VanDerWaalsContact O-CB 3.32Å; Q459-N462 WeakPolarHBondContact O-CB 3.39Å; Q459-N462 PolarHBondContact O-N 2.92Å; Q459-N462 PolarHBondContact OE1-ND2 3.32Å
460L92.6Very high91.6Very high4 Ų462.2 Ų62.22%0.02132%0.323CS..G310 helixtrans-53.7-41.1-175.9-17067.9000114.8F456 N462 C463 I469 L489 L493 Y507 F510F456-L460 HydrophobicContact CE1-CD1 4.2Å; F456-L460 HydrophobicContact CZ-CD1 4.31Å; F456-L460 PolarHBondContact O-N 3.24Å; L460-N462 PolarHBondContact O-N 3.46Å; L460-N462 VanDerWaalsContact O-N 3.14Å; L460-C463 WeakPolarHBondContact O-CB 3.48Å; L460-C463 PolarHBondContact O-N 3.02Å; L460-C463 VanDerWaalsContact O-N 3.09Å; L460-I469 HydrophobicContact CD1-CD1 3.97Å; L460-L489 HydrophobicContact CD2-CD1 4.28Å; L460-L493 HydrophobicContact CD2-CD2 3.82Å; L460-Y507 HydrophobicContact CD2-CE1 4.27Å; L460-Y507 HydrophobicContact CG-CE1 3.91Å; L460-F510 HydrophobicContact CD1-CD2 4.41Å; L460-F510 HydrophobicContact CD1-CE2 4.23Å
461P93.3Very high92.1Very high41 Ų4166.3 Ų66.327%0.26634%0.336SS..G310 helixtrans-64.3-15175.5-21.933.9000114.6L457 Q459 L503 Y507L457-P461 VanDerWaalsContact O-CD 3.31Å; L457-P461 WeakPolarHBondContact O-CD 3.37Å; Q459-P461 VanDerWaalsContact C-CD 3.48Å; P461-L503 HydrophobicContact CB-CD1 4.17Å; P461-L503 WeakPolarHBondContact O-CD2 3.29Å; P461-Y507 WeakPolarHBondContact CA-OH 3.36Å
462N92.7Very high92.5Very high99 Ų9962.3 Ų62.353%0.52931%0.313SS..G310 helixtrans-90.1-6.2177.5-56.8-36.5000112.3Q459 L460 I464Q459-N462 WeakPolarHBondContact O-CA 3.32Å; Q459-N462 VanDerWaalsContact O-CB 3.32Å; Q459-N462 WeakPolarHBondContact O-CB 3.39Å; Q459-N462 PolarHBondContact O-N 2.92Å; Q459-N462 PolarHBondContact OE1-ND2 3.32Å; L460-N462 PolarHBondContact O-N 3.46Å; L460-N462 VanDerWaalsContact O-N 3.14Å; N462-I464 PolarHBondContact O-N 2.87Å
463C92.6Very high92.7Very high17 Ų1757.8 Ų57.812%0.11529%0.289CS..  trans-80.360.8177.9-63.60000112.1L460 N465 L468 I469L460-C463 WeakPolarHBondContact O-CB 3.48Å; L460-C463 PolarHBondContact O-N 3.02Å; L460-C463 VanDerWaalsContact O-N 3.09Å; C463-N465 VanDerWaalsContact C-N 3.32Å; C463-N465 PolarHBondContact O-N 3.44Å; C463-L468 HydrophobicContact CB-CB 4.18Å; C463-I469 HydrophobicContact CB-CB 4.29Å; C463-I469 HydrophobicContact CB-CD1 3.66Å
464I90.5Very high92.9Very high96 Ų9659.5 Ų59.549%0.49230%0.298SS..  trans-90.221.2-173.860.7167.4000114.5N462 L503 F506N462-I464 PolarHBondContact O-N 2.87Å; I464-L503 HydrophobicContact CG2-CD2 3.91Å; I464-F506 VanDerWaalsContact C-CZ 3.43Å; I464-F506 HydrophobicContact CB-CE2 4.36Å; I464-F506 WeakPolarHBondContact O-CZ 3.48Å
465N90.1Very high92.9Very high68 Ų6857 Ų5736%0.36429%0.288SS..SBendtrans-139.8162.4174.274.325.4000110.4C463 D467 L468 I469C463-N465 VanDerWaalsContact C-N 3.32Å; C463-N465 PolarHBondContact O-N 3.44Å; N465-D467 PolarHBondContact O-N 3.46Å; N465-D467 PolarHBondContact OD1-N 3.08Å; N465-L468 VanDerWaalsContact ND2-CD1 3.33Å; N465-L468 WeakPolarHBondContact ND2-CD1 3.31Å; N465-L468 WeakPolarHBondContact ND2-CG 3.36Å; N465-L468 PolarHBondContact O-N 3.44Å; N465-L468 WeakPolarHBondContact OD1-CA 3.38Å; N465-L468 WeakPolarHBondContact OD1-CB 3.23Å; N465-L468 WeakPolarHBondContact OD1-CD1 3.45Å; N465-L468 WeakPolarHBondContact OD1-CG 3.46Å; N465-L468 PolarHBondContact OD1-N 2.76Å; N465-I469 WeakPolarHBondContact O-CG2 3.48Å; N465-I469 PolarHBondContact O-N 2.82Å; N465-I469 VanDerWaalsContact O-N 3.12Å
466R90.6Very high93Very high109 Ų10953.4 Ų53.441%0.41127%0.266SS..Hα-helixtrans-56-48.1-177.3-169.2-175.972.3-179.91.1112.1I469 D470R466-I469 WeakPolarHBondContact O-CG2 3.49Å; R466-D470 WeakPolarHBondContact O-CB 3.25Å; R466-D470 PolarHBondContact O-N 3.24Å; R466-D470 VanDerWaalsContact O-N 3.08Å
467D91.7Very high92.7Very high83 Ų8352.6 Ų52.644%0.44426%0.263SS..Hα-helixtrans-71.9-34.7-173.4-58.2-29.8000112.7N465 R471N465-D467 PolarHBondContact O-N 3.46Å; N465-D467 PolarHBondContact OD1-N 3.08Å; D467-R471 VanDerWaalsContact O-CB 3.27Å; D467-R471 WeakPolarHBondContact O-CB 3.2Å; D467-R471 WeakPolarHBondContact O-CD 3.43Å; D467-R471 WeakPolarHBondContact O-CG 3.44Å; D467-R471 PolarHBondContact O-N 3.07Å
468L95Very high92.5Very high66 Ų6654.4 Ų54.435%0.34627%0.272SS..Hα-helixtrans-71.2-42.3178.2-69.9173.3000111C463 N465 R471 A472C463-L468 HydrophobicContact CB-CB 4.18Å; N465-L468 VanDerWaalsContact ND2-CD1 3.33Å; N465-L468 WeakPolarHBondContact ND2-CD1 3.31Å; N465-L468 WeakPolarHBondContact ND2-CG 3.36Å; N465-L468 PolarHBondContact O-N 3.44Å; N465-L468 WeakPolarHBondContact OD1-CA 3.38Å; N465-L468 WeakPolarHBondContact OD1-CB 3.23Å; N465-L468 WeakPolarHBondContact OD1-CD1 3.45Å; N465-L468 WeakPolarHBondContact OD1-CG 3.46Å; N465-L468 PolarHBondContact OD1-N 2.76Å; L468-R471 PolarHBondContact O-N 3.15Å; L468-A472 WeakPolarHBondContact O-CB 3.37Å; L468-A472 PolarHBondContact O-N 3.3Å
469I95.7Very high92.3Very high0 Ų056.1 Ų56.10%028%0.278CS..Hα-helixtrans-70.4-37.9179.8-160.167.6000111.5L460 C463 N465 R466 A472 A473 F506 R509 F510L460-I469 HydrophobicContact CD1-CD1 3.97Å; C463-I469 HydrophobicContact CB-CB 4.29Å; C463-I469 HydrophobicContact CB-CD1 3.66Å; N465-I469 WeakPolarHBondContact O-CG2 3.48Å; N465-I469 PolarHBondContact O-N 2.82Å; N465-I469 VanDerWaalsContact O-N 3.12Å; R466-I469 WeakPolarHBondContact O-CG2 3.49Å; I469-A472 PolarHBondContact O-N 3.03Å; I469-A473 PolarHBondContact O-N 3.16Å; I469-F506 HydrophobicContact CD1-CB 4.36Å; I469-F506 HydrophobicContact CG1-CB 4.2Å; I469-F506 WeakPolarHBondContact CG1-O 3.37Å; I469-F506 HydrophobicContact CG2-CD1 4.34Å; I469-R509 HydrophobicContact CG2-CG 4.43Å; I469-F510 HydrophobicContact CD1-CB 4.02Å; I469-F510 HydrophobicContact CD1-CD2 3.91Å; I469-F510 HydrophobicContact CD1-CG 4.27Å; I469-F510 HydrophobicContact CG1-CB 3.83Å; I469-F510 HydrophobicContact CG1-CD2 4.06Å; I469-F510 HydrophobicContact CG1-CG 4.4Å
470D94Very high92.1Very high19 Ų1951.2 Ų51.210%0.10226%0.256CS..Hα-helixtrans-66.3-42.1175.1-68.4-7000111.2P359 R466 A472 A473 I474 R509P359-D470 HydrophobicContact CG-CB 4.07Å; R466-D470 WeakPolarHBondContact O-CB 3.25Å; R466-D470 PolarHBondContact O-N 3.24Å; R466-D470 VanDerWaalsContact O-N 3.08Å; D470-A472 VanDerWaalsContact C-N 3.33Å; D470-A472 PolarHBondContact O-N 3Å; D470-A473 WeakPolarHBondContact O-CB 3.36Å; D470-A473 PolarHBondContact O-N 3.4Å; D470-I474 WeakPolarHBondContact O-CG1 3.46Å; D470-I474 PolarHBondContact O-N 3.08Å; D470-I474 VanDerWaalsContact O-N 3.08Å; D470-R509 IonicContact OD1-CZ 2.64Å; D470-R509 IonicContact OD1-NE 3.62Å; D470-R509 PolarHBondContact OD1-NE 3.47Å; D470-R509 IonicContact OD1-NH2 3.48Å; D470-R509 PolarHBondContact OD1-NH2 2.97Å; D470-R509 IonicContact OD2-CZ 2.85Å; D470-R509 IonicContact OD2-NE 2.61Å; D470-R509 IonicContact OD2-NH2 3.71Å; D470-R509 PolarHBondContact OD2-NH2 3.31Å
471R94Very high91.9Very high168 Ų16852.5 Ų52.563%0.63426%0.263SS*.Hα-helixtrans-61-41.5172.8-77.2170.5-172.91775.2112D467 L468 A473 I474 D475D467-R471 VanDerWaalsContact O-CB 3.27Å; D467-R471 WeakPolarHBondContact O-CB 3.2Å; D467-R471 WeakPolarHBondContact O-CD 3.43Å; D467-R471 WeakPolarHBondContact O-CG 3.44Å; D467-R471 PolarHBondContact O-N 3.07Å; L468-R471 PolarHBondContact O-N 3.15Å; R471-A473 VanDerWaalsContact C-N 3.3Å; R471-A473 PolarHBondContact O-N 2.67Å; R471-I474 PolarHBondContact O-N 2.72Å; R471-D475 WeakPolarHBondContact O-CB 3.4Å; R471-D475 PolarHBondContact O-N 3.24Å
472A94.8Very high91.7Very high9 Ų955.8 Ų55.87%0.07427%0.273CS..Hα-helixtrans-63.1-37.5175.800000111.6F456 L468 I469 D470 D475 F476 F510F456-A472 HydrophobicContact CE2-CB 4.1Å; F456-A472 WeakPolarHBondContact CE2-O 3.14Å; F456-A472 HydrophobicContact CZ-CB 4.08Å; F456-A472 WeakPolarHBondContact CZ-O 3.38Å; L468-A472 WeakPolarHBondContact O-CB 3.37Å; L468-A472 PolarHBondContact O-N 3.3Å; I469-A472 PolarHBondContact O-N 3.03Å; D470-A472 VanDerWaalsContact C-N 3.33Å; D470-A472 PolarHBondContact O-N 3Å; A472-D475 PolarHBondContact O-N 2.61Å; A472-F476 WeakPolarHBondContact O-CB 3.5Å; A472-F476 PolarHBondContact O-N 3.23Å; A472-F510 HydrophobicContact CB-CE2 4.09Å
473A94.2Very high91.4Very high0 Ų058.7 Ų58.70%028%0.276CS..Hα-helixtrans-65-41.4177.300000111.6I361 I469 D470 R471 C477 F510 L514I361-A473 HydrophobicContact CD1-CB 4.04Å; I469-A473 PolarHBondContact O-N 3.16Å; D470-A473 WeakPolarHBondContact O-CB 3.36Å; D470-A473 PolarHBondContact O-N 3.4Å; R471-A473 VanDerWaalsContact C-N 3.3Å; R471-A473 PolarHBondContact O-N 2.67Å; A473-C477 PolarHBondContact O-N 3.39Å; A473-C477 VanDerWaalsContact O-N 3.16Å; A473-C477 PolarHBondContact O-SG 3.2Å; A473-C477 VanDerWaalsContact O-SG 3.37Å; A473-F510 VanDerWaalsContact CA-CE2 3.41Å; A473-F510 HydrophobicContact CB-CD2 3.82Å; A473-F510 HydrophobicContact CB-CE2 3.85Å; A473-L514 HydrophobicContact CB-CD2 4.15Å; A473-L514 HydrophobicContact CB-CG 4.34Å
474I91.8Very high91.2Very high38 Ų3859.5 Ų59.520%0.19528%0.284CS..Hα-helixtrans-65.5-46.5175.1-63.5164000110.7M364 V365 D470 R471 F476 C477 L478M364-I474 HydrophobicContact SD-CD1 3.57Å; M364-I474 VanDerWaalsContact SD-CD1 3.57Å; M364-I474 HydrophobicContact SD-CG1 4.35Å; V365-I474 HydrophobicContact CG2-CG2 4.36Å; D470-I474 WeakPolarHBondContact O-CG1 3.46Å; D470-I474 PolarHBondContact O-N 3.08Å; D470-I474 VanDerWaalsContact O-N 3.08Å; R471-I474 PolarHBondContact O-N 2.72Å; I474-F476 VanDerWaalsContact C-N 3.32Å; I474-F476 PolarHBondContact O-N 3.41Å; I474-C477 WeakPolarHBondContact O-CB 3.47Å; I474-C477 PolarHBondContact O-N 3.09Å; I474-L478 HydrophobicContact CG2-CD1 3.83Å; I474-L478 HydrophobicContact CG2-CG 4.38Å; I474-L478 WeakPolarHBondContact O-CG 3.42Å; I474-L478 PolarHBondContact O-N 3.2Å
475D92.1Very high91.3Very high64 Ų6455.4 Ų55.434%0.34226%0.263SS..Hα-helixtrans-59.1-42.7178.4-176.344.2000112F456 R471 A472 C477 L478 N479F456-D475 HydrophobicContact CE2-CB 4.49Å; R471-D475 WeakPolarHBondContact O-CB 3.4Å; R471-D475 PolarHBondContact O-N 3.24Å; A472-D475 PolarHBondContact O-N 2.61Å; D475-C477 PolarHBondContact O-N 3.06Å; D475-L478 PolarHBondContact O-N 3.37Å; D475-N479 WeakPolarHBondContact O-CB 3.44Å; D475-N479 PolarHBondContact O-N 3.32Å; D475-N479 PolarHBondContact OD1-ND2 3.39Å
476F93.4Very high91.5Very high0 Ų052.8 Ų52.80%025%0.248CC..Hα-helixtrans-60.5-44.6175.3-171.7-92000112.2M453 F456 A472 I474 L478 L480 N481 N485 R486 L489 F510 L514 M518M453-F476 HydrophobicContact CE-CE2 3.89Å; M453-F476 HydrophobicContact CE-CZ 4.43Å; M453-F476 HydrophobicContact SD-CE2 4.02Å; F456-F476 HydrophobicContact CD1-CD2 4.12Å; F456-F476 HydrophobicContact CE1-CB 4.4Å; F456-F476 AromaticContact CE1-CD2 3.73Å; F456-F476 HydrophobicContact CE1-CD2 3.73Å; F456-F476 HydrophobicContact CE1-CG 4.46Å; F456-F476 HydrophobicContact CE2-CB 4.18Å; F456-F476 HydrophobicContact CZ-CB 3.82Å; F456-F476 HydrophobicContact CZ-CD2 4.02Å; F456-F476 HydrophobicContact CZ-CG 4.36Å; A472-F476 WeakPolarHBondContact O-CB 3.5Å; A472-F476 PolarHBondContact O-N 3.23Å; I474-F476 VanDerWaalsContact C-N 3.32Å; I474-F476 PolarHBondContact O-N 3.41Å; F476-L478 VanDerWaalsContact C-N 3.33Å; F476-L478 PolarHBondContact O-N 2.77Å; F476-L480 HydrophobicContact CD2-CB 3.77Å; F476-L480 HydrophobicContact CD2-CD1 4.06Å; F476-L480 HydrophobicContact CE2-CB 3.81Å; F476-L480 HydrophobicContact CE2-CD1 4.42Å; F476-L480 HydrophobicContact CG-CB 4.33Å; F476-L480 HydrophobicContact CZ-CB 4.39Å; F476-L480 CarbonylContact O-C 3.4Å; F476-L480 WeakPolarHBondContact O-CA 3.47Å; F476-L480 PolarHBondContact O-N 3.25Å; F476-N481 PolarHBondContact O-N 3.05Å; F476-N481 VanDerWaalsContact O-N 3.16Å; F476-N485 HydrophobicContact CZ-CB 4.33Å; F476-R486 HydrophobicContact CE1-CG 4.15Å; F476-R486 HydrophobicContact CZ-CG 4.38Å; F476-L489 HydrophobicContact CD1-CD2 4.09Å; F476-L489 HydrophobicContact CD2-CD2 4.15Å; F476-L489 HydrophobicContact CE1-CD2 3.64Å; F476-L489 HydrophobicContact CE2-CB 4.2Å; F476-L489 HydrophobicContact CE2-CD2 3.71Å; F476-L489 HydrophobicContact CE2-CG 4.37Å; F476-L489 HydrophobicContact CG-CD2 4.33Å; F476-L489 HydrophobicContact CZ-CB 4.11Å; F476-L489 HydrophobicContact CZ-CD2 3.44Å; F476-L489 VanDerWaalsContact CZ-CD2 3.44Å; F476-L489 HydrophobicContact CZ-CG 4.35Å; F476-F510 HydrophobicContact CB-CZ 4.21Å; F476-F510 HydrophobicContact CG-CZ 4.4Å; F476-L514 HydrophobicContact CD1-CD1 4.31Å; F476-M518 HydrophobicContact CD1-CE 3.97Å; F476-M518 HydrophobicContact CD1-SD 4.28Å; F476-M518 HydrophobicContact CE1-CE 3.95Å; F476-M518 HydrophobicContact CE1-SD 3.93Å
477C89.9Confident91.5Very high1 Ų150.9 Ų50.91%0.00724%0.241CC..Hα-helixtrans-62.5-38.6176.9-750000112.9I361 V365 A473 I474 D475 L514I361-C477 HydrophobicContact CG2-CB 4.32Å; V365-C477 HydrophobicContact CG1-CB 4.24Å; V365-C477 HydrophobicContact CG2-CB 3.96Å; A473-C477 PolarHBondContact O-N 3.39Å; A473-C477 VanDerWaalsContact O-N 3.16Å; A473-C477 PolarHBondContact O-SG 3.2Å; A473-C477 VanDerWaalsContact O-SG 3.37Å; I474-C477 WeakPolarHBondContact O-CB 3.47Å; I474-C477 PolarHBondContact O-N 3.09Å; D475-C477 PolarHBondContact O-N 3.06Å; C477-L514 WeakPolarHBondContact SG-CD2 3.42Å
478L87.9Confident91.6Very high74 Ų7451.3 Ų51.339%0.38724%0.236SC..Hα-helixtrans-74.5-42.8-178-70.9170.1000112.6V365 L369 I474 D475 F476V365-L478 HydrophobicContact CG1-CD2 4.05Å; V365-L478 HydrophobicContact CG2-CD2 4.32Å; V365-L478 HydrophobicContact CG2-CG 4.4Å; L369-L478 HydrophobicContact CD1-CD2 3.87Å; I474-L478 HydrophobicContact CG2-CD1 3.83Å; I474-L478 HydrophobicContact CG2-CG 4.38Å; I474-L478 WeakPolarHBondContact O-CG 3.42Å; I474-L478 PolarHBondContact O-N 3.2Å; D475-L478 PolarHBondContact O-N 3.37Å; F476-L478 VanDerWaalsContact C-N 3.33Å; F476-L478 PolarHBondContact O-N 2.77Å
479N88.2Confident91.5Very high113 Ų11348.2 Ų48.260%0.60422%0.22SC*.Hα-helixtrans-111.2-24.7-164.4-66.4-37.2000114.3D475D475-N479 WeakPolarHBondContact O-CB 3.44Å; D475-N479 PolarHBondContact O-N 3.32Å; D475-N479 PolarHBondContact OD1-ND2 3.39Å
480L89.2Confident91.5Very high7 Ų748.2 Ų48.24%0.03722%0.22CC..THydrogen-bonded Turntrans-128.54.6-165.1-63174.5000114.9L452 M453 F456 F476 K482 N485L452-L480 HydrophobicContact CB-CD2 4.08Å; M453-L480 HydrophobicContact CB-CD2 4.44Å; M453-L480 HydrophobicContact SD-CD1 3.92Å; F456-L480 HydrophobicContact CB-CD1 3.66Å; F456-L480 HydrophobicContact CD1-CD1 4.29Å; F456-L480 HydrophobicContact CD2-CD1 4.07Å; F456-L480 HydrophobicContact CG-CD1 3.74Å; F476-L480 HydrophobicContact CD2-CB 3.77Å; F476-L480 HydrophobicContact CD2-CD1 4.06Å; F476-L480 HydrophobicContact CE2-CB 3.81Å; F476-L480 HydrophobicContact CE2-CD1 4.42Å; F476-L480 HydrophobicContact CG-CB 4.33Å; F476-L480 HydrophobicContact CZ-CB 4.39Å; F476-L480 CarbonylContact O-C 3.4Å; F476-L480 WeakPolarHBondContact O-CA 3.47Å; F476-L480 PolarHBondContact O-N 3.25Å; L480-K482 VanDerWaalsContact C-N 3.35Å; L480-K482 PolarHBondContact O-N 3.41Å; L480-N485 WeakPolarHBondContact O-CB 3.47Å; L480-N485 PolarHBondContact O-ND2 3.41Å
481N88.6Confident91.5Very high31 Ų3150.8 Ų50.817%0.16623%0.23CC..  trans-69.683.2-177.7-170.617.3000113.4L369 S373 F476L369-N481 PolarHBondContact O-ND2 3.1Å; S373-N481 PolarHBondContact OG-ND2 3.42Å; F476-N481 PolarHBondContact O-N 3.05Å; F476-N481 VanDerWaalsContact O-N 3.16Å
482K88.8Confident91.4Very high109 Ų10944.5 Ų44.547%0.47421%0.214SC..  trans-130.6153.6169.6-67.4-171.8176-171.10110.3L480 A484 N485 R486L480-K482 VanDerWaalsContact C-N 3.35Å; L480-K482 PolarHBondContact O-N 3.41Å; K482-A484 PolarHBondContact O-N 3Å; K482-N485 HydrophobicContact CB-CB 4.32Å; K482-N485 PolarHBondContact O-N 3.37Å; K482-N485 VanDerWaalsContact O-N 3.11Å; K482-R486 PolarHBondContact O-N 3.05Å
483R87.2Confident91.4Very high161 Ų16144 Ų4461%0.60821%0.211SC*.Hα-helixtrans-55.4-46.5179.7-167.2179.6-165.4178.75.6112.8N485 R486 R487R483-N485 VanDerWaalsContact C-N 3.34Å; R483-N485 PolarHBondContact O-N 2.93Å; R483-R486 PolarHBondContact O-N 3.45Å; R483-R487 PolarHBondContact O-N 3.47Å
484A87.2Confident91.4Very high33 Ų3344.2 Ų44.227%0.27321%0.211SC..Hα-helixtrans-61.7-41.2176.800000112.2K482 R487 R488K482-A484 PolarHBondContact O-N 3Å; A484-R487 PolarHBondContact O-N 2.7Å; A484-R488 WeakPolarHBondContact O-CG 3.49Å; A484-R488 PolarHBondContact O-N 2.91Å
485N92.1Very high91.4Very high10 Ų1047.3 Ų47.35%0.05323%0.228CC..Hα-helixtrans-67.5-42.3177.8-73.8-14.5000112.5M453 F476 L480 K482 R483 R487 R488 L489M453-N485 HydrophobicContact CE-CB 3.65Å; M453-N485 WeakPolarHBondContact CE-O 3.32Å; M453-N485 HydrophobicContact SD-CB 4.21Å; F476-N485 HydrophobicContact CZ-CB 4.33Å; L480-N485 WeakPolarHBondContact O-CB 3.47Å; L480-N485 PolarHBondContact O-ND2 3.41Å; K482-N485 HydrophobicContact CB-CB 4.32Å; K482-N485 PolarHBondContact O-N 3.37Å; K482-N485 VanDerWaalsContact O-N 3.11Å; R483-N485 VanDerWaalsContact C-N 3.34Å; R483-N485 PolarHBondContact O-N 2.93Å; N485-R487 VanDerWaalsContact C-N 3.3Å; N485-R487 PolarHBondContact O-N 3.41Å; N485-R488 WeakPolarHBondContact O-CB 3.43Å; N485-R488 PolarHBondContact O-N 2.9Å; N485-R488 VanDerWaalsContact O-N 3.12Å; N485-L489 WeakPolarHBondContact O-CB 2.99Å; N485-L489 PolarHBondContact O-N 3.33Å
486R94.1Very high91.3Very high14 Ų1444.6 Ų44.65%0.05321%0.214CC..Hα-helixtrans-58.5-40.7175.3-73.5-178.5-73.2172-5.3112.1S373 F476 K482 R483 L489 A490 M518 D520S373-R486 VanDerWaalsContact CB-CZ 3.43Å; F476-R486 HydrophobicContact CE1-CG 4.15Å; F476-R486 HydrophobicContact CZ-CG 4.38Å; K482-R486 PolarHBondContact O-N 3.05Å; R483-R486 PolarHBondContact O-N 3.45Å; R486-L489 WeakPolarHBondContact O-CB 3.47Å; R486-L489 PolarHBondContact O-N 3.46Å; R486-A490 WeakPolarHBondContact O-CB 3.39Å; R486-A490 PolarHBondContact O-N 2.91Å; R486-M518 HydrophobicContact CG-SD 3.87Å; R486-D520 IonicContact CZ-OD1 3.02Å; R486-D520 IonicContact CZ-OD2 3.75Å; R486-D520 IonicContact NE-OD1 2.84Å; R486-D520 IonicContact NE-OD2 3.97Å; R486-D520 PolarHBondContact NE-OD2 3.47Å; R486-D520 IonicContact NH1-OD1 3.03Å; R486-D520 PolarHBondContact NH1-OD1 3.15Å; R486-D520 IonicContact NH1-OD2 2.73Å; R486-D520 PolarHBondContact NH1-OD2 3.47Å; R486-D520 IonicContact NH2-OD2 2.66Å
487R90.6Very high91.3Very high69 Ų6948.1 Ų48.126%0.2624%0.237SC..Hα-helixtrans-65.3-40.8173.4-71.1179.5171.2172.5-1.4112.9L436 R483 A484 N485 L489 A490 K491L436-R487 HydrophobicContact CD2-CB 4.21Å; L436-R487 HydrophobicContact CD2-CG 3.74Å; R483-R487 PolarHBondContact O-N 3.47Å; A484-R487 PolarHBondContact O-N 2.7Å; N485-R487 VanDerWaalsContact C-N 3.3Å; N485-R487 PolarHBondContact O-N 3.41Å; R487-L489 VanDerWaalsContact C-N 3.33Å; R487-A490 PolarHBondContact O-N 3.09Å; R487-K491 WeakPolarHBondContact O-CG 3.41Å; R487-K491 PolarHBondContact O-N 3.32Å
488R93.7Very high91.1Very high92 Ų9253.6 Ų53.635%0.34726%0.257SS..Hα-helixtrans-63.3-41.5174.2-72.4177-177.8-147.8-3.3111.4M453 A484 N485 K491 A492M453-R488 HydrophobicContact CE-CB 3.77Å; A484-R488 WeakPolarHBondContact O-CG 3.49Å; A484-R488 PolarHBondContact O-N 2.91Å; N485-R488 WeakPolarHBondContact O-CB 3.43Å; N485-R488 PolarHBondContact O-N 2.9Å; N485-R488 VanDerWaalsContact O-N 3.12Å; R488-K491 PolarHBondContact O-N 2.75Å; R488-A492 WeakPolarHBondContact O-CB 3.4Å; R488-A492 PolarHBondContact O-N 3.47Å
489L94.9Very high91.1Very high0 Ų054.5 Ų54.50%027%0.266CS..Hα-helixtrans-62.4-47175.1176.364.7000111.2M453 F456 L457 L460 F476 N485 R486 R487 K491 A492 L493 F510 L514 L521M453-L489 HydrophobicContact CE-CB 4.18Å; F456-L489 HydrophobicContact CE1-CD1 4.44Å; L457-L489 HydrophobicContact CD2-CD1 4.19Å; L460-L489 HydrophobicContact CD2-CD1 4.28Å; F476-L489 HydrophobicContact CD1-CD2 4.09Å; F476-L489 HydrophobicContact CD2-CD2 4.15Å; F476-L489 HydrophobicContact CE1-CD2 3.64Å; F476-L489 HydrophobicContact CE2-CB 4.2Å; F476-L489 HydrophobicContact CE2-CD2 3.71Å; F476-L489 HydrophobicContact CE2-CG 4.37Å; F476-L489 HydrophobicContact CG-CD2 4.33Å; F476-L489 HydrophobicContact CZ-CB 4.11Å; F476-L489 HydrophobicContact CZ-CD2 3.44Å; F476-L489 VanDerWaalsContact CZ-CD2 3.44Å; F476-L489 HydrophobicContact CZ-CG 4.35Å; N485-L489 WeakPolarHBondContact O-CB 2.99Å; N485-L489 PolarHBondContact O-N 3.33Å; R486-L489 WeakPolarHBondContact O-CB 3.47Å; R486-L489 PolarHBondContact O-N 3.46Å; R487-L489 VanDerWaalsContact C-N 3.33Å; L489-K491 VanDerWaalsContact C-N 3.3Å; L489-K491 PolarHBondContact O-N 3.19Å; L489-A492 PolarHBondContact O-N 3.35Å; L489-A492 VanDerWaalsContact O-N 3.09Å; L489-L493 HydrophobicContact CD1-CD1 3.96Å; L489-L493 HydrophobicContact CD1-CG 4.01Å; L489-L493 HydrophobicContact CG-CD1 3.87Å; L489-L493 HydrophobicContact CG-CG 4.33Å; L489-L493 WeakPolarHBondContact O-CB 3.33Å; L489-L493 WeakPolarHBondContact O-CG 3.34Å; L489-L493 PolarHBondContact O-N 2.83Å; L489-F510 HydrophobicContact CD1-CE1 3.76Å; L489-F510 HydrophobicContact CD1-CZ 4.3Å; L489-F510 HydrophobicContact CD2-CE1 3.65Å; L489-F510 HydrophobicContact CD2-CZ 4.25Å; L489-F510 HydrophobicContact CG-CE1 4.15Å; L489-L514 HydrophobicContact CD2-CD1 4.17Å; L489-L521 HydrophobicContact CD2-CD1 4.25Å; L489-L521 HydrophobicContact CD2-CD2 3.83Å; L489-L521 HydrophobicContact CG-CD1 4.32Å
490A94Very high91.4Very high1 Ų153.7 Ų53.71%0.00825%0.254CS..Hα-helixtrans-55-46.2174.200000111.5R486 R487 A492 F494 L521 D524 I525R486-A490 WeakPolarHBondContact O-CB 3.39Å; R486-A490 PolarHBondContact O-N 2.91Å; R487-A490 PolarHBondContact O-N 3.09Å; A490-A492 PolarHBondContact O-N 2.91Å; A490-F494 WeakPolarHBondContact O-CB 3.39Å; A490-F494 PolarHBondContact O-N 3.08Å; A490-L521 HydrophobicContact CB-CD1 3.79Å; A490-D524 HydrophobicContact CB-CB 4.16Å; A490-I525 HydrophobicContact CB-CG1 4Å
491K93.9Very high91.5Very high73 Ų7356.9 Ų56.932%0.31727%0.267SS..Hα-helixtrans-62.9-39175.8-72.6179.1-179.3-178.50112.7R487 R488 L489 N495 M528R487-K491 WeakPolarHBondContact O-CG 3.41Å; R487-K491 PolarHBondContact O-N 3.32Å; R488-K491 PolarHBondContact O-N 2.75Å; L489-K491 VanDerWaalsContact C-N 3.3Å; L489-K491 PolarHBondContact O-N 3.19Å; K491-N495 WeakPolarHBondContact O-CB 3.48Å; K491-N495 PolarHBondContact O-N 2.96Å; K491-N495 VanDerWaalsContact O-N 3.08Å; K491-N495 PolarHBondContact O-ND2 3.38Å; K491-M528 HydrophobicContact CG-CE 4.36Å
492A93.5Very high91.7Very high35 Ų3559 Ų5929%0.28928%0.278SS..Hα-helixtrans-69.1-46.8178.400000111.9L457 R488 L489 A490 F494 N495L457-A492 HydrophobicContact CD1-CB 4.16Å; L457-A492 HydrophobicContact CD2-CB 3.57Å; L457-A492 HydrophobicContact CG-CB 4.42Å; R488-A492 WeakPolarHBondContact O-CB 3.4Å; R488-A492 PolarHBondContact O-N 3.47Å; L489-A492 PolarHBondContact O-N 3.35Å; L489-A492 VanDerWaalsContact O-N 3.09Å; A490-A492 PolarHBondContact O-N 2.91Å; A492-F494 VanDerWaalsContact C-N 3.28Å; A492-F494 PolarHBondContact O-N 3.08Å; A492-N495 PolarHBondContact O-N 2.86Å
493L94Very high92.1Very high0 Ų054 Ų540%026%0.256CS..Hα-helixtrans-63.4-33.3175.8-67.2173.1000112L460 L489 V496 Y507 F510 V511 I525 F554L460-L493 HydrophobicContact CD2-CD2 3.82Å; L489-L493 HydrophobicContact CD1-CD1 3.96Å; L489-L493 HydrophobicContact CD1-CG 4.01Å; L489-L493 HydrophobicContact CG-CD1 3.87Å; L489-L493 HydrophobicContact CG-CG 4.33Å; L489-L493 WeakPolarHBondContact O-CB 3.33Å; L489-L493 WeakPolarHBondContact O-CG 3.34Å; L489-L493 PolarHBondContact O-N 2.83Å; L493-V496 WeakPolarHBondContact O-CG2 3.47Å; L493-Y507 HydrophobicContact CD2-CD1 4.04Å; L493-Y507 HydrophobicContact CD2-CD2 3.66Å; L493-Y507 HydrophobicContact CD2-CE2 4.16Å; L493-Y507 HydrophobicContact CD2-CG 3.6Å; L493-F510 HydrophobicContact CD1-CD1 4.06Å; L493-F510 HydrophobicContact CD1-CE1 4.34Å; L493-F510 HydrophobicContact CD2-CD1 4.38Å; L493-V511 HydrophobicContact CD1-CG2 3.68Å; L493-I525 HydrophobicContact CB-CD1 4.32Å; L493-I525 HydrophobicContact CD1-CD1 3.79Å; L493-F554 WeakPolarHBondContact O-CE1 3.22Å
494F93.6Very high92.5Very high4 Ų446.5 Ų46.52%0.01823%0.228CC..Hα-helixtrans-71.8-38175.1175.4-96.2000113Y434 A490 A492 V496 M528 L529 E532 K550Y434-F494 HydrophobicContact CD1-CE1 4.43Å; Y434-F494 HydrophobicContact CE1-CD1 4.47Å; Y434-F494 AromaticContact CE1-CE1 3.76Å; Y434-F494 HydrophobicContact CE1-CE1 3.76Å; Y434-F494 HydrophobicContact CE1-CE2 4.07Å; Y434-F494 AromaticContact CE1-CZ 3.57Å; Y434-F494 HydrophobicContact CE1-CZ 3.57Å; Y434-F494 AromaticContact CE2-CE1 3.91Å; Y434-F494 HydrophobicContact CE2-CE1 3.91Å; Y434-F494 HydrophobicContact CE2-CZ 4.07Å; Y434-F494 AromaticContact CZ-CE1 3.52Å; Y434-F494 AromaticContact CZ-CZ 3.28Å; Y434-F494 WeakPolarHBondContact OH-CZ 3.36Å; A490-F494 WeakPolarHBondContact O-CB 3.39Å; A490-F494 PolarHBondContact O-N 3.08Å; A492-F494 VanDerWaalsContact C-N 3.28Å; A492-F494 PolarHBondContact O-N 3.08Å; F494-V496 PolarHBondContact O-N 2.84Å; F494-V496 VanDerWaalsContact O-N 3.15Å; F494-M528 HydrophobicContact CB-CE 3.63Å; F494-M528 HydrophobicContact CB-SD 4.42Å; F494-M528 HydrophobicContact CD1-CE 3.55Å; F494-M528 HydrophobicContact CD2-CB 3.86Å; F494-M528 HydrophobicContact CD2-CE 4.1Å; F494-M528 HydrophobicContact CE1-CE 4.31Å; F494-M528 HydrophobicContact CE2-CB 4.19Å; F494-M528 HydrophobicContact CG-CB 4.39Å; F494-M528 HydrophobicContact CG-CE 3.46Å; F494-M528 VanDerWaalsContact CG-CE 3.46Å; F494-L529 HydrophobicContact CD2-CD2 4Å; F494-L529 HydrophobicContact CD2-CG 4.42Å; F494-L529 HydrophobicContact CE2-CD2 4.05Å; F494-E532 HydrophobicContact CE2-CB 3.94Å; F494-E532 HydrophobicContact CE2-CG 4.31Å; F494-E532 HydrophobicContact CZ-CB 3.87Å; F494-E532 HydrophobicContact CZ-CG 3.88Å; F494-K550 PolarHBondContact O-NZ 2.73Å
495N92.2Very high92.8Very high102 Ų10246.2 Ų46.255%0.54522%0.224SC..THydrogen-bonded Turntrans-8737.3-176.5-71.9-51.6000113.5K491 A492K491-N495 WeakPolarHBondContact O-CB 3.48Å; K491-N495 PolarHBondContact O-N 2.96Å; K491-N495 VanDerWaalsContact O-N 3.08Å; K491-N495 PolarHBondContact O-ND2 3.38Å; A492-N495 PolarHBondContact O-N 2.86Å
496V91.2Very high93Very high8 Ų847.5 Ų47.55%0.04823%0.229CC..  trans-57.1136.5172-164.90000110.1L493 F494 R498 R500 L503 L504 Y507 K550L493-V496 WeakPolarHBondContact O-CG2 3.47Å; F494-V496 PolarHBondContact O-N 2.84Å; F494-V496 VanDerWaalsContact O-N 3.15Å; V496-R498 PolarHBondContact O-N 2.86Å; V496-R500 HydrophobicContact CG1-CB 4.46Å; V496-L503 HydrophobicContact CG1-CB 4.24Å; V496-L503 HydrophobicContact CG1-CD1 4.25Å; V496-L504 HydrophobicContact CB-CD2 4.28Å; V496-L504 HydrophobicContact CG1-CD2 4.21Å; V496-L504 HydrophobicContact CG2-CD2 4Å; V496-Y507 HydrophobicContact CG1-CE2 4.26Å; V496-Y507 HydrophobicContact CG2-CD2 3.58Å; V496-Y507 HydrophobicContact CG2-CE2 3.65Å; V496-K550 HydrophobicContact CB-CD 4.25Å; V496-K550 VanDerWaalsContact O-CD 3.28Å; V496-K550 WeakPolarHBondContact O-CD 3.36Å
497P91.4Very high93.2Very high74 Ų7447.4 Ų47.448%0.48123%0.228SC..  trans-51.4130.4170.8-26.734.7000111T499 R500P497-T499 PolarHBondContact O-N 3.5Å; P497-R500 HydrophobicContact CB-CB 4.29Å; P497-R500 HydrophobicContact CB-CG 4.1Å; P497-R500 HydrophobicContact CG-CG 4.49Å; P497-R500 PolarHBondContact O-N 3.33Å
498R86.8Confident93.4Very high116 Ų11644.1 Ų44.144%0.43822%0.216SC..THydrogen-bonded Turntrans-60.7-14.4-173.464.4-175.7-179.6-165.9-4115.2V496 Y501 N544 E546 S547V496-R498 PolarHBondContact O-N 2.86Å; R498-Y501 WeakPolarHBondContact O-CE1 3.47Å; R498-Y501 PolarHBondContact O-OH 3.32Å; R498-N544 PolarHBondContact NH1-OD1 2.83Å; R498-N544 VanDerWaalsContact NH1-OD1 3.16Å; R498-E546 HydrophobicContact CB-CB 4.14Å; R498-E546 WeakPolarHBondContact CD-OE2 3.42Å; R498-E546 HydrophobicContact CG-CB 4.15Å; R498-E546 WeakPolarHBondContact CG-OE2 3.47Å; R498-E546 IonicContact NE-OE2 2.66Å; R498-E546 PolarHBondContact NE-OE2 2.99Å; R498-S547 WeakPolarHBondContact CD-OG 3.32Å
499T87.6Confident93.5Very high92 Ų9239.9 Ų39.956%0.56420%0.2SC*.THydrogen-bonded Turntrans-98.4-11.9178.352.80000113.7P497 Y501P497-T499 PolarHBondContact O-N 3.5Å; T499-Y501 PolarHBondContact O-N 3.34Å
500R93.7Very high93.6Very high96 Ų9639.9 Ų39.936%0.36220%0.2SC..  trans-98.165.5-175.2-69.8-66.4-60.2-99.9-1.2111.8V496 P497 D502 L503V496-R500 HydrophobicContact CG1-CB 4.46Å; P497-R500 HydrophobicContact CB-CB 4.29Å; P497-R500 HydrophobicContact CB-CG 4.1Å; P497-R500 HydrophobicContact CG-CG 4.49Å; P497-R500 PolarHBondContact O-N 3.33Å; R500-D502 WeakPolarHBondContact CA-OD1 3.28Å; R500-D502 WeakPolarHBondContact CB-OD1 3.05Å; R500-D502 WeakPolarHBondContact CD-OD1 3.28Å; R500-D502 IonicContact CZ-OD1 3.68Å; R500-D502 IonicContact CZ-OD2 3.55Å; R500-D502 VanDerWaalsContact CZ-OD2 3.27Å; R500-D502 IonicContact NE-OD1 2.85Å; R500-D502 PolarHBondContact NE-OD1 3.36Å; R500-D502 IonicContact NE-OD2 3.91Å; R500-D502 PolarHBondContact NE-OD2 3.28Å; R500-D502 IonicContact NH2-OD2 3.4Å; R500-D502 PolarHBondContact NH2-OD2 2.9Å; R500-D502 PolarHBondContact O-N 3.46Å; R500-L503 HydrophobicContact CB-CD1 3.86Å; R500-L503 HydrophobicContact CB-CG 4.14Å; R500-L503 HydrophobicContact CG-CD1 4.38Å; R500-L503 PolarHBondContact O-N 3.46Å
501Y92.3Very high93.7Very high75 Ų7539.8 Ų39.829%0.29420%0.2SC..G310 helixtrans-66.1-25.1177-53.9-47.6000112.7R498 T499 L503 L504 K550R498-Y501 WeakPolarHBondContact O-CE1 3.47Å; R498-Y501 PolarHBondContact O-OH 3.32Å; T499-Y501 PolarHBondContact O-N 3.34Å; Y501-L503 PolarHBondContact O-N 2.45Å; Y501-L504 HydrophobicContact CD1-CD1 4.29Å; Y501-L504 WeakPolarHBondContact O-CG 2.93Å; Y501-L504 PolarHBondContact O-N 3.04Å; Y501-L504 VanDerWaalsContact O-N 3.16Å; Y501-K550 HydrophobicContact CE1-CB 4.3Å
502D93.5Very high93.8Very high75 Ų7536.5 Ų36.540%0.40119%0.186SC..G310 helixtrans-57.8-26.317661-57.8000113.3R500 F506R500-D502 WeakPolarHBondContact CA-OD1 3.28Å; R500-D502 WeakPolarHBondContact CB-OD1 3.05Å; R500-D502 WeakPolarHBondContact CD-OD1 3.28Å; R500-D502 IonicContact CZ-OD1 3.68Å; R500-D502 IonicContact CZ-OD2 3.55Å; R500-D502 VanDerWaalsContact CZ-OD2 3.27Å; R500-D502 IonicContact NE-OD1 2.85Å; R500-D502 PolarHBondContact NE-OD1 3.36Å; R500-D502 IonicContact NE-OD2 3.91Å; R500-D502 PolarHBondContact NE-OD2 3.28Å; R500-D502 IonicContact NH2-OD2 3.4Å; R500-D502 PolarHBondContact NH2-OD2 2.9Å; R500-D502 PolarHBondContact O-N 3.46Å; D502-F506 VanDerWaalsContact O-CD2 3.25Å; D502-F506 WeakPolarHBondContact O-CD2 3.44Å; D502-F506 WeakPolarHBondContact O-CE2 3.49Å
503L95.6Very high93.8Very high4 Ų435 Ų352%0.02117%0.173CC..G310 helixtrans-81.6-21.3180-63.1179.2000113.6P461 I464 V496 R500 Y501 F506 Y507P461-L503 HydrophobicContact CB-CD1 4.17Å; P461-L503 WeakPolarHBondContact O-CD2 3.29Å; I464-L503 HydrophobicContact CG2-CD2 3.91Å; V496-L503 HydrophobicContact CG1-CB 4.24Å; V496-L503 HydrophobicContact CG1-CD1 4.25Å; R500-L503 HydrophobicContact CB-CD1 3.86Å; R500-L503 HydrophobicContact CB-CG 4.14Å; R500-L503 HydrophobicContact CG-CD1 4.38Å; R500-L503 PolarHBondContact O-N 3.46Å; Y501-L503 PolarHBondContact O-N 2.45Å; L503-F506 PolarHBondContact O-N 2.78Å; L503-Y507 HydrophobicContact CB-CE1 4.35Å; L503-Y507 HydrophobicContact CB-CE2 4.35Å; L503-Y507 PolarHBondContact O-N 3.19Å
504L95.6Very high93.8Very high3 Ų335 Ų352%0.01617%0.173CC..Hα-helixtrans-62.2-44-171.6-56.3179.6000113.4V496 Y501 F506 Y507 A508 R553 F554 E557V496-L504 HydrophobicContact CB-CD2 4.28Å; V496-L504 HydrophobicContact CG1-CD2 4.21Å; V496-L504 HydrophobicContact CG2-CD2 4Å; Y501-L504 HydrophobicContact CD1-CD1 4.29Å; Y501-L504 WeakPolarHBondContact O-CG 2.93Å; Y501-L504 PolarHBondContact O-N 3.04Å; Y501-L504 VanDerWaalsContact O-N 3.16Å; L504-F506 VanDerWaalsContact C-N 3.33Å; L504-F506 PolarHBondContact O-N 2.94Å; L504-Y507 PolarHBondContact O-N 3.5Å; L504-A508 WeakPolarHBondContact O-CB 3.38Å; L504-A508 PolarHBondContact O-N 2.89Å; L504-R553 HydrophobicContact CD1-CB 3.71Å; L504-F554 HydrophobicContact CB-CD2 4.47Å; L504-F554 HydrophobicContact CD1-CB 4.28Å; L504-F554 HydrophobicContact CD2-CB 4.07Å; L504-F554 HydrophobicContact CD2-CD1 4.4Å; L504-F554 HydrophobicContact CD2-CD2 4.34Å; L504-F554 HydrophobicContact CD2-CG 4.05Å; L504-E557 HydrophobicContact CB-CG 4.03Å
505P95.1Very high93.8Very high28 Ų2835.7 Ų35.718%0.18218%0.18CC..Hα-helixtrans-62.6-39.5177.8-21.833.6000112.3F354 A508 R509 E557F354-P505 HydrophobicContact CE1-CB 3.95Å; F354-P505 HydrophobicContact CZ-CB 4.04Å; P505-A508 PolarHBondContact O-N 2.81Å; P505-R509 WeakPolarHBondContact O-CB 3.33Å; P505-R509 PolarHBondContact O-N 3.24Å; P505-E557 HydrophobicContact CG-CG 4.27Å
506F96.4Very high93.7Very high36 Ų3633.3 Ų33.316%0.15817%0.17CC..Hα-helixtrans-68.1-41.2177.5-59.5-70.1000111.5F354 I464 I469 D502 L503 L504 A508 R509 F510F354-F506 HydrophobicContact CE2-CD1 4.13Å; F354-F506 HydrophobicContact CE2-CE1 4.03Å; F354-F506 HydrophobicContact CZ-CD1 4.23Å; F354-F506 HydrophobicContact CZ-CE1 4.4Å; I464-F506 VanDerWaalsContact C-CZ 3.43Å; I464-F506 HydrophobicContact CB-CE2 4.36Å; I464-F506 WeakPolarHBondContact O-CZ 3.48Å; I469-F506 HydrophobicContact CD1-CB 4.36Å; I469-F506 HydrophobicContact CG1-CB 4.2Å; I469-F506 WeakPolarHBondContact CG1-O 3.37Å; I469-F506 HydrophobicContact CG2-CD1 4.34Å; D502-F506 VanDerWaalsContact O-CD2 3.25Å; D502-F506 WeakPolarHBondContact O-CD2 3.44Å; D502-F506 WeakPolarHBondContact O-CE2 3.49Å; L503-F506 PolarHBondContact O-N 2.78Å; L504-F506 VanDerWaalsContact C-N 3.33Å; L504-F506 PolarHBondContact O-N 2.94Å; F506-A508 VanDerWaalsContact C-N 3.35Å; F506-R509 PolarHBondContact O-N 3.07Å; F506-F510 WeakPolarHBondContact O-CB 3.44Å; F506-F510 PolarHBondContact O-N 3.4Å
507Y96.7Very high93.7Very high12 Ų1232.9 Ų32.95%0.04717%0.167CC..Hα-helixtrans-67.8-37.6177.1-73.78.6000111.6L460 P461 L493 V496 L503 L504 F510 V511L460-Y507 HydrophobicContact CD2-CE1 4.27Å; L460-Y507 HydrophobicContact CG-CE1 3.91Å; P461-Y507 WeakPolarHBondContact CA-OH 3.36Å; L493-Y507 HydrophobicContact CD2-CD1 4.04Å; L493-Y507 HydrophobicContact CD2-CD2 3.66Å; L493-Y507 HydrophobicContact CD2-CE2 4.16Å; L493-Y507 HydrophobicContact CD2-CG 3.6Å; V496-Y507 HydrophobicContact CG1-CE2 4.26Å; V496-Y507 HydrophobicContact CG2-CD2 3.58Å; V496-Y507 HydrophobicContact CG2-CE2 3.65Å; L503-Y507 HydrophobicContact CB-CE1 4.35Å; L503-Y507 HydrophobicContact CB-CE2 4.35Å; L503-Y507 PolarHBondContact O-N 3.19Å; L504-Y507 PolarHBondContact O-N 3.5Å; Y507-F510 WeakPolarHBondContact O-CB 3.37Å; Y507-F510 PolarHBondContact O-N 2.96Å; Y507-V511 VanDerWaalsContact O-CG2 3.28Å; Y507-V511 WeakPolarHBondContact O-CG2 3.36Å; Y507-V511 PolarHBondContact O-N 2.9Å
508A96.7Very high93.7Very high0 Ų029.4 Ų29.40%015%0.145CC..Hα-helixtrans-64.1-42.6172.100000111.5L504 P505 F506 F510 V511 A512 F554 E557 L558 F561L504-A508 WeakPolarHBondContact O-CB 3.38Å; L504-A508 PolarHBondContact O-N 2.89Å; P505-A508 PolarHBondContact O-N 2.81Å; F506-A508 VanDerWaalsContact C-N 3.35Å; A508-F510 VanDerWaalsContact C-N 3.34Å; A508-F510 PolarHBondContact O-N 3.4Å; A508-V511 PolarHBondContact O-N 3.45Å; A508-A512 WeakPolarHBondContact O-CB 3.18Å; A508-A512 PolarHBondContact O-N 3.27Å; A508-F554 HydrophobicContact CB-CE2 4.21Å; A508-E557 HydrophobicContact CB-CB 3.67Å; A508-L558 HydrophobicContact CB-CD2 3.9Å; A508-L558 HydrophobicContact CB-CG 4.27Å; A508-F561 HydrophobicContact CB-CD2 3.64Å; A508-F561 HydrophobicContact CB-CE2 3.72Å
509R95.8Very high93.9Very high3 Ų325.1 Ų25.11%0.01113%0.132CC..Hα-helixtrans-60.5-42.5173.4-173.4173.4169.691.61.8112.1F354 S357 L358 I469 D470 P505 F506 A512 S513 F561F354-R509 HydrophobicContact CZ-CB 4.1Å; F354-R509 PolarHBondContact O-NH1 3.07Å; S357-R509 PolarHBondContact O-NH1 3.02Å; S357-R509 PolarHBondContact O-NH2 2.78Å; L358-R509 HydrophobicContact CD2-CG 3.92Å; I469-R509 HydrophobicContact CG2-CG 4.43Å; D470-R509 IonicContact OD1-CZ 2.64Å; D470-R509 IonicContact OD1-NE 3.62Å; D470-R509 PolarHBondContact OD1-NE 3.47Å; D470-R509 IonicContact OD1-NH2 3.48Å; D470-R509 PolarHBondContact OD1-NH2 2.97Å; D470-R509 IonicContact OD2-CZ 2.85Å; D470-R509 IonicContact OD2-NE 2.61Å; D470-R509 IonicContact OD2-NH2 3.71Å; D470-R509 PolarHBondContact OD2-NH2 3.31Å; P505-R509 WeakPolarHBondContact O-CB 3.33Å; P505-R509 PolarHBondContact O-N 3.24Å; F506-R509 PolarHBondContact O-N 3.07Å; R509-A512 PolarHBondContact O-N 3.29Å; R509-S513 WeakPolarHBondContact O-CB 3.33Å; R509-S513 PolarHBondContact O-N 2.88Å; R509-S513 PolarHBondContact O-OG 2.9Å; R509-F561 VanDerWaalsContact CA-CZ 3.43Å; R509-F561 HydrophobicContact CB-CE1 3.99Å; R509-F561 HydrophobicContact CB-CE2 4.06Å; R509-F561 HydrophobicContact CB-CZ 3.45Å; R509-F561 VanDerWaalsContact CB-CZ 3.45Å; R509-F561 HydrophobicContact CG-CE1 4.05Å; R509-F561 HydrophobicContact CG-CZ 3.94Å
510F96.4Very high94.1Very high0 Ų021.4 Ų21.40%011%0.109CC..Hα-helixtrans-60.2-48.4177.2-175.5-96.8000111.1F456 L460 I469 A472 A473 F476 L489 L493 F506 Y507 A508 A512 S513 L514F456-F510 HydrophobicContact CE1-CZ 4.07Å; F456-F510 HydrophobicContact CZ-CE2 4.01Å; F456-F510 AromaticContact CZ-CZ 3.85Å; F456-F510 HydrophobicContact CZ-CZ 3.85Å; L460-F510 HydrophobicContact CD1-CD2 4.41Å; L460-F510 HydrophobicContact CD1-CE2 4.23Å; I469-F510 HydrophobicContact CD1-CB 4.02Å; I469-F510 HydrophobicContact CD1-CD2 3.91Å; I469-F510 HydrophobicContact CD1-CG 4.27Å; I469-F510 HydrophobicContact CG1-CB 3.83Å; I469-F510 HydrophobicContact CG1-CD2 4.06Å; I469-F510 HydrophobicContact CG1-CG 4.4Å; A472-F510 HydrophobicContact CB-CE2 4.09Å; A473-F510 VanDerWaalsContact CA-CE2 3.41Å; A473-F510 HydrophobicContact CB-CD2 3.82Å; A473-F510 HydrophobicContact CB-CE2 3.85Å; F476-F510 HydrophobicContact CB-CZ 4.21Å; F476-F510 HydrophobicContact CG-CZ 4.4Å; L489-F510 HydrophobicContact CD1-CE1 3.76Å; L489-F510 HydrophobicContact CD1-CZ 4.3Å; L489-F510 HydrophobicContact CD2-CE1 3.65Å; L489-F510 HydrophobicContact CD2-CZ 4.25Å; L489-F510 HydrophobicContact CG-CE1 4.15Å; L493-F510 HydrophobicContact CD1-CD1 4.06Å; L493-F510 HydrophobicContact CD1-CE1 4.34Å; L493-F510 HydrophobicContact CD2-CD1 4.38Å; F506-F510 WeakPolarHBondContact O-CB 3.44Å; F506-F510 PolarHBondContact O-N 3.4Å; Y507-F510 WeakPolarHBondContact O-CB 3.37Å; Y507-F510 PolarHBondContact O-N 2.96Å; A508-F510 VanDerWaalsContact C-N 3.34Å; A508-F510 PolarHBondContact O-N 3.4Å; F510-A512 PolarHBondContact O-N 3.08Å; F510-S513 PolarHBondContact O-N 3.49Å; F510-L514 HydrophobicContact CD1-CD1 3.79Å; F510-L514 HydrophobicContact CE1-CD1 3.32Å; F510-L514 HydrophobicContact CE1-CG 4.5Å; F510-L514 HydrophobicContact CE2-CD1 4.37Å; F510-L514 HydrophobicContact CG-CD1 4.48Å; F510-L514 HydrophobicContact CZ-CD1 3.65Å; F510-L514 WeakPolarHBondContact O-CG 3.39Å; F510-L514 PolarHBondContact O-N 3.34Å; F510-L514 VanDerWaalsContact O-N 3.13Å
511V95.9Very high94.1Very high0 Ų016.9 Ų16.90%09%0.092CC..Hα-helixtrans-61.8-44.5175.6175.30000111.2L493 Y507 A508 S513 L514 A515 V522 I525 L558 I563L493-V511 HydrophobicContact CD1-CG2 3.68Å; Y507-V511 VanDerWaalsContact O-CG2 3.28Å; Y507-V511 WeakPolarHBondContact O-CG2 3.36Å; Y507-V511 PolarHBondContact O-N 2.9Å; A508-V511 PolarHBondContact O-N 3.45Å; V511-S513 VanDerWaalsContact C-N 3.34Å; V511-S513 PolarHBondContact O-N 2.9Å; V511-L514 PolarHBondContact O-N 3.32Å; V511-A515 PolarHBondContact O-N 3.47Å; V511-V522 HydrophobicContact CG1-CG2 3.84Å; V511-I525 HydrophobicContact CG1-CD1 4.21Å; V511-I525 HydrophobicContact CG2-CD1 3.42Å; V511-I525 VanDerWaalsContact CG2-CD1 3.42Å; V511-L558 HydrophobicContact CB-CD2 4.23Å; V511-L558 HydrophobicContact CG1-CD2 4.18Å; V511-I563 HydrophobicContact CG1-CG2 4.13Å
512A95.3Very high94.2Very high4 Ų414 Ų143%0.0338%0.081CC..Hα-helixtrans-63.1-40179.300000112.6L358 A508 R509 F510 L514 A515 F561 I563L358-A512 HydrophobicContact CD1-CB 3.88Å; L358-A512 HydrophobicContact CD2-CB 4.34Å; A508-A512 WeakPolarHBondContact O-CB 3.18Å; A508-A512 PolarHBondContact O-N 3.27Å; R509-A512 PolarHBondContact O-N 3.29Å; F510-A512 PolarHBondContact O-N 3.08Å; A512-L514 VanDerWaalsContact C-N 3.3Å; A512-L514 PolarHBondContact O-N 3.46Å; A512-A515 WeakPolarHBondContact O-CB 3.09Å; A512-A515 PolarHBondContact O-N 3.26Å; A512-F561 HydrophobicContact CB-CB 3.69Å; A512-F561 HydrophobicContact CB-CD1 3.5Å; A512-F561 VanDerWaalsContact CB-CD1 3.5Å; A512-F561 HydrophobicContact CB-CD2 4.48Å; A512-F561 HydrophobicContact CB-CE1 4.26Å; A512-F561 HydrophobicContact CB-CG 3.64Å; A512-I563 HydrophobicContact CB-CD1 4.26Å; A512-I563 HydrophobicContact CB-CG1 3.83Å
513S94.3Very high94.1Very high2 Ų213.9 Ų13.91%0.0148%0.079CC..Hα-helixtrans-63.1-38.1176-56.90000111.6I361 R509 F510 V511 P516I361-S513 WeakPolarHBondContact CD1-O 3.41Å; R509-S513 WeakPolarHBondContact O-CB 3.33Å; R509-S513 PolarHBondContact O-N 2.88Å; R509-S513 PolarHBondContact O-OG 2.9Å; F510-S513 PolarHBondContact O-N 3.49Å; V511-S513 VanDerWaalsContact C-N 3.34Å; V511-S513 PolarHBondContact O-N 2.9Å; S513-P516 WeakPolarHBondContact O-CD 3.36Å
514L94Very high94Very high0 Ų014.9 Ų14.90%08%0.084CC..Hα-helixtrans-82.8-19.4179.8-66.3178000114.1I361 A473 F476 C477 L489 F510 V511 A512 P516 V517 M518 L521I361-L514 HydrophobicContact CD1-CD2 3.84Å; A473-L514 HydrophobicContact CB-CD2 4.15Å; A473-L514 HydrophobicContact CB-CG 4.34Å; F476-L514 HydrophobicContact CD1-CD1 4.31Å; C477-L514 WeakPolarHBondContact SG-CD2 3.42Å; L489-L514 HydrophobicContact CD2-CD1 4.17Å; F510-L514 HydrophobicContact CD1-CD1 3.79Å; F510-L514 HydrophobicContact CE1-CD1 3.32Å; F510-L514 HydrophobicContact CE1-CG 4.5Å; F510-L514 HydrophobicContact CE2-CD1 4.37Å; F510-L514 HydrophobicContact CG-CD1 4.48Å; F510-L514 HydrophobicContact CZ-CD1 3.65Å; F510-L514 WeakPolarHBondContact O-CG 3.39Å; F510-L514 PolarHBondContact O-N 3.34Å; F510-L514 VanDerWaalsContact O-N 3.13Å; V511-L514 PolarHBondContact O-N 3.32Å; A512-L514 VanDerWaalsContact C-N 3.3Å; A512-L514 PolarHBondContact O-N 3.46Å; L514-P516 VanDerWaalsContact C-N 3.33Å; L514-P516 VanDerWaalsContact O-N 3.17Å; L514-V517 HydrophobicContact CD2-CG2 4.38Å; L514-V517 WeakPolarHBondContact O-CG2 3.48Å; L514-V517 PolarHBondContact O-N 3.32Å; L514-M518 HydrophobicContact CB-CG 3.77Å; L514-M518 HydrophobicContact CB-SD 3.96Å; L514-M518 HydrophobicContact CD1-SD 3.88Å; L514-M518 HydrophobicContact CD2-CE 3.92Å; L514-M518 HydrophobicContact CD2-SD 4.25Å; L514-M518 HydrophobicContact CG-SD 4.27Å; L514-M518 WeakPolarHBondContact O-CG 3.31Å; L514-M518 PolarHBondContact O-N 2.98Å; L514-L521 HydrophobicContact CB-CD2 4.25Å; L514-L521 HydrophobicContact CD1-CD2 3.8Å
515A92.5Very high94Very high19 Ų1914.8 Ų14.816%0.1578%0.083CC..THydrogen-bonded Turntrans-51.2-39.5-17600000115V511 A512 V517 V522 I563V511-A515 PolarHBondContact O-N 3.47Å; A512-A515 WeakPolarHBondContact O-CB 3.09Å; A512-A515 PolarHBondContact O-N 3.26Å; A515-V517 VanDerWaalsContact C-N 3.29Å; A515-V517 PolarHBondContact O-N 3.41Å; A515-V522 HydrophobicContact CB-CG2 3.64Å; A515-I563 HydrophobicContact CB-CD1 3.58Å
516P90.2Very high94Very high52 Ų5214.3 Ų14.334%0.3388%0.08SC..THydrogen-bonded Turntrans-67.7-23.2178.2-21.234.5000114.9K362 S513 L514K362-P516 HydrophobicContact CD-CB 4.4Å; K362-P516 WeakPolarHBondContact CE-O 3.11Å; S513-P516 WeakPolarHBondContact O-CD 3.36Å; L514-P516 VanDerWaalsContact C-N 3.33Å; L514-P516 VanDerWaalsContact O-N 3.17Å
517V91.2Very high93.8Very high0 Ų015.8 Ų15.80%09%0.094CC..THydrogen-bonded Turntrans-108-21.8-175.2-67.60000113.1I361 K362 Y370 S373 E374 L514 A515I361-V517 HydrophobicContact CG2-CG1 4.05Å; I361-V517 HydrophobicContact CG2-CG2 4.19Å; K362-V517 HydrophobicContact CG-CG1 3.89Å; Y370-V517 HydrophobicContact CD1-CG1 3.95Å; Y370-V517 HydrophobicContact CD2-CB 4.33Å; Y370-V517 HydrophobicContact CD2-CG1 3.96Å; Y370-V517 HydrophobicContact CE1-CG1 4.25Å; Y370-V517 HydrophobicContact CE2-CG1 4.31Å; Y370-V517 HydrophobicContact CG-CB 4.04Å; Y370-V517 HydrophobicContact CG-CG1 3.79Å; S373-V517 CarbonylContact C-O 3.58Å; S373-V517 VanDerWaalsContact CB-O 3.27Å; S373-V517 WeakPolarHBondContact CB-O 3.46Å; S373-V517 PolarHBondContact OG-O 3.36Å; E374-V517 PolarHBondContact N-O 2.8Å; E374-V517 VanDerWaalsContact N-O 3.15Å; L514-V517 HydrophobicContact CD2-CG2 4.38Å; L514-V517 WeakPolarHBondContact O-CG2 3.48Å; L514-V517 PolarHBondContact O-N 3.32Å; A515-V517 VanDerWaalsContact C-N 3.29Å; A515-V517 PolarHBondContact O-N 3.41Å
518M91.7Very high93.7Very high0 Ų016 Ų160%010%0.096CC..  trans-144.574.9178.757.1-173.275.600112.1F476 R486 L514 D520 L521F476-M518 HydrophobicContact CD1-CE 3.97Å; F476-M518 HydrophobicContact CD1-SD 4.28Å; F476-M518 HydrophobicContact CE1-CE 3.95Å; F476-M518 HydrophobicContact CE1-SD 3.93Å; R486-M518 HydrophobicContact CG-SD 3.87Å; L514-M518 HydrophobicContact CB-CG 3.77Å; L514-M518 HydrophobicContact CB-SD 3.96Å; L514-M518 HydrophobicContact CD1-SD 3.88Å; L514-M518 HydrophobicContact CD2-CE 3.92Å; L514-M518 HydrophobicContact CD2-SD 4.25Å; L514-M518 HydrophobicContact CG-SD 4.27Å; L514-M518 WeakPolarHBondContact O-CG 3.31Å; L514-M518 PolarHBondContact O-N 2.98Å; M518-D520 PolarHBondContact O-N 2.62Å; M518-L521 HydrophobicContact CG-CB 4.08Å; M518-L521 HydrophobicContact CG-CD2 4.15Å; M518-L521 WeakPolarHBondContact O-CB 3.29Å; M518-L521 PolarHBondContact O-N 2.97Å; M518-L521 HydrophobicContact SD-CB 4.37Å; M518-L521 HydrophobicContact SD-CD2 3.78Å
519P91Very high93.7Very high26 Ų2616 Ų1617%0.16910%0.096CC..Hα-helixtrans-65.9-20-18026.4-36000114.3L521 V522 Q523P519-L521 VanDerWaalsContact C-N 3.34Å; P519-V522 WeakPolarHBondContact O-CB 3.35Å; P519-V522 PolarHBondContact O-N 3.4Å; P519-Q523 PolarHBondContact O-N 3.44Å; P519-Q523 VanDerWaalsContact O-N 3.09Å
520D92.1Very high93.5Very high15 Ų1516.7 Ų16.78%0.0810%0.101CC..Hα-helixtrans-64.9-36.717565.1-38.3000112.3A376 R486 M518 V522 Q523 D524A376-D520 HydrophobicContact CB-CB 4.34Å; R486-D520 IonicContact CZ-OD1 3.02Å; R486-D520 IonicContact CZ-OD2 3.75Å; R486-D520 IonicContact NE-OD1 2.84Å; R486-D520 IonicContact NE-OD2 3.97Å; R486-D520 PolarHBondContact NE-OD2 3.47Å; R486-D520 IonicContact NH1-OD1 3.03Å; R486-D520 PolarHBondContact NH1-OD1 3.15Å; R486-D520 IonicContact NH1-OD2 2.73Å; R486-D520 PolarHBondContact NH1-OD2 3.47Å; R486-D520 IonicContact NH2-OD2 2.66Å; M518-D520 PolarHBondContact O-N 2.62Å; D520-V522 VanDerWaalsContact C-N 3.3Å; D520-V522 PolarHBondContact O-N 3.43Å; D520-Q523 PolarHBondContact O-N 3.19Å; D520-D524 WeakPolarHBondContact O-CB 3.46Å; D520-D524 PolarHBondContact O-N 2.91Å
521L94.3Very high93.3Very high1 Ų118.1 Ų18.11%0.00511%0.112CC..Hα-helixtrans-58.4-44.5173.7174.963.9000111L489 A490 L514 M518 P519 D524 I525L489-L521 HydrophobicContact CD2-CD1 4.25Å; L489-L521 HydrophobicContact CD2-CD2 3.83Å; L489-L521 HydrophobicContact CG-CD1 4.32Å; A490-L521 HydrophobicContact CB-CD1 3.79Å; L514-L521 HydrophobicContact CB-CD2 4.25Å; L514-L521 HydrophobicContact CD1-CD2 3.8Å; M518-L521 HydrophobicContact CG-CB 4.08Å; M518-L521 HydrophobicContact CG-CD2 4.15Å; M518-L521 WeakPolarHBondContact O-CB 3.29Å; M518-L521 PolarHBondContact O-N 2.97Å; M518-L521 HydrophobicContact SD-CB 4.37Å; M518-L521 HydrophobicContact SD-CD2 3.78Å; P519-L521 VanDerWaalsContact C-N 3.34Å; L521-D524 PolarHBondContact O-N 3.05Å; L521-I525 HydrophobicContact CD1-CD1 3.8Å; L521-I525 HydrophobicContact CD1-CG1 4.32Å; L521-I525 HydrophobicContact CG-CD1 4.04Å; L521-I525 WeakPolarHBondContact O-CG1 3.48Å; L521-I525 PolarHBondContact O-N 3.29Å
522V93.1Very high93.1Very high13 Ų1318.4 Ų18.48%0.07911%0.114CC..Hα-helixtrans-61.2-47.6176.5168.40000110.5V511 A515 P519 D520 D524 I525 N526 I563V511-V522 HydrophobicContact CG1-CG2 3.84Å; A515-V522 HydrophobicContact CB-CG2 3.64Å; P519-V522 WeakPolarHBondContact O-CB 3.35Å; P519-V522 PolarHBondContact O-N 3.4Å; D520-V522 VanDerWaalsContact C-N 3.3Å; D520-V522 PolarHBondContact O-N 3.43Å; V522-D524 PolarHBondContact O-N 3.3Å; V522-I525 PolarHBondContact O-N 2.86Å; V522-N526 WeakPolarHBondContact O-CB 3.27Å; V522-N526 VanDerWaalsContact O-CG 3.32Å; V522-N526 PolarHBondContact O-N 3.22Å; V522-I563 HydrophobicContact CB-CG2 4.2Å; V522-I563 HydrophobicContact CG1-CG2 3.38Å; V522-I563 HydrophobicContact CG2-CG2 3.87Å
523Q92.5Very high93.1Very high73 Ų7318.3 Ų18.334%0.34111%0.113SC..Hα-helixtrans-61.9-43.7-179.6-175.1175.97.400112.1P519 D520 S527P519-Q523 PolarHBondContact O-N 3.44Å; P519-Q523 VanDerWaalsContact O-N 3.09Å; D520-Q523 PolarHBondContact O-N 3.19Å; Q523-S527 VanDerWaalsContact O-CB 3.23Å; Q523-S527 WeakPolarHBondContact O-CB 3.28Å; Q523-S527 PolarHBondContact O-N 3.34Å; Q523-S527 PolarHBondContact O-OG 3.25Å
524D93.8Very high92.9Very high26 Ų2624.9 Ų24.914%0.13914%0.137CC..Hα-helixtrans-61.6-48177.4-81.1-9.2000110.7A490 D520 L521 V522 S527 M528A490-D524 HydrophobicContact CB-CB 4.16Å; D520-D524 WeakPolarHBondContact O-CB 3.46Å; D520-D524 PolarHBondContact O-N 2.91Å; L521-D524 PolarHBondContact O-N 3.05Å; V522-D524 PolarHBondContact O-N 3.3Å; D524-S527 PolarHBondContact O-N 3.27Å; D524-M528 WeakPolarHBondContact O-CB 3.39Å; D524-M528 WeakPolarHBondContact O-CG 3.21Å; D524-M528 PolarHBondContact O-N 3.47Å
525I95.6Very high92.6Very high0 Ų028.1 Ų28.10%015%0.149CC..Hα-helixtrans-64.4-48.3-179.8-69.2172.3000111.4A490 L493 V511 L521 V522 S527 M528 L529 L558A490-I525 HydrophobicContact CB-CG1 4Å; L493-I525 HydrophobicContact CB-CD1 4.32Å; L493-I525 HydrophobicContact CD1-CD1 3.79Å; V511-I525 HydrophobicContact CG1-CD1 4.21Å; V511-I525 HydrophobicContact CG2-CD1 3.42Å; V511-I525 VanDerWaalsContact CG2-CD1 3.42Å; L521-I525 HydrophobicContact CD1-CD1 3.8Å; L521-I525 HydrophobicContact CD1-CG1 4.32Å; L521-I525 HydrophobicContact CG-CD1 4.04Å; L521-I525 WeakPolarHBondContact O-CG1 3.48Å; L521-I525 PolarHBondContact O-N 3.29Å; V522-I525 PolarHBondContact O-N 2.86Å; I525-S527 VanDerWaalsContact C-N 3.32Å; I525-S527 PolarHBondContact O-N 3.01Å; I525-M528 PolarHBondContact O-N 3.36Å; I525-L529 HydrophobicContact CG2-CD1 3.8Å; I525-L529 HydrophobicContact CG2-CG 4.33Å; I525-L529 WeakPolarHBondContact O-CB 3.38Å; I525-L529 WeakPolarHBondContact O-CG 3.45Å; I525-L529 PolarHBondContact O-N 3.44Å; I525-L558 HydrophobicContact CG2-CD1 3.97Å
526N93.9Very high92.3Very high19 Ų1928.6 Ų28.610%0.10215%0.147CC..Hα-helixtrans-58.4-47.5178.2-73.6-2.1000110.1V522 M528 L529 T530 I563 Y564V522-N526 WeakPolarHBondContact O-CB 3.27Å; V522-N526 VanDerWaalsContact O-CG 3.32Å; V522-N526 PolarHBondContact O-N 3.22Å; N526-M528 PolarHBondContact O-N 2.92Å; N526-L529 PolarHBondContact O-N 3.43Å; N526-T530 PolarHBondContact O-N 3.43Å; N526-T530 PolarHBondContact O-OG1 3.38Å; N526-I563 PolarHBondContact ND2-O 2.94Å; N526-Y564 HydrophobicContact CB-CD2 4.11Å; N526-Y564 HydrophobicContact CB-CE2 4.21Å; N526-Y564 WeakPolarHBondContact OD1-CD2 3.32Å
527S93.9Very high92.1Very high67 Ų6727.8 Ų27.847%0.46914%0.139SC..Hα-helixtrans-60.4-43.3178.3-59.20000112.5Q523 D524 I525 A531Q523-S527 VanDerWaalsContact O-CB 3.23Å; Q523-S527 WeakPolarHBondContact O-CB 3.28Å; Q523-S527 PolarHBondContact O-N 3.34Å; Q523-S527 PolarHBondContact O-OG 3.25Å; D524-S527 PolarHBondContact O-N 3.27Å; I525-S527 VanDerWaalsContact C-N 3.32Å; I525-S527 PolarHBondContact O-N 3.01Å; S527-A531 VanDerWaalsContact O-CB 3.23Å; S527-A531 WeakPolarHBondContact O-CB 3.45Å; S527-A531 PolarHBondContact O-N 3.31Å
528M94.3Very high91.7Very high17 Ų1732.1 Ų32.18%0.08417%0.17CC..Hα-helixtrans-64.5-43.5177.3-72.8176.173.900112.1Y434 K491 F494 D524 I525 N526 A531 E532Y434-M528 HydrophobicContact CD1-CB 4.43Å; Y434-M528 HydrophobicContact CD1-CE 3.8Å; Y434-M528 HydrophobicContact CD1-CG 4.15Å; Y434-M528 HydrophobicContact CE1-CB 4.13Å; Y434-M528 HydrophobicContact CE1-CE 4.21Å; Y434-M528 HydrophobicContact CE1-CG 4.36Å; K491-M528 HydrophobicContact CG-CE 4.36Å; F494-M528 HydrophobicContact CB-CE 3.63Å; F494-M528 HydrophobicContact CB-SD 4.42Å; F494-M528 HydrophobicContact CD1-CE 3.55Å; F494-M528 HydrophobicContact CD2-CB 3.86Å; F494-M528 HydrophobicContact CD2-CE 4.1Å; F494-M528 HydrophobicContact CE1-CE 4.31Å; F494-M528 HydrophobicContact CE2-CB 4.19Å; F494-M528 HydrophobicContact CG-CB 4.39Å; F494-M528 HydrophobicContact CG-CE 3.46Å; F494-M528 VanDerWaalsContact CG-CE 3.46Å; D524-M528 WeakPolarHBondContact O-CB 3.39Å; D524-M528 WeakPolarHBondContact O-CG 3.21Å; D524-M528 PolarHBondContact O-N 3.47Å; I525-M528 PolarHBondContact O-N 3.36Å; N526-M528 PolarHBondContact O-N 2.92Å; M528-A531 PolarHBondContact O-N 3.12Å; M528-E532 PolarHBondContact O-N 3.02Å
529L95.3Very high91.1Very high0 Ų036.8 Ų36.80%019%0.19CC..Hα-helixtrans-66.8-45.3179-73.1172.6000112F494 I525 N526 A531 E532 F533 V551 F554 I555 L558F494-L529 HydrophobicContact CD2-CD2 4Å; F494-L529 HydrophobicContact CD2-CG 4.42Å; F494-L529 HydrophobicContact CE2-CD2 4.05Å; I525-L529 HydrophobicContact CG2-CD1 3.8Å; I525-L529 HydrophobicContact CG2-CG 4.33Å; I525-L529 WeakPolarHBondContact O-CB 3.38Å; I525-L529 WeakPolarHBondContact O-CG 3.45Å; I525-L529 PolarHBondContact O-N 3.44Å; N526-L529 PolarHBondContact O-N 3.43Å; L529-A531 VanDerWaalsContact C-N 3.31Å; L529-A531 PolarHBondContact O-N 3.34Å; L529-E532 PolarHBondContact O-N 2.77Å; L529-F533 WeakPolarHBondContact O-CB 3.34Å; L529-F533 PolarHBondContact O-N 3.39Å; L529-V551 HydrophobicContact CD2-CG1 4.21Å; L529-F554 HydrophobicContact CD1-CD1 3.9Å; L529-F554 HydrophobicContact CD1-CE1 4.26Å; L529-F554 HydrophobicContact CD1-CG 4.17Å; L529-F554 HydrophobicContact CD2-CB 4.37Å; L529-F554 HydrophobicContact CD2-CD1 3.74Å; L529-F554 HydrophobicContact CD2-CE1 4.46Å; L529-F554 HydrophobicContact CD2-CG 4.38Å; L529-F554 HydrophobicContact CG-CD1 4.38Å; L529-I555 HydrophobicContact CB-CD1 4.38Å; L529-I555 HydrophobicContact CB-CG1 4.03Å; L529-I555 HydrophobicContact CD1-CG1 4.26Å; L529-L558 HydrophobicContact CD1-CD1 3.41Å; L529-L558 VanDerWaalsContact CD1-CD1 3.41Å
530T92.2Very high90.2Very high17 Ų1741.7 Ų41.710%0.10421%0.205CC..Hα-helixtrans-65.1-38177.4-40.20000111.1N526 F533 R534 Y564N526-T530 PolarHBondContact O-N 3.43Å; N526-T530 PolarHBondContact O-OG1 3.38Å; T530-F533 PolarHBondContact O-N 3.04Å; T530-R534 WeakPolarHBondContact O-CG 3.47Å; T530-R534 PolarHBondContact O-N 3.41Å; T530-R534 VanDerWaalsContact O-N 3.07Å; T530-Y564 PolarHBondContact OG1-OH 3.05Å
531A92.8Very high89.5Confident30 Ų3044 Ų4425%0.24822%0.218CC..Hα-helixtrans-65.4-44.4174.700000112.4S527 M528 L529 F533 R534 W535S527-A531 VanDerWaalsContact O-CB 3.23Å; S527-A531 WeakPolarHBondContact O-CB 3.45Å; S527-A531 PolarHBondContact O-N 3.31Å; M528-A531 PolarHBondContact O-N 3.12Å; L529-A531 VanDerWaalsContact C-N 3.31Å; L529-A531 PolarHBondContact O-N 3.34Å; A531-F533 VanDerWaalsContact C-N 3.35Å; A531-R534 PolarHBondContact O-N 3.13Å; A531-W535 WeakPolarHBondContact O-CB 3.5Å; A531-W535 PolarHBondContact O-N 3.47Å
532E92.3Very high88.8Confident6 Ų648.9 Ų48.93%0.02824%0.241CC..Hα-helixtrans-60.7-45.7175.1-169.260169.600110.8Y434 F494 M528 L529 R534 W535 R536 V551Y434-E532 VanDerWaalsContact OH-CA 3.28Å; Y434-E532 WeakPolarHBondContact OH-CA 3.41Å; Y434-E532 WeakPolarHBondContact OH-CB 3.33Å; Y434-E532 VanDerWaalsContact OH-CG 3.29Å; Y434-E532 WeakPolarHBondContact OH-CG 3.49Å; Y434-E532 PolarHBondContact OH-OE2 3.11Å; F494-E532 HydrophobicContact CE2-CB 3.94Å; F494-E532 HydrophobicContact CE2-CG 4.31Å; F494-E532 HydrophobicContact CZ-CB 3.87Å; F494-E532 HydrophobicContact CZ-CG 3.88Å; M528-E532 PolarHBondContact O-N 3.02Å; L529-E532 PolarHBondContact O-N 2.77Å; E532-R534 PolarHBondContact O-N 2.96Å; E532-W535 PolarHBondContact O-N 3.26Å; E532-R536 HydrophobicContact CG-CG 4.04Å; E532-R536 WeakPolarHBondContact O-CB 3.48Å; E532-R536 WeakPolarHBondContact O-CG 3.4Å; E532-R536 PolarHBondContact O-N 2.62Å; E532-R536 IonicContact OE1-CZ 2.61Å; E532-R536 VanDerWaalsContact OE1-CZ 3.24Å; E532-R536 IonicContact OE1-NE 2.89Å; E532-R536 PolarHBondContact OE1-NE 3.23Å; E532-R536 IonicContact OE1-NH2 3.65Å; E532-R536 PolarHBondContact OE1-NH2 2.86Å; E532-V551 HydrophobicContact CB-CG1 4.25Å; E532-V551 HydrophobicContact CB-CG2 4.15Å; E532-V551 HydrophobicContact CG-CG1 4.4Å; E532-V551 HydrophobicContact CG-CG2 3.46Å; E532-V551 VanDerWaalsContact CG-CG2 3.46Å
533F93.8Very high88.2Confident2 Ų253.7 Ų53.71%0.00927%0.265CS..Hα-helixtrans-56.1-52.5179.2174.7-93.9000110.9L529 T530 A531 W535 R536 L537 V551 V552 I555 C572 Q575 L576L529-F533 WeakPolarHBondContact O-CB 3.34Å; L529-F533 PolarHBondContact O-N 3.39Å; T530-F533 PolarHBondContact O-N 3.04Å; A531-F533 VanDerWaalsContact C-N 3.35Å; F533-W535 VanDerWaalsContact C-N 3.33Å; F533-W535 PolarHBondContact O-N 3.43Å; F533-R536 PolarHBondContact O-N 3.44Å; F533-L537 HydrophobicContact CE1-CD2 4.19Å; F533-L537 HydrophobicContact CZ-CD2 4.42Å; F533-L537 WeakPolarHBondContact O-CB 3.43Å; F533-L537 PolarHBondContact O-N 3.38Å; F533-V551 HydrophobicContact CB-CG1 4.09Å; F533-V552 HydrophobicContact CD2-CG1 3.83Å; F533-V552 HydrophobicContact CE2-CG1 3.84Å; F533-I555 HydrophobicContact CB-CD1 4.35Å; F533-C572 HydrophobicContact CD1-CB 4.19Å; F533-C572 HydrophobicContact CD2-CB 4.5Å; F533-C572 HydrophobicContact CE1-CB 3.73Å; F533-C572 HydrophobicContact CE2-CB 4.06Å; F533-C572 HydrophobicContact CZ-CB 3.65Å; F533-C572 VanDerWaalsContact CZ-O 3.29Å; F533-C572 WeakPolarHBondContact CZ-O 3.38Å; F533-Q575 HydrophobicContact CE1-CB 4.33Å; F533-L576 HydrophobicContact CE2-CD1 4.16Å; F533-L576 HydrophobicContact CE2-CD2 4.17Å; F533-L576 HydrophobicContact CE2-CG 4.29Å; F533-L576 HydrophobicContact CZ-CD1 4.19Å; F533-L576 HydrophobicContact CZ-CD2 4.01Å; F533-L576 HydrophobicContact CZ-CG 3.93Å
534R90.8Very high87.7Confident139 Ų13954 Ų5453%0.52527%0.27SS..Hα-helixtrans-61.2-41.3178.2-68.2-175.3-145.9118.9-4.9112.2T530 A531 E532 L537 S538T530-R534 WeakPolarHBondContact O-CG 3.47Å; T530-R534 PolarHBondContact O-N 3.41Å; T530-R534 VanDerWaalsContact O-N 3.07Å; A531-R534 PolarHBondContact O-N 3.13Å; E532-R534 PolarHBondContact O-N 2.96Å; R534-L537 PolarHBondContact O-N 2.83Å; R534-S538 WeakPolarHBondContact O-CB 3.05Å; R534-S538 PolarHBondContact O-N 3.29Å
535W87.8Confident87.4Confident68 Ų6855.3 Ų55.326%0.25828%0.276SS..Hα-helixtrans-64.3-44.5177.9-176.982.4000111.7P433 A531 E532 F533 L537 S538 K539P433-W535 HydrophobicContact CG-CB 4.34Å; P433-W535 HydrophobicContact CG-CG 4.26Å; A531-W535 WeakPolarHBondContact O-CB 3.5Å; A531-W535 PolarHBondContact O-N 3.47Å; E532-W535 PolarHBondContact O-N 3.26Å; F533-W535 VanDerWaalsContact C-N 3.33Å; F533-W535 PolarHBondContact O-N 3.43Å; W535-L537 VanDerWaalsContact C-N 3.32Å; W535-L537 PolarHBondContact O-N 2.67Å; W535-S538 PolarHBondContact O-N 2.86Å; W535-K539 HydrophobicContact CD2-CG 4.28Å; W535-K539 HydrophobicContact CH2-CG 4.36Å; W535-K539 HydrophobicContact CZ2-CD 4.49Å; W535-K539 HydrophobicContact CZ2-CG 4.1Å; W535-K539 WeakPolarHBondContact O-CG 3.48Å; W535-K539 PolarHBondContact O-N 2.99Å
536R85.6Confident87.1Confident30 Ų3059 Ų5911%0.11329%0.293CS..Hα-helixtrans-65.9-32.2176.9-70.2-65.5-179.4174.1-1113.1E532 F533 K548E532-R536 HydrophobicContact CG-CG 4.04Å; E532-R536 WeakPolarHBondContact O-CB 3.48Å; E532-R536 WeakPolarHBondContact O-CG 3.4Å; E532-R536 PolarHBondContact O-N 2.62Å; E532-R536 IonicContact OE1-CZ 2.61Å; E532-R536 VanDerWaalsContact OE1-CZ 3.24Å; E532-R536 IonicContact OE1-NE 2.89Å; E532-R536 PolarHBondContact OE1-NE 3.23Å; E532-R536 IonicContact OE1-NH2 3.65Å; E532-R536 PolarHBondContact OE1-NH2 2.86Å; F533-R536 PolarHBondContact O-N 3.44Å; R536-K548 HydrophobicContact CB-CD 4.48Å; R536-K548 HydrophobicContact CB-CG 4.13Å; R536-K548 HydrophobicContact CG-CG 4.32Å; R536-K548 VanDerWaalsContact O-CE 3.32Å; R536-K548 WeakPolarHBondContact O-CE 3.3Å; R536-K548 PolarHBondContact O-NZ 3.46Å; R536-K548 VanDerWaalsContact O-NZ 3.07Å
537L86.6Confident87Confident34 Ų3458.8 Ų58.818%0.17829%0.293CS..Hα-helixtrans-73.6-39.1174.1-174.962000111.7F533 R534 W535 K539 Q575 L576 M587F533-L537 HydrophobicContact CE1-CD2 4.19Å; F533-L537 HydrophobicContact CZ-CD2 4.42Å; F533-L537 WeakPolarHBondContact O-CB 3.43Å; F533-L537 PolarHBondContact O-N 3.38Å; R534-L537 PolarHBondContact O-N 2.83Å; W535-L537 VanDerWaalsContact C-N 3.32Å; W535-L537 PolarHBondContact O-N 2.67Å; L537-K539 VanDerWaalsContact C-N 3.31Å; L537-K539 PolarHBondContact O-N 3.33Å; L537-Q575 HydrophobicContact CD2-CB 3.67Å; L537-L576 HydrophobicContact CD1-CD2 3.91Å; L537-M587 HydrophobicContact CD1-CE 4.33Å
538S82.3Confident86.9Confident92 Ų9255.7 Ų55.764%0.64327%0.271SS*.Hα-helixtrans-65.4-34.3174.7177.50000112.2R534 W535 R540R534-S538 WeakPolarHBondContact O-CB 3.05Å; R534-S538 PolarHBondContact O-N 3.29Å; W535-S538 PolarHBondContact O-N 2.86Å; S538-R540 VanDerWaalsContact C-N 3.34Å; S538-R540 PolarHBondContact O-N 2.89Å
539K79.9Confident86.9Confident98 Ų9856.1 Ų56.143%0.42627%0.274SS..SBendtrans-75.787.1167.3-62.9-64.2-177.9179.10109W535 L537 D541 K548W535-K539 HydrophobicContact CD2-CG 4.28Å; W535-K539 HydrophobicContact CH2-CG 4.36Å; W535-K539 HydrophobicContact CZ2-CD 4.49Å; W535-K539 HydrophobicContact CZ2-CG 4.1Å; W535-K539 WeakPolarHBondContact O-CG 3.48Å; W535-K539 PolarHBondContact O-N 2.99Å; L537-K539 VanDerWaalsContact C-N 3.31Å; L537-K539 PolarHBondContact O-N 3.33Å; K539-D541 PolarHBondContact O-N 3.12Å; K539-K548 PolarHBondContact O-NZ 3.23Å
540R71.5Confident86.9Confident128 Ų12856.9 Ų56.948%0.48328%0.277SS..  trans-67.923.9-178.8-58.5-175.1-179.4156.98.4114.4E416 S538E416-R540 VanDerWaalsContact CD-NH1 3.29Å; E416-R540 IonicContact OE1-CZ 2.8Å; E416-R540 IonicContact OE1-NH1 3.37Å; E416-R540 PolarHBondContact OE1-NH1 3.29Å; S538-R540 VanDerWaalsContact C-N 3.34Å; S538-R540 PolarHBondContact O-N 2.89Å
541D76.4Confident87Confident64 Ų6456.1 Ų56.134%0.34227%0.272SS..  trans-92.7148.9177.862.34.2000111.8K539 L543 K548K539-D541 PolarHBondContact O-N 3.12Å; D541-L543 HydrophobicContact CB-CB 4.41Å; D541-L543 HydrophobicContact CB-CG 4.39Å; D541-L543 PolarHBondContact O-N 2.9Å; D541-K548 PolarHBondContact O-NZ 2.85Å; D541-K548 IonicContact OD1-NZ 2.7Å
542Q79.8Confident87.1Confident104 Ų10454.7 Ų54.749%0.48626%0.261SS..  trans-83.54.3172.9-63.6-178.635.200112.2H582 H583Q542-H582 VanDerWaalsContact CD-CB 3.47Å; Q542-H582 HydrophobicContact CG-CB 4.12Å; Q542-H582 VanDerWaalsContact NE2-CB 3.34Å; Q542-H582 PolarHBondContact NE2-CD2 3.21Å; Q542-H582 PolarHBondContact NE2-ND1 3.07Å; Q542-H583 HydrophobicContact CG-CB 4.41Å
543L81.1Confident87.3Confident114 Ų11457.6 Ų57.660%0.59727%0.271SS*.THydrogen-bonded Turntrans-71147.4179.3-63175.1000110.7D541 I545D541-L543 HydrophobicContact CB-CB 4.41Å; D541-L543 HydrophobicContact CB-CG 4.39Å; D541-L543 PolarHBondContact O-N 2.9Å; L543-I545 PolarHBondContact O-N 2.92Å
544N82.1Confident87.5Confident80 Ų8057.5 Ų57.543%0.42827%0.271SS..THydrogen-bonded Turntrans56.642.1178.3-58.9-57.9000114.5R498 E546 S547 K548R498-N544 PolarHBondContact NH1-OD1 2.83Å; R498-N544 VanDerWaalsContact NH1-OD1 3.16Å; N544-E546 PolarHBondContact O-N 3.38Å; N544-S547 WeakPolarHBondContact O-CA 3.38Å; N544-S547 WeakPolarHBondContact O-CB 3.45Å; N544-S547 PolarHBondContact O-N 2.96Å; N544-K548 PolarHBondContact O-N 2.93Å
545I87.4Confident87.8Confident53 Ų5350.9 Ų50.927%0.27225%0.246SC..Hα-helixtrans-49-44.5177.2-173.958.7000112.3L543 S547 K548 L549 H583 D586L543-I545 PolarHBondContact O-N 2.92Å; I545-S547 PolarHBondContact O-N 3.33Å; I545-S547 VanDerWaalsContact O-N 3.15Å; I545-K548 WeakPolarHBondContact O-CA 3.38Å; I545-K548 WeakPolarHBondContact O-CB 3.33Å; I545-K548 PolarHBondContact O-N 3.49Å; I545-L549 HydrophobicContact CD1-CD2 4.2Å; I545-L549 HydrophobicContact CD1-CG 4.24Å; I545-L549 HydrophobicContact CG1-CD1 4.16Å; I545-L549 HydrophobicContact CG1-CG 4.12Å; I545-L549 WeakPolarHBondContact O-CG 3.41Å; I545-L549 PolarHBondContact O-N 3.33Å; I545-H583 HydrophobicContact CD1-CB 3.8Å; I545-D586 HydrophobicContact CD1-CB 3.92Å; I545-D586 HydrophobicContact CG1-CB 4.49Å
546E90.4Very high88.2Confident77 Ų7747.7 Ų47.736%0.3623%0.234SC..Hα-helixtrans-53.4-38.3176-63.7175.7172.900113.3R498 N544 L549 K550R498-E546 HydrophobicContact CB-CB 4.14Å; R498-E546 WeakPolarHBondContact CD-OE2 3.42Å; R498-E546 HydrophobicContact CG-CB 4.15Å; R498-E546 WeakPolarHBondContact CG-OE2 3.47Å; R498-E546 IonicContact NE-OE2 2.66Å; R498-E546 PolarHBondContact NE-OE2 2.99Å; N544-E546 PolarHBondContact O-N 3.38Å; E546-L549 PolarHBondContact O-N 3.14Å; E546-K550 WeakPolarHBondContact O-CB 3.41Å; E546-K550 PolarHBondContact O-N 3.38Å
547S90.5Very high88.7Confident15 Ų1547.1 Ų47.111%0.10523%0.233CC..Hα-helixtrans-71.2-35178.2-55.90000112R498 N544 I545 V551R498-S547 WeakPolarHBondContact CD-OG 3.32Å; N544-S547 WeakPolarHBondContact O-CA 3.38Å; N544-S547 WeakPolarHBondContact O-CB 3.45Å; N544-S547 PolarHBondContact O-N 2.96Å; I545-S547 PolarHBondContact O-N 3.33Å; I545-S547 VanDerWaalsContact O-N 3.15Å; S547-V551 WeakPolarHBondContact O-CG2 3.42Å
548K92.1Very high89.2Confident1 Ų145.5 Ų45.50%0.00422%0.224CC..Hα-helixtrans-66-46.4173.2-60.9-168.6172.7-172.50110.3R536 K539 D541 N544 I545 K550 V551 V552 H583 M587R536-K548 HydrophobicContact CB-CD 4.48Å; R536-K548 HydrophobicContact CB-CG 4.13Å; R536-K548 HydrophobicContact CG-CG 4.32Å; R536-K548 VanDerWaalsContact O-CE 3.32Å; R536-K548 WeakPolarHBondContact O-CE 3.3Å; R536-K548 PolarHBondContact O-NZ 3.46Å; R536-K548 VanDerWaalsContact O-NZ 3.07Å; K539-K548 PolarHBondContact O-NZ 3.23Å; D541-K548 PolarHBondContact O-NZ 2.85Å; D541-K548 IonicContact OD1-NZ 2.7Å; N544-K548 PolarHBondContact O-N 2.93Å; I545-K548 WeakPolarHBondContact O-CA 3.38Å; I545-K548 WeakPolarHBondContact O-CB 3.33Å; I545-K548 PolarHBondContact O-N 3.49Å; K548-K550 PolarHBondContact O-N 3.38Å; K548-V551 PolarHBondContact O-N 3.2Å; K548-V552 PolarHBondContact O-N 2.93Å; K548-H583 PolarHBondContact NZ-CD2 3.07Å; K548-H583 PolarHBondContact NZ-NE2 2.67Å; K548-H583 VanDerWaalsContact NZ-NE2 3.12Å; K548-M587 HydrophobicContact CB-CG 3.95Å; K548-M587 HydrophobicContact CB-SD 3.74Å; K548-M587 HydrophobicContact CD-CE 4.22Å; K548-M587 HydrophobicContact CD-SD 3.94Å; K548-M587 HydrophobicContact CG-SD 4.25Å
549L94.4Very high89.9Confident26 Ų2641.2 Ų41.214%0.13619%0.194CC..Hα-helixtrans-62.2-42.5178.7-61.2-172.8000112.8I545 E546 V551 V552 R553 D586 A590I545-L549 HydrophobicContact CD1-CD2 4.2Å; I545-L549 HydrophobicContact CD1-CG 4.24Å; I545-L549 HydrophobicContact CG1-CD1 4.16Å; I545-L549 HydrophobicContact CG1-CG 4.12Å; I545-L549 WeakPolarHBondContact O-CG 3.41Å; I545-L549 PolarHBondContact O-N 3.33Å; E546-L549 PolarHBondContact O-N 3.14Å; L549-V551 PolarHBondContact O-N 2.97Å; L549-V552 VanDerWaalsContact O-CG2 3.25Å; L549-V552 WeakPolarHBondContact O-CG2 3.28Å; L549-V552 PolarHBondContact O-N 3.35Å; L549-R553 WeakPolarHBondContact O-CB 3.5Å; L549-R553 VanDerWaalsContact O-CG 3.29Å; L549-R553 WeakPolarHBondContact O-CG 3.37Å; L549-R553 PolarHBondContact O-N 3.01Å; L549-D586 HydrophobicContact CD2-CB 3.98Å; L549-D586 WeakPolarHBondContact CD2-O 3.44Å; L549-A590 HydrophobicContact CD2-CB 3.76Å
550K95Very high90.6Very high16 Ų1638 Ų387%0.0718%0.18CC..Hα-helixtrans-52-44175.1-175.7-14865.9165.70111.9F494 V496 Y501 E546 K548 F554F494-K550 PolarHBondContact O-NZ 2.73Å; V496-K550 HydrophobicContact CB-CD 4.25Å; V496-K550 VanDerWaalsContact O-CD 3.28Å; V496-K550 WeakPolarHBondContact O-CD 3.36Å; Y501-K550 HydrophobicContact CE1-CB 4.3Å; E546-K550 WeakPolarHBondContact O-CB 3.41Å; E546-K550 PolarHBondContact O-N 3.38Å; K548-K550 PolarHBondContact O-N 3.38Å; K550-F554 VanDerWaalsContact O-CB 3.32Å; K550-F554 WeakPolarHBondContact O-CB 3.34Å; K550-F554 PolarHBondContact O-N 2.88Å
551V94.4Very high91.7Very high1 Ų132.5 Ų32.51%0.00616%0.16CC..Hα-helixtrans-68.4-50.1-176.3176.50000111L529 E532 F533 S547 K548 L549 R553 F554 I555L529-V551 HydrophobicContact CD2-CG1 4.21Å; E532-V551 HydrophobicContact CB-CG1 4.25Å; E532-V551 HydrophobicContact CB-CG2 4.15Å; E532-V551 HydrophobicContact CG-CG1 4.4Å; E532-V551 HydrophobicContact CG-CG2 3.46Å; E532-V551 VanDerWaalsContact CG-CG2 3.46Å; F533-V551 HydrophobicContact CB-CG1 4.09Å; S547-V551 WeakPolarHBondContact O-CG2 3.42Å; K548-V551 PolarHBondContact O-N 3.2Å; L549-V551 PolarHBondContact O-N 2.97Å; V551-R553 PolarHBondContact O-N 2.75Å; V551-F554 PolarHBondContact O-N 3.48Å; V551-I555 HydrophobicContact CG1-CD1 4.09Å; V551-I555 WeakPolarHBondContact O-CG1 3.41Å; V551-I555 PolarHBondContact O-N 3.4Å
552V95.3Very high92.5Very high1 Ų133.8 Ų33.81%0.00616%0.162CC..Hα-helixtrans-66.9-37.2-178.9-65.50000112.5F533 K548 L549 I555 G556 M587 A590 L591F533-V552 HydrophobicContact CD2-CG1 3.83Å; F533-V552 HydrophobicContact CE2-CG1 3.84Å; K548-V552 PolarHBondContact O-N 2.93Å; L549-V552 VanDerWaalsContact O-CG2 3.25Å; L549-V552 WeakPolarHBondContact O-CG2 3.28Å; L549-V552 PolarHBondContact O-N 3.35Å; V552-I555 PolarHBondContact O-N 2.92Å; V552-G556 PolarHBondContact O-N 2.94Å; V552-M587 HydrophobicContact CG1-CB 4.29Å; V552-M587 HydrophobicContact CG1-CG 4.41Å; V552-A590 HydrophobicContact CG2-CB 3.85Å; V552-L591 HydrophobicContact CB-CB 4.16Å; V552-L591 HydrophobicContact CB-CD1 4.45Å; V552-L591 WeakPolarHBondContact O-CD1 3.16Å
553R96.4Very high93.1Very high67 Ų6730.2 Ų30.225%0.25315%0.146SC..Hα-helixtrans-64.4-42.2174.2-68.9-171.7175.9-76-1.6111.2L504 L549 V551 G556 E557 A590 S594L504-R553 HydrophobicContact CD1-CB 3.71Å; L549-R553 WeakPolarHBondContact O-CB 3.5Å; L549-R553 VanDerWaalsContact O-CG 3.29Å; L549-R553 WeakPolarHBondContact O-CG 3.37Å; L549-R553 PolarHBondContact O-N 3.01Å; V551-R553 PolarHBondContact O-N 2.75Å; R553-G556 PolarHBondContact O-N 3.22Å; R553-G556 VanDerWaalsContact O-N 3.14Å; R553-E557 WeakPolarHBondContact O-CG 3.34Å; R553-E557 PolarHBondContact O-N 3.18Å; R553-A590 HydrophobicContact CG-CB 4.23Å; R553-S594 WeakPolarHBondContact CG-OG 3.17Å; R553-S594 PolarHBondContact NH1-OG 2.91Å
554F97.5Very high93.7Very high0 Ų024.9 Ų24.90%012%0.118CC..Hα-helixtrans-67.3-38.3178.9-165.2-168.2000112.3L493 L504 A508 L529 K550 V551 G556 E557 L558L493-F554 WeakPolarHBondContact O-CE1 3.22Å; L504-F554 HydrophobicContact CB-CD2 4.47Å; L504-F554 HydrophobicContact CD1-CB 4.28Å; L504-F554 HydrophobicContact CD2-CB 4.07Å; L504-F554 HydrophobicContact CD2-CD1 4.4Å; L504-F554 HydrophobicContact CD2-CD2 4.34Å; L504-F554 HydrophobicContact CD2-CG 4.05Å; A508-F554 HydrophobicContact CB-CE2 4.21Å; L529-F554 HydrophobicContact CD1-CD1 3.9Å; L529-F554 HydrophobicContact CD1-CE1 4.26Å; L529-F554 HydrophobicContact CD1-CG 4.17Å; L529-F554 HydrophobicContact CD2-CB 4.37Å; L529-F554 HydrophobicContact CD2-CD1 3.74Å; L529-F554 HydrophobicContact CD2-CE1 4.46Å; L529-F554 HydrophobicContact CD2-CG 4.38Å; L529-F554 HydrophobicContact CG-CD1 4.38Å; K550-F554 VanDerWaalsContact O-CB 3.32Å; K550-F554 WeakPolarHBondContact O-CB 3.34Å; K550-F554 PolarHBondContact O-N 2.88Å; V551-F554 PolarHBondContact O-N 3.48Å; F554-G556 VanDerWaalsContact C-N 3.32Å; F554-G556 PolarHBondContact O-N 2.99Å; F554-E557 PolarHBondContact O-N 3.36Å; F554-L558 HydrophobicContact CD2-CD1 4.25Å; F554-L558 HydrophobicContact CD2-CG 4.15Å; F554-L558 HydrophobicContact CE2-CD1 4.14Å; F554-L558 HydrophobicContact CE2-CD2 4.27Å; F554-L558 HydrophobicContact CE2-CG 4.03Å; F554-L558 HydrophobicContact CZ-CD1 4.5Å; F554-L558 WeakPolarHBondContact O-CG 3.31Å; F554-L558 PolarHBondContact O-N 3.43Å; F554-L558 VanDerWaalsContact O-N 3.07Å
555I97.2Very high94.1Very high0 Ų022.9 Ų22.90%011%0.11CC..Hα-helixtrans-56.9-48.7169.3-69.4168.7000109.8L529 F533 V551 V552 E557 L558 V559 Y564 A569 L591L529-I555 HydrophobicContact CB-CD1 4.38Å; L529-I555 HydrophobicContact CB-CG1 4.03Å; L529-I555 HydrophobicContact CD1-CG1 4.26Å; F533-I555 HydrophobicContact CB-CD1 4.35Å; V551-I555 HydrophobicContact CG1-CD1 4.09Å; V551-I555 WeakPolarHBondContact O-CG1 3.41Å; V551-I555 PolarHBondContact O-N 3.4Å; V552-I555 PolarHBondContact O-N 2.92Å; I555-E557 PolarHBondContact O-N 3.44Å; I555-L558 PolarHBondContact O-N 3Å; I555-V559 HydrophobicContact CG2-CG2 4.37Å; I555-V559 VanDerWaalsContact O-CG2 3.31Å; I555-V559 WeakPolarHBondContact O-CG2 3.09Å; I555-V559 PolarHBondContact O-N 3.3Å; I555-Y564 HydrophobicContact CG1-CE2 4.25Å; I555-Y564 HydrophobicContact CG2-CD1 3.83Å; I555-Y564 HydrophobicContact CG2-CD2 4.46Å; I555-Y564 HydrophobicContact CG2-CE1 3.72Å; I555-Y564 HydrophobicContact CG2-CE2 4.4Å; I555-Y564 HydrophobicContact CG2-CG 4.2Å; I555-A569 HydrophobicContact CG2-CB 4.22Å; I555-L591 HydrophobicContact CB-CD1 4.4Å; I555-L591 HydrophobicContact CG2-CD1 4.08Å
556G96.2Very high94.2Very high0 Ų020.8 Ų20.80%010%0.1CC..Hα-helixtrans-59.4-41178.500000113.9V552 R553 F554 V559 K560 C595V552-G556 PolarHBondContact O-N 2.94Å; R553-G556 PolarHBondContact O-N 3.22Å; R553-G556 VanDerWaalsContact O-N 3.14Å; F554-G556 VanDerWaalsContact C-N 3.32Å; F554-G556 PolarHBondContact O-N 2.99Å; G556-V559 PolarHBondContact O-N 2.92Å; G556-K560 PolarHBondContact O-N 3.08Å; G556-C595 WeakPolarHBondContact O-CB 3.3Å
557E96.5Very high93.9Very high19 Ų1919.3 Ų19.39%0.0899%0.093CC..Hα-helixtrans-61.9-44.6174.1-67.5-54.3140.400112.2Y355 L504 P505 A508 R553 F554 I555 V559 K560 F561Y355-E557 PolarHBondContact OH-OE2 2.98Å; L504-E557 HydrophobicContact CB-CG 4.03Å; P505-E557 HydrophobicContact CG-CG 4.27Å; A508-E557 HydrophobicContact CB-CB 3.67Å; R553-E557 WeakPolarHBondContact O-CG 3.34Å; R553-E557 PolarHBondContact O-N 3.18Å; F554-E557 PolarHBondContact O-N 3.36Å; I555-E557 PolarHBondContact O-N 3.44Å; E557-V559 VanDerWaalsContact C-N 3.31Å; E557-V559 PolarHBondContact O-N 3.48Å; E557-K560 PolarHBondContact O-N 3.12Å; E557-K560 IonicContact OE1-NZ 2.62Å; E557-K560 PolarHBondContact OE1-NZ 3.24Å; E557-K560 WeakPolarHBondContact OE2-CE 3.38Å; E557-K560 IonicContact OE2-NZ 3.6Å; E557-K560 PolarHBondContact OE2-NZ 2.86Å; E557-F561 WeakPolarHBondContact O-CD2 3.35Å; E557-F561 PolarHBondContact O-N 2.84Å
558L97.2Very high93.9Very high0 Ų021.9 Ų21.90%010%0.103CC..Hα-helixtrans-68-28.2178.5-68.8169.1000113.5A508 V511 I525 L529 F554 I555 F561 K562 I563 Y564A508-L558 HydrophobicContact CB-CD2 3.9Å; A508-L558 HydrophobicContact CB-CG 4.27Å; V511-L558 HydrophobicContact CB-CD2 4.23Å; V511-L558 HydrophobicContact CG1-CD2 4.18Å; I525-L558 HydrophobicContact CG2-CD1 3.97Å; L529-L558 HydrophobicContact CD1-CD1 3.41Å; L529-L558 VanDerWaalsContact CD1-CD1 3.41Å; F554-L558 HydrophobicContact CD2-CD1 4.25Å; F554-L558 HydrophobicContact CD2-CG 4.15Å; F554-L558 HydrophobicContact CE2-CD1 4.14Å; F554-L558 HydrophobicContact CE2-CD2 4.27Å; F554-L558 HydrophobicContact CE2-CG 4.03Å; F554-L558 HydrophobicContact CZ-CD1 4.5Å; F554-L558 WeakPolarHBondContact O-CG 3.31Å; F554-L558 PolarHBondContact O-N 3.43Å; F554-L558 VanDerWaalsContact O-N 3.07Å; I555-L558 PolarHBondContact O-N 3Å; L558-F561 PolarHBondContact O-N 2.91Å; L558-K562 PolarHBondContact O-N 3.26Å; L558-I563 HydrophobicContact CD2-CB 4.4Å; L558-I563 HydrophobicContact CD2-CG2 4.23Å; L558-I563 PolarHBondContact O-N 3.45Å; L558-Y564 PolarHBondContact O-N 3.31Å; L558-Y564 VanDerWaalsContact O-N 3.15Å
559V95.9Very high93.9Very high2 Ų221.9 Ų21.91%0.01210%0.103CC..Hα-helixtrans-64.2-42.8173.2169.20000110.9I555 G556 E557 F561 K562 Y564 A569 C595 F598 L599I555-V559 HydrophobicContact CG2-CG2 4.37Å; I555-V559 VanDerWaalsContact O-CG2 3.31Å; I555-V559 WeakPolarHBondContact O-CG2 3.09Å; I555-V559 PolarHBondContact O-N 3.3Å; G556-V559 PolarHBondContact O-N 2.92Å; E557-V559 VanDerWaalsContact C-N 3.31Å; E557-V559 PolarHBondContact O-N 3.48Å; V559-F561 VanDerWaalsContact C-N 3.26Å; V559-F561 PolarHBondContact O-N 2.79Å; V559-K562 WeakPolarHBondContact O-CA 3.37Å; V559-K562 PolarHBondContact O-N 3.28Å; V559-Y564 WeakPolarHBondContact CA-O 3.36Å; V559-Y564 HydrophobicContact CG2-CD1 3.95Å; V559-Y564 HydrophobicContact CG2-CG 4.38Å; V559-A569 HydrophobicContact CG2-CB 3.63Å; V559-C595 HydrophobicContact CB-CB 4.18Å; V559-C595 HydrophobicContact CG1-CB 4.12Å; V559-F598 HydrophobicContact CG1-CD1 3.97Å; V559-F598 HydrophobicContact CG1-CE1 4.04Å; V559-F598 WeakPolarHBondContact O-CE1 3.37Å; V559-L599 HydrophobicContact CG1-CD2 3.82Å; V559-L599 HydrophobicContact CG1-CG 4.27Å
560K95.1Very high93.7Very high29 Ų2920.8 Ų20.813%0.12610%0.098CC..Hα-helixtrans-63.1-31.7178.8-71.2-179.5-70.7-171.40113Y355 G556 E557 K562 S594 C595 F598Y355-K560 HydrophobicContact CD1-CB 3.52Å; Y355-K560 HydrophobicContact CE1-CB 3.52Å; Y355-K560 HydrophobicContact CE1-CD 3.91Å; Y355-K560 HydrophobicContact CE1-CG 4.34Å; Y355-K560 HydrophobicContact CE2-CD 4.29Å; Y355-K560 HydrophobicContact CG-CB 4.23Å; Y355-K560 VanDerWaalsContact OH-CE 3.28Å; Y355-K560 WeakPolarHBondContact OH-CE 3.38Å; Y355-K560 PolarHBondContact OH-NZ 3.42Å; G556-K560 PolarHBondContact O-N 3.08Å; E557-K560 PolarHBondContact O-N 3.12Å; E557-K560 IonicContact OE1-NZ 2.62Å; E557-K560 PolarHBondContact OE1-NZ 3.24Å; E557-K560 WeakPolarHBondContact OE2-CE 3.38Å; E557-K560 IonicContact OE2-NZ 3.6Å; E557-K560 PolarHBondContact OE2-NZ 2.86Å; K560-K562 VanDerWaalsContact C-N 3.27Å; K560-K562 PolarHBondContact O-N 3.39Å; K560-S594 WeakPolarHBondContact CD-O 3.27Å; K560-S594 WeakPolarHBondContact CE-O 2.98Å; K560-S594 PolarHBondContact NZ-O 3.15Å; K560-S594 VanDerWaalsContact NZ-O 3.11Å; K560-C595 HydrophobicContact CG-CB 4.35Å; K560-F598 HydrophobicContact CG-CB 4.12Å; K560-F598 HydrophobicContact CG-CD1 4.49Å; K560-F598 HydrophobicContact CG-CD2 4.37Å; K560-F598 HydrophobicContact CG-CG 4.09Å
561F95.6Very high93.5Very high14 Ų1422.7 Ų22.76%0.06111%0.111CC..THydrogen-bonded Turntrans-81.30.5171.8-75-75000114.2F354 Y355 L358 A508 R509 A512 E557 L558 V559 I563F354-F561 HydrophobicContact CD1-CZ 4.06Å; F354-F561 HydrophobicContact CE1-CE2 4.19Å; F354-F561 AromaticContact CE1-CZ 3.69Å; F354-F561 HydrophobicContact CE1-CZ 3.69Å; F354-F561 HydrophobicContact CZ-CZ 4.42Å; F354-F561 WeakPolarHBondContact O-CE1 3.48Å; Y355-F561 HydrophobicContact CD1-CD1 4.04Å; Y355-F561 AromaticContact CD1-CD2 3.67Å; Y355-F561 HydrophobicContact CD1-CD2 3.67Å; Y355-F561 AromaticContact CD1-CE1 3.79Å; Y355-F561 HydrophobicContact CD1-CE1 3.79Å; Y355-F561 AromaticContact CD1-CE2 3.38Å; Y355-F561 HydrophobicContact CD1-CE2 3.38Å; Y355-F561 AromaticContact CD1-CG 3.98Å; Y355-F561 HydrophobicContact CD1-CG 3.98Å; Y355-F561 AromaticContact CD1-CZ 3.42Å; Y355-F561 HydrophobicContact CD1-CZ 3.42Å; Y355-F561 VanDerWaalsContact CD1-CZ 3.42Å; Y355-F561 AromaticContact CE1-CD2 3.91Å; Y355-F561 HydrophobicContact CE1-CD2 3.91Å; Y355-F561 AromaticContact CE1-CE2 3.42Å; Y355-F561 HydrophobicContact CE1-CE2 3.42Å; Y355-F561 VanDerWaalsContact CE1-CE2 3.42Å; Y355-F561 AromaticContact CE1-CZ 3.8Å; Y355-F561 HydrophobicContact CE1-CZ 3.8Å; Y355-F561 HydrophobicContact CG-CE1 4.36Å; Y355-F561 HydrophobicContact CG-CZ 4.23Å; Y355-F561 WeakPolarHBondContact O-CD1 3.36Å; Y355-F561 WeakPolarHBondContact O-CE1 3.42Å; L358-F561 HydrophobicContact CD2-CD1 4.15Å; L358-F561 HydrophobicContact CD2-CE1 3.81Å; A508-F561 HydrophobicContact CB-CD2 3.64Å; A508-F561 HydrophobicContact CB-CE2 3.72Å; R509-F561 VanDerWaalsContact CA-CZ 3.43Å; R509-F561 HydrophobicContact CB-CE1 3.99Å; R509-F561 HydrophobicContact CB-CE2 4.06Å; R509-F561 HydrophobicContact CB-CZ 3.45Å; R509-F561 VanDerWaalsContact CB-CZ 3.45Å; R509-F561 HydrophobicContact CG-CE1 4.05Å; R509-F561 HydrophobicContact CG-CZ 3.94Å; A512-F561 HydrophobicContact CB-CB 3.69Å; A512-F561 HydrophobicContact CB-CD1 3.5Å; A512-F561 VanDerWaalsContact CB-CD1 3.5Å; A512-F561 HydrophobicContact CB-CD2 4.48Å; A512-F561 HydrophobicContact CB-CE1 4.26Å; A512-F561 HydrophobicContact CB-CG 3.64Å; E557-F561 WeakPolarHBondContact O-CD2 3.35Å; E557-F561 PolarHBondContact O-N 2.84Å; L558-F561 PolarHBondContact O-N 2.91Å; V559-F561 VanDerWaalsContact C-N 3.26Å; V559-F561 PolarHBondContact O-N 2.79Å; F561-I563 HydrophobicContact CB-CG1 3.92Å; F561-I563 PolarHBondContact O-N 2.72Å
562K92.2Very high93.4Very high90 Ų9022.8 Ų22.839%0.39111%0.111SC..THydrogen-bonded Turntrans59.427.7-177.6-52.7171.3169.4-142.70113.3E386 L558 V559 K560 F598E386-K562 WeakPolarHBondContact OE2-CD 3.43Å; E386-K562 VanDerWaalsContact OE2-CE 3.25Å; E386-K562 WeakPolarHBondContact OE2-CE 3.47Å; E386-K562 IonicContact OE2-NZ 2.83Å; E386-K562 PolarHBondContact OE2-NZ 2.86Å; L558-K562 PolarHBondContact O-N 3.26Å; V559-K562 WeakPolarHBondContact O-CA 3.37Å; V559-K562 PolarHBondContact O-N 3.28Å; K560-K562 VanDerWaalsContact C-N 3.27Å; K560-K562 PolarHBondContact O-N 3.39Å; K562-F598 HydrophobicContact CG-CZ 4.24Å
563I92.4Very high93.3Very high30 Ų3022.9 Ų22.915%0.15411%0.112CC..SBendtrans-94.4-38177-62.9-55.9000110.5V511 A512 A515 V522 N526 L558 F561V511-I563 HydrophobicContact CG1-CG2 4.13Å; A512-I563 HydrophobicContact CB-CD1 4.26Å; A512-I563 HydrophobicContact CB-CG1 3.83Å; A515-I563 HydrophobicContact CB-CD1 3.58Å; V522-I563 HydrophobicContact CB-CG2 4.2Å; V522-I563 HydrophobicContact CG1-CG2 3.38Å; V522-I563 HydrophobicContact CG2-CG2 3.87Å; N526-I563 PolarHBondContact ND2-O 2.94Å; L558-I563 HydrophobicContact CD2-CB 4.4Å; L558-I563 HydrophobicContact CD2-CG2 4.23Å; L558-I563 PolarHBondContact O-N 3.45Å; F561-I563 HydrophobicContact CB-CG1 3.92Å; F561-I563 PolarHBondContact O-N 2.72Å
564Y93.5Very high93Very high1 Ų120.7 Ų20.70%0.00410%0.104CC..SBendtrans-98119.3171.2-161.9-78.4000108.9N526 T530 I555 L558 V559 A566 Q568 A569N526-Y564 HydrophobicContact CB-CD2 4.11Å; N526-Y564 HydrophobicContact CB-CE2 4.21Å; N526-Y564 WeakPolarHBondContact OD1-CD2 3.32Å; T530-Y564 PolarHBondContact OG1-OH 3.05Å; I555-Y564 HydrophobicContact CG1-CE2 4.25Å; I555-Y564 HydrophobicContact CG2-CD1 3.83Å; I555-Y564 HydrophobicContact CG2-CD2 4.46Å; I555-Y564 HydrophobicContact CG2-CE1 3.72Å; I555-Y564 HydrophobicContact CG2-CE2 4.4Å; I555-Y564 HydrophobicContact CG2-CG 4.2Å; L558-Y564 PolarHBondContact O-N 3.31Å; L558-Y564 VanDerWaalsContact O-N 3.15Å; V559-Y564 WeakPolarHBondContact CA-O 3.36Å; V559-Y564 HydrophobicContact CG2-CD1 3.95Å; V559-Y564 HydrophobicContact CG2-CG 4.38Å; Y564-A566 PolarHBondContact O-N 2.8Å; Y564-Q568 HydrophobicContact CD1-CB 4.17Å; Y564-Q568 HydrophobicContact CE1-CB 3.44Å; Y564-Q568 VanDerWaalsContact CE1-CB 3.44Å; Y564-A569 HydrophobicContact CD1-CB 4.37Å; Y564-A569 HydrophobicContact CE1-CB 4.36Å
565P91Very high92.7Very high39 Ų3924 Ų2425%0.25312%0.12SC..  trans-62.1135.7-174.5-23.533000113.1H567 Q568 A569P565-H567 VanDerWaalsContact C-N 3.29Å; P565-H567 WeakPolarHBondContact CB-CE1 3.32Å; P565-H567 WeakPolarHBondContact CB-ND1 3.39Å; P565-H567 PolarHBondContact O-N 2.97Å; P565-Q568 HydrophobicContact CB-CG 4.17Å; P565-Q568 HydrophobicContact CG-CG 4.39Å; P565-Q568 WeakPolarHBondContact O-CB 3.22Å; P565-Q568 PolarHBondContact O-N 2.8Å; P565-A569 PolarHBondContact O-N 2.93Å
566A89.4Confident92.5Very high8 Ų824 Ų247%0.06612%0.12CC..Hα-helixtrans-54.5-41.6-17900000113.1Y564 Q568 A569 L570 L599 L602Y564-A566 PolarHBondContact O-N 2.8Å; A566-Q568 VanDerWaalsContact C-N 3.29Å; A566-Q568 PolarHBondContact O-N 2.66Å; A566-A569 PolarHBondContact O-N 2.89Å; A566-A569 VanDerWaalsContact O-N 3.15Å; A566-L570 WeakPolarHBondContact O-CG 3.4Å; A566-L570 PolarHBondContact O-N 3.42Å; A566-L599 HydrophobicContact CB-CD2 3.55Å; A566-L602 HydrophobicContact CB-CD2 4.35Å
567H85Confident92.3Very high47 Ų4724 Ų2422%0.21812%0.12CC..Hα-helixtrans-61.3-35.2178.369.3-93.4000113.1L274 P565 L570 T571L274-H567 HydrophobicContact CD1-CB 4.4Å; P565-H567 VanDerWaalsContact C-N 3.29Å; P565-H567 WeakPolarHBondContact CB-CE1 3.32Å; P565-H567 WeakPolarHBondContact CB-ND1 3.39Å; P565-H567 PolarHBondContact O-N 2.97Å; H567-L570 PolarHBondContact O-N 3.35Å; H567-T571 PolarHBondContact O-N 3.14Å; H567-T571 PolarHBondContact O-OG1 3.49Å
568Q89.8Confident92Very high69 Ų6923.3 Ų23.332%0.32212%0.117SC..Hα-helixtrans-70.6-36.9176.9-64.1-173.5-2.900111.2Y564 P565 A566 T571 C572Y564-Q568 HydrophobicContact CD1-CB 4.17Å; Y564-Q568 HydrophobicContact CE1-CB 3.44Å; Y564-Q568 VanDerWaalsContact CE1-CB 3.44Å; P565-Q568 HydrophobicContact CB-CG 4.17Å; P565-Q568 HydrophobicContact CG-CG 4.39Å; P565-Q568 WeakPolarHBondContact O-CB 3.22Å; P565-Q568 PolarHBondContact O-N 2.8Å; A566-Q568 VanDerWaalsContact C-N 3.29Å; A566-Q568 PolarHBondContact O-N 2.66Å; Q568-T571 WeakPolarHBondContact O-CB 3.41Å; Q568-T571 PolarHBondContact O-N 3.36Å; Q568-C572 PolarHBondContact O-N 3.28Å; Q568-C572 PolarHBondContact O-SG 3.24Å
569A92.1Very high91.5Very high0 Ų027.4 Ų27.40%014%0.136CC..Hα-helixtrans-67.6-39.7174.800000111.6I555 V559 Y564 P565 A566 T571 C572 L573I555-A569 HydrophobicContact CG2-CB 4.22Å; V559-A569 HydrophobicContact CG2-CB 3.63Å; Y564-A569 HydrophobicContact CD1-CB 4.37Å; Y564-A569 HydrophobicContact CE1-CB 4.36Å; P565-A569 PolarHBondContact O-N 2.93Å; A566-A569 PolarHBondContact O-N 2.89Å; A566-A569 VanDerWaalsContact O-N 3.15Å; A569-T571 VanDerWaalsContact C-N 3.3Å; A569-T571 PolarHBondContact O-N 3.33Å; A569-C572 WeakPolarHBondContact O-CB 3.27Å; A569-C572 PolarHBondContact O-N 3.04Å; A569-L573 PolarHBondContact O-N 2.9Å
570L90.6Very high91.3Very high4 Ų427.3 Ų27.32%0.02114%0.135CC..Hα-helixtrans-63.2-36172.2-71.6176.7000112.3A566 H567 L573 K574 L599 R608 Y612A566-L570 WeakPolarHBondContact O-CG 3.4Å; A566-L570 PolarHBondContact O-N 3.42Å; H567-L570 PolarHBondContact O-N 3.35Å; L570-L573 WeakPolarHBondContact O-CB 3.2Å; L570-L573 PolarHBondContact O-N 3.23Å; L570-K574 PolarHBondContact O-N 3.04Å; L570-L599 HydrophobicContact CD2-CD1 4.3Å; L570-R608 HydrophobicContact CD1-CB 3.82Å; L570-R608 HydrophobicContact CD2-CB 4.49Å; L570-Y612 HydrophobicContact CB-CE2 4.2Å; L570-Y612 HydrophobicContact CD2-CD2 4.02Å; L570-Y612 HydrophobicContact CD2-CE2 4.12Å
571T89.6Confident91Very high56 Ų5627.8 Ų27.834%0.34414%0.14SC..Hα-helixtrans-63.9-42.1172.4-57.50000111.3H567 Q568 A569 L573 K574 Q575H567-T571 PolarHBondContact O-N 3.14Å; H567-T571 PolarHBondContact O-OG1 3.49Å; Q568-T571 WeakPolarHBondContact O-CB 3.41Å; Q568-T571 PolarHBondContact O-N 3.36Å; A569-T571 VanDerWaalsContact C-N 3.3Å; A569-T571 PolarHBondContact O-N 3.33Å; T571-L573 VanDerWaalsContact C-N 3.3Å; T571-L573 PolarHBondContact O-N 3.46Å; T571-K574 PolarHBondContact O-N 2.84Å; T571-Q575 WeakPolarHBondContact O-CG 3.42Å; T571-Q575 PolarHBondContact O-N 3.39Å
572C92.7Very high90.7Very high3 Ų330.9 Ų30.92%0.0216%0.155CC..Hα-helixtrans-58.6-43.3172.2-69.70000111.2F533 Q568 A569 Q575 L576 L591F533-C572 HydrophobicContact CD1-CB 4.19Å; F533-C572 HydrophobicContact CD2-CB 4.5Å; F533-C572 HydrophobicContact CE1-CB 3.73Å; F533-C572 HydrophobicContact CE2-CB 4.06Å; F533-C572 HydrophobicContact CZ-CB 3.65Å; F533-C572 VanDerWaalsContact CZ-O 3.29Å; F533-C572 WeakPolarHBondContact CZ-O 3.38Å; Q568-C572 PolarHBondContact O-N 3.28Å; Q568-C572 PolarHBondContact O-SG 3.24Å; A569-C572 WeakPolarHBondContact O-CB 3.27Å; A569-C572 PolarHBondContact O-N 3.04Å; C572-Q575 PolarHBondContact O-N 3.22Å; C572-L576 WeakPolarHBondContact O-CG 3.11Å; C572-L576 PolarHBondContact O-N 3.5Å; C572-L591 HydrophobicContact CB-CD2 4.32Å
573L92.9Very high90.6Very high2 Ų227.4 Ų27.41%0.0114%0.14CC..Hα-helixtrans-62.2-46.2175.8-175.458.5000111.9A569 L570 T571 Q575 L576 L577 A588 L591 L592 Y612A569-L573 PolarHBondContact O-N 2.9Å; L570-L573 WeakPolarHBondContact O-CB 3.2Å; L570-L573 PolarHBondContact O-N 3.23Å; T571-L573 VanDerWaalsContact C-N 3.3Å; T571-L573 PolarHBondContact O-N 3.46Å; L573-Q575 VanDerWaalsContact C-N 3.28Å; L573-Q575 PolarHBondContact O-N 2.64Å; L573-L576 WeakPolarHBondContact O-CB 3.28Å; L573-L576 PolarHBondContact O-N 3.07Å; L573-L577 PolarHBondContact O-N 2.95Å; L573-A588 HydrophobicContact CD1-CB 3.74Å; L573-L591 HydrophobicContact CB-CD2 4.17Å; L573-L592 HydrophobicContact CD1-CD1 4.23Å; L573-L592 HydrophobicContact CD1-CG 4.44Å; L573-L592 HydrophobicContact CD2-CD1 4.06Å; L573-L592 HydrophobicContact CD2-CD2 3.86Å; L573-L592 HydrophobicContact CD2-CG 4.12Å; L573-Y612 HydrophobicContact CD2-CD2 3.74Å; L573-Y612 HydrophobicContact CD2-CG 4.07Å; L573-Y612 HydrophobicContact CG-CD2 4.18Å; L573-Y612 HydrophobicContact CG-CG 4.39Å
574K91.4Very high90.6Very high22 Ų2226.4 Ų26.410%0.09614%0.135CC..Hα-helixtrans-52.3-46.9175.1-172.2-179.6-1761700111E279 E404 L405 L570 T571 L576 L577 P578 Y612E279-K574 IonicContact OE1-NZ 3.6Å; E279-K574 IonicContact OE2-NZ 3.24Å; E279-K574 PolarHBondContact OE2-NZ 3.09Å; E404-K574 IonicContact OE2-NZ 3.81Å; E404-K574 PolarHBondContact OE2-NZ 3.48Å; L405-K574 HydrophobicContact CD2-CG 4.17Å; L570-K574 PolarHBondContact O-N 3.04Å; T571-K574 PolarHBondContact O-N 2.84Å; K574-L576 PolarHBondContact O-N 3.14Å; K574-L576 VanDerWaalsContact O-N 3.13Å; K574-L577 PolarHBondContact O-N 2.91Å; K574-L577 VanDerWaalsContact O-N 3.13Å; K574-P578 WeakPolarHBondContact O-CD 3.27Å; K574-Y612 HydrophobicContact CB-CE1 4.41Å
575Q91.1Very high90.6Very high69 Ų6926.4 Ų26.432%0.32214%0.135SC..Hα-helixtrans-64.5-16.8-179.5-70.2-179.6-17.100114.5F533 L537 T571 C572 L573F533-Q575 HydrophobicContact CE1-CB 4.33Å; L537-Q575 HydrophobicContact CD2-CB 3.67Å; T571-Q575 WeakPolarHBondContact O-CG 3.42Å; T571-Q575 PolarHBondContact O-N 3.39Å; C572-Q575 PolarHBondContact O-N 3.22Å; L573-Q575 VanDerWaalsContact C-N 3.28Å; L573-Q575 PolarHBondContact O-N 2.64Å
576L93.1Very high90.8Very high0 Ų025.2 Ų25.20%013%0.127CC..Hα-helixtrans-87.9-21.6177-64.1169.6000113.4F533 L537 C572 L573 K574 N584 M587 A588F533-L576 HydrophobicContact CE2-CD1 4.16Å; F533-L576 HydrophobicContact CE2-CD2 4.17Å; F533-L576 HydrophobicContact CE2-CG 4.29Å; F533-L576 HydrophobicContact CZ-CD1 4.19Å; F533-L576 HydrophobicContact CZ-CD2 4.01Å; F533-L576 HydrophobicContact CZ-CG 3.93Å; L537-L576 HydrophobicContact CD1-CD2 3.91Å; C572-L576 WeakPolarHBondContact O-CG 3.11Å; C572-L576 PolarHBondContact O-N 3.5Å; L573-L576 WeakPolarHBondContact O-CB 3.28Å; L573-L576 PolarHBondContact O-N 3.07Å; K574-L576 PolarHBondContact O-N 3.14Å; K574-L576 VanDerWaalsContact O-N 3.13Å; L576-N584 HydrophobicContact CD2-CB 4.39Å; L576-M587 HydrophobicContact CD1-CB 3.88Å; L576-M587 HydrophobicContact CD2-CB 3.89Å; L576-M587 HydrophobicContact CD2-CE 3.52Å; L576-M587 HydrophobicContact CD2-SD 4.16Å; L576-A588 HydrophobicContact CB-CB 4.3Å; L576-A588 HydrophobicContact CD1-CB 3.97Å
577L92.1Very high91Very high0 Ų025 Ų250%012%0.124CC..SBendtrans-78.1-29.2-172.7-64.1178.7000115.9L405 L573 K574 F580 Y612 I615 M616 K619L405-L577 HydrophobicContact CD1-CB 4.04Å; L405-L577 HydrophobicContact CD1-CD1 4.1Å; L405-L577 HydrophobicContact CD2-CB 3.71Å; L573-L577 PolarHBondContact O-N 2.95Å; K574-L577 PolarHBondContact O-N 2.91Å; K574-L577 VanDerWaalsContact O-N 3.13Å; L577-F580 HydrophobicContact CD2-CD2 3.88Å; L577-F580 HydrophobicContact CD2-CE2 3.99Å; L577-F580 HydrophobicContact CD2-CG 4.46Å; L577-F580 WeakPolarHBondContact O-CB 3.42Å; L577-Y612 HydrophobicContact CD1-CD1 3.42Å; L577-Y612 VanDerWaalsContact CD1-CD1 3.42Å; L577-Y612 HydrophobicContact CD1-CE1 4.05Å; L577-Y612 HydrophobicContact CD1-CG 4Å; L577-I615 HydrophobicContact CD1-CG2 4.25Å; L577-M616 HydrophobicContact CD2-CG 3.69Å; L577-K619 WeakPolarHBondContact O-CE 3.37Å; L577-K619 PolarHBondContact O-NZ 3.25Å
578P89.1Confident91.6Very high4 Ų422.7 Ų22.73%0.02611%0.114CC..THydrogen-bonded Turntrans-56.3-59.7177.4-31.136.6000111.5L405 E408 E409 I412 K574 F580L405-P578 HydrophobicContact CD2-CG 3.9Å; E408-P578 HydrophobicContact CB-CB 4.44Å; E408-P578 HydrophobicContact CB-CG 4Å; E408-P578 WeakPolarHBondContact OE2-CG 3.45Å; E409-P578 VanDerWaalsContact CG-C 3.46Å; E409-P578 HydrophobicContact CG-CB 3.55Å; E409-P578 WeakPolarHBondContact CG-O 3.38Å; I412-P578 HydrophobicContact CD1-CB 3.86Å; I412-P578 HydrophobicContact CD1-CG 4.49Å; K574-P578 WeakPolarHBondContact O-CD 3.27Å; P578-F580 PolarHBondContact O-N 3.27Å
579Q86.5Confident91.9Very high86 Ų8619.4 Ų19.440%0.40210%0.098SC..THydrogen-bonded Turntrans-100.564.8176.8-163.862.936.500110.8V581 N584Q579-V581 VanDerWaalsContact C-N 3.26Å; Q579-V581 PolarHBondContact O-N 3.1Å; Q579-N584 WeakPolarHBondContact O-CB 3.44Å; Q579-N584 PolarHBondContact O-ND2 2.91Å
580F92.6Very high92.1Very high1 Ų119.6 Ų19.60%0.00410%0.099CC..  trans-76.667-174.2-163.4-117.2000113.4L577 P578 I585 A588 M616 K619 I633L577-F580 HydrophobicContact CD2-CD2 3.88Å; L577-F580 HydrophobicContact CD2-CE2 3.99Å; L577-F580 HydrophobicContact CD2-CG 4.46Å; L577-F580 WeakPolarHBondContact O-CB 3.42Å; P578-F580 PolarHBondContact O-N 3.27Å; F580-I585 HydrophobicContact CD1-CG1 4.12Å; F580-I585 HydrophobicContact CD2-CG1 4.26Å; F580-I585 HydrophobicContact CE1-CG1 4.08Å; F580-I585 HydrophobicContact CE2-CB 4.48Å; F580-I585 HydrophobicContact CE2-CG1 4.21Å; F580-I585 HydrophobicContact CG-CG1 4.21Å; F580-I585 HydrophobicContact CZ-CB 4.38Å; F580-I585 HydrophobicContact CZ-CG1 4.11Å; F580-I585 HydrophobicContact CZ-CG2 4.16Å; F580-A588 HydrophobicContact CE2-CB 3.7Å; F580-M616 HydrophobicContact CE1-CB 4.3Å; F580-M616 HydrophobicContact CE1-CG 4.17Å; F580-M616 HydrophobicContact CE2-CE 4.39Å; F580-M616 HydrophobicContact CE2-CG 4.13Å; F580-M616 HydrophobicContact CZ-CB 4.19Å; F580-M616 HydrophobicContact CZ-CE 3.8Å; F580-M616 HydrophobicContact CZ-CG 3.66Å; F580-M616 HydrophobicContact CZ-SD 4.36Å; F580-K619 HydrophobicContact CB-CD 3.85Å; F580-K619 HydrophobicContact CD1-CB 3.97Å; F580-K619 HydrophobicContact CD1-CD 4.24Å; F580-K619 HydrophobicContact CG-CD 4.26Å; F580-I633 HydrophobicContact CE1-CD1 3.65Å; F580-I633 HydrophobicContact CE1-CG1 4.24Å; F580-I633 HydrophobicContact CZ-CD1 4.17Å; F580-I633 HydrophobicContact CZ-CG1 4.27Å
581V88.3Confident92.4Very high38 Ų3819.5 Ų19.523%0.2310%0.099CC..SBendtrans-140.4143.2-178.9-158.50000111Q579 H583 N584 M625Q579-V581 VanDerWaalsContact C-N 3.26Å; Q579-V581 PolarHBondContact O-N 3.1Å; V581-H583 PolarHBondContact O-N 3.07Å; V581-N584 PolarHBondContact O-N 3.41Å; V581-M625 HydrophobicContact CG1-CE 4.32Å; V581-M625 HydrophobicContact CG2-CE 4.39Å
582H88.8Confident92.7Very high80 Ų8016.8 Ų16.837%0.378%0.083SC..THydrogen-bonded Turntrans55.3-122.4177.3-52.198.2000112.9Q542 N584 I585 D586Q542-H582 VanDerWaalsContact CD-CB 3.47Å; Q542-H582 HydrophobicContact CG-CB 4.12Å; Q542-H582 VanDerWaalsContact NE2-CB 3.34Å; Q542-H582 PolarHBondContact NE2-CD2 3.21Å; Q542-H582 PolarHBondContact NE2-ND1 3.07Å; H582-N584 PolarHBondContact O-N 2.87Å; H582-I585 WeakPolarHBondContact O-CA 3.46Å; H582-I585 VanDerWaalsContact O-CB 3.28Å; H582-I585 WeakPolarHBondContact O-CB 3.41Å; H582-I585 PolarHBondContact O-N 2.95Å; H582-D586 PolarHBondContact O-N 2.71Å
583H90.6Very high92.8Very high16 Ų1619 Ų197%0.0749%0.094CC..Hα-helixtrans-56.8-25.5-176.271.5-75000115.1Q542 I545 K548 V581 I585 D586 M587Q542-H583 HydrophobicContact CG-CB 4.41Å; I545-H583 HydrophobicContact CD1-CB 3.8Å; K548-H583 PolarHBondContact NZ-CD2 3.07Å; K548-H583 PolarHBondContact NZ-NE2 2.67Å; K548-H583 VanDerWaalsContact NZ-NE2 3.12Å; V581-H583 PolarHBondContact O-N 3.07Å; H583-I585 VanDerWaalsContact C-N 3.33Å; H583-D586 PolarHBondContact O-N 3.44Å; H583-M587 VanDerWaalsContact CD2-CE 3.44Å; H583-M587 WeakPolarHBondContact CD2-CE 3.5Å; H583-M587 WeakPolarHBondContact O-CB 3.21Å; H583-M587 WeakPolarHBondContact O-CG 3.39Å; H583-M587 PolarHBondContact O-N 3.15Å
584N92.7Very high92.9Very high10 Ų1019.3 Ų19.35%0.05310%0.097CC..Hα-helixtrans-70.2-32.4174.7-75-0.7000111.8L576 Q579 V581 H582 M587 A588L576-N584 HydrophobicContact CD2-CB 4.39Å; Q579-N584 WeakPolarHBondContact O-CB 3.44Å; Q579-N584 PolarHBondContact O-ND2 2.91Å; V581-N584 PolarHBondContact O-N 3.41Å; H582-N584 PolarHBondContact O-N 2.87Å; N584-M587 WeakPolarHBondContact OD1-CE 3.49Å; N584-A588 WeakPolarHBondContact O-CB 3.34Å; N584-A588 PolarHBondContact O-N 3.3Å
585I93.9Very high93Very high0 Ų018.4 Ų18.40%09%0.093CC..Hα-helixtrans-66.6-49.9173.3-56.8174.4000109.1F580 H582 H583 M587 A588 C589 M625 Y629 I633F580-I585 HydrophobicContact CD1-CG1 4.12Å; F580-I585 HydrophobicContact CD2-CG1 4.26Å; F580-I585 HydrophobicContact CE1-CG1 4.08Å; F580-I585 HydrophobicContact CE2-CB 4.48Å; F580-I585 HydrophobicContact CE2-CG1 4.21Å; F580-I585 HydrophobicContact CG-CG1 4.21Å; F580-I585 HydrophobicContact CZ-CB 4.38Å; F580-I585 HydrophobicContact CZ-CG1 4.11Å; F580-I585 HydrophobicContact CZ-CG2 4.16Å; H582-I585 WeakPolarHBondContact O-CA 3.46Å; H582-I585 VanDerWaalsContact O-CB 3.28Å; H582-I585 WeakPolarHBondContact O-CB 3.41Å; H582-I585 PolarHBondContact O-N 2.95Å; H583-I585 VanDerWaalsContact C-N 3.33Å; I585-M587 VanDerWaalsContact C-N 3.3Å; I585-M587 PolarHBondContact O-N 3.08Å; I585-A588 PolarHBondContact O-N 2.68Å; I585-C589 WeakPolarHBondContact O-CB 3.44Å; I585-C589 PolarHBondContact O-N 3.33Å; I585-C589 PolarHBondContact O-SG 2.96Å; I585-M625 HydrophobicContact CD1-CG 4.49Å; I585-M625 HydrophobicContact CD1-SD 3.55Å; I585-M625 VanDerWaalsContact CD1-SD 3.55Å; I585-Y629 HydrophobicContact CB-CD1 3.97Å; I585-Y629 HydrophobicContact CB-CE1 4.38Å; I585-Y629 HydrophobicContact CD1-CD1 4.07Å; I585-Y629 HydrophobicContact CD1-CD2 4.33Å; I585-Y629 HydrophobicContact CD1-CG 3.88Å; I585-Y629 HydrophobicContact CG2-CD1 3.8Å; I585-Y629 HydrophobicContact CG2-CG 4.37Å; I585-I633 HydrophobicContact CG2-CD1 3.96Å; I585-I633 HydrophobicContact CG2-CG1 3.83Å
586D94.7Very high93.1Very high15 Ų1515.1 Ų15.18%0.088%0.077CC..Hα-helixtrans-59.5-40.5178-63.7-74.9000111.5I545 L549 H582 H583 A590 R628 M632I545-D586 HydrophobicContact CD1-CB 3.92Å; I545-D586 HydrophobicContact CG1-CB 4.49Å; L549-D586 HydrophobicContact CD2-CB 3.98Å; L549-D586 WeakPolarHBondContact CD2-O 3.44Å; H582-D586 PolarHBondContact O-N 2.71Å; H583-D586 PolarHBondContact O-N 3.44Å; D586-A590 WeakPolarHBondContact O-CB 3.43Å; D586-A590 PolarHBondContact O-N 2.65Å; D586-R628 IonicContact OD1-NH2 3.48Å; D586-M632 WeakPolarHBondContact OD1-CE 3.47Å
587M94.6Very high93Very high2 Ų217.4 Ų17.41%0.019%0.086CC..Hα-helixtrans-65.5-42.8177.1-78.6-170.7-68.100112.7L537 K548 V552 L576 H583 N584 I585 L591L537-M587 HydrophobicContact CD1-CE 4.33Å; K548-M587 HydrophobicContact CB-CG 3.95Å; K548-M587 HydrophobicContact CB-SD 3.74Å; K548-M587 HydrophobicContact CD-CE 4.22Å; K548-M587 HydrophobicContact CD-SD 3.94Å; K548-M587 HydrophobicContact CG-SD 4.25Å; V552-M587 HydrophobicContact CG1-CB 4.29Å; V552-M587 HydrophobicContact CG1-CG 4.41Å; L576-M587 HydrophobicContact CD1-CB 3.88Å; L576-M587 HydrophobicContact CD2-CB 3.89Å; L576-M587 HydrophobicContact CD2-CE 3.52Å; L576-M587 HydrophobicContact CD2-SD 4.16Å; H583-M587 VanDerWaalsContact CD2-CE 3.44Å; H583-M587 WeakPolarHBondContact CD2-CE 3.5Å; H583-M587 WeakPolarHBondContact O-CB 3.21Å; H583-M587 WeakPolarHBondContact O-CG 3.39Å; H583-M587 PolarHBondContact O-N 3.15Å; N584-M587 WeakPolarHBondContact OD1-CE 3.49Å; I585-M587 VanDerWaalsContact C-N 3.3Å; I585-M587 PolarHBondContact O-N 3.08Å; M587-L591 WeakPolarHBondContact O-CB 3.46Å; M587-L591 PolarHBondContact O-N 3.09Å
588A96.4Very high93Very high0 Ų017.8 Ų17.80%09%0.088CC..Hα-helixtrans-68.2-46.518000000111.1L573 L576 F580 N584 I585 L591 L592 M616L573-A588 HydrophobicContact CD1-CB 3.74Å; L576-A588 HydrophobicContact CB-CB 4.3Å; L576-A588 HydrophobicContact CD1-CB 3.97Å; F580-A588 HydrophobicContact CE2-CB 3.7Å; N584-A588 WeakPolarHBondContact O-CB 3.34Å; N584-A588 PolarHBondContact O-N 3.3Å; I585-A588 PolarHBondContact O-N 2.68Å; A588-L591 PolarHBondContact O-N 3.02Å; A588-L592 WeakPolarHBondContact O-CG 3.22Å; A588-L592 PolarHBondContact O-N 2.99Å; A588-M616 HydrophobicContact CB-CE 4.39Å
589C96.5Very high93.1Very high0 Ų017.7 Ų17.70%09%0.087CC..Hα-helixtrans-62-46176.2-60.90000110.4I585 L591 L592 D593 M632 T636I585-C589 WeakPolarHBondContact O-CB 3.44Å; I585-C589 PolarHBondContact O-N 3.33Å; I585-C589 PolarHBondContact O-SG 2.96Å; C589-L591 VanDerWaalsContact C-N 3.34Å; C589-L591 PolarHBondContact O-N 3.18Å; C589-L592 CarbonylContact O-C 3.54Å; C589-L592 PolarHBondContact O-N 2.8Å; C589-D593 WeakPolarHBondContact O-CB 3.38Å; C589-D593 PolarHBondContact O-N 3.13Å; C589-M632 HydrophobicContact CB-CG 3.81Å; C589-M632 HydrophobicContact CB-SD 3.89Å; C589-T636 HydrophobicContact CB-CG2 4.45Å; C589-T636 VanDerWaalsContact CB-OG1 3.3Å; C589-T636 WeakPolarHBondContact CB-OG1 3.49Å; C589-T636 PolarHBondContact SG-OG1 2.84Å
590A95.8Very high93.3Very high3 Ų315 Ų153%0.0257%0.074CC..Hα-helixtrans-64.5-33.4178.500000114.2L549 V552 R553 D586 S594L549-A590 HydrophobicContact CD2-CB 3.76Å; V552-A590 HydrophobicContact CG2-CB 3.85Å; R553-A590 HydrophobicContact CG-CB 4.23Å; D586-A590 WeakPolarHBondContact O-CB 3.43Å; D586-A590 PolarHBondContact O-N 2.65Å; A590-S594 WeakPolarHBondContact O-CB 3.33Å; A590-S594 PolarHBondContact O-N 3.27Å; A590-S594 PolarHBondContact O-OG 3.43Å
591L97.1Very high93Very high2 Ų218.5 Ų18.51%0.019%0.087CC..Hα-helixtrans-64.8-48.3172.8-177.260.2000110.6V552 I555 C572 L573 M587 A588 C589 S594 C595V552-L591 HydrophobicContact CB-CB 4.16Å; V552-L591 HydrophobicContact CB-CD1 4.45Å; V552-L591 WeakPolarHBondContact O-CD1 3.16Å; I555-L591 HydrophobicContact CB-CD1 4.4Å; I555-L591 HydrophobicContact CG2-CD1 4.08Å; C572-L591 HydrophobicContact CB-CD2 4.32Å; L573-L591 HydrophobicContact CB-CD2 4.17Å; M587-L591 WeakPolarHBondContact O-CB 3.46Å; M587-L591 PolarHBondContact O-N 3.09Å; A588-L591 PolarHBondContact O-N 3.02Å; C589-L591 VanDerWaalsContact C-N 3.34Å; C589-L591 PolarHBondContact O-N 3.18Å; L591-S594 PolarHBondContact O-N 3.48Å; L591-C595 PolarHBondContact O-N 3.09Å; L591-C595 PolarHBondContact O-SG 3.39Å; L591-C595 VanDerWaalsContact O-SG 3.33Å
592L96.8Very high92.9Very high0 Ų017.3 Ų17.30%08%0.079CC..Hα-helixtrans-72.1-32.5-179.4-71.9174000113.5L573 A588 C589 S594 G596 T609 L613 M616 T636L573-L592 HydrophobicContact CD1-CD1 4.23Å; L573-L592 HydrophobicContact CD1-CG 4.44Å; L573-L592 HydrophobicContact CD2-CD1 4.06Å; L573-L592 HydrophobicContact CD2-CD2 3.86Å; L573-L592 HydrophobicContact CD2-CG 4.12Å; A588-L592 WeakPolarHBondContact O-CG 3.22Å; A588-L592 PolarHBondContact O-N 2.99Å; C589-L592 CarbonylContact O-C 3.54Å; C589-L592 PolarHBondContact O-N 2.8Å; L592-S594 PolarHBondContact O-N 3.39Å; L592-G596 WeakPolarHBondContact O-CA 3.19Å; L592-G596 PolarHBondContact O-N 2.98Å; L592-T609 HydrophobicContact CD2-CG2 4.29Å; L592-L613 HydrophobicContact CD1-CD2 3.82Å; L592-M616 HydrophobicContact CD1-CE 3.92Å; L592-M616 HydrophobicContact CD1-SD 3.49Å; L592-M616 WeakPolarHBondContact CD1-SD 3.41Å; L592-T636 HydrophobicContact CB-CG2 3.44Å; L592-T636 VanDerWaalsContact CB-CG2 3.44Å; L592-T636 HydrophobicContact CD1-CG2 3.98Å; L592-T636 HydrophobicContact CG-CG2 4.38Å
593D94.7Very high92.4Very high49 Ų4918 Ų1826%0.2629%0.09SC..Hα-helixtrans-65.1-26.8170.6-71.1-17.6000111.3C589 T636 Y639C589-D593 WeakPolarHBondContact O-CB 3.38Å; C589-D593 PolarHBondContact O-N 3.13Å; D593-T636 PolarHBondContact OD1-OG1 2.83Å; D593-Y639 VanDerWaalsContact O-CE1 3.28Å; D593-Y639 WeakPolarHBondContact O-CE1 3.01Å
594S94.4Very high91.9Very high9 Ų918.6 Ų18.66%0.0639%0.094CC..Hα-helixtrans-87.3-41.5-178.2-54.40000112.6R553 K560 A590 L591 L592R553-S594 WeakPolarHBondContact CG-OG 3.17Å; R553-S594 PolarHBondContact NH1-OG 2.91Å; K560-S594 WeakPolarHBondContact CD-O 3.27Å; K560-S594 WeakPolarHBondContact CE-O 2.98Å; K560-S594 PolarHBondContact NZ-O 3.15Å; K560-S594 VanDerWaalsContact NZ-O 3.11Å; A590-S594 WeakPolarHBondContact O-CB 3.33Å; A590-S594 PolarHBondContact O-N 3.27Å; A590-S594 PolarHBondContact O-OG 3.43Å; L591-S594 PolarHBondContact O-N 3.48Å; L592-S594 PolarHBondContact O-N 3.39Å
595C93.9Very high91.6Very high2 Ų218.2 Ų18.21%0.0149%0.092CC..Hα-helixtrans-136.54.4-176.268.20000115.2G556 V559 K560 L591 F598 L599G556-C595 WeakPolarHBondContact O-CB 3.3Å; V559-C595 HydrophobicContact CB-CB 4.18Å; V559-C595 HydrophobicContact CG1-CB 4.12Å; K560-C595 HydrophobicContact CG-CB 4.35Å; L591-C595 PolarHBondContact O-N 3.09Å; L591-C595 PolarHBondContact O-SG 3.39Å; L591-C595 VanDerWaalsContact O-SG 3.33Å; C595-F598 WeakPolarHBondContact O-CB 3.44Å; C595-F598 PolarHBondContact O-N 3.14Å; C595-L599 WeakPolarHBondContact O-CB 3.22Å; C595-L599 VanDerWaalsContact O-CG 3.28Å; C595-L599 WeakPolarHBondContact O-CG 3.39Å; C595-L599 PolarHBondContact O-N 3.19Å
596G92.3Very high91.4Very high0 Ų021.1 Ų21.10%011%0.105CC..Hα-helixtrans-65.4-42.9-174.200000113.2L592 F598 L599 Y600L592-G596 WeakPolarHBondContact O-CA 3.19Å; L592-G596 PolarHBondContact O-N 2.98Å; G596-F598 VanDerWaalsContact C-N 3.33Å; G596-F598 PolarHBondContact O-N 3.45Å; G596-L599 PolarHBondContact O-N 3.16Å; G596-Y600 VanDerWaalsContact O-CB 3.22Å; G596-Y600 WeakPolarHBondContact O-CB 3.47Å; G596-Y600 PolarHBondContact O-N 3.01Å
597R90.8Very high90.9Very high48 Ų4824.1 Ų24.118%0.18112%0.118CC..Hα-helixtrans-60.9-41.1173.1-169.9172.1-175.6164.62.3112.3E347 Y600 R601 Y639E347-R597 WeakPolarHBondContact OE1-CD 3.47Å; E347-R597 IonicContact OE1-CZ 3.79Å; E347-R597 IonicContact OE1-NE 3.05Å; E347-R597 IonicContact OE1-NH1 2.75Å; E347-R597 PolarHBondContact OE1-NH1 3.03Å; E347-R597 IonicContact OE2-NH1 2.84Å; E347-R597 PolarHBondContact OE2-NH1 3.45Å; R597-Y600 PolarHBondContact O-N 3.44Å; R597-R601 VanDerWaalsContact NE-CZ 3.28Å; R597-R601 WeakPolarHBondContact O-CB 3.36Å; R597-R601 WeakPolarHBondContact O-CG 3.35Å; R597-R601 PolarHBondContact O-N 3.44Å; R597-Y639 HydrophobicContact CB-CE1 4.44Å
598F91.9Very high90.5Very high9 Ų924.7 Ų24.74%0.03912%0.12CC..Hα-helixtrans-63.2-50.1175.1177.9-93.2000111.3L345 F346 V559 K560 K562 C595 G596 Y600 R601 L602L345-F598 HydrophobicContact CB-CD2 4.19Å; L345-F598 HydrophobicContact CB-CE2 4.27Å; L345-F598 HydrophobicContact CD1-CE2 4.22Å; L345-F598 HydrophobicContact CD2-CD2 4.42Å; L345-F598 HydrophobicContact CD2-CE2 4.36Å; F346-F598 HydrophobicContact CE1-CD2 4.16Å; F346-F598 HydrophobicContact CE2-CE2 4.4Å; F346-F598 AromaticContact CZ-CD2 3.95Å; F346-F598 HydrophobicContact CZ-CD2 3.95Å; F346-F598 AromaticContact CZ-CE2 3.88Å; F346-F598 HydrophobicContact CZ-CE2 3.88Å; V559-F598 HydrophobicContact CG1-CD1 3.97Å; V559-F598 HydrophobicContact CG1-CE1 4.04Å; V559-F598 WeakPolarHBondContact O-CE1 3.37Å; K560-F598 HydrophobicContact CG-CB 4.12Å; K560-F598 HydrophobicContact CG-CD1 4.49Å; K560-F598 HydrophobicContact CG-CD2 4.37Å; K560-F598 HydrophobicContact CG-CG 4.09Å; K562-F598 HydrophobicContact CG-CZ 4.24Å; C595-F598 WeakPolarHBondContact O-CB 3.44Å; C595-F598 PolarHBondContact O-N 3.14Å; G596-F598 VanDerWaalsContact C-N 3.33Å; G596-F598 PolarHBondContact O-N 3.45Å; F598-Y600 VanDerWaalsContact C-N 3.3Å; F598-Y600 PolarHBondContact O-N 3.07Å; F598-R601 PolarHBondContact O-N 2.63Å; F598-L602 HydrophobicContact CE1-CD2 4.25Å; F598-L602 WeakPolarHBondContact O-CB 3.04Å; F598-L602 PolarHBondContact O-N 2.65Å
599L91.2Very high90.2Very high2 Ų224.7 Ų24.71%0.0112%0.12CC..Hα-helixtrans-62.4-36.3177-70.1174.3000112.4V559 A566 L570 C595 G596 S605 H606 T609V559-L599 HydrophobicContact CG1-CD2 3.82Å; V559-L599 HydrophobicContact CG1-CG 4.27Å; A566-L599 HydrophobicContact CB-CD2 3.55Å; L570-L599 HydrophobicContact CD2-CD1 4.3Å; C595-L599 WeakPolarHBondContact O-CB 3.22Å; C595-L599 VanDerWaalsContact O-CG 3.28Å; C595-L599 WeakPolarHBondContact O-CG 3.39Å; C595-L599 PolarHBondContact O-N 3.19Å; G596-L599 PolarHBondContact O-N 3.16Å; L599-S605 WeakPolarHBondContact CA-OG 3.29Å; L599-S605 CarbonylContact O-C 3.58Å; L599-S605 WeakPolarHBondContact O-CB 3.11Å; L599-S605 PolarHBondContact O-OG 2.87Å; L599-H606 PolarHBondContact O-N 3.24Å; L599-T609 HydrophobicContact CB-CG2 4.18Å; L599-T609 WeakPolarHBondContact CB-OG1 3.49Å
600Y90.2Very high89.9Confident30 Ų3028.9 Ų28.912%0.11814%0.138CC..Hα-helixtrans-70.6-33.5177.9-167.4-91.8000111.9G596 R597 F598 H606 T609 K610 L613 N641G596-Y600 VanDerWaalsContact O-CB 3.22Å; G596-Y600 WeakPolarHBondContact O-CB 3.47Å; G596-Y600 PolarHBondContact O-N 3.01Å; R597-Y600 PolarHBondContact O-N 3.44Å; F598-Y600 VanDerWaalsContact C-N 3.3Å; F598-Y600 PolarHBondContact O-N 3.07Å; Y600-H606 AromaticContact CD1-ND1 3.82Å; Y600-H606 AromaticContact CE1-CE1 3.55Å; Y600-H606 AromaticContact CE1-ND1 3.82Å; Y600-H606 AromaticContact CE2-CE1 3.89Å; Y600-H606 AromaticContact CG-ND1 3.96Å; Y600-H606 AromaticContact CZ-CE1 3.47Å; Y600-H606 VanDerWaalsContact CZ-CE1 3.47Å; Y600-H606 AromaticContact CZ-ND1 3.95Å; Y600-H606 WeakPolarHBondContact O-CB 3.48Å; Y600-H606 PolarHBondContact O-ND1 2.97Å; Y600-T609 HydrophobicContact CD2-CG2 4.13Å; Y600-K610 HydrophobicContact CD2-CB 4.44Å; Y600-K610 HydrophobicContact CE2-CB 3.79Å; Y600-K610 HydrophobicContact CE2-CG 4.14Å; Y600-L613 HydrophobicContact CD2-CD1 3.85Å; Y600-L613 HydrophobicContact CE2-CD1 4.15Å; Y600-N641 HydrophobicContact CE1-CB 4.1Å; Y600-N641 HydrophobicContact CE2-CB 4.25Å; Y600-N641 PolarHBondContact OH-ND2 2.79Å; Y600-N641 PolarHBondContact OH-OD1 3.32Å
601R88.1Confident89.6Confident74 Ų7429.2 Ų29.228%0.27914%0.14SC..Hα-helixtrans-84.2-22.8178-71.4170.6170-164.8-17.8113.4V343 N344 L345 F346 R597 F598 P603V343-R601 HydrophobicContact CG1-CB 4.42Å; V343-R601 WeakPolarHBondContact CG1-O 3.27Å; N344-R601 WeakPolarHBondContact O-CD 3.48Å; N344-R601 PolarHBondContact O-NH1 2.93Å; L345-R601 HydrophobicContact CD2-CB 4.09Å; L345-R601 WeakPolarHBondContact O-CD 3.46Å; L345-R601 PolarHBondContact O-NH1 3.36Å; L345-R601 VanDerWaalsContact O-NH1 3.16Å; F346-R601 PolarHBondContact O-NH1 3.42Å; F346-R601 VanDerWaalsContact O-NH1 3.07Å; R597-R601 VanDerWaalsContact NE-CZ 3.28Å; R597-R601 WeakPolarHBondContact O-CB 3.36Å; R597-R601 WeakPolarHBondContact O-CG 3.35Å; R597-R601 PolarHBondContact O-N 3.44Å; F598-R601 PolarHBondContact O-N 2.63Å; R601-P603 WeakPolarHBondContact O-CD 3.03Å
602L84.3Confident89.4Confident12 Ų1229.3 Ų29.36%0.06314%0.14CC..SBendtrans-75.1122.4179.5-171.972.2000110.1L345 A566 F598 I604 S605 H606L345-L602 HydrophobicContact CD2-CB 4.11Å; L345-L602 HydrophobicContact CD2-CD1 4.03Å; A566-L602 HydrophobicContact CB-CD2 4.35Å; F598-L602 HydrophobicContact CE1-CD2 4.25Å; F598-L602 WeakPolarHBondContact O-CB 3.04Å; F598-L602 PolarHBondContact O-N 2.65Å; L602-I604 VanDerWaalsContact C-N 3.27Å; L602-I604 HydrophobicContact CD2-CD1 3.8Å; L602-I604 HydrophobicContact CD2-CG1 3.54Å; L602-I604 HydrophobicContact CG-CD1 4.4Å; L602-I604 HydrophobicContact CG-CG1 3.67Å; L602-I604 PolarHBondContact O-N 3.48Å; L602-I604 VanDerWaalsContact O-N 3.15Å; L602-S605 WeakPolarHBondContact CB-OG 2.95Å; L602-S605 PolarHBondContact O-N 3.19Å; L602-S605 VanDerWaalsContact O-N 3.08Å; L602-S605 PolarHBondContact O-OG 3.44Å; L602-H606 WeakPolarHBondContact O-CB 3.29Å; L602-H606 PolarHBondContact O-N 2.93Å
603P80.4Confident89.2Confident94 Ų9429.4 Ų29.461%0.6114%0.14SC*.Hα-helixtrans-55.1-39.1-172.3-2935.2000114.4R601 S605R601-P603 WeakPolarHBondContact O-CD 3.03Å; P603-S605 PolarHBondContact O-N 2.91Å
604I79.9Confident89.2Confident29 Ų2929.3 Ų29.315%0.14914%0.138CC..Hα-helixtrans-68.6-30.4-177.957.3159.3000113.2E275 S276 L602E275-I604 CarbonylContact O-C 3.18Å; E275-I604 WeakPolarHBondContact O-CB 3.38Å; S276-I604 CarbonylContact C-O 3.35Å; L602-I604 VanDerWaalsContact C-N 3.27Å; L602-I604 HydrophobicContact CD2-CD1 3.8Å; L602-I604 HydrophobicContact CD2-CG1 3.54Å; L602-I604 HydrophobicContact CG-CD1 4.4Å; L602-I604 HydrophobicContact CG-CG1 3.67Å; L602-I604 PolarHBondContact O-N 3.48Å; L602-I604 VanDerWaalsContact O-N 3.15Å
605S86.5Confident89.1Confident2 Ų228.9 Ų28.91%0.01414%0.135CC..Hα-helixtrans-104.3-18.6-179.447.80000113.9L599 L602 P603 K607 R608 T609L599-S605 WeakPolarHBondContact CA-OG 3.29Å; L599-S605 CarbonylContact O-C 3.58Å; L599-S605 WeakPolarHBondContact O-CB 3.11Å; L599-S605 PolarHBondContact O-OG 2.87Å; L602-S605 WeakPolarHBondContact CB-OG 2.95Å; L602-S605 PolarHBondContact O-N 3.19Å; L602-S605 VanDerWaalsContact O-N 3.08Å; L602-S605 PolarHBondContact O-OG 3.44Å; P603-S605 PolarHBondContact O-N 2.91Å; S605-K607 PolarHBondContact O-N 3.33Å; S605-R608 PolarHBondContact O-N 3.47Å; S605-R608 VanDerWaalsContact O-N 3.12Å; S605-T609 PolarHBondContact O-N 3.42Å; S605-T609 PolarHBondContact O-OG1 3.19Å; S605-T609 VanDerWaalsContact O-OG1 3.04Å
606H88.1Confident89.1Confident62 Ų6228.9 Ų28.929%0.28714%0.135SC..Hα-helixtrans-46.4-55.5-174173.170.4000112.9L599 Y600 L602 R608 T609 K610L599-H606 PolarHBondContact O-N 3.24Å; Y600-H606 AromaticContact CD1-ND1 3.82Å; Y600-H606 AromaticContact CE1-CE1 3.55Å; Y600-H606 AromaticContact CE1-ND1 3.82Å; Y600-H606 AromaticContact CE2-CE1 3.89Å; Y600-H606 AromaticContact CG-ND1 3.96Å; Y600-H606 AromaticContact CZ-CE1 3.47Å; Y600-H606 VanDerWaalsContact CZ-CE1 3.47Å; Y600-H606 AromaticContact CZ-ND1 3.95Å; Y600-H606 WeakPolarHBondContact O-CB 3.48Å; Y600-H606 PolarHBondContact O-ND1 2.97Å; L602-H606 WeakPolarHBondContact O-CB 3.29Å; L602-H606 PolarHBondContact O-N 2.93Å; H606-R608 VanDerWaalsContact C-N 3.32Å; H606-R608 PolarHBondContact O-N 3.19Å; H606-T609 PolarHBondContact O-N 3.22Å; H606-K610 WeakPolarHBondContact O-CB 3.39Å; H606-K610 PolarHBondContact O-N 3.48Å
607K84.7Confident89.2Confident78 Ų7830.9 Ų30.934%0.33915%0.146SC..Hα-helixtrans-58.4-44.8-175-64.1-169.7177.1-164.60111.6D395 I396 S605 V611D395-K607 IonicContact OD1-NZ 3.92Å; I396-K607 HydrophobicContact CD1-CB 3.85Å; S605-K607 PolarHBondContact O-N 3.33Å; K607-V611 WeakPolarHBondContact O-CG2 3.32Å; K607-V611 PolarHBondContact O-N 3.44Å; K607-V611 VanDerWaalsContact O-N 3.07Å
608R85.8Confident89.3Confident13 Ų1333.1 Ų33.15%0.04915%0.154CC..Hα-helixtrans-71.9-42.6179.2-79.4-65.8177123-8113.3R277 E279 I396 L570 S605 H606 K610 V611 Y612R277-R608 WeakPolarHBondContact O-CG 3.35Å; R277-R608 PolarHBondContact O-NE 3.01Å; E279-R608 IonicContact OE1-CZ 3.19Å; E279-R608 IonicContact OE1-NH1 2.87Å; E279-R608 PolarHBondContact OE1-NH1 3.42Å; E279-R608 IonicContact OE1-NH2 3.35Å; E279-R608 PolarHBondContact OE1-NH2 3.02Å; E279-R608 IonicContact OE2-NH1 2.76Å; E279-R608 PolarHBondContact OE2-NH1 3.46Å; I396-R608 HydrophobicContact CD1-CG 3.75Å; I396-R608 VanDerWaalsContact CD1-NE 3.28Å; L570-R608 HydrophobicContact CD1-CB 3.82Å; L570-R608 HydrophobicContact CD2-CB 4.49Å; S605-R608 PolarHBondContact O-N 3.47Å; S605-R608 VanDerWaalsContact O-N 3.12Å; H606-R608 VanDerWaalsContact C-N 3.32Å; H606-R608 PolarHBondContact O-N 3.19Å; R608-K610 PolarHBondContact O-N 2.96Å; R608-V611 PolarHBondContact O-N 2.95Å; R608-Y612 HydrophobicContact CB-CE2 4.39Å; R608-Y612 PolarHBondContact NH1-OH 3.4Å; R608-Y612 WeakPolarHBondContact O-CD2 3Å; R608-Y612 PolarHBondContact O-N 3.41Å
609T90.1Very high89.3Confident0 Ų034.1 Ų34.10%016%0.158CC..Hα-helixtrans-57.9-42.9175.6-55.90000110.3L592 L599 Y600 S605 H606 Y612 L613L592-T609 HydrophobicContact CD2-CG2 4.29Å; L599-T609 HydrophobicContact CB-CG2 4.18Å; L599-T609 WeakPolarHBondContact CB-OG1 3.49Å; Y600-T609 HydrophobicContact CD2-CG2 4.13Å; S605-T609 PolarHBondContact O-N 3.42Å; S605-T609 PolarHBondContact O-OG1 3.19Å; S605-T609 VanDerWaalsContact O-OG1 3.04Å; H606-T609 PolarHBondContact O-N 3.22Å; T609-Y612 PolarHBondContact O-N 3.31Å; T609-L613 HydrophobicContact CG2-CD1 4.1Å; T609-L613 WeakPolarHBondContact O-CB 3.47Å; T609-L613 VanDerWaalsContact O-CG 3.22Å; T609-L613 WeakPolarHBondContact O-CG 3.36Å; T609-L613 PolarHBondContact O-N 3.43Å
610K90.2Very high89.4Confident89 Ų8935.7 Ų35.739%0.38717%0.165SC..Hα-helixtrans-59.4-50.3174-175179175-175.40112.3Y600 H606 R608 Y612 L613 E614Y600-K610 HydrophobicContact CD2-CB 4.44Å; Y600-K610 HydrophobicContact CE2-CB 3.79Å; Y600-K610 HydrophobicContact CE2-CG 4.14Å; H606-K610 WeakPolarHBondContact O-CB 3.39Å; H606-K610 PolarHBondContact O-N 3.48Å; R608-K610 PolarHBondContact O-N 2.96Å; K610-Y612 PolarHBondContact O-N 3.24Å; K610-L613 WeakPolarHBondContact O-CB 3.02Å; K610-L613 PolarHBondContact O-N 3.38Å; K610-E614 WeakPolarHBondContact CE-OE1 3.33Å; K610-E614 WeakPolarHBondContact O-CG 3.49Å; K610-E614 PolarHBondContact O-N 3.22Å
611V89.9Confident89.5Confident9 Ų938.9 Ų38.96%0.05519%0.188CC..Hα-helixtrans-58.3-45.6178.2170.30000111.6I396 I398 V401 K607 R608 E614 I615I396-V611 HydrophobicContact CB-CG2 4.2Å; I396-V611 HydrophobicContact CG2-CG1 4.48Å; I396-V611 HydrophobicContact CG2-CG2 4.03Å; I398-V611 HydrophobicContact CG1-CG1 4.24Å; I398-V611 HydrophobicContact CG1-CG2 4.09Å; I398-V611 HydrophobicContact CG2-CG1 4.43Å; V401-V611 HydrophobicContact CB-CG1 4.17Å; V401-V611 HydrophobicContact CG1-CG1 4.27Å; V401-V611 HydrophobicContact CG2-CG1 4.07Å; K607-V611 WeakPolarHBondContact O-CG2 3.32Å; K607-V611 PolarHBondContact O-N 3.44Å; K607-V611 VanDerWaalsContact O-N 3.07Å; R608-V611 PolarHBondContact O-N 2.95Å; V611-E614 PolarHBondContact O-N 3.17Å; V611-I615 HydrophobicContact CG1-CD1 3.76Å; V611-I615 HydrophobicContact CG1-CG1 4.45Å; V611-I615 VanDerWaalsContact O-CG1 3.29Å; V611-I615 WeakPolarHBondContact O-CG1 3.08Å; V611-I615 PolarHBondContact O-N 3Å
612Y93.2Very high89.6Confident4 Ų438.9 Ų38.92%0.01620%0.203CC..Hα-helixtrans-66.6-38178.4-66.2-36.9000113.1V401 L570 L573 K574 L577 R608 T609 K610 E614 I615 M616V401-Y612 HydrophobicContact CG1-CD1 4.47Å; V401-Y612 HydrophobicContact CG1-CE1 3.88Å; L570-Y612 HydrophobicContact CB-CE2 4.2Å; L570-Y612 HydrophobicContact CD2-CD2 4.02Å; L570-Y612 HydrophobicContact CD2-CE2 4.12Å; L573-Y612 HydrophobicContact CD2-CD2 3.74Å; L573-Y612 HydrophobicContact CD2-CG 4.07Å; L573-Y612 HydrophobicContact CG-CD2 4.18Å; L573-Y612 HydrophobicContact CG-CG 4.39Å; K574-Y612 HydrophobicContact CB-CE1 4.41Å; L577-Y612 HydrophobicContact CD1-CD1 3.42Å; L577-Y612 VanDerWaalsContact CD1-CD1 3.42Å; L577-Y612 HydrophobicContact CD1-CE1 4.05Å; L577-Y612 HydrophobicContact CD1-CG 4Å; R608-Y612 HydrophobicContact CB-CE2 4.39Å; R608-Y612 PolarHBondContact NH1-OH 3.4Å; R608-Y612 WeakPolarHBondContact O-CD2 3Å; R608-Y612 PolarHBondContact O-N 3.41Å; T609-Y612 PolarHBondContact O-N 3.31Å; K610-Y612 PolarHBondContact O-N 3.24Å; Y612-E614 VanDerWaalsContact C-N 3.35Å; Y612-I615 HydrophobicContact CD1-CD1 4.37Å; Y612-I615 PolarHBondContact O-N 3.4Å; Y612-M616 VanDerWaalsContact O-CG 3.27Å; Y612-M616 WeakPolarHBondContact O-CG 3.25Å; Y612-M616 PolarHBondContact O-N 2.95Å
613L93.4Very high89.8Confident2 Ų242.2 Ų42.21%0.0122%0.221CC..Hα-helixtrans-61-42.7173.4-79172.9000111.9L592 Y600 T609 K610 M616 L617 Y637 C640L592-L613 HydrophobicContact CD1-CD2 3.82Å; Y600-L613 HydrophobicContact CD2-CD1 3.85Å; Y600-L613 HydrophobicContact CE2-CD1 4.15Å; T609-L613 HydrophobicContact CG2-CD1 4.1Å; T609-L613 WeakPolarHBondContact O-CB 3.47Å; T609-L613 VanDerWaalsContact O-CG 3.22Å; T609-L613 WeakPolarHBondContact O-CG 3.36Å; T609-L613 PolarHBondContact O-N 3.43Å; K610-L613 WeakPolarHBondContact O-CB 3.02Å; K610-L613 PolarHBondContact O-N 3.38Å; L613-M616 WeakPolarHBondContact O-CB 3.41Å; L613-M616 PolarHBondContact O-N 2.93Å; L613-L617 PolarHBondContact O-N 2.92Å; L613-L617 VanDerWaalsContact O-N 3.11Å; L613-Y637 HydrophobicContact CB-CD2 3.83Å; L613-Y637 HydrophobicContact CB-CE2 4.03Å; L613-Y637 HydrophobicContact CD2-CD2 4.25Å; L613-Y637 HydrophobicContact CG-CD2 4.48Å; L613-C640 HydrophobicContact CD1-CB 3.68Å; L613-C640 HydrophobicContact CD2-CB 4.36Å
614E93.5Very high90.1Very high47 Ų4745.8 Ų45.822%0.2223%0.229CC..Hα-helixtrans-67.5-41.1176.4-70.8-179.3-162.900112.1I398 K610 V611 Y612 M616 L617 R618I398-E614 WeakPolarHBondContact CD1-OE2 3.48Å; K610-E614 WeakPolarHBondContact CE-OE1 3.33Å; K610-E614 WeakPolarHBondContact O-CG 3.49Å; K610-E614 PolarHBondContact O-N 3.22Å; V611-E614 PolarHBondContact O-N 3.17Å; Y612-E614 VanDerWaalsContact C-N 3.35Å; E614-M616 VanDerWaalsContact C-N 3.3Å; E614-M616 PolarHBondContact O-N 3.44Å; E614-L617 PolarHBondContact O-N 3.2Å; E614-R618 WeakPolarHBondContact O-CG 3.46Å; E614-R618 PolarHBondContact O-N 2.72Å
615I93.3Very high90.3Very high1 Ų145.7 Ų45.71%0.00523%0.228CC..Hα-helixtrans-60.7-40173.6-69.8168.5000110.9I398 V401 E402 L405 L577 V611 Y612 R618 K619I398-I615 HydrophobicContact CG2-CD1 4.33Å; I398-I615 HydrophobicContact CG2-CG1 3.85Å; V401-I615 HydrophobicContact CB-CD1 4.06Å; V401-I615 HydrophobicContact CG1-CD1 3.62Å; E402-I615 HydrophobicContact CG-CD1 4.14Å; E402-I615 HydrophobicContact CG-CG1 3.95Å; L405-I615 HydrophobicContact CD1-CD1 3.93Å; L405-I615 HydrophobicContact CD1-CG2 3.98Å; L577-I615 HydrophobicContact CD1-CG2 4.25Å; V611-I615 HydrophobicContact CG1-CD1 3.76Å; V611-I615 HydrophobicContact CG1-CG1 4.45Å; V611-I615 VanDerWaalsContact O-CG1 3.29Å; V611-I615 WeakPolarHBondContact O-CG1 3.08Å; V611-I615 PolarHBondContact O-N 3Å; Y612-I615 HydrophobicContact CD1-CD1 4.37Å; Y612-I615 PolarHBondContact O-N 3.4Å; I615-R618 PolarHBondContact O-N 3.39Å; I615-K619 HydrophobicContact CG2-CD 4.11Å; I615-K619 HydrophobicContact CG2-CG 4.42Å; I615-K619 WeakPolarHBondContact O-CB 3.39Å; I615-K619 WeakPolarHBondContact O-CG 3.28Å; I615-K619 PolarHBondContact O-N 3.09Å
616M94.1Very high90.4Very high2 Ų250.9 Ų50.91%0.0126%0.256CS..Hα-helixtrans-61.8-43.6175.4-74.4171.16500111.9L577 F580 A588 L592 Y612 L613 E614 K619 K620 I633L577-M616 HydrophobicContact CD2-CG 3.69Å; F580-M616 HydrophobicContact CE1-CB 4.3Å; F580-M616 HydrophobicContact CE1-CG 4.17Å; F580-M616 HydrophobicContact CE2-CE 4.39Å; F580-M616 HydrophobicContact CE2-CG 4.13Å; F580-M616 HydrophobicContact CZ-CB 4.19Å; F580-M616 HydrophobicContact CZ-CE 3.8Å; F580-M616 HydrophobicContact CZ-CG 3.66Å; F580-M616 HydrophobicContact CZ-SD 4.36Å; A588-M616 HydrophobicContact CB-CE 4.39Å; L592-M616 HydrophobicContact CD1-CE 3.92Å; L592-M616 HydrophobicContact CD1-SD 3.49Å; L592-M616 WeakPolarHBondContact CD1-SD 3.41Å; Y612-M616 VanDerWaalsContact O-CG 3.27Å; Y612-M616 WeakPolarHBondContact O-CG 3.25Å; Y612-M616 PolarHBondContact O-N 2.95Å; L613-M616 WeakPolarHBondContact O-CB 3.41Å; L613-M616 PolarHBondContact O-N 2.93Å; E614-M616 VanDerWaalsContact C-N 3.3Å; E614-M616 PolarHBondContact O-N 3.44Å; M616-K619 PolarHBondContact O-N 2.95Å; M616-K620 WeakPolarHBondContact O-CB 3.37Å; M616-K620 PolarHBondContact O-N 2.99Å; M616-I633 HydrophobicContact CB-CG2 4.13Å; M616-I633 HydrophobicContact CE-CG2 4.49Å
617L93.2Very high90.6Very high41 Ų4154 Ų5422%0.21527%0.271CS..Hα-helixtrans-64.2-43174.7-75.7179.7000112.2L613 E614 K620 V621 I633 E634 Y637L613-L617 PolarHBondContact O-N 2.92Å; L613-L617 VanDerWaalsContact O-N 3.11Å; E614-L617 PolarHBondContact O-N 3.2Å; L617-K620 WeakPolarHBondContact O-CB 3.39Å; L617-K620 PolarHBondContact O-N 3.32Å; L617-V621 PolarHBondContact O-N 3.27Å; L617-I633 HydrophobicContact CD2-CG2 4.24Å; L617-E634 HydrophobicContact CD2-CG 4.46Å; L617-Y637 HydrophobicContact CD1-CD1 4.01Å; L617-Y637 HydrophobicContact CD1-CD2 3.38Å; L617-Y637 HydrophobicContact CD1-CE1 3.98Å; L617-Y637 HydrophobicContact CD1-CE2 3.36Å; L617-Y637 HydrophobicContact CD1-CG 3.73Å; L617-Y637 HydrophobicContact CD2-CD2 4.49Å; L617-Y637 HydrophobicContact CD2-CG 4.33Å; L617-Y637 HydrophobicContact CG-CD2 3.79Å; L617-Y637 HydrophobicContact CG-CE2 4.21Å; L617-Y637 HydrophobicContact CG-CG 4.12Å
618R93.9Very high91.1Very high96 Ų9657.6 Ų57.636%0.36228%0.282SS..Hα-helixtrans-61.7-45.3175.7-71.6177.7-174.4-1703.4111.4I398 D399 E402 E614 I615 K620 V621 A622I398-R618 VanDerWaalsContact CG2-CZ 3.49Å; I398-R618 VanDerWaalsContact CG2-NH1 3.31Å; D399-R618 IonicContact OD1-NH1 3.24Å; D399-R618 PolarHBondContact OD1-NH1 3.41Å; E402-R618 WeakPolarHBondContact OE1-CD 3.37Å; E402-R618 IonicContact OE1-CZ 2.69Å; E402-R618 IonicContact OE1-NE 3.55Å; E402-R618 IonicContact OE1-NH1 3.33Å; E402-R618 PolarHBondContact OE1-NH1 3.45Å; E402-R618 VanDerWaalsContact OE1-NH1 3.08Å; E402-R618 IonicContact OE2-NH1 3.41Å; E402-R618 PolarHBondContact OE2-NH1 3.45Å; E614-R618 WeakPolarHBondContact O-CG 3.46Å; E614-R618 PolarHBondContact O-N 2.72Å; I615-R618 PolarHBondContact O-N 3.39Å; R618-K620 PolarHBondContact O-N 3.34Å; R618-V621 PolarHBondContact O-N 2.96Å; R618-A622 WeakPolarHBondContact O-CB 3.43Å; R618-A622 PolarHBondContact O-N 2.91Å
619K92.1Very high91.5Very high30 Ų3058.5 Ų58.513%0.1329%0.286CS..Hα-helixtrans-64.7-36.5176.8-79.1-178.7175.1-96.80112.6E409 L577 F580 I615 M616 V621 A622 L623E409-K619 IonicContact OE1-NZ 3.59Å; E409-K619 PolarHBondContact OE1-NZ 3.31Å; L577-K619 WeakPolarHBondContact O-CE 3.37Å; L577-K619 PolarHBondContact O-NZ 3.25Å; F580-K619 HydrophobicContact CB-CD 3.85Å; F580-K619 HydrophobicContact CD1-CB 3.97Å; F580-K619 HydrophobicContact CD1-CD 4.24Å; F580-K619 HydrophobicContact CG-CD 4.26Å; I615-K619 HydrophobicContact CG2-CD 4.11Å; I615-K619 HydrophobicContact CG2-CG 4.42Å; I615-K619 WeakPolarHBondContact O-CB 3.39Å; I615-K619 WeakPolarHBondContact O-CG 3.28Å; I615-K619 PolarHBondContact O-N 3.09Å; M616-K619 PolarHBondContact O-N 2.95Å; K619-V621 VanDerWaalsContact C-N 3.32Å; K619-V621 PolarHBondContact O-N 3.08Å; K619-A622 PolarHBondContact O-N 3.18Å; K619-L623 HydrophobicContact CB-CD1 4.21Å; K619-L623 VanDerWaalsContact O-CB 3.3Å; K619-L623 WeakPolarHBondContact O-CB 3.5Å; K619-L623 WeakPolarHBondContact O-CG 3.47Å; K619-L623 PolarHBondContact O-N 3.14Å
620K93.1Very high91.7Very high35 Ų3559.1 Ų59.115%0.15229%0.29CS..Hα-helixtrans-54.6-48.1172-178-166.776.491.80111.3M616 L617 R618 I633 E634M616-K620 WeakPolarHBondContact O-CB 3.37Å; M616-K620 PolarHBondContact O-N 2.99Å; L617-K620 WeakPolarHBondContact O-CB 3.39Å; L617-K620 PolarHBondContact O-N 3.32Å; R618-K620 PolarHBondContact O-N 3.34Å; K620-I633 HydrophobicContact CB-CD1 4Å; K620-I633 HydrophobicContact CB-CG2 4.39Å; K620-I633 HydrophobicContact CD-CB 4.35Å; K620-I633 HydrophobicContact CD-CG2 4.33Å; K620-I633 HydrophobicContact CG-CD1 4.19Å; K620-E634 HydrophobicContact CD-CG 4.07Å; K620-E634 VanDerWaalsContact CE-OE1 3.26Å; K620-E634 WeakPolarHBondContact CE-OE1 3.25Å; K620-E634 IonicContact NZ-OE1 3.8Å; K620-E634 PolarHBondContact NZ-OE1 3.42Å
621V91.1Very high91.9Very high97 Ų9758.2 Ų58.259%0.58829%0.289SS*.Hα-helixtrans-69.9-48.7179.4177.30000111L617 R618 K619 L623 H624L617-V621 PolarHBondContact O-N 3.27Å; R618-V621 PolarHBondContact O-N 2.96Å; K619-V621 VanDerWaalsContact C-N 3.32Å; K619-V621 PolarHBondContact O-N 3.08Å; V621-L623 PolarHBondContact O-N 3.24Å; V621-H624 PolarHBondContact O-N 3.13Å
622A90.2Very high92.1Very high74 Ų7459.9 Ų59.961%0.61230%0.296SS*.Hα-helixtrans-68-33.1-173.600000114.1R618 K619R618-A622 WeakPolarHBondContact O-CB 3.43Å; R618-A622 PolarHBondContact O-N 2.91Å; K619-A622 PolarHBondContact O-N 3.18Å
623L89Confident92.2Very high82 Ų8259.7 Ų59.743%0.42930%0.296SS..THydrogen-bonded Turntrans-96.54.3-176.7-61.7168.5000113.5K619 V621 M625K619-L623 HydrophobicContact CB-CD1 4.21Å; K619-L623 VanDerWaalsContact O-CB 3.3Å; K619-L623 WeakPolarHBondContact O-CB 3.5Å; K619-L623 WeakPolarHBondContact O-CG 3.47Å; K619-L623 PolarHBondContact O-N 3.14Å; V621-L623 PolarHBondContact O-N 3.24Å; L623-M625 VanDerWaalsContact C-N 3.34Å; L623-M625 HydrophobicContact CB-CE 3.09Å; L623-M625 HydrophobicContact CB-CG 4.45Å; L623-M625 HydrophobicContact CD1-CE 3.49Å; L623-M625 VanDerWaalsContact CD1-CE 3.49Å; L623-M625 HydrophobicContact CG-CE 3.89Å; L623-M625 PolarHBondContact O-N 3.05Å
624H85.8Confident92.2Very high168 Ų16862.5 Ų62.578%0.77831%0.309SS*.THydrogen-bonded Turntrans45.954.1-179.4-62.8-76.2000113.1V621V621-H624 PolarHBondContact O-N 3.13Å
625M85.1Confident92.2Very high28 Ų2865.2 Ų65.214%0.13833%0.325CS..  trans-60.1146.7-176.8-70-69.6137.900112.4V581 I585 L623 S630V581-M625 HydrophobicContact CG1-CE 4.32Å; V581-M625 HydrophobicContact CG2-CE 4.39Å; I585-M625 HydrophobicContact CD1-CG 4.49Å; I585-M625 HydrophobicContact CD1-SD 3.55Å; I585-M625 VanDerWaalsContact CD1-SD 3.55Å; L623-M625 VanDerWaalsContact C-N 3.34Å; L623-M625 HydrophobicContact CB-CE 3.09Å; L623-M625 HydrophobicContact CB-CG 4.45Å; L623-M625 HydrophobicContact CD1-CE 3.49Å; L623-M625 VanDerWaalsContact CD1-CE 3.49Å; L623-M625 HydrophobicContact CG-CE 3.89Å; L623-M625 PolarHBondContact O-N 3.05Å; M625-S630 PolarHBondContact O-OG 3.14Å
626D89.3Confident92.4Very high111 Ų11165.2 Ų65.259%0.59433%0.325SS*.  trans-55.8151.3170.7177.536.1000111.2R628 Y629 S630D626-R628 PolarHBondContact O-N 3.06Å; D626-R628 VanDerWaalsContact O-N 3.12Å; D626-Y629 PolarHBondContact O-N 3.19Å; D626-S630 PolarHBondContact O-N 3.18Å; D626-S630 PolarHBondContact O-OG 3.13Å
627Q92.2Very high92.4Very high127 Ų12767 Ų6759%0.59333%0.332SS*.Hα-helixtrans-52.5-39.4-174.2-171.963.829.400112.2Y629 S630 I631Q627-Y629 PolarHBondContact O-N 2.98Å; Q627-S630 PolarHBondContact O-N 2.91Å; Q627-I631 HydrophobicContact CG-CD1 3.81Å; Q627-I631 HydrophobicContact CG-CG1 4.36Å; Q627-I631 VanDerWaalsContact O-CG1 3.29Å; Q627-I631 WeakPolarHBondContact O-CG1 3.29Å; Q627-I631 PolarHBondContact O-N 2.7Å
628R94.1Very high92.3Very high153 Ų15371 Ų7158%0.57735%0.345SS*.Hα-helixtrans-58.6-48.5178.5176.2-176.6156.4168.1-5.7112.1D586 D626 M632D586-R628 IonicContact OD1-NH2 3.48Å; D626-R628 PolarHBondContact O-N 3.06Å; D626-R628 VanDerWaalsContact O-N 3.12Å; R628-M632 WeakPolarHBondContact O-CB 3.36Å; R628-M632 PolarHBondContact O-N 3.33Å; R628-M632 VanDerWaalsContact O-N 3.15Å
629Y95.2Very high92.1Very high32 Ų3271.1 Ų71.113%0.12535%0.346CS..Hα-helixtrans-74.1-34.8-179.2-68.8-59.3000111.6I585 D626 Q627 M632 I633I585-Y629 HydrophobicContact CB-CD1 3.97Å; I585-Y629 HydrophobicContact CB-CE1 4.38Å; I585-Y629 HydrophobicContact CD1-CD1 4.07Å; I585-Y629 HydrophobicContact CD1-CD2 4.33Å; I585-Y629 HydrophobicContact CD1-CG 3.88Å; I585-Y629 HydrophobicContact CG2-CD1 3.8Å; I585-Y629 HydrophobicContact CG2-CG 4.37Å; D626-Y629 PolarHBondContact O-N 3.19Å; Q627-Y629 PolarHBondContact O-N 2.98Å; Y629-M632 PolarHBondContact O-N 3.31Å; Y629-I633 WeakPolarHBondContact O-CD1 3.47Å; Y629-I633 VanDerWaalsContact O-CG1 3.28Å; Y629-I633 WeakPolarHBondContact O-CG1 3.36Å; Y629-I633 PolarHBondContact O-N 3.38Å
630S94.2Very high92.1Very high13 Ų1369.8 Ų69.89%0.09134%0.34CS..Hα-helixtrans-58.7-49.6174.6-68.60000111.9M625 D626 Q627 M632 I633 E634M625-S630 PolarHBondContact O-OG 3.14Å; D626-S630 PolarHBondContact O-N 3.18Å; D626-S630 PolarHBondContact O-OG 3.13Å; Q627-S630 PolarHBondContact O-N 2.91Å; S630-M632 VanDerWaalsContact C-N 3.33Å; S630-M632 PolarHBondContact O-N 2.96Å; S630-I633 PolarHBondContact O-N 3.09Å; S630-E634 WeakPolarHBondContact O-CG 3.44Å; S630-E634 PolarHBondContact O-N 3.4Å
631I94Very high91.8Very high70 Ų7070.5 Ų70.536%0.35935%0.346SS..Hα-helixtrans-61.6-41.9175.6-66.8167.9000110.9Q627 I633 E634 N635Q627-I631 HydrophobicContact CG-CD1 3.81Å; Q627-I631 HydrophobicContact CG-CG1 4.36Å; Q627-I631 VanDerWaalsContact O-CG1 3.29Å; Q627-I631 WeakPolarHBondContact O-CG1 3.29Å; Q627-I631 PolarHBondContact O-N 2.7Å; I631-I633 PolarHBondContact O-N 3.3Å; I631-E634 PolarHBondContact O-N 3.45Å; I631-N635 WeakPolarHBondContact O-CB 3.13Å; I631-N635 PolarHBondContact O-N 3.28Å; I631-N635 PolarHBondContact O-OD1 3.37Å
632M93.9Very high91.3Very high44 Ų4468.6 Ų68.622%0.21734%0.336CS..Hα-helixtrans-61.5-43.8180-172.7-178.3-68.600112.3D586 C589 R628 Y629 S630 T636D586-M632 WeakPolarHBondContact OD1-CE 3.47Å; C589-M632 HydrophobicContact CB-CG 3.81Å; C589-M632 HydrophobicContact CB-SD 3.89Å; R628-M632 WeakPolarHBondContact O-CB 3.36Å; R628-M632 PolarHBondContact O-N 3.33Å; R628-M632 VanDerWaalsContact O-N 3.15Å; Y629-M632 PolarHBondContact O-N 3.31Å; S630-M632 VanDerWaalsContact C-N 3.33Å; S630-M632 PolarHBondContact O-N 2.96Å; M632-T636 WeakPolarHBondContact O-CB 3.45Å; M632-T636 PolarHBondContact O-N 3.38Å; M632-T636 PolarHBondContact O-OG1 2.89Å
633I94.7Very high90.6Very high1 Ų169 Ų691%0.00533%0.332CS..Hα-helixtrans-65.6-43.5178-67.1161.8000110.6F580 I585 M616 L617 K620 Y629 S630 I631 T636 Y637F580-I633 HydrophobicContact CE1-CD1 3.65Å; F580-I633 HydrophobicContact CE1-CG1 4.24Å; F580-I633 HydrophobicContact CZ-CD1 4.17Å; F580-I633 HydrophobicContact CZ-CG1 4.27Å; I585-I633 HydrophobicContact CG2-CD1 3.96Å; I585-I633 HydrophobicContact CG2-CG1 3.83Å; M616-I633 HydrophobicContact CB-CG2 4.13Å; M616-I633 HydrophobicContact CE-CG2 4.49Å; L617-I633 HydrophobicContact CD2-CG2 4.24Å; K620-I633 HydrophobicContact CB-CD1 4Å; K620-I633 HydrophobicContact CB-CG2 4.39Å; K620-I633 HydrophobicContact CD-CB 4.35Å; K620-I633 HydrophobicContact CD-CG2 4.33Å; K620-I633 HydrophobicContact CG-CD1 4.19Å; Y629-I633 WeakPolarHBondContact O-CD1 3.47Å; Y629-I633 VanDerWaalsContact O-CG1 3.28Å; Y629-I633 WeakPolarHBondContact O-CG1 3.36Å; Y629-I633 PolarHBondContact O-N 3.38Å; S630-I633 PolarHBondContact O-N 3.09Å; I631-I633 PolarHBondContact O-N 3.3Å; I633-T636 PolarHBondContact O-N 2.98Å; I633-Y637 WeakPolarHBondContact O-CB 3.43Å; I633-Y637 PolarHBondContact O-N 3.48Å
634E94.4Very high89.6Confident61 Ų6171.1 Ų71.129%0.28535%0.351SS..Hα-helixtrans-63.7-46.8177.6-73.5170.1-169.900111.7L617 K620 S630 I631 T636 Y637 Y638L617-E634 HydrophobicContact CD2-CG 4.46Å; K620-E634 HydrophobicContact CD-CG 4.07Å; K620-E634 VanDerWaalsContact CE-OE1 3.26Å; K620-E634 WeakPolarHBondContact CE-OE1 3.25Å; K620-E634 IonicContact NZ-OE1 3.8Å; K620-E634 PolarHBondContact NZ-OE1 3.42Å; S630-E634 WeakPolarHBondContact O-CG 3.44Å; S630-E634 PolarHBondContact O-N 3.4Å; I631-E634 PolarHBondContact O-N 3.45Å; E634-T636 VanDerWaalsContact C-N 3.32Å; E634-T636 PolarHBondContact O-N 3Å; E634-Y637 WeakPolarHBondContact O-CB 3.33Å; E634-Y637 PolarHBondContact O-N 2.93Å; E634-Y637 VanDerWaalsContact O-N 3.16Å; E634-Y638 HydrophobicContact CB-CD2 4.43Å; E634-Y638 HydrophobicContact CB-CE2 4.29Å; E634-Y638 WeakPolarHBondContact O-CD2 3.45Å; E634-Y638 PolarHBondContact O-N 2.95Å
635N93.8Very high88.2Confident103 Ų10367.2 Ų67.255%0.55134%0.342SS*.Hα-helixtrans-59-43.9175.8-72.4-6.6000111.4I631 Y637 Y638 Y639I631-N635 WeakPolarHBondContact O-CB 3.13Å; I631-N635 PolarHBondContact O-N 3.28Å; I631-N635 PolarHBondContact O-OD1 3.37Å; N635-Y637 VanDerWaalsContact C-N 3.34Å; N635-Y637 PolarHBondContact O-N 3.16Å; N635-Y638 PolarHBondContact O-N 3.21Å; N635-Y639 WeakPolarHBondContact O-CB 3.46Å; N635-Y639 PolarHBondContact O-N 3.46Å
636T96Very high86.6Confident1 Ų173.9 Ų73.91%0.00638%0.378CS..Hα-helixtrans-61.5-43.6176.4-54.90000111.1C589 L592 D593 M632 I633 E634 Y639 C640C589-T636 HydrophobicContact CB-CG2 4.45Å; C589-T636 VanDerWaalsContact CB-OG1 3.3Å; C589-T636 WeakPolarHBondContact CB-OG1 3.49Å; C589-T636 PolarHBondContact SG-OG1 2.84Å; L592-T636 HydrophobicContact CB-CG2 3.44Å; L592-T636 VanDerWaalsContact CB-CG2 3.44Å; L592-T636 HydrophobicContact CD1-CG2 3.98Å; L592-T636 HydrophobicContact CG-CG2 4.38Å; D593-T636 PolarHBondContact OD1-OG1 2.83Å; M632-T636 WeakPolarHBondContact O-CB 3.45Å; M632-T636 PolarHBondContact O-N 3.38Å; M632-T636 PolarHBondContact O-OG1 2.89Å; I633-T636 PolarHBondContact O-N 2.98Å; E634-T636 VanDerWaalsContact C-N 3.32Å; E634-T636 PolarHBondContact O-N 3Å; T636-Y639 PolarHBondContact O-N 3.15Å; T636-C640 PolarHBondContact O-N 2.94Å; T636-C640 PolarHBondContact O-SG 3.19Å
637Y94.4Very high84.7Confident41 Ų4178.8 Ų78.816%0.16139%0.389CS..Hα-helixtrans-61.5-51179.2179.9-89.3000111.5L613 L617 I633 E634 N635 Y639 C640 N641L613-Y637 HydrophobicContact CB-CD2 3.83Å; L613-Y637 HydrophobicContact CB-CE2 4.03Å; L613-Y637 HydrophobicContact CD2-CD2 4.25Å; L613-Y637 HydrophobicContact CG-CD2 4.48Å; L617-Y637 HydrophobicContact CD1-CD1 4.01Å; L617-Y637 HydrophobicContact CD1-CD2 3.38Å; L617-Y637 HydrophobicContact CD1-CE1 3.98Å; L617-Y637 HydrophobicContact CD1-CE2 3.36Å; L617-Y637 HydrophobicContact CD1-CG 3.73Å; L617-Y637 HydrophobicContact CD2-CD2 4.49Å; L617-Y637 HydrophobicContact CD2-CG 4.33Å; L617-Y637 HydrophobicContact CG-CD2 3.79Å; L617-Y637 HydrophobicContact CG-CE2 4.21Å; L617-Y637 HydrophobicContact CG-CG 4.12Å; I633-Y637 WeakPolarHBondContact O-CB 3.43Å; I633-Y637 PolarHBondContact O-N 3.48Å; E634-Y637 WeakPolarHBondContact O-CB 3.33Å; E634-Y637 PolarHBondContact O-N 2.93Å; E634-Y637 VanDerWaalsContact O-N 3.16Å; N635-Y637 VanDerWaalsContact C-N 3.34Å; N635-Y637 PolarHBondContact O-N 3.16Å; Y637-Y639 VanDerWaalsContact C-N 3.31Å; Y637-Y639 PolarHBondContact O-N 2.88Å; Y637-C640 PolarHBondContact O-N 3.28Å; Y637-N641 PolarHBondContact O-N 3.12Å
638Y91.9Very high82.5Confident124 Ų12480.9 Ų80.949%0.48640%0.398SS..Hα-helixtrans-73.1-22.3178.7-64.3-58.5000113.2E634 N635 N641 P642E634-Y638 HydrophobicContact CB-CD2 4.43Å; E634-Y638 HydrophobicContact CB-CE2 4.29Å; E634-Y638 WeakPolarHBondContact O-CD2 3.45Å; E634-Y638 PolarHBondContact O-N 2.95Å; N635-Y638 PolarHBondContact O-N 3.21Å; Y638-N641 CarbonylContact O-C 3.51Å; Y638-P642 WeakPolarHBondContact O-CA 3.44Å; Y638-P642 WeakPolarHBondContact O-CB 2.99Å
639Y90.2Very high80.4Confident99 Ų9980 Ų8039%0.38840%0.403SS..Hα-helixtrans-67.9-44170.2-180-102.9000111.4D593 R597 N635 T636 Y637D593-Y639 VanDerWaalsContact O-CE1 3.28Å; D593-Y639 WeakPolarHBondContact O-CE1 3.01Å; R597-Y639 HydrophobicContact CB-CE1 4.44Å; N635-Y639 WeakPolarHBondContact O-CB 3.46Å; N635-Y639 PolarHBondContact O-N 3.46Å; T636-Y639 PolarHBondContact O-N 3.15Å; Y637-Y639 VanDerWaalsContact C-N 3.31Å; Y637-Y639 PolarHBondContact O-N 2.88Å
640C91.4Very high78.1Confident2 Ų283.4 Ų83.41%0.01443%0.428CS..Hα-helixtrans-72.9-41.5177.6-62.60000112.4L613 T636 Y637L613-C640 HydrophobicContact CD1-CB 3.68Å; L613-C640 HydrophobicContact CD2-CB 4.36Å; T636-C640 PolarHBondContact O-N 2.94Å; T636-C640 PolarHBondContact O-SG 3.19Å; Y637-C640 PolarHBondContact O-N 3.28Å
641N87.4Confident75.9Confident50 Ų5090.2 Ų90.227%0.26746%0.458SS..SBendtrans-129.478.8-177.2-17634.2000109.9Y600 Y637 Y638Y600-N641 HydrophobicContact CE1-CB 4.1Å; Y600-N641 HydrophobicContact CE2-CB 4.25Å; Y600-N641 PolarHBondContact OH-ND2 2.79Å; Y600-N641 PolarHBondContact OH-OD1 3.32Å; Y637-N641 PolarHBondContact O-N 3.12Å; Y638-N641 CarbonylContact O-C 3.51Å
642P81Confident74.1Confident57 Ų5791.9 Ų91.937%0.3747%0.473SS..  trans-64.1145.2179.726.3-33.9000110.4Y638Y638-P642 WeakPolarHBondContact O-CA 3.44Å; Y638-P642 WeakPolarHBondContact O-CB 2.99Å
643P75.2Confident72.6Confident83 Ų8394.7 Ų94.754%0.53949%0.493SS..  trans-58.4149.4174.425.9-33.1000109.8S645P643-S645 PolarHBondContact O-N 2.69Å
644P66.9Low71.3Confident126 Ų126104 Ų10482%0.81853%0.533SS*.  trans-53.3114.2175.522.5-32.1000108.2N646P644-N646 PolarHBondContact O-N 3.06Å
645S56.5Low70.6Confident86 Ų86103 Ų10360%0.60153%0.529SS*.  trans-62.4131.7179-70.40000108.2P643 R647P643-S645 PolarHBondContact O-N 2.69Å; S645-R647 CarbonylContact O-C 3.6Å; S645-R647 PolarHBondContact O-N 3.41Å
646N51.4Low70.3Confident167 Ų167100.6 Ų100.689%0.89352%0.519SS*.SBendtrans-64.4-0.8168.5-88-0.6000113.1P644 Q648P644-N646 PolarHBondContact O-N 3.06Å; N646-Q648 PolarHBondContact O-N 3.42Å
647R50.6Low69.9Low215 Ų215106 Ų10681%0.81155%0.553SS**SBendtrans-58.594.4151.7-98.5-178.4175166.10105.5S645 I649S645-R647 CarbonylContact O-C 3.6Å; S645-R647 PolarHBondContact O-N 3.41Å; R647-I649 PolarHBondContact O-N 3.39Å
648Q45.8Very low69.5Low170 Ų170109.4 Ų109.479%0.79457%0.571SS**  trans-43.5101.3156-72.8168.5-11.800104.5N646 V650N646-Q648 PolarHBondContact O-N 3.42Å; Q648-V650 HydrophobicContact CB-CG2 4.46Å; Q648-V650 PolarHBondContact O-N 2.96Å
649I50.1Low69.5Low134 Ų134103.7 Ų103.769%0.68755%0.549SS*.  trans-67.285.9164.5-61.7170.6000100.1R647 E651R647-I649 PolarHBondContact O-N 3.39Å; I649-E651 VanDerWaalsContact C-N 3.32Å; I649-E651 PolarHBondContact O-N 3.49Å
650V47Very low69.4Low105 Ų105104.2 Ų104.264%0.63656%0.556SS**  trans-51.7110.8171.3174.80000102.2Q648 P652Q648-V650 HydrophobicContact CB-CG2 4.46Å; Q648-V650 PolarHBondContact O-N 2.96Å; V650-P652 WeakPolarHBondContact O-CD 3.34Å
651E48.5Very low69.5Low156 Ų156109.1 Ų109.173%0.72958%0.577SS**  trans-44.8120.1176.8-81.3-168.9157.400105.2I649 V653I649-E651 VanDerWaalsContact C-N 3.32Å; I649-E651 PolarHBondContact O-N 3.49Å; E651-V653 PolarHBondContact O-N 2.76Å
652P56.1Low69.8Low104 Ų104107.3 Ų107.368%0.67557%0.567SS**  trans-56.1111.7-176.119.7-29.8000105.6V650 K654V650-P652 WeakPolarHBondContact O-CD 3.34Å; P652-K654 PolarHBondContact O-N 2.84Å
653V61.8Low70.3Confident103 Ų103110.4 Ų110.462%0.62457%0.572SS**  trans-46.7115.6-175.3175.40000105.7E651 L655E651-V653 PolarHBondContact O-N 2.76Å; V653-L655 VanDerWaalsContact C-N 3.26Å; V653-L655 PolarHBondContact O-N 3.11Å
654K67.4Low71.1Confident196 Ų196110.3 Ų110.385%0.85256%0.564SS**  trans-62.595.7-174.3-79.7-178.9179.1172.90107.4P652 T656P652-K654 PolarHBondContact O-N 2.84Å; K654-T656 PolarHBondContact O-N 3.46Å
655L79.3Confident72.3Confident41 Ų41104.9 Ų104.922%0.21553%0.528CS..  trans-62.9126.5179.7-66.8169.6000107.2V653 M659 M660 F695V653-L655 VanDerWaalsContact C-N 3.26Å; V653-L655 PolarHBondContact O-N 3.11Å; L655-M659 HydrophobicContact CB-CB 4.15Å; L655-M659 HydrophobicContact CD2-CB 4.09Å; L655-M659 HydrophobicContact CD2-SD 4.13Å; L655-M660 HydrophobicContact CB-CE 4.04Å; L655-M660 HydrophobicContact CB-CG 3.7Å; L655-M660 HydrophobicContact CD1-CG 4.45Å; L655-M660 WeakPolarHBondContact O-CE 3.01Å; L655-F695 HydrophobicContact CD2-CD2 4.01Å; L655-F695 HydrophobicContact CD2-CE2 3.4Å; L655-F695 HydrophobicContact CD2-CZ 3.76Å
656T87.2Confident73.9Confident53 Ų53100.9 Ų100.933%0.32550%0.5SS..  trans-60.1155.2172.869.70000109.4K654 Q658 M659 M660K654-T656 PolarHBondContact O-N 3.46Å; T656-Q658 PolarHBondContact O-N 2.68Å; T656-Q658 VanDerWaalsContact O-N 3.07Å; T656-M659 HydrophobicContact CG2-CE 4.4Å; T656-M659 HydrophobicContact CG2-SD 4.11Å; T656-M659 WeakPolarHBondContact O-CB 3.48Å; T656-M659 PolarHBondContact O-N 3.03Å; T656-M659 VanDerWaalsContact OG1-CG 3.29Å; T656-M659 WeakPolarHBondContact OG1-CG 3.26Å; T656-M659 PolarHBondContact OG1-N 3.35Å; T656-M660 PolarHBondContact O-N 2.96Å
657P87.2Confident75.7Confident113 Ų11394.4 Ų94.473%0.73447%0.465SS*.Hα-helixtrans-53.4-32.3176.3-28.235.6000113F661P657-F661 WeakPolarHBondContact O-CB 3.28Å; P657-F661 PolarHBondContact O-N 3.5Å
658Q86.8Confident77.5Confident113 Ų11388 Ų8853%0.52845%0.45SS..Hα-helixtrans-67.9-46.9174.8-67.9-179-12.900112.1T656 M660 F661 I662 L692T656-Q658 PolarHBondContact O-N 2.68Å; T656-Q658 VanDerWaalsContact O-N 3.07Å; Q658-M660 VanDerWaalsContact C-N 3.34Å; Q658-M660 PolarHBondContact O-N 3.28Å; Q658-F661 WeakPolarHBondContact O-CB 3.34Å; Q658-F661 PolarHBondContact O-N 3.09Å; Q658-I662 WeakPolarHBondContact O-CG1 3.05Å; Q658-I662 PolarHBondContact O-N 2.75Å; Q658-L692 HydrophobicContact CB-CD1 4.36Å
659M92Very high79.6Confident5 Ų585.4 Ų85.43%0.02544%0.436CS..Hα-helixtrans-59.3-43.8174.5-70.4170.5178.100111.7L655 T656 F661 I662 R663 E691 L692 F695L655-M659 HydrophobicContact CB-CB 4.15Å; L655-M659 HydrophobicContact CD2-CB 4.09Å; L655-M659 HydrophobicContact CD2-SD 4.13Å; T656-M659 HydrophobicContact CG2-CE 4.4Å; T656-M659 HydrophobicContact CG2-SD 4.11Å; T656-M659 WeakPolarHBondContact O-CB 3.48Å; T656-M659 PolarHBondContact O-N 3.03Å; T656-M659 VanDerWaalsContact OG1-CG 3.29Å; T656-M659 WeakPolarHBondContact OG1-CG 3.26Å; T656-M659 PolarHBondContact OG1-N 3.35Å; M659-F661 VanDerWaalsContact C-N 3.32Å; M659-F661 PolarHBondContact O-N 3.18Å; M659-I662 PolarHBondContact O-N 3.26Å; M659-R663 WeakPolarHBondContact O-CB 3.34Å; M659-R663 PolarHBondContact O-N 3.37Å; M659-E691 HydrophobicContact CE-CB 4.36Å; M659-E691 HydrophobicContact CE-CG 3.73Å; M659-L692 HydrophobicContact CB-CD1 4.48Å; M659-L692 HydrophobicContact CE-CD1 4.5Å; M659-L692 HydrophobicContact CG-CD1 3.54Å; M659-F695 HydrophobicContact CB-CD1 3.75Å; M659-F695 HydrophobicContact CB-CE1 3.57Å; M659-F695 HydrophobicContact CB-CG 4.38Å; M659-F695 HydrophobicContact CB-CZ 4.07Å; M659-F695 HydrophobicContact CE-CB 4.34Å; M659-F695 HydrophobicContact CG-CB 4.45Å; M659-F695 HydrophobicContact CG-CD1 3.65Å; M659-F695 HydrophobicContact CG-CE1 4.04Å; M659-F695 HydrophobicContact CG-CG 4.01Å; M659-F695 VanDerWaalsContact O-CE1 3.27Å; M659-F695 WeakPolarHBondContact O-CE1 3.45Å; M659-F695 HydrophobicContact SD-CG 4.35Å
660M88.6Confident81.6Confident109 Ų10979.2 Ų79.254%0.53740%0.404SS..Hα-helixtrans-60.2-42.2175.7-68.9-170.8-178.900112L655 T656 Q658 R663 H664L655-M660 HydrophobicContact CB-CE 4.04Å; L655-M660 HydrophobicContact CB-CG 3.7Å; L655-M660 HydrophobicContact CD1-CG 4.45Å; L655-M660 WeakPolarHBondContact O-CE 3.01Å; T656-M660 PolarHBondContact O-N 2.96Å; Q658-M660 VanDerWaalsContact C-N 3.34Å; Q658-M660 PolarHBondContact O-N 3.28Å; M660-R663 PolarHBondContact O-N 2.88Å; M660-H664 WeakPolarHBondContact O-CB 3.39Å; M660-H664 PolarHBondContact O-N 2.89Å
661F93.7Very high83.7Confident106 Ų10676.5 Ų76.547%0.46539%0.386SS..Hα-helixtrans-63-46.2177.3-178.9-103.8000112P657 Q658 M659 R663 H664 I665 L681P657-F661 WeakPolarHBondContact O-CB 3.28Å; P657-F661 PolarHBondContact O-N 3.5Å; Q658-F661 WeakPolarHBondContact O-CB 3.34Å; Q658-F661 PolarHBondContact O-N 3.09Å; M659-F661 VanDerWaalsContact C-N 3.32Å; M659-F661 PolarHBondContact O-N 3.18Å; F661-R663 VanDerWaalsContact C-N 3.35Å; F661-R663 PolarHBondContact O-N 2.91Å; F661-H664 PolarHBondContact O-N 3.18Å; F661-I665 HydrophobicContact CD1-CG2 4.48Å; F661-I665 HydrophobicContact CD2-CG2 4.48Å; F661-I665 HydrophobicContact CE1-CD1 4.26Å; F661-I665 HydrophobicContact CE1-CG2 4.05Å; F661-I665 HydrophobicContact CE2-CG2 4.05Å; F661-I665 HydrophobicContact CZ-CG2 3.82Å; F661-I665 PolarHBondContact O-N 3.09Å; F661-L681 HydrophobicContact CE1-CD1 4.37Å; F661-L681 HydrophobicContact CZ-CD1 4.13Å
662I92Very high85.8Confident11 Ų1178.3 Ų78.36%0.05639%0.386CS..Hα-helixtrans-61.2-44.8177.7-65.6164.1000110.8Q658 M659 H664 I665 L666 M685 L692 T696 L699Q658-I662 WeakPolarHBondContact O-CG1 3.05Å; Q658-I662 PolarHBondContact O-N 2.75Å; M659-I662 PolarHBondContact O-N 3.26Å; I662-H664 VanDerWaalsContact C-N 3.32Å; I662-H664 PolarHBondContact O-N 2.7Å; I662-I665 WeakPolarHBondContact O-CG1 3.47Å; I662-I665 PolarHBondContact O-N 3.45Å; I662-L666 HydrophobicContact CG2-CD1 3.94Å; I662-L666 WeakPolarHBondContact O-CB 3.41Å; I662-L666 PolarHBondContact O-N 2.57Å; I662-L666 VanDerWaalsContact O-N 3.1Å; I662-M685 HydrophobicContact CD1-CG 4.13Å; I662-M685 HydrophobicContact CD1-SD 3.39Å; I662-M685 WeakPolarHBondContact CD1-SD 3.49Å; I662-M685 HydrophobicContact CG1-SD 4.5Å; I662-L692 HydrophobicContact CD1-CD1 3.6Å; I662-L692 HydrophobicContact CD1-CD2 4.42Å; I662-L692 HydrophobicContact CD1-CG 4.05Å; I662-T696 HydrophobicContact CG2-CG2 4.11Å; I662-L699 HydrophobicContact CG2-CD1 3.89Å
663R91.7Very high87.6Confident123 Ų12378.8 Ų78.846%0.46439%0.387SS..Hα-helixtrans-57.9-45174.8-175.3-179.5175.6147.6-0111.6M659 M660 F661 L666 L667 F695 L699M659-R663 WeakPolarHBondContact O-CB 3.34Å; M659-R663 PolarHBondContact O-N 3.37Å; M660-R663 PolarHBondContact O-N 2.88Å; F661-R663 VanDerWaalsContact C-N 3.35Å; F661-R663 PolarHBondContact O-N 2.91Å; R663-L666 PolarHBondContact O-N 3.42Å; R663-L667 HydrophobicContact CG-CD1 3.68Å; R663-L667 HydrophobicContact CG-CG 4.23Å; R663-L667 WeakPolarHBondContact O-CB 3.36Å; R663-L667 PolarHBondContact O-N 3.31Å; R663-F695 HydrophobicContact CB-CE1 4.49Å; R663-F695 HydrophobicContact CB-CZ 4.22Å; R663-L699 HydrophobicContact CB-CD1 4.11Å; R663-L699 HydrophobicContact CG-CD2 4.29Å
664H91.8Very high89.1Confident81 Ų8175.5 Ų75.538%0.37537%0.368SS..Iπ-helixtrans-64.7-44.2-179.6-17569.9000112.6M660 F661 I662 L666 T668 K669M660-H664 WeakPolarHBondContact O-CB 3.39Å; M660-H664 PolarHBondContact O-N 2.89Å; F661-H664 PolarHBondContact O-N 3.18Å; I662-H664 VanDerWaalsContact C-N 3.32Å; I662-H664 PolarHBondContact O-N 2.7Å; H664-L666 VanDerWaalsContact C-N 3.33Å; H664-L666 PolarHBondContact O-N 3.27Å; H664-T668 PolarHBondContact ND1-OG1 3.16Å; H664-T668 WeakPolarHBondContact O-CA 3.16Å; H664-T668 VanDerWaalsContact O-CB 3.26Å; H664-T668 WeakPolarHBondContact O-CB 3.36Å; H664-T668 PolarHBondContact O-N 2.77Å; H664-K669 VanDerWaalsContact NE2-CE 3.27Å; H664-K669 WeakPolarHBondContact NE2-CE 3.39Å; H664-K669 PolarHBondContact O-N 2.73Å; H664-K669 VanDerWaalsContact O-N 3.09Å
665I93.3Very high90.3Very high11 Ų1166.8 Ų66.86%0.05633%0.331CS..Iπ-helixtrans-67.6-33.6-179.764.1177000112.3F661 I662 L670 T678 L681 I682F661-I665 HydrophobicContact CD1-CG2 4.48Å; F661-I665 HydrophobicContact CD2-CG2 4.48Å; F661-I665 HydrophobicContact CE1-CD1 4.26Å; F661-I665 HydrophobicContact CE1-CG2 4.05Å; F661-I665 HydrophobicContact CE2-CG2 4.05Å; F661-I665 HydrophobicContact CZ-CG2 3.82Å; F661-I665 PolarHBondContact O-N 3.09Å; I662-I665 WeakPolarHBondContact O-CG1 3.47Å; I662-I665 PolarHBondContact O-N 3.45Å; I665-L670 PolarHBondContact O-N 3.19Å; I665-L670 VanDerWaalsContact O-N 3.16Å; I665-T678 HydrophobicContact CB-CG2 4.44Å; I665-T678 HydrophobicContact CD1-CG2 4.23Å; I665-T678 HydrophobicContact CG1-CG2 4.28Å; I665-L681 HydrophobicContact CD1-CB 4.27Å; I665-I682 HydrophobicContact CD1-CD1 4.39Å; I665-I682 HydrophobicContact CD1-CG1 3.88Å
666L90.1Very high91Very high2 Ų269.8 Ų69.81%0.0135%0.347CS..Iπ-helixtrans-82.5-48.5180-74.4176.2000113.2I662 R663 H664 L670 T678 I682 L699 F700 L714I662-L666 HydrophobicContact CG2-CD1 3.94Å; I662-L666 WeakPolarHBondContact O-CB 3.41Å; I662-L666 PolarHBondContact O-N 2.57Å; I662-L666 VanDerWaalsContact O-N 3.1Å; R663-L666 PolarHBondContact O-N 3.42Å; H664-L666 VanDerWaalsContact C-N 3.33Å; H664-L666 PolarHBondContact O-N 3.27Å; L666-L670 WeakPolarHBondContact O-CB 3.27Å; L666-T678 HydrophobicContact CD2-CG2 4.03Å; L666-I682 HydrophobicContact CD1-CD1 4.27Å; L666-I682 HydrophobicContact CD2-CD1 3.7Å; L666-I682 HydrophobicContact CG-CD1 4.08Å; L666-L699 HydrophobicContact CD1-CB 3.96Å; L666-L699 HydrophobicContact CD1-CD1 4.13Å; L666-F700 HydrophobicContact CD1-CD2 4.11Å; L666-F700 HydrophobicContact CD1-CE2 3.8Å; L666-F700 HydrophobicContact CD1-CZ 4.36Å; L666-F700 HydrophobicContact CD2-CE2 4.25Å; L666-F700 HydrophobicContact CD2-CZ 3.97Å; L666-L714 HydrophobicContact CD2-CD1 4.07Å
667L88.7Confident91.3Very high32 Ų3271 Ų7117%0.16835%0.354CS..Iπ-helixtrans-87.8-30.2-172.8-58.8-174000113.1R663 L699 D705 V706R663-L667 HydrophobicContact CG-CD1 3.68Å; R663-L667 HydrophobicContact CG-CG 4.23Å; R663-L667 WeakPolarHBondContact O-CB 3.36Å; R663-L667 PolarHBondContact O-N 3.31Å; L667-L699 HydrophobicContact CD1-CD2 4.28Å; L667-D705 HydrophobicContact CD1-CB 4.27Å; L667-D705 HydrophobicContact CD2-CB 3.84Å; L667-V706 HydrophobicContact CD2-CG2 3.79Å
668T88.2Confident91.6Very high81 Ų8165.8 Ų65.850%0.49732%0.321SS..Iπ-helixtrans-104-48.4-174.9-45.30000112.8H664H664-T668 PolarHBondContact ND1-OG1 3.16Å; H664-T668 WeakPolarHBondContact O-CA 3.16Å; H664-T668 VanDerWaalsContact O-CB 3.26Å; H664-T668 WeakPolarHBondContact O-CB 3.36Å; H664-T668 PolarHBondContact O-N 2.77Å
669K90.2Very high92Very high115 Ų11561.9 Ų61.950%0.530%0.303SS..SBendtrans-95.3-9.4-170-64-70.4-177.7179.10115.1H664 D671 T674H664-K669 VanDerWaalsContact NE2-CE 3.27Å; H664-K669 WeakPolarHBondContact NE2-CE 3.39Å; H664-K669 PolarHBondContact O-N 2.73Å; H664-K669 VanDerWaalsContact O-N 3.09Å; K669-D671 PolarHBondContact O-N 3.33Å; K669-T674 WeakPolarHBondContact O-CG2 3.49Å; K669-T674 PolarHBondContact O-OG1 2.85Å
670L91.9Very high92.1Very high4 Ų469.7 Ų69.72%0.02133%0.333CS..  trans-68.9118.9-176.4-173.864.5000111.6I665 L666 T674 T678 N710 C713 L714 V717I665-L670 PolarHBondContact O-N 3.19Å; I665-L670 VanDerWaalsContact O-N 3.16Å; L666-L670 WeakPolarHBondContact O-CB 3.27Å; L670-T674 WeakPolarHBondContact CA-OG1 3.44Å; L670-T678 HydrophobicContact CD1-CG2 4.23Å; L670-N710 PolarHBondContact O-ND2 3.05Å; L670-C713 HydrophobicContact CD1-CB 4.09Å; L670-C713 HydrophobicContact CD2-CB 4.24Å; L670-C713 HydrophobicContact CG-CB 3.94Å; L670-L714 HydrophobicContact CD2-CB 4.08Å; L670-L714 HydrophobicContact CD2-CD1 4.12Å; L670-V717 HydrophobicContact CD1-CG2 4.14Å
671D92.2Very high92.4Very high48 Ų4867.6 Ų67.626%0.25732%0.323SS..SBendtrans-151.9179.1172.168.539.2000110.2K669 T673 T674 V675K669-D671 PolarHBondContact O-N 3.33Å; D671-T673 PolarHBondContact O-N 2.89Å; D671-T673 WeakPolarHBondContact OD1-CA 3.33Å; D671-T673 WeakPolarHBondContact OD1-CB 3.47Å; D671-T673 PolarHBondContact OD1-N 3.24Å; D671-T673 PolarHBondContact OD1-OG1 2.99Å; D671-T674 PolarHBondContact N-OG1 2.89Å; D671-T674 PolarHBondContact O-N 3.16Å; D671-T674 PolarHBondContact O-OG1 3.34Å; D671-T674 PolarHBondContact OD1-N 2.88Å; D671-T674 PolarHBondContact OD1-OG1 2.87Å; D671-V675 WeakPolarHBondContact O-CG2 3.49Å; D671-V675 PolarHBondContact O-N 3.1Å; D671-V675 VanDerWaalsContact O-N 3.09Å
672R91.9Very high92.4Very high193 Ų19362.6 Ų62.673%0.72830%0.301SS*.THydrogen-bonded Turntrans-58.9-28.1-177.5-64-176.4-174.7177.2-0.4114.1
673T93.4Very high92.5Very high114 Ų11467.1 Ų67.170%0.69932%0.318SS*.THydrogen-bonded Turntrans-85.4-32.3-179.969.70000111.9D671D671-T673 PolarHBondContact O-N 2.89Å; D671-T673 WeakPolarHBondContact OD1-CA 3.33Å; D671-T673 WeakPolarHBondContact OD1-CB 3.47Å; D671-T673 PolarHBondContact OD1-N 3.24Å; D671-T673 PolarHBondContact OD1-OG1 2.99Å
674T92.7Very high92.6Very high35 Ų3569.6 Ų69.622%0.21533%0.332CS..THydrogen-bonded Turntrans-88.2-16-177.160.90000114K669 L670 D671 N676 T677 T678K669-T674 WeakPolarHBondContact O-CG2 3.49Å; K669-T674 PolarHBondContact O-OG1 2.85Å; L670-T674 WeakPolarHBondContact CA-OG1 3.44Å; D671-T674 PolarHBondContact N-OG1 2.89Å; D671-T674 PolarHBondContact O-N 3.16Å; D671-T674 PolarHBondContact O-OG1 3.34Å; D671-T674 PolarHBondContact OD1-N 2.88Å; D671-T674 PolarHBondContact OD1-OG1 2.87Å; T674-N676 VanDerWaalsContact C-N 3.32Å; T674-N676 PolarHBondContact O-N 3.42Å; T674-N676 VanDerWaalsContact O-N 3.14Å; T674-T677 CarbonylContact O-C 3.36Å; T674-T677 WeakPolarHBondContact O-CA 3.39Å; T674-T677 WeakPolarHBondContact O-CB 3.3Å; T674-T677 PolarHBondContact O-N 3.27Å; T674-T678 PolarHBondContact O-N 3.31Å; T674-T678 PolarHBondContact O-OG1 3.07Å
675V93.4Very high92.6Very high13 Ų1366.9 Ų66.98%0.07932%0.32CS..Hα-helixtrans-42.9-52.7-178.1-176.90000113.5D671 T677 T678 L679 C713 V717D671-V675 WeakPolarHBondContact O-CG2 3.49Å; D671-V675 PolarHBondContact O-N 3.1Å; D671-V675 VanDerWaalsContact O-N 3.09Å; V675-T677 VanDerWaalsContact C-N 3.33Å; V675-T677 PolarHBondContact O-N 3.23Å; V675-T678 PolarHBondContact O-N 3.37Å; V675-L679 WeakPolarHBondContact O-CB 3.46Å; V675-L679 PolarHBondContact O-N 3.47Å; V675-C713 HydrophobicContact CG2-CB 3.68Å; V675-V717 HydrophobicContact CG1-CG2 3.8Å
676N93.6Very high92.5Very high103 Ų10370.5 Ų70.555%0.55134%0.339SS*.Hα-helixtrans-65.2-37.9-177.7-74.8-64.3000112.3T674 R680T674-N676 VanDerWaalsContact C-N 3.32Å; T674-N676 PolarHBondContact O-N 3.42Å; T674-N676 VanDerWaalsContact O-N 3.14Å; N676-R680 WeakPolarHBondContact O-CB 3.47Å; N676-R680 WeakPolarHBondContact O-CG 3.49Å; N676-R680 PolarHBondContact O-N 2.65Å; N676-R680 VanDerWaalsContact O-N 3.09Å
677T94.3Very high92.7Very high78 Ų7872.6 Ų72.648%0.47935%0.347SS..Hα-helixtrans-70.2-45.9177.7-53.40000110.3T674 V675 L679 R680 L681T674-T677 CarbonylContact O-C 3.36Å; T674-T677 WeakPolarHBondContact O-CA 3.39Å; T674-T677 WeakPolarHBondContact O-CB 3.3Å; T674-T677 PolarHBondContact O-N 3.27Å; V675-T677 VanDerWaalsContact C-N 3.33Å; V675-T677 PolarHBondContact O-N 3.23Å; T677-L679 PolarHBondContact O-N 3.02Å; T677-R680 PolarHBondContact O-N 2.95Å; T677-L681 HydrophobicContact CG2-CD1 4.15Å; T677-L681 WeakPolarHBondContact O-CG 3.45Å; T677-L681 PolarHBondContact O-N 3.11Å
678T94.4Very high92.9Very high4 Ų478.1 Ų78.13%0.02538%0.377CS..Hα-helixtrans-59.1-46.8176.5-57.10000111.3I665 L666 L670 T674 V675 R680 L681 I682I665-T678 HydrophobicContact CB-CG2 4.44Å; I665-T678 HydrophobicContact CD1-CG2 4.23Å; I665-T678 HydrophobicContact CG1-CG2 4.28Å; L666-T678 HydrophobicContact CD2-CG2 4.03Å; L670-T678 HydrophobicContact CD1-CG2 4.23Å; T674-T678 PolarHBondContact O-N 3.31Å; T674-T678 PolarHBondContact O-OG1 3.07Å; V675-T678 PolarHBondContact O-N 3.37Å; T678-R680 PolarHBondContact O-N 2.86Å; T678-L681 PolarHBondContact O-N 3.36Å; T678-I682 HydrophobicContact CG2-CD1 3.81Å; T678-I682 HydrophobicContact CG2-CG1 4.46Å; T678-I682 WeakPolarHBondContact O-CG1 3.49Å; T678-I682 PolarHBondContact O-N 2.92Å
679L94.6Very high93.1Very high31 Ų3176.9 Ų76.916%0.16237%0.367CS..Hα-helixtrans-58.2-46.1174.8175.160.6000112V675 T677 L681 I682 R683 V717 L721V675-L679 WeakPolarHBondContact O-CB 3.46Å; V675-L679 PolarHBondContact O-N 3.47Å; T677-L679 PolarHBondContact O-N 3.02Å; L679-L681 VanDerWaalsContact C-N 3.3Å; L679-L681 PolarHBondContact O-N 3.21Å; L679-I682 PolarHBondContact O-N 3.45Å; L679-R683 HydrophobicContact CD1-CG 4.32Å; L679-R683 WeakPolarHBondContact O-CB 3.31Å; L679-R683 WeakPolarHBondContact O-CG 3.48Å; L679-R683 PolarHBondContact O-N 3.05Å; L679-V717 HydrophobicContact CB-CG1 4.26Å; L679-V717 HydrophobicContact CD1-CG1 4.14Å; L679-L721 HydrophobicContact CD1-CD2 3.7Å; L679-L721 HydrophobicContact CD1-CG 3.77Å
680R94.1Very high93.2Very high170 Ų17077 Ų7764%0.64237%0.369SS*.Hα-helixtrans-63.4-35.2177.4-73.8172.4-171.71783.4112.6N676 T677 T678 K684N676-R680 WeakPolarHBondContact O-CB 3.47Å; N676-R680 WeakPolarHBondContact O-CG 3.49Å; N676-R680 PolarHBondContact O-N 2.65Å; N676-R680 VanDerWaalsContact O-N 3.09Å; T677-R680 PolarHBondContact O-N 2.95Å; T678-R680 PolarHBondContact O-N 2.86Å; R680-K684 WeakPolarHBondContact O-CG 3.42Å
681L94.7Very high93.1Very high65 Ų6582.5 Ų82.534%0.3440%0.395SS..Hα-helixtrans-71.8-45.6178.2-72.5171.3000111.6F661 I665 T677 T678 L679 R683 K684F661-L681 HydrophobicContact CE1-CD1 4.37Å; F661-L681 HydrophobicContact CZ-CD1 4.13Å; I665-L681 HydrophobicContact CD1-CB 4.27Å; T677-L681 HydrophobicContact CG2-CD1 4.15Å; T677-L681 WeakPolarHBondContact O-CG 3.45Å; T677-L681 PolarHBondContact O-N 3.11Å; T678-L681 PolarHBondContact O-N 3.36Å; L679-L681 VanDerWaalsContact C-N 3.3Å; L679-L681 PolarHBondContact O-N 3.21Å; L681-R683 VanDerWaalsContact C-N 3.29Å; L681-R683 PolarHBondContact O-N 2.85Å; L681-K684 WeakPolarHBondContact O-CB 3.29Å; L681-K684 PolarHBondContact O-N 3.35Å
682I93.7Very high93.2Very high1 Ų180.2 Ų80.21%0.00538%0.382CS..Hα-helixtrans-65.4-35.3179.1-64.2171.3000110.9I665 L666 T678 L679 K684 M685 W687 F700 V717 L721I665-I682 HydrophobicContact CD1-CD1 4.39Å; I665-I682 HydrophobicContact CD1-CG1 3.88Å; L666-I682 HydrophobicContact CD1-CD1 4.27Å; L666-I682 HydrophobicContact CD2-CD1 3.7Å; L666-I682 HydrophobicContact CG-CD1 4.08Å; T678-I682 HydrophobicContact CG2-CD1 3.81Å; T678-I682 HydrophobicContact CG2-CG1 4.46Å; T678-I682 WeakPolarHBondContact O-CG1 3.49Å; T678-I682 PolarHBondContact O-N 2.92Å; L679-I682 PolarHBondContact O-N 3.45Å; I682-K684 PolarHBondContact O-N 3.44Å; I682-M685 WeakPolarHBondContact O-CB 3.35Å; I682-M685 PolarHBondContact O-N 3.42Å; I682-M685 VanDerWaalsContact O-N 3.09Å; I682-W687 HydrophobicContact CG2-CZ2 4.11Å; I682-W687 PolarHBondContact O-NE1 3.35Å; I682-F700 HydrophobicContact CD1-CE2 4.01Å; I682-F700 HydrophobicContact CD1-CZ 3.88Å; I682-V717 HydrophobicContact CD1-CG1 4.16Å; I682-L721 HydrophobicContact CG2-CD1 3.87Å; I682-L721 HydrophobicContact CG2-CD2 4.06Å
683R93.7Very high93.3Very high106 Ų10672 Ų7240%0.435%0.354SS..THydrogen-bonded Turntrans-62-20.8172.1-77.3-176.662.3-176.3-0.2114.6L679 L681 L721 Y724L679-R683 HydrophobicContact CD1-CG 4.32Å; L679-R683 WeakPolarHBondContact O-CB 3.31Å; L679-R683 WeakPolarHBondContact O-CG 3.48Å; L679-R683 PolarHBondContact O-N 3.05Å; L681-R683 VanDerWaalsContact C-N 3.29Å; L681-R683 PolarHBondContact O-N 2.85Å; R683-L721 HydrophobicContact CG-CD2 3.78Å; R683-Y724 VanDerWaalsContact NH1-CE2 3.31Å; R683-Y724 VanDerWaalsContact NH1-CZ 3.3Å; R683-Y724 PolarHBondContact NH1-OH 3.06Å; R683-Y724 VanDerWaalsContact NH1-OH 3.07Å; R683-Y724 PolarHBondContact NH2-OH 3.49Å
684K93.5Very high93.4Very high175 Ų17571.6 Ų71.676%0.76134%0.344SS*.THydrogen-bonded Turntrans-90.1-4.8177.3-69.9177.9176.1-166.90113.4R680 L681 I682R680-K684 WeakPolarHBondContact O-CG 3.42Å; L681-K684 WeakPolarHBondContact O-CB 3.29Å; L681-K684 PolarHBondContact O-N 3.35Å; I682-K684 PolarHBondContact O-N 3.44Å
685M91.7Very high93.4Very high24 Ų2471.8 Ų71.812%0.11834%0.342CS..SBendtrans-60.5152.2173.2-170.51797900110.3I662 I682 W687 L692 V693 T696I662-M685 HydrophobicContact CD1-CG 4.13Å; I662-M685 HydrophobicContact CD1-SD 3.39Å; I662-M685 WeakPolarHBondContact CD1-SD 3.49Å; I662-M685 HydrophobicContact CG1-SD 4.5Å; I682-M685 WeakPolarHBondContact O-CB 3.35Å; I682-M685 PolarHBondContact O-N 3.42Å; I682-M685 VanDerWaalsContact O-N 3.09Å; M685-W687 HydrophobicContact CE-CD2 4.13Å; M685-W687 HydrophobicContact CE-CE3 4.29Å; M685-W687 HydrophobicContact CE-CH2 4.47Å; M685-W687 HydrophobicContact CE-CZ2 4.29Å; M685-W687 HydrophobicContact CE-CZ3 4.46Å; M685-W687 PolarHBondContact O-N 3.44Å; M685-W687 VanDerWaalsContact O-N 3.14Å; M685-L692 HydrophobicContact CG-CD2 3.35Å; M685-L692 HydrophobicContact CG-CG 3.93Å; M685-L692 HydrophobicContact SD-CD2 3.85Å; M685-L692 HydrophobicContact SD-CG 3.69Å; M685-V693 HydrophobicContact CE-CG2 3.9Å; M685-T696 HydrophobicContact SD-CG2 4.48Å; M685-T696 PolarHBondContact SD-OG1 2.96Å
686D92.1Very high93.5Very high86 Ų8671.2 Ų71.246%0.4634%0.338SS..  trans-74.2102.3171.4-169.1-2.1000109.7N688 D689D686-N688 PolarHBondContact O-N 3.07Å; D686-N688 WeakPolarHBondContact OD1-CB 3.44Å; D686-N688 PolarHBondContact OD1-N 2.73Å; D686-N688 PolarHBondContact OD1-ND2 3.29Å; D686-D689 HydrophobicContact CB-CB 4.41Å; D686-D689 PolarHBondContact O-N 3.47Å
687W93.6Very high93.7Very high46 Ų4667 Ų6717%0.17432%0.317CS..THydrogen-bonded Turntrans-75.8-3.7178.9-70.886.2000113.4I682 M685 V693 L721 H725 F728I682-W687 HydrophobicContact CG2-CZ2 4.11Å; I682-W687 PolarHBondContact O-NE1 3.35Å; M685-W687 HydrophobicContact CE-CD2 4.13Å; M685-W687 HydrophobicContact CE-CE3 4.29Å; M685-W687 HydrophobicContact CE-CH2 4.47Å; M685-W687 HydrophobicContact CE-CZ2 4.29Å; M685-W687 HydrophobicContact CE-CZ3 4.46Å; M685-W687 PolarHBondContact O-N 3.44Å; M685-W687 VanDerWaalsContact O-N 3.14Å; W687-V693 HydrophobicContact CE3-CG2 4.02Å; W687-L721 HydrophobicContact CH2-CD1 4.46Å; W687-L721 HydrophobicContact CH2-CD2 4.37Å; W687-L721 HydrophobicContact CZ2-CD2 3.93Å; W687-H725 AromaticContact CD1-CE1 3.83Å; W687-H725 AromaticContact CD1-NE2 3.58Å; W687-H725 AromaticContact CD2-CD2 3.62Å; W687-H725 AromaticContact CD2-CE1 3.42Å; W687-H725 VanDerWaalsContact CD2-CE1 3.42Å; W687-H725 AromaticContact CD2-CG 3.86Å; W687-H725 AromaticContact CD2-ND1 3.74Å; W687-H725 AromaticContact CD2-NE2 3.37Å; W687-H725 AromaticContact CE2-CD2 3.42Å; W687-H725 VanDerWaalsContact CE2-CD2 3.42Å; W687-H725 AromaticContact CE2-CE1 3.89Å; W687-H725 AromaticContact CE2-NE2 3.31Å; W687-H725 VanDerWaalsContact CE2-NE2 3.31Å; W687-H725 HydrophobicContact CE3-CB 4.28Å; W687-H725 AromaticContact CE3-CD2 3.84Å; W687-H725 AromaticContact CE3-CE1 3.85Å; W687-H725 AromaticContact CE3-CG 3.65Å; W687-H725 AromaticContact CE3-ND1 3.66Å; W687-H725 AromaticContact CG-CE1 3.41Å; W687-H725 VanDerWaalsContact CG-CE1 3.41Å; W687-H725 AromaticContact CG-NE2 3.57Å; W687-H725 HydrophobicContact CH2-CB 4.21Å; W687-H725 AromaticContact CH2-CD2 3.72Å; W687-H725 AromaticContact CH2-CG 3.97Å; W687-H725 AromaticContact CZ2-CD2 3.49Å; W687-H725 VanDerWaalsContact CZ2-CD2 3.49Å; W687-H725 WeakPolarHBondContact CZ2-CD2 3.38Å; W687-H725 AromaticContact CZ2-NE2 3.89Å; W687-H725 HydrophobicContact CZ3-CB 3.91Å; W687-H725 AromaticContact CZ3-CD2 3.88Å; W687-H725 AromaticContact CZ3-CG 3.71Å; W687-H725 AromaticContact NE1-NE2 3.46Å; W687-H725 PolarHBondContact NE1-NE2 3.45Å; W687-F728 HydrophobicContact CH2-CD1 4.18Å; W687-F728 HydrophobicContact CH2-CD2 4.32Å; W687-F728 HydrophobicContact CH2-CE1 4.45Å; W687-F728 HydrophobicContact CH2-CG 4.12Å; W687-F728 HydrophobicContact CZ3-CB 4.01Å; W687-F728 HydrophobicContact CZ3-CD1 4.29Å; W687-F728 AromaticContact CZ3-CD2 3.79Å; W687-F728 HydrophobicContact CZ3-CD2 3.79Å; W687-F728 HydrophobicContact CZ3-CE2 4.32Å; W687-F728 AromaticContact CZ3-CG 3.76Å; W687-F728 HydrophobicContact CZ3-CG 3.76Å
688N92.3Very high93.7Very high149 Ų14966.8 Ų66.880%0.79732%0.316SS*.THydrogen-bonded Turntrans-86.9-14.9171.9-50.4-66.6000112.1D686 Q690D686-N688 PolarHBondContact O-N 3.07Å; D686-N688 WeakPolarHBondContact OD1-CB 3.44Å; D686-N688 PolarHBondContact OD1-N 2.73Å; D686-N688 PolarHBondContact OD1-ND2 3.29Å; N688-Q690 PolarHBondContact O-N 3.48Å
689D92.3Very high93.7Very high54 Ų5467 Ų6729%0.28932%0.317SS..  trans-80.797.8174.7-176.7-13.1000109.8D686 E691 L692 V693D686-D689 HydrophobicContact CB-CB 4.41Å; D686-D689 PolarHBondContact O-N 3.47Å; D689-E691 VanDerWaalsContact C-N 3.29Å; D689-E691 PolarHBondContact O-N 2.9Å; D689-E691 PolarHBondContact OD1-N 2.95Å; D689-E691 VanDerWaalsContact OD1-N 3.13Å; D689-L692 HydrophobicContact CB-CB 3.88Å; D689-L692 VanDerWaalsContact CG-CB 3.46Å; D689-L692 PolarHBondContact O-N 3.37Å; D689-L692 PolarHBondContact OD1-N 2.98Å; D689-L692 WeakPolarHBondContact OD2-CB 3.43Å; D689-V693 VanDerWaalsContact O-CG2 3.29Å; D689-V693 WeakPolarHBondContact O-CG2 3.45Å; D689-V693 PolarHBondContact O-N 3.29Å
690Q92.6Very high93.9Very high118 Ų11865.6 Ų65.655%0.55131%0.309SS*.Hα-helixtrans-60.3-37.5-177.4-174.561.824.100112.6N688 V693 E694N688-Q690 PolarHBondContact O-N 3.48Å; Q690-V693 PolarHBondContact O-N 3.18Å; Q690-E694 WeakPolarHBondContact CG-OE1 3.36Å; Q690-E694 PolarHBondContact NE2-OE1 2.78Å; Q690-E694 WeakPolarHBondContact O-CB 3.17Å; Q690-E694 WeakPolarHBondContact O-CG 3.35Å; Q690-E694 PolarHBondContact O-N 2.98Å
691E91.6Very high94Very high119 Ų11958.2 Ų58.256%0.55628%0.283SS*.Hα-helixtrans-66.7-42.5-179.3-166.6-173.417200110.5M659 D689 E694 F695M659-E691 HydrophobicContact CE-CB 4.36Å; M659-E691 HydrophobicContact CE-CG 3.73Å; D689-E691 VanDerWaalsContact C-N 3.29Å; D689-E691 PolarHBondContact O-N 2.9Å; D689-E691 PolarHBondContact OD1-N 2.95Å; D689-E691 VanDerWaalsContact OD1-N 3.13Å; E691-E694 PolarHBondContact O-N 2.87Å; E691-F695 WeakPolarHBondContact O-CB 3.17Å; E691-F695 PolarHBondContact O-N 3.46Å
692L93.1Very high93.9Very high0 Ų059.8 Ų59.80%029%0.285CS..Hα-helixtrans-67.2-38.8176.8-169.762.5000112.4Q658 M659 I662 M685 D689 T696Q658-L692 HydrophobicContact CB-CD1 4.36Å; M659-L692 HydrophobicContact CB-CD1 4.48Å; M659-L692 HydrophobicContact CE-CD1 4.5Å; M659-L692 HydrophobicContact CG-CD1 3.54Å; I662-L692 HydrophobicContact CD1-CD1 3.6Å; I662-L692 HydrophobicContact CD1-CD2 4.42Å; I662-L692 HydrophobicContact CD1-CG 4.05Å; M685-L692 HydrophobicContact CG-CD2 3.35Å; M685-L692 HydrophobicContact CG-CG 3.93Å; M685-L692 HydrophobicContact SD-CD2 3.85Å; M685-L692 HydrophobicContact SD-CG 3.69Å; D689-L692 HydrophobicContact CB-CB 3.88Å; D689-L692 VanDerWaalsContact CG-CB 3.46Å; D689-L692 PolarHBondContact O-N 3.37Å; D689-L692 PolarHBondContact OD1-N 2.98Å; D689-L692 WeakPolarHBondContact OD2-CB 3.43Å; L692-T696 VanDerWaalsContact O-CB 3.31Å; L692-T696 WeakPolarHBondContact O-CB 3.49Å; L692-T696 PolarHBondContact O-N 2.88Å; L692-T696 PolarHBondContact O-OG1 3.08Å
693V94.8Very high93.9Very high20 Ų2059.8 Ų59.812%0.12128%0.284CS..Hα-helixtrans-65.9-44.4176172.20000111M685 W687 D689 Q690 T696 C697 F728M685-V693 HydrophobicContact CE-CG2 3.9Å; W687-V693 HydrophobicContact CE3-CG2 4.02Å; D689-V693 VanDerWaalsContact O-CG2 3.29Å; D689-V693 WeakPolarHBondContact O-CG2 3.45Å; D689-V693 PolarHBondContact O-N 3.29Å; Q690-V693 PolarHBondContact O-N 3.18Å; V693-T696 PolarHBondContact O-N 3.36Å; V693-C697 WeakPolarHBondContact O-CB 3.38Å; V693-C697 PolarHBondContact O-N 2.73Å; V693-F728 HydrophobicContact CG1-CD2 3.95Å; V693-F728 HydrophobicContact CG1-CE2 4.35Å
694E94.3Very high93.9Very high107 Ų10757.4 Ų57.450%0.528%0.276SS..Hα-helixtrans-64.2-42.8176.8-77175.3-166.900112.5Q690 E691 T696 C697 T698Q690-E694 WeakPolarHBondContact CG-OE1 3.36Å; Q690-E694 PolarHBondContact NE2-OE1 2.78Å; Q690-E694 WeakPolarHBondContact O-CB 3.17Å; Q690-E694 WeakPolarHBondContact O-CG 3.35Å; Q690-E694 PolarHBondContact O-N 2.98Å; E691-E694 PolarHBondContact O-N 2.87Å; E694-T696 VanDerWaalsContact C-N 3.34Å; E694-T696 PolarHBondContact O-N 3.22Å; E694-C697 WeakPolarHBondContact O-CB 3.17Å; E694-C697 PolarHBondContact O-N 3.03Å; E694-T698 PolarHBondContact O-N 3.22Å; E694-T698 PolarHBondContact O-OG1 3.49Å
695F93.9Very high94Very high39 Ų3951.9 Ų51.917%0.17125%0.254CS..Hα-helixtrans-60.1-45.6173.3174.9-102.4000111.4L655 M659 R663 E691 T698 L699L655-F695 HydrophobicContact CD2-CD2 4.01Å; L655-F695 HydrophobicContact CD2-CE2 3.4Å; L655-F695 HydrophobicContact CD2-CZ 3.76Å; M659-F695 HydrophobicContact CB-CD1 3.75Å; M659-F695 HydrophobicContact CB-CE1 3.57Å; M659-F695 HydrophobicContact CB-CG 4.38Å; M659-F695 HydrophobicContact CB-CZ 4.07Å; M659-F695 HydrophobicContact CE-CB 4.34Å; M659-F695 HydrophobicContact CG-CB 4.45Å; M659-F695 HydrophobicContact CG-CD1 3.65Å; M659-F695 HydrophobicContact CG-CE1 4.04Å; M659-F695 HydrophobicContact CG-CG 4.01Å; M659-F695 VanDerWaalsContact O-CE1 3.27Å; M659-F695 WeakPolarHBondContact O-CE1 3.45Å; M659-F695 HydrophobicContact SD-CG 4.35Å; R663-F695 HydrophobicContact CB-CE1 4.49Å; R663-F695 HydrophobicContact CB-CZ 4.22Å; E691-F695 WeakPolarHBondContact O-CB 3.17Å; E691-F695 PolarHBondContact O-N 3.46Å; F695-T698 WeakPolarHBondContact O-CB 3.4Å; F695-T698 PolarHBondContact O-N 3.41Å; F695-L699 HydrophobicContact CD1-CD1 4.08Å; F695-L699 HydrophobicContact CE1-CD1 3.44Å; F695-L699 VanDerWaalsContact CE1-CD1 3.44Å; F695-L699 HydrophobicContact CE1-CG 4.13Å; F695-L699 HydrophobicContact CZ-CD1 3.79Å; F695-L699 HydrophobicContact CZ-CD2 4.23Å; F695-L699 HydrophobicContact CZ-CG 4.14Å; F695-L699 WeakPolarHBondContact O-CG 3.3Å; F695-L699 PolarHBondContact O-N 3.49Å; F695-L699 VanDerWaalsContact O-N 3.08Å
696T95.2Very high94Very high0 Ų051.2 Ų51.20%025%0.252CS..Hα-helixtrans-65.3-40.5178.3-57.10000111.3I662 M685 L692 V693 E694 T698 L699 F700 F728I662-T696 HydrophobicContact CG2-CG2 4.11Å; M685-T696 HydrophobicContact SD-CG2 4.48Å; M685-T696 PolarHBondContact SD-OG1 2.96Å; L692-T696 VanDerWaalsContact O-CB 3.31Å; L692-T696 WeakPolarHBondContact O-CB 3.49Å; L692-T696 PolarHBondContact O-N 2.88Å; L692-T696 PolarHBondContact O-OG1 3.08Å; V693-T696 PolarHBondContact O-N 3.36Å; E694-T696 VanDerWaalsContact C-N 3.34Å; E694-T696 PolarHBondContact O-N 3.22Å; T696-T698 VanDerWaalsContact C-N 3.31Å; T696-T698 PolarHBondContact O-N 3.37Å; T696-L699 WeakPolarHBondContact O-CB 3.46Å; T696-L699 PolarHBondContact O-N 3.35Å; T696-L699 VanDerWaalsContact O-N 3.11Å; T696-F700 HydrophobicContact CG2-CD2 3.9Å; T696-F700 HydrophobicContact CG2-CE2 3.84Å; T696-F700 WeakPolarHBondContact O-CD2 3.48Å; T696-F700 PolarHBondContact O-N 3.2Å; T696-F728 HydrophobicContact CG2-CE2 4.45Å; T696-F728 HydrophobicContact CG2-CZ 4.1Å
697C96.7Very high93.9Very high16 Ų1653.6 Ų53.611%0.10825%0.254CS..Hα-helixtrans-57-46.6173.6-174.80000110.6V693 E694 L699 F700 T701 F728V693-C697 WeakPolarHBondContact O-CB 3.38Å; V693-C697 PolarHBondContact O-N 2.73Å; E694-C697 WeakPolarHBondContact O-CB 3.17Å; E694-C697 PolarHBondContact O-N 3.03Å; C697-L699 VanDerWaalsContact C-N 3.29Å; C697-L699 PolarHBondContact O-N 3.33Å; C697-F700 PolarHBondContact O-N 3.3Å; C697-F700 VanDerWaalsContact O-N 3.12Å; C697-T701 PolarHBondContact O-N 2.89Å; C697-T701 PolarHBondContact O-OG1 3.16Å; C697-T701 VanDerWaalsContact O-OG1 3.09Å; C697-F728 HydrophobicContact CB-CD2 4.29Å; C697-F728 HydrophobicContact CB-CE2 3.66Å; C697-F728 HydrophobicContact CB-CZ 4.34Å
698T95.2Very high93.8Very high73 Ų7355.5 Ų55.545%0.44826%0.262SS..Hα-helixtrans-57-41.7175.6-57.60000111.8E694 F695 T696 T701 R702E694-T698 PolarHBondContact O-N 3.22Å; E694-T698 PolarHBondContact O-OG1 3.49Å; F695-T698 WeakPolarHBondContact O-CB 3.4Å; F695-T698 PolarHBondContact O-N 3.41Å; T696-T698 VanDerWaalsContact C-N 3.31Å; T696-T698 PolarHBondContact O-N 3.37Å; T698-T701 PolarHBondContact O-N 3.4Å; T698-R702 HydrophobicContact CG2-CG 4.29Å; T698-R702 WeakPolarHBondContact O-CB 3.46Å; T698-R702 WeakPolarHBondContact O-CG 3.48Å; T698-R702 PolarHBondContact O-N 3.45Å
699L95.3Very high93.8Very high9 Ų953 Ų535%0.04725%0.252CS..Hα-helixtrans-66.3-39176.7-65.7177.2000113.2I662 R663 L666 L667 F695 T696 C697 T701 R702I662-L699 HydrophobicContact CG2-CD1 3.89Å; R663-L699 HydrophobicContact CB-CD1 4.11Å; R663-L699 HydrophobicContact CG-CD2 4.29Å; L666-L699 HydrophobicContact CD1-CB 3.96Å; L666-L699 HydrophobicContact CD1-CD1 4.13Å; L667-L699 HydrophobicContact CD1-CD2 4.28Å; F695-L699 HydrophobicContact CD1-CD1 4.08Å; F695-L699 HydrophobicContact CE1-CD1 3.44Å; F695-L699 VanDerWaalsContact CE1-CD1 3.44Å; F695-L699 HydrophobicContact CE1-CG 4.13Å; F695-L699 HydrophobicContact CZ-CD1 3.79Å; F695-L699 HydrophobicContact CZ-CD2 4.23Å; F695-L699 HydrophobicContact CZ-CG 4.14Å; F695-L699 WeakPolarHBondContact O-CG 3.3Å; F695-L699 PolarHBondContact O-N 3.49Å; F695-L699 VanDerWaalsContact O-N 3.08Å; T696-L699 WeakPolarHBondContact O-CB 3.46Å; T696-L699 PolarHBondContact O-N 3.35Å; T696-L699 VanDerWaalsContact O-N 3.11Å; C697-L699 VanDerWaalsContact C-N 3.29Å; C697-L699 PolarHBondContact O-N 3.33Å; L699-T701 VanDerWaalsContact C-N 3.35Å; L699-R702 PolarHBondContact O-N 3.23Å
700F97Very high93.8Very high0 Ų051.1 Ų51.10%024%0.242CC..Hα-helixtrans-71.3-30.2176.2-88.1-86.3000113L666 I682 T696 C697 L714 V717 L718 L721 F728 V732 Y761L666-F700 HydrophobicContact CD1-CD2 4.11Å; L666-F700 HydrophobicContact CD1-CE2 3.8Å; L666-F700 HydrophobicContact CD1-CZ 4.36Å; L666-F700 HydrophobicContact CD2-CE2 4.25Å; L666-F700 HydrophobicContact CD2-CZ 3.97Å; I682-F700 HydrophobicContact CD1-CE2 4.01Å; I682-F700 HydrophobicContact CD1-CZ 3.88Å; T696-F700 HydrophobicContact CG2-CD2 3.9Å; T696-F700 HydrophobicContact CG2-CE2 3.84Å; T696-F700 WeakPolarHBondContact O-CD2 3.48Å; T696-F700 PolarHBondContact O-N 3.2Å; C697-F700 PolarHBondContact O-N 3.3Å; C697-F700 VanDerWaalsContact O-N 3.12Å; F700-L714 HydrophobicContact CD1-CD1 3.6Å; F700-L714 HydrophobicContact CD1-CG 4.06Å; F700-L714 HydrophobicContact CE1-CD1 3.69Å; F700-L714 HydrophobicContact CE1-CG 4.38Å; F700-L714 HydrophobicContact CG-CD1 4.35Å; F700-L714 HydrophobicContact CZ-CD1 4.5Å; F700-V717 HydrophobicContact CE1-CB 4.17Å; F700-V717 HydrophobicContact CE1-CG1 3.95Å; F700-V717 HydrophobicContact CZ-CB 4.38Å; F700-V717 HydrophobicContact CZ-CG1 3.67Å; F700-L718 HydrophobicContact CD1-CB 4.09Å; F700-L718 HydrophobicContact CD1-CD1 3.99Å; F700-L718 HydrophobicContact CE1-CB 4.09Å; F700-L718 HydrophobicContact CE1-CD1 4.36Å; F700-L718 HydrophobicContact CG-CD1 4.42Å; F700-L721 HydrophobicContact CE1-CD1 4.3Å; F700-L721 HydrophobicContact CE2-CD1 4Å; F700-L721 HydrophobicContact CZ-CD1 3.62Å; F700-F728 HydrophobicContact CB-CZ 4.45Å; F700-F728 HydrophobicContact CD2-CE1 4Å; F700-F728 AromaticContact CD2-CZ 3.7Å; F700-F728 HydrophobicContact CD2-CZ 3.7Å; F700-F728 HydrophobicContact CE2-CE1 4.34Å; F700-F728 HydrophobicContact CE2-CZ 4.24Å; F700-F728 HydrophobicContact CG-CE1 4.29Å; F700-F728 HydrophobicContact CG-CZ 4.25Å; F700-V732 HydrophobicContact CB-CG1 4.01Å; F700-V732 HydrophobicContact CB-CG2 3.74Å; F700-Y761 WeakPolarHBondContact O-CE1 3.35Å; F700-Y761 PolarHBondContact O-OH 3.38Å
701T96.4Very high94Very high16 Ų1645.6 Ų45.610%0.09822%0.216CC..Hα-helixtrans-68.5-45.9172-62.30000110.4C697 T698 L699 A703 N735 M758C697-T701 PolarHBondContact O-N 2.89Å; C697-T701 PolarHBondContact O-OG1 3.16Å; C697-T701 VanDerWaalsContact O-OG1 3.09Å; T698-T701 PolarHBondContact O-N 3.4Å; L699-T701 VanDerWaalsContact C-N 3.35Å; T701-A703 PolarHBondContact O-N 3.21Å; T701-N735 HydrophobicContact CG2-CB 3.58Å; T701-N735 WeakPolarHBondContact OG1-CB 3.4Å; T701-N735 PolarHBondContact OG1-ND2 2.89Å; T701-M758 WeakPolarHBondContact O-CE 3.28Å
702R94.3Very high94.1Very high98 Ų9841.7 Ų41.737%0.3720%0.199SC..  trans-7556.9-174.7-65.1174.663.4117.94.3114T698 L699 W704 D705T698-R702 HydrophobicContact CG2-CG 4.29Å; T698-R702 WeakPolarHBondContact O-CB 3.46Å; T698-R702 WeakPolarHBondContact O-CG 3.48Å; T698-R702 PolarHBondContact O-N 3.45Å; L699-R702 PolarHBondContact O-N 3.23Å; R702-W704 HydrophobicContact CB-CH2 4.06Å; R702-W704 HydrophobicContact CB-CZ2 3.95Å; R702-W704 HydrophobicContact CB-CZ3 4.37Å; R702-W704 HydrophobicContact CG-CH2 3.57Å; R702-W704 HydrophobicContact CG-CZ2 3.58Å; R702-W704 HydrophobicContact CG-CZ3 4.27Å; R702-W704 PolarHBondContact O-N 3.45Å; R702-D705 IonicContact CZ-OD2 2.83Å; R702-D705 VanDerWaalsContact CZ-OD2 3.24Å; R702-D705 IonicContact NE-OD2 3.66Å; R702-D705 PolarHBondContact NE-OD2 3.34Å; R702-D705 IonicContact NH2-OD1 3.74Å; R702-D705 IonicContact NH2-OD2 3.7Å; R702-D705 PolarHBondContact NH2-OD2 3.22Å; R702-D705 PolarHBondContact O-N 3.49Å; R702-D705 VanDerWaalsContact O-N 3.08Å
703A93.6Very high94.3Very high0 Ų041.9 Ų41.90%020%0.2CC..G310 helixtrans-61.1-20.9-176.900000114.1T701 D705 V706 L714 V757 M758 Y761T701-A703 PolarHBondContact O-N 3.21Å; A703-D705 VanDerWaalsContact C-N 3.26Å; A703-D705 PolarHBondContact O-N 3.39Å; A703-V706 WeakPolarHBondContact O-CB 3.48Å; A703-V706 PolarHBondContact O-N 2.97Å; A703-V706 VanDerWaalsContact O-N 3.16Å; A703-L714 HydrophobicContact CB-CD2 3.98Å; A703-V757 VanDerWaalsContact C-CG1 3.49Å; A703-V757 HydrophobicContact CB-CG1 3.92Å; A703-V757 WeakPolarHBondContact O-CG1 3.42Å; A703-M758 HydrophobicContact CB-SD 3.94Å; A703-Y761 HydrophobicContact CB-CD1 3.54Å; A703-Y761 HydrophobicContact CB-CD2 4.49Å; A703-Y761 HydrophobicContact CB-CE1 3.93Å; A703-Y761 HydrophobicContact CB-CG 3.85Å
704W93.7Very high94.4Very high57 Ų5740.9 Ų40.922%0.21620%0.195CC..G310 helixtrans-69.7-19176.668.678.1000114R702 V706 R754 V757 M758R702-W704 HydrophobicContact CB-CH2 4.06Å; R702-W704 HydrophobicContact CB-CZ2 3.95Å; R702-W704 HydrophobicContact CB-CZ3 4.37Å; R702-W704 HydrophobicContact CG-CH2 3.57Å; R702-W704 HydrophobicContact CG-CZ2 3.58Å; R702-W704 HydrophobicContact CG-CZ3 4.27Å; R702-W704 PolarHBondContact O-N 3.45Å; W704-V706 VanDerWaalsContact C-N 3.27Å; W704-R754 HydrophobicContact CB-CB 4.06Å; W704-R754 HydrophobicContact CB-CG 4.21Å; W704-R754 HydrophobicContact CD2-CB 4.39Å; W704-R754 HydrophobicContact CD2-CG 3.76Å; W704-R754 HydrophobicContact CE3-CG 3.52Å; W704-R754 HydrophobicContact CG-CB 4.16Å; W704-R754 HydrophobicContact CG-CG 4.05Å; W704-R754 HydrophobicContact CZ3-CG 4.15Å; W704-R754 VanDerWaalsContact CZ3-CZ 3.41Å; W704-V757 HydrophobicContact CB-CB 4.3Å; W704-V757 HydrophobicContact CB-CG1 4.22Å; W704-M758 HydrophobicContact CE3-CE 3.38Å; W704-M758 HydrophobicContact CE3-CG 4.36Å; W704-M758 HydrophobicContact CE3-SD 3.82Å; W704-M758 HydrophobicContact CZ3-CE 3.23Å; W704-M758 HydrophobicContact CZ3-SD 4.28Å
705D93.7Very high94.5Very high59 Ų5935.8 Ų35.832%0.31617%0.171SC..G310 helixtrans-80.7-11.6173.7-67.9-28.2000111.6L667 R702 A703L667-D705 HydrophobicContact CD1-CB 4.27Å; L667-D705 HydrophobicContact CD2-CB 3.84Å; R702-D705 IonicContact CZ-OD2 2.83Å; R702-D705 VanDerWaalsContact CZ-OD2 3.24Å; R702-D705 IonicContact NE-OD2 3.66Å; R702-D705 PolarHBondContact NE-OD2 3.34Å; R702-D705 IonicContact NH2-OD1 3.74Å; R702-D705 IonicContact NH2-OD2 3.7Å; R702-D705 PolarHBondContact NH2-OD2 3.22Å; R702-D705 PolarHBondContact O-N 3.49Å; R702-D705 VanDerWaalsContact O-N 3.08Å; A703-D705 VanDerWaalsContact C-N 3.26Å; A703-D705 PolarHBondContact O-N 3.39Å
706V91.9Very high94.6Very high10 Ų1035.7 Ų35.76%0.06118%0.175CC..SBendtrans-89.6144.6174.7-178.60000109.8L667 A703 W704 Y708 N710 L714L667-V706 HydrophobicContact CD2-CG2 3.79Å; A703-V706 WeakPolarHBondContact O-CB 3.48Å; A703-V706 PolarHBondContact O-N 2.97Å; A703-V706 VanDerWaalsContact O-N 3.16Å; W704-V706 VanDerWaalsContact C-N 3.27Å; V706-Y708 PolarHBondContact O-N 3.25Å; V706-N710 HydrophobicContact CG1-CB 4.35Å; V706-L714 HydrophobicContact CG2-CD2 4.21Å
707R90.6Very high94.7Very high135 Ų13535.7 Ų35.751%0.50918%0.175SC..  trans-53.6130.5174-66.6-172.8-67.2170.9-5.4110.8T709 N710R707-T709 PolarHBondContact O-N 3.15Å; R707-N710 PolarHBondContact NE-ND2 2.91Å; R707-N710 PolarHBondContact NH2-ND2 3.21Å; R707-N710 PolarHBondContact O-N 2.8Å
708Y91.6Very high94.7Very high86 Ų8634.9 Ų34.934%0.33717%0.169SC..G310 helixtrans-52.5-35.1-175.7-172.2-97.5000114.2V706 N710 I711 I756 V757 K760V706-Y708 PolarHBondContact O-N 3.25Å; Y708-N710 VanDerWaalsContact C-N 3.27Å; Y708-N710 PolarHBondContact O-N 3.46Å; Y708-I711 HydrophobicContact CD2-CD1 3.75Å; Y708-I711 HydrophobicContact CE2-CD1 4.2Å; Y708-I711 HydrophobicContact CG-CD1 4.23Å; Y708-I711 WeakPolarHBondContact O-CD1 3.38Å; Y708-I711 WeakPolarHBondContact O-CG1 3.42Å; Y708-I756 HydrophobicContact CE2-CG2 3.98Å; Y708-V757 HydrophobicContact CD2-CG2 3.77Å; Y708-V757 HydrophobicContact CE2-CG2 4.17Å; Y708-K760 HydrophobicContact CE1-CD 4.12Å; Y708-K760 HydrophobicContact CE2-CD 3.8Å; Y708-K760 VanDerWaalsContact CZ-CD 3.46Å; Y708-K760 WeakPolarHBondContact OH-CD 3.5Å; Y708-K760 PolarHBondContact OH-NZ 3.38Å
709T91.8Very high94.7Very high98 Ų9833.1 Ų33.160%0.60116%0.16SC*.G310 helixtrans-71.5-17.5178.950.60000114.3R707 N712R707-T709 PolarHBondContact O-N 3.15Å; T709-N712 PolarHBondContact O-OD1 3.16Å
710N93.6Very high94.7Very high14 Ų1433.5 Ų33.58%0.07517%0.166CC..G310 helixtrans-112.57.1-173.8-65.9-9.7000113.5L670 V706 R707 Y708 N712 C713 L714L670-N710 PolarHBondContact O-ND2 3.05Å; V706-N710 HydrophobicContact CG1-CB 4.35Å; R707-N710 PolarHBondContact NE-ND2 2.91Å; R707-N710 PolarHBondContact NH2-ND2 3.21Å; R707-N710 PolarHBondContact O-N 2.8Å; Y708-N710 VanDerWaalsContact C-N 3.27Å; Y708-N710 PolarHBondContact O-N 3.46Å; N710-N712 PolarHBondContact O-N 3.49Å; N710-C713 WeakPolarHBondContact O-CA 3.12Å; N710-C713 WeakPolarHBondContact O-CB 3.47Å; N710-C713 PolarHBondContact O-N 3.16Å; N710-L714 PolarHBondContact O-N 3.48Å
711I95.2Very high94.6Very high1 Ų133.5 Ų33.51%0.00517%0.166CC..Hα-helixtrans-57.7-34.4177.7-59.6163.2000111.2Y708 C713 L714 A715 V757 K760 Y761 L764Y708-I711 HydrophobicContact CD2-CD1 3.75Å; Y708-I711 HydrophobicContact CE2-CD1 4.2Å; Y708-I711 HydrophobicContact CG-CD1 4.23Å; Y708-I711 WeakPolarHBondContact O-CD1 3.38Å; Y708-I711 WeakPolarHBondContact O-CG1 3.42Å; I711-C713 PolarHBondContact O-N 2.73Å; I711-L714 WeakPolarHBondContact O-CB 3.28Å; I711-L714 PolarHBondContact O-N 2.96Å; I711-L714 VanDerWaalsContact O-N 3.15Å; I711-A715 PolarHBondContact O-N 3.4Å; I711-A715 VanDerWaalsContact O-N 3.11Å; I711-V757 HydrophobicContact CD1-CB 4.34Å; I711-V757 HydrophobicContact CD1-CG1 3.69Å; I711-V757 HydrophobicContact CD1-CG2 4.18Å; I711-V757 HydrophobicContact CG1-CG1 4.33Å; I711-K760 HydrophobicContact CD1-CD 4.38Å; I711-K760 HydrophobicContact CD1-CG 4.47Å; I711-Y761 HydrophobicContact CG2-CD2 3.56Å; I711-Y761 HydrophobicContact CG2-CE2 4.44Å; I711-Y761 HydrophobicContact CG2-CG 4.01Å; I711-L764 HydrophobicContact CB-CD1 4.03Å; I711-L764 HydrophobicContact CG2-CD1 3.68Å
712N95.4Very high94.6Very high38 Ų3833.9 Ų33.920%0.20317%0.171CC..Hα-helixtrans-62.7-28.4174.868.3-37.7000113.1T709 N710 S716 L764 Y768T709-N712 PolarHBondContact O-OD1 3.16Å; N710-N712 PolarHBondContact O-N 3.49Å; N712-S716 WeakPolarHBondContact O-CB 3.4Å; N712-S716 PolarHBondContact O-N 2.85Å; N712-S716 VanDerWaalsContact O-N 3.11Å; N712-L764 HydrophobicContact CB-CD1 4.12Å; N712-L764 HydrophobicContact CB-CD2 4Å; N712-Y768 VanDerWaalsContact O-CE2 3.3Å; N712-Y768 WeakPolarHBondContact O-CE2 3.42Å; N712-Y768 PolarHBondContact O-OH 3.35Å; N712-Y768 VanDerWaalsContact O-OH 3.11Å
713C96.3Very high94.6Very high3 Ų334.2 Ų34.22%0.0218%0.184CC..Hα-helixtrans-71.1-41.2175-58.20000110.1L670 V675 N710 I711 S716 V717L670-C713 HydrophobicContact CD1-CB 4.09Å; L670-C713 HydrophobicContact CD2-CB 4.24Å; L670-C713 HydrophobicContact CG-CB 3.94Å; V675-C713 HydrophobicContact CG2-CB 3.68Å; N710-C713 WeakPolarHBondContact O-CA 3.12Å; N710-C713 WeakPolarHBondContact O-CB 3.47Å; N710-C713 PolarHBondContact O-N 3.16Å; I711-C713 PolarHBondContact O-N 2.73Å; C713-S716 WeakPolarHBondContact O-CB 3.46Å; C713-S716 PolarHBondContact O-N 3.39Å; C713-V717 WeakPolarHBondContact O-CG2 3.5Å; C713-V717 PolarHBondContact O-N 3.46Å
714L96.9Very high94.6Very high0 Ų040.5 Ų40.50%021%0.209CC..Hα-helixtrans-60.7-46.6176-171.969.4000111.2L666 L670 F700 A703 V706 N710 I711 S716 V717 L718 Y761L666-L714 HydrophobicContact CD2-CD1 4.07Å; L670-L714 HydrophobicContact CD2-CB 4.08Å; L670-L714 HydrophobicContact CD2-CD1 4.12Å; F700-L714 HydrophobicContact CD1-CD1 3.6Å; F700-L714 HydrophobicContact CD1-CG 4.06Å; F700-L714 HydrophobicContact CE1-CD1 3.69Å; F700-L714 HydrophobicContact CE1-CG 4.38Å; F700-L714 HydrophobicContact CG-CD1 4.35Å; F700-L714 HydrophobicContact CZ-CD1 4.5Å; A703-L714 HydrophobicContact CB-CD2 3.98Å; V706-L714 HydrophobicContact CG2-CD2 4.21Å; N710-L714 PolarHBondContact O-N 3.48Å; I711-L714 WeakPolarHBondContact O-CB 3.28Å; I711-L714 PolarHBondContact O-N 2.96Å; I711-L714 VanDerWaalsContact O-N 3.15Å; L714-S716 VanDerWaalsContact C-N 3.31Å; L714-S716 PolarHBondContact O-N 2.96Å; L714-V717 PolarHBondContact O-N 3.26Å; L714-L718 PolarHBondContact O-N 3.16Å; L714-Y761 HydrophobicContact CB-CE2 4.29Å; L714-Y761 HydrophobicContact CD2-CE1 4.27Å; L714-Y761 HydrophobicContact CD2-CE2 3.97Å; L714-Y761 HydrophobicContact CG-CE2 4.14Å
715A96.7Very high94.6Very high0 Ų040.4 Ų40.40%021%0.211CC..Hα-helixtrans-61.3-39.1176.400000112.3I711 L718 S719 Y761 L764 L765 Y768I711-A715 PolarHBondContact O-N 3.4Å; I711-A715 VanDerWaalsContact O-N 3.11Å; A715-L718 PolarHBondContact O-N 3.06Å; A715-S719 WeakPolarHBondContact O-CB 3.09Å; A715-S719 PolarHBondContact O-N 3.41Å; A715-Y761 HydrophobicContact CB-CD2 4.26Å; A715-Y761 HydrophobicContact CB-CE2 3.85Å; A715-L764 HydrophobicContact CB-CB 4Å; A715-L765 HydrophobicContact CB-CD2 4.22Å; A715-Y768 HydrophobicContact CB-CD2 3.51Å; A715-Y768 HydrophobicContact CB-CE2 3.82Å; A715-Y768 HydrophobicContact CB-CG 4.42Å
716S95.8Very high94.5Very high36 Ų3640.9 Ų40.925%0.25222%0.218SC..Hα-helixtrans-64-42.9175-178.70000112.5N712 C713 L714 S719 G720N712-S716 WeakPolarHBondContact O-CB 3.4Å; N712-S716 PolarHBondContact O-N 2.85Å; N712-S716 VanDerWaalsContact O-N 3.11Å; C713-S716 WeakPolarHBondContact O-CB 3.46Å; C713-S716 PolarHBondContact O-N 3.39Å; L714-S716 VanDerWaalsContact C-N 3.31Å; L714-S716 PolarHBondContact O-N 2.96Å; S716-S719 PolarHBondContact O-N 3.37Å; S716-G720 PolarHBondContact O-N 2.97Å
717V96.8Very high94.6Very high0 Ų047 Ų470%025%0.251CS..Hα-helixtrans-62.7-46.1175.7178.10000110.1L670 V675 L679 I682 F700 C713 L714 S719 G720 L721L670-V717 HydrophobicContact CD1-CG2 4.14Å; V675-V717 HydrophobicContact CG1-CG2 3.8Å; L679-V717 HydrophobicContact CB-CG1 4.26Å; L679-V717 HydrophobicContact CD1-CG1 4.14Å; I682-V717 HydrophobicContact CD1-CG1 4.16Å; F700-V717 HydrophobicContact CE1-CB 4.17Å; F700-V717 HydrophobicContact CE1-CG1 3.95Å; F700-V717 HydrophobicContact CZ-CB 4.38Å; F700-V717 HydrophobicContact CZ-CG1 3.67Å; C713-V717 WeakPolarHBondContact O-CG2 3.5Å; C713-V717 PolarHBondContact O-N 3.46Å; L714-V717 PolarHBondContact O-N 3.26Å; V717-S719 VanDerWaalsContact C-N 3.33Å; V717-S719 PolarHBondContact O-N 3.41Å; V717-G720 PolarHBondContact O-N 3.41Å; V717-G720 VanDerWaalsContact O-N 3.16Å; V717-L721 HydrophobicContact CG1-CD1 4.14Å; V717-L721 HydrophobicContact CG1-CG 4.42Å; V717-L721 WeakPolarHBondContact O-CG 3.5Å; V717-L721 PolarHBondContact O-N 3.46Å
718L97.3Very high94.9Very high0 Ų041.3 Ų41.30%023%0.23CC..Hα-helixtrans-61-41.2179.2-171.762.9000112.2F700 L714 A715 G720 L721 A722 F728 A729 V732 L765 L770F700-L718 HydrophobicContact CD1-CB 4.09Å; F700-L718 HydrophobicContact CD1-CD1 3.99Å; F700-L718 HydrophobicContact CE1-CB 4.09Å; F700-L718 HydrophobicContact CE1-CD1 4.36Å; F700-L718 HydrophobicContact CG-CD1 4.42Å; L714-L718 PolarHBondContact O-N 3.16Å; A715-L718 PolarHBondContact O-N 3.06Å; L718-G720 VanDerWaalsContact C-N 3.33Å; L718-G720 PolarHBondContact O-N 2.97Å; L718-L721 PolarHBondContact O-N 3.44Å; L718-L721 VanDerWaalsContact O-N 3.11Å; L718-A722 PolarHBondContact O-N 3.47Å; L718-F728 HydrophobicContact CD1-CD1 3.97Å; L718-F728 HydrophobicContact CD1-CE1 3.71Å; L718-A729 HydrophobicContact CD1-CB 4.22Å; L718-A729 HydrophobicContact CG-CB 4.41Å; L718-V732 HydrophobicContact CD1-CB 4.31Å; L718-V732 HydrophobicContact CD1-CG2 4.19Å; L718-V732 HydrophobicContact CD2-CB 3.98Å; L718-V732 HydrophobicContact CD2-CG1 3.58Å; L718-L765 HydrophobicContact CD2-CD2 3.74Å; L718-L770 HydrophobicContact CB-CD1 4.03Å; L718-L770 HydrophobicContact CD2-CD1 3.81Å; L718-L770 HydrophobicContact CG-CD1 3.76Å
719S95.9Very high95.1Very high35 Ų3537.4 Ų37.425%0.24522%0.215CC..Hα-helixtrans-61.4-41.4175.1-178.70000112A715 S716 V717 L721 A722 Y768A715-S719 WeakPolarHBondContact O-CB 3.09Å; A715-S719 PolarHBondContact O-N 3.41Å; S716-S719 PolarHBondContact O-N 3.37Å; V717-S719 VanDerWaalsContact C-N 3.33Å; V717-S719 PolarHBondContact O-N 3.41Å; S719-L721 VanDerWaalsContact C-N 3.32Å; S719-L721 PolarHBondContact O-N 3.44Å; S719-A722 PolarHBondContact O-N 3.41Å; S719-Y768 PolarHBondContact OG-O 3.2Å
720G94Very high95.4Very high18 Ų1837.4 Ų37.419%0.18621%0.21CC..Hα-helixtrans-62.7-36172.200000113.5S716 V717 L718 T723S716-G720 PolarHBondContact O-N 2.97Å; V717-G720 PolarHBondContact O-N 3.41Å; V717-G720 VanDerWaalsContact O-N 3.16Å; L718-G720 VanDerWaalsContact C-N 3.33Å; L718-G720 PolarHBondContact O-N 2.97Å; G720-T723 PolarHBondContact O-OG1 2.85Å
721L95.6Very high95.5Very high0 Ų038.5 Ų38.50%022%0.221CC..Hα-helixtrans-73.4-36177.9-68.8175000112.8L679 I682 R683 W687 F700 V717 L718 S719 T723 Y724 H725 F728L679-L721 HydrophobicContact CD1-CD2 3.7Å; L679-L721 HydrophobicContact CD1-CG 3.77Å; I682-L721 HydrophobicContact CG2-CD1 3.87Å; I682-L721 HydrophobicContact CG2-CD2 4.06Å; R683-L721 HydrophobicContact CG-CD2 3.78Å; W687-L721 HydrophobicContact CH2-CD1 4.46Å; W687-L721 HydrophobicContact CH2-CD2 4.37Å; W687-L721 HydrophobicContact CZ2-CD2 3.93Å; F700-L721 HydrophobicContact CE1-CD1 4.3Å; F700-L721 HydrophobicContact CE2-CD1 4Å; F700-L721 HydrophobicContact CZ-CD1 3.62Å; V717-L721 HydrophobicContact CG1-CD1 4.14Å; V717-L721 HydrophobicContact CG1-CG 4.42Å; V717-L721 WeakPolarHBondContact O-CG 3.5Å; V717-L721 PolarHBondContact O-N 3.46Å; L718-L721 PolarHBondContact O-N 3.44Å; L718-L721 VanDerWaalsContact O-N 3.11Å; S719-L721 VanDerWaalsContact C-N 3.32Å; S719-L721 PolarHBondContact O-N 3.44Å; L721-T723 PolarHBondContact O-N 2.76Å; L721-T723 VanDerWaalsContact O-N 3.09Å; L721-Y724 PolarHBondContact O-N 3.12Å; L721-H725 PolarHBondContact O-N 3.02Å; L721-F728 HydrophobicContact CD1-CE1 4.21Å
722A95.3Very high95.7Very high23 Ų2338.5 Ų38.519%0.1922%0.221CC..Hα-helixtrans-57.5-27.6-17900000113.6L718 S719 Y724 S726 A729 L770L718-A722 PolarHBondContact O-N 3.47Å; S719-A722 PolarHBondContact O-N 3.41Å; A722-Y724 PolarHBondContact O-N 2.92Å; A722-S726 PolarHBondContact O-N 3.31Å; A722-A729 HydrophobicContact CB-CB 3.56Å; A722-L770 HydrophobicContact CB-CD2 3.48Å; A722-L770 VanDerWaalsContact CB-CD2 3.48Å
723T94Very high95.8Very high106 Ų10637.2 Ų37.265%0.6521%0.214SC*.THydrogen-bonded Turntrans-66.3-20.617661.40000114.4G720 L721G720-T723 PolarHBondContact O-OG1 2.85Å; L721-T723 PolarHBondContact O-N 2.76Å; L721-T723 VanDerWaalsContact O-N 3.09Å
724Y93.7Very high95.8Very high131 Ų13141.4 Ų41.451%0.51424%0.237SC..THydrogen-bonded Turntrans-114.3-33.5178.6-59-86.4000112.1R683 L721 A722R683-Y724 VanDerWaalsContact NH1-CE2 3.31Å; R683-Y724 VanDerWaalsContact NH1-CZ 3.3Å; R683-Y724 PolarHBondContact NH1-OH 3.06Å; R683-Y724 VanDerWaalsContact NH1-OH 3.07Å; R683-Y724 PolarHBondContact NH2-OH 3.49Å; L721-Y724 PolarHBondContact O-N 3.12Å; A722-Y724 PolarHBondContact O-N 2.92Å
725H93.9Very high95.9Very high56 Ų5644.7 Ų44.726%0.25925%0.254SS..  trans-130.975-175.7-56.4-73.2000109.7W687 L721 F728 A729W687-H725 AromaticContact CD1-CE1 3.83Å; W687-H725 AromaticContact CD1-NE2 3.58Å; W687-H725 AromaticContact CD2-CD2 3.62Å; W687-H725 AromaticContact CD2-CE1 3.42Å; W687-H725 VanDerWaalsContact CD2-CE1 3.42Å; W687-H725 AromaticContact CD2-CG 3.86Å; W687-H725 AromaticContact CD2-ND1 3.74Å; W687-H725 AromaticContact CD2-NE2 3.37Å; W687-H725 AromaticContact CE2-CD2 3.42Å; W687-H725 VanDerWaalsContact CE2-CD2 3.42Å; W687-H725 AromaticContact CE2-CE1 3.89Å; W687-H725 AromaticContact CE2-NE2 3.31Å; W687-H725 VanDerWaalsContact CE2-NE2 3.31Å; W687-H725 HydrophobicContact CE3-CB 4.28Å; W687-H725 AromaticContact CE3-CD2 3.84Å; W687-H725 AromaticContact CE3-CE1 3.85Å; W687-H725 AromaticContact CE3-CG 3.65Å; W687-H725 AromaticContact CE3-ND1 3.66Å; W687-H725 AromaticContact CG-CE1 3.41Å; W687-H725 VanDerWaalsContact CG-CE1 3.41Å; W687-H725 AromaticContact CG-NE2 3.57Å; W687-H725 HydrophobicContact CH2-CB 4.21Å; W687-H725 AromaticContact CH2-CD2 3.72Å; W687-H725 AromaticContact CH2-CG 3.97Å; W687-H725 AromaticContact CZ2-CD2 3.49Å; W687-H725 VanDerWaalsContact CZ2-CD2 3.49Å; W687-H725 WeakPolarHBondContact CZ2-CD2 3.38Å; W687-H725 AromaticContact CZ2-NE2 3.89Å; W687-H725 HydrophobicContact CZ3-CB 3.91Å; W687-H725 AromaticContact CZ3-CD2 3.88Å; W687-H725 AromaticContact CZ3-CG 3.71Å; W687-H725 AromaticContact NE1-NE2 3.46Å; W687-H725 PolarHBondContact NE1-NE2 3.45Å; L721-H725 PolarHBondContact O-N 3.02Å; H725-F728 HydrophobicContact CB-CB 3.95Å; H725-F728 PolarHBondContact O-N 3.25Å; H725-A729 PolarHBondContact O-N 3.22Å
726S93.2Very high96Very high68 Ų6844.7 Ų44.748%0.47625%0.254SS..Hα-helixtrans-62.2-42.8-179.1-170.20000111.8A722 F728 A729 M730A722-S726 PolarHBondContact O-N 3.31Å; S726-F728 VanDerWaalsContact C-N 3.29Å; S726-F728 PolarHBondContact O-N 2.82Å; S726-A729 PolarHBondContact O-N 3.09Å; S726-A729 VanDerWaalsContact O-N 3.11Å; S726-M730 WeakPolarHBondContact O-CG 3.08Å; S726-M730 PolarHBondContact O-N 2.96Å
727D93.9Very high96Very high140 Ų14045.6 Ų45.675%0.74926%0.256SS*.Hα-helixtrans-60.8-38.5-178.6-56.7-24.9000112.1M730 A731D727-M730 PolarHBondContact O-N 3.11Å; D727-A731 WeakPolarHBondContact O-CB 3.38Å; D727-A731 PolarHBondContact O-N 3.43Å
728F96.7Very high96.1Very high14 Ų1450.8 Ų50.86%0.06128%0.28CS..Hα-helixtrans-62.9-45.7174.7176.7-92.8000111.9W687 V693 T696 C697 F700 L718 L721 H725 S726 A731 V732W687-F728 HydrophobicContact CH2-CD1 4.18Å; W687-F728 HydrophobicContact CH2-CD2 4.32Å; W687-F728 HydrophobicContact CH2-CE1 4.45Å; W687-F728 HydrophobicContact CH2-CG 4.12Å; W687-F728 HydrophobicContact CZ3-CB 4.01Å; W687-F728 HydrophobicContact CZ3-CD1 4.29Å; W687-F728 AromaticContact CZ3-CD2 3.79Å; W687-F728 HydrophobicContact CZ3-CD2 3.79Å; W687-F728 HydrophobicContact CZ3-CE2 4.32Å; W687-F728 AromaticContact CZ3-CG 3.76Å; W687-F728 HydrophobicContact CZ3-CG 3.76Å; V693-F728 HydrophobicContact CG1-CD2 3.95Å; V693-F728 HydrophobicContact CG1-CE2 4.35Å; T696-F728 HydrophobicContact CG2-CE2 4.45Å; T696-F728 HydrophobicContact CG2-CZ 4.1Å; C697-F728 HydrophobicContact CB-CD2 4.29Å; C697-F728 HydrophobicContact CB-CE2 3.66Å; C697-F728 HydrophobicContact CB-CZ 4.34Å; F700-F728 HydrophobicContact CB-CZ 4.45Å; F700-F728 HydrophobicContact CD2-CE1 4Å; F700-F728 AromaticContact CD2-CZ 3.7Å; F700-F728 HydrophobicContact CD2-CZ 3.7Å; F700-F728 HydrophobicContact CE2-CE1 4.34Å; F700-F728 HydrophobicContact CE2-CZ 4.24Å; F700-F728 HydrophobicContact CG-CE1 4.29Å; F700-F728 HydrophobicContact CG-CZ 4.25Å; L718-F728 HydrophobicContact CD1-CD1 3.97Å; L718-F728 HydrophobicContact CD1-CE1 3.71Å; L721-F728 HydrophobicContact CD1-CE1 4.21Å; H725-F728 HydrophobicContact CB-CB 3.95Å; H725-F728 PolarHBondContact O-N 3.25Å; S726-F728 VanDerWaalsContact C-N 3.29Å; S726-F728 PolarHBondContact O-N 2.82Å; F728-A731 PolarHBondContact O-N 3.31Å; F728-V732 HydrophobicContact CD1-CG2 4.49Å; F728-V732 HydrophobicContact CE1-CG2 4.08Å; F728-V732 HydrophobicContact CZ-CG2 4.21Å; F728-V732 WeakPolarHBondContact O-CG2 3.37Å; F728-V732 PolarHBondContact O-N 3.11Å; F728-V732 VanDerWaalsContact O-N 3.11Å
729A96.2Very high96.1Very high4 Ų451.9 Ų51.93%0.03329%0.286CS..Hα-helixtrans-66.2-39.417900000111.9L718 A722 H725 S726 V732 V733 L770L718-A729 HydrophobicContact CD1-CB 4.22Å; L718-A729 HydrophobicContact CG-CB 4.41Å; A722-A729 HydrophobicContact CB-CB 3.56Å; H725-A729 PolarHBondContact O-N 3.22Å; S726-A729 PolarHBondContact O-N 3.09Å; S726-A729 VanDerWaalsContact O-N 3.11Å; A729-V732 PolarHBondContact O-N 2.9Å; A729-V733 VanDerWaalsContact O-CG2 3.29Å; A729-V733 WeakPolarHBondContact O-CG2 3.26Å; A729-V733 PolarHBondContact O-N 2.87Å; A729-L770 HydrophobicContact CB-CD2 4.35Å
730M96.3Very high96.1Very high98 Ų9850.7 Ų50.748%0.48328%0.276SS..Hα-helixtrans-59.3-47.7173.9-69.3-63.5-65.300111.2S726 D727 V732 V733 D734S726-M730 WeakPolarHBondContact O-CG 3.08Å; S726-M730 PolarHBondContact O-N 2.96Å; D727-M730 PolarHBondContact O-N 3.11Å; M730-V732 VanDerWaalsContact C-N 3.34Å; M730-V732 PolarHBondContact O-N 3.08Å; M730-V733 PolarHBondContact O-N 2.92Å; M730-V733 VanDerWaalsContact O-N 3.13Å; M730-D734 PolarHBondContact O-N 2.79Å
731A97.4Very high96.2Very high38 Ų3853.6 Ų53.631%0.31428%0.282SS..Hα-helixtrans-58.7-42.9177.500000112.5D727 F728 D734 N735D727-A731 WeakPolarHBondContact O-CB 3.38Å; D727-A731 PolarHBondContact O-N 3.43Å; F728-A731 PolarHBondContact O-N 3.31Å; A731-D734 PolarHBondContact O-N 3.4Å; A731-N735 WeakPolarHBondContact O-CB 3.36Å; A731-N735 PolarHBondContact O-N 2.73Å; A731-N735 PolarHBondContact O-ND2 3.01Å
732V98.1Very high96.2Very high0 Ų055.9 Ų55.90%030%0.296CS..Hα-helixtrans-63.9-42.7175.8175.10000111.4F700 L718 F728 A729 M730 N735 V736F700-V732 HydrophobicContact CB-CG1 4.01Å; F700-V732 HydrophobicContact CB-CG2 3.74Å; L718-V732 HydrophobicContact CD1-CB 4.31Å; L718-V732 HydrophobicContact CD1-CG2 4.19Å; L718-V732 HydrophobicContact CD2-CB 3.98Å; L718-V732 HydrophobicContact CD2-CG1 3.58Å; F728-V732 HydrophobicContact CD1-CG2 4.49Å; F728-V732 HydrophobicContact CE1-CG2 4.08Å; F728-V732 HydrophobicContact CZ-CG2 4.21Å; F728-V732 WeakPolarHBondContact O-CG2 3.37Å; F728-V732 PolarHBondContact O-N 3.11Å; F728-V732 VanDerWaalsContact O-N 3.11Å; A729-V732 PolarHBondContact O-N 2.9Å; M730-V732 VanDerWaalsContact C-N 3.34Å; M730-V732 PolarHBondContact O-N 3.08Å; V732-N735 PolarHBondContact O-N 3.43Å; V732-V736 HydrophobicContact CG1-CG2 4.4Å; V732-V736 VanDerWaalsContact O-CG2 3.26Å; V732-V736 WeakPolarHBondContact O-CG2 3.33Å; V732-V736 PolarHBondContact O-N 3.25Å
733V97.2Very high96Very high12 Ų1255.2 Ų55.27%0.07329%0.291CS..Hα-helixtrans-62.2-46.9178.3169.70000110.9A729 M730 N735 V736 I737 L765 L770 V771A729-V733 VanDerWaalsContact O-CG2 3.29Å; A729-V733 WeakPolarHBondContact O-CG2 3.26Å; A729-V733 PolarHBondContact O-N 2.87Å; M730-V733 PolarHBondContact O-N 2.92Å; M730-V733 VanDerWaalsContact O-N 3.13Å; V733-N735 VanDerWaalsContact C-N 3.34Å; V733-N735 PolarHBondContact O-N 3.09Å; V733-V736 PolarHBondContact O-N 2.88Å; V733-I737 HydrophobicContact CG1-CD1 3.85Å; V733-I737 WeakPolarHBondContact O-CG1 3.38Å; V733-I737 PolarHBondContact O-N 3.32Å; V733-L765 HydrophobicContact CG2-CD1 4.22Å; V733-L770 HydrophobicContact CG2-CB 4.45Å; V733-V771 HydrophobicContact CG1-CG2 3.7Å; V733-V771 HydrophobicContact CG2-CG2 4.11Å
734D97.9Very high95.9Very high91 Ų9150.3 Ų50.349%0.48726%0.261SS..Hα-helixtrans-60.9-44.6177.8-72.8-23.1000110.9M730 A731 V736 I737 E738M730-D734 PolarHBondContact O-N 2.79Å; A731-D734 PolarHBondContact O-N 3.4Å; D734-V736 VanDerWaalsContact C-N 3.32Å; D734-V736 PolarHBondContact O-N 2.92Å; D734-I737 PolarHBondContact O-N 3.43Å; D734-E738 WeakPolarHBondContact O-CB 3.43Å; D734-E738 PolarHBondContact O-N 3.32Å
735N98.3Very high95.7Very high69 Ų6948.5 Ų48.537%0.36926%0.257SS..Hα-helixtrans-61.1-37.7175.7-71.3-31000112.8T701 A731 V732 V733 D739T701-N735 HydrophobicContact CG2-CB 3.58Å; T701-N735 WeakPolarHBondContact OG1-CB 3.4Å; T701-N735 PolarHBondContact OG1-ND2 2.89Å; A731-N735 WeakPolarHBondContact O-CB 3.36Å; A731-N735 PolarHBondContact O-N 2.73Å; A731-N735 PolarHBondContact O-ND2 3.01Å; V732-N735 PolarHBondContact O-N 3.43Å; V733-N735 VanDerWaalsContact C-N 3.34Å; V733-N735 PolarHBondContact O-N 3.09Å; N735-D739 WeakPolarHBondContact O-CB 3.44Å; N735-D739 PolarHBondContact O-N 2.71Å
736V98.2Very high95.6Very high0 Ų050.2 Ų50.20%027%0.268CS..Hα-helixtrans-68.5-40.6176.8168.90000111.2V732 V733 D734 D739 I740 Y761 L762 L765V732-V736 HydrophobicContact CG1-CG2 4.4Å; V732-V736 VanDerWaalsContact O-CG2 3.26Å; V732-V736 WeakPolarHBondContact O-CG2 3.33Å; V732-V736 PolarHBondContact O-N 3.25Å; V733-V736 PolarHBondContact O-N 2.88Å; D734-V736 VanDerWaalsContact C-N 3.32Å; D734-V736 PolarHBondContact O-N 2.92Å; V736-D739 PolarHBondContact O-N 3.34Å; V736-I740 HydrophobicContact CG1-CD1 4.17Å; V736-I740 VanDerWaalsContact O-CG1 3.31Å; V736-I740 WeakPolarHBondContact O-CG1 3.3Å; V736-I740 PolarHBondContact O-N 2.91Å; V736-I740 VanDerWaalsContact O-N 3.08Å; V736-Y761 HydrophobicContact CG1-CD1 4.25Å; V736-Y761 HydrophobicContact CG2-CD1 3.63Å; V736-Y761 HydrophobicContact CG2-CE1 3.66Å; V736-L762 HydrophobicContact CG1-CB 4.22Å; V736-L765 HydrophobicContact CG1-CD1 4.35Å; V736-L765 HydrophobicContact CG2-CD1 4.45Å
737I97.4Very high95.3Very high55 Ų5548.5 Ų48.528%0.28225%0.253SS..Hα-helixtrans-65.6-43.4177-66.4166.5000110.2V733 D734 I740 R741 L762 V775V733-I737 HydrophobicContact CG1-CD1 3.85Å; V733-I737 WeakPolarHBondContact O-CG1 3.38Å; V733-I737 PolarHBondContact O-N 3.32Å; D734-I737 PolarHBondContact O-N 3.43Å; I737-I740 PolarHBondContact O-N 2.78Å; I737-R741 PolarHBondContact O-N 3.3Å; I737-L762 HydrophobicContact CG1-CD1 4.11Å; I737-V775 HydrophobicContact CD1-CG1 3.69Å; I737-V775 HydrophobicContact CG1-CG1 4.41Å
738E97.4Very high95Very high109 Ų10945.7 Ų45.751%0.50924%0.237SC..Hα-helixtrans-61-42.9174.4-173.858.8-152.800111.2D734 I740 R741 V742D734-E738 WeakPolarHBondContact O-CB 3.43Å; D734-E738 PolarHBondContact O-N 3.32Å; E738-I740 VanDerWaalsContact C-N 3.33Å; E738-I740 PolarHBondContact O-N 2.86Å; E738-R741 CarbonylContact O-C 3.47Å; E738-R741 WeakPolarHBondContact O-CA 3.38Å; E738-R741 VanDerWaalsContact O-CB 3.31Å; E738-R741 WeakPolarHBondContact O-CB 3.49Å; E738-R741 PolarHBondContact O-N 3.44Å; E738-V742 HydrophobicContact CG-CG2 4.48Å; E738-V742 WeakPolarHBondContact O-CG2 3.25Å; E738-V742 PolarHBondContact O-N 3.17Å
739D96.8Very high94.6Very high22 Ų2249.8 Ų49.812%0.11827%0.265CS..Hα-helixtrans-63.7-38.7178.7-151.972.4000112.9N735 V736 R741 G743 R754 M758N735-D739 WeakPolarHBondContact O-CB 3.44Å; N735-D739 PolarHBondContact O-N 2.71Å; V736-D739 PolarHBondContact O-N 3.34Å; D739-R741 VanDerWaalsContact C-N 3.28Å; D739-R741 PolarHBondContact O-N 2.94Å; D739-G743 PolarHBondContact O-N 3.3Å; D739-R754 IonicContact OD1-CZ 3.44Å; D739-R754 IonicContact OD1-NE 2.75Å; D739-R754 IonicContact OD1-NH2 2.69Å; D739-R754 PolarHBondContact OD1-NH2 3.23Å; D739-R754 IonicContact OD2-CZ 3.99Å; D739-R754 IonicContact OD2-NE 3.08Å; D739-R754 PolarHBondContact OD2-NE 2.99Å; D739-R754 IonicContact OD2-NH2 3.36Å; D739-R754 PolarHBondContact OD2-NH2 2.95Å; D739-M758 HydrophobicContact CB-CE 3.95Å; D739-M758 HydrophobicContact CB-CG 4.4Å; D739-M758 WeakPolarHBondContact OD2-CG 3.29Å
740I97.1Very high94.3Very high10 Ų1054.5 Ų54.55%0.05130%0.298CS..Hα-helixtrans-64-39174.1-68.1165.9000109.9V736 I737 E738 G743 M744 M758 V759 L762 T779V736-I740 HydrophobicContact CG1-CD1 4.17Å; V736-I740 VanDerWaalsContact O-CG1 3.31Å; V736-I740 WeakPolarHBondContact O-CG1 3.3Å; V736-I740 PolarHBondContact O-N 2.91Å; V736-I740 VanDerWaalsContact O-N 3.08Å; I737-I740 PolarHBondContact O-N 2.78Å; E738-I740 VanDerWaalsContact C-N 3.33Å; E738-I740 PolarHBondContact O-N 2.86Å; I740-G743 PolarHBondContact O-N 3.42Å; I740-M744 HydrophobicContact CG2-CE 4.4Å; I740-M744 PolarHBondContact O-N 3.11Å; I740-M744 VanDerWaalsContact O-N 3.12Å; I740-M758 HydrophobicContact CD1-CB 4.42Å; I740-M758 HydrophobicContact CG1-CB 3.78Å; I740-V759 HydrophobicContact CD1-CG2 4.21Å; I740-V759 HydrophobicContact CG1-CG2 4.1Å; I740-V759 HydrophobicContact CG2-CG2 4.14Å; I740-L762 HydrophobicContact CD1-CB 3.81Å; I740-L762 HydrophobicContact CD1-CD2 3.68Å; I740-L762 HydrophobicContact CD1-CG 4.31Å; I740-T779 HydrophobicContact CG2-CG2 4.09Å
741R95.3Very high94.1Very high79 Ų7952.1 Ų52.130%0.29829%0.287SS..Hα-helixtrans-63.4-53.4176.7178.854177.5-136.2-13.8111.7I737 E738 D739 G743 M744 E745I737-R741 PolarHBondContact O-N 3.3Å; E738-R741 CarbonylContact O-C 3.47Å; E738-R741 WeakPolarHBondContact O-CA 3.38Å; E738-R741 VanDerWaalsContact O-CB 3.31Å; E738-R741 WeakPolarHBondContact O-CB 3.49Å; E738-R741 PolarHBondContact O-N 3.44Å; D739-R741 VanDerWaalsContact C-N 3.28Å; D739-R741 PolarHBondContact O-N 2.94Å; R741-G743 VanDerWaalsContact C-N 3.25Å; R741-G743 PolarHBondContact O-N 3.32Å; R741-M744 WeakPolarHBondContact O-CB 3.46Å; R741-M744 PolarHBondContact O-N 3.38Å; R741-E745 IonicContact CZ-OE1 2.68Å; R741-E745 IonicContact NE-OE1 3.65Å; R741-E745 PolarHBondContact NE-OE1 3.11Å; R741-E745 IonicContact NH2-OE1 3.84Å; R741-E745 PolarHBondContact O-N 3.28Å; R741-E745 VanDerWaalsContact O-N 3.14Å
742V95.2Very high93.9Very high49 Ų4952.2 Ų52.230%0.29728%0.282SS..Hα-helixtrans-58-39.5175.6173.80000111.1E738 M744 E745 L746E738-V742 HydrophobicContact CG-CG2 4.48Å; E738-V742 WeakPolarHBondContact O-CG2 3.25Å; E738-V742 PolarHBondContact O-N 3.17Å; V742-M744 VanDerWaalsContact C-N 3.26Å; V742-M744 PolarHBondContact O-N 2.86Å; V742-E745 PolarHBondContact O-N 3.49Å; V742-E745 VanDerWaalsContact O-N 3.1Å; V742-L746 HydrophobicContact CG1-CD1 3.8Å; V742-L746 HydrophobicContact CG1-CG 4.13Å; V742-L746 PolarHBondContact O-N 3.4Å
743G92.5Very high93.7Very high8 Ų857.9 Ų57.98%0.08231%0.309CS..Hα-helixtrans-63-28176.100000114D739 I740 R741 N747 R755D739-G743 PolarHBondContact O-N 3.3Å; I740-G743 PolarHBondContact O-N 3.42Å; R741-G743 VanDerWaalsContact C-N 3.25Å; R741-G743 PolarHBondContact O-N 3.32Å; G743-N747 PolarHBondContact O-N 3.05Å; G743-R755 VanDerWaalsContact O-CZ 3.26Å; G743-R755 PolarHBondContact O-NE 2.8Å; G743-R755 PolarHBondContact O-NH2 3.21Å
744M90.5Very high93.6Very high4 Ų460.8 Ų60.82%0.0232%0.319CS..Hα-helixtrans-76.8-37.5170.6-70.6-177.2-71.400112.3I740 R741 V742 S782 L783 F786 I798I740-M744 HydrophobicContact CG2-CE 4.4Å; I740-M744 PolarHBondContact O-N 3.11Å; I740-M744 VanDerWaalsContact O-N 3.12Å; R741-M744 WeakPolarHBondContact O-CB 3.46Å; R741-M744 PolarHBondContact O-N 3.38Å; V742-M744 VanDerWaalsContact C-N 3.26Å; V742-M744 PolarHBondContact O-N 2.86Å; M744-S782 WeakPolarHBondContact CE-OG 3.29Å; M744-L783 HydrophobicContact CG-CD2 4.03Å; M744-L783 HydrophobicContact SD-CD2 3.64Å; M744-L783 HydrophobicContact SD-CG 4.16Å; M744-F786 HydrophobicContact CB-CD1 4.13Å; M744-F786 HydrophobicContact CB-CE1 4.48Å; M744-F786 HydrophobicContact CE-CD1 4.46Å; M744-F786 HydrophobicContact SD-CD1 4.45Å; M744-I798 WeakPolarHBondContact O-CG2 3.33Å
745E91.2Very high93.6Very high93 Ų9357 Ų5744%0.43530%0.297SS..Hα-helixtrans-69.4-43-178.8-69.4174.6-174.100112.5R741 V742 F786R741-E745 IonicContact CZ-OE1 2.68Å; R741-E745 IonicContact NE-OE1 3.65Å; R741-E745 PolarHBondContact NE-OE1 3.11Å; R741-E745 IonicContact NH2-OE1 3.84Å; R741-E745 PolarHBondContact O-N 3.28Å; R741-E745 VanDerWaalsContact O-N 3.14Å; V742-E745 PolarHBondContact O-N 3.49Å; V742-E745 VanDerWaalsContact O-N 3.1Å; E745-F786 HydrophobicContact CG-CE1 3.59Å; E745-F786 HydrophobicContact CG-CZ 3.9Å
746L90.4Very high93.5Very high92 Ų9255 Ų5548%0.48229%0.287SS..Hα-helixtrans-74.9-37.4179.6-66.3178.5000113.1V742 L748 L751V742-L746 HydrophobicContact CG1-CD1 3.8Å; V742-L746 HydrophobicContact CG1-CG 4.13Å; V742-L746 PolarHBondContact O-N 3.4Å; L746-L748 HydrophobicContact CB-CD1 4.43Å; L746-L748 HydrophobicContact CB-CG 4.18Å; L746-L748 PolarHBondContact O-N 3.11Å; L746-L751 HydrophobicContact CD1-CD1 3.96Å
747N86.6Confident93.5Very high31 Ų3155.2 Ų55.217%0.16629%0.288CS..  trans45.631.8-177.4-159.731.8000116G743 R755 S803G743-N747 PolarHBondContact O-N 3.05Å; N747-R755 PolarHBondContact OD1-NH1 2.98Å; N747-R755 PolarHBondContact OD1-NH2 2.99Å; N747-S803 PolarHBondContact ND2-OG 3.5Å
748L88.5Confident93.5Very high81 Ų8152.6 Ų52.642%0.42427%0.274SS..  trans-80.3129.8-176.2-63.2175.9000112.3L746 S750 L751 N752L746-L748 HydrophobicContact CB-CD1 4.43Å; L746-L748 HydrophobicContact CB-CG 4.18Å; L746-L748 PolarHBondContact O-N 3.11Å; L748-S750 PolarHBondContact O-N 3.4Å; L748-L751 HydrophobicContact CB-CD1 4.27Å; L748-L751 HydrophobicContact CB-CG 4.23Å; L748-L751 HydrophobicContact CD1-CD1 4.16Å; L748-L751 PolarHBondContact O-N 3.15Å; L748-N752 PolarHBondContact O-OD1 3.08Å
749P87.8Confident93.5Very high100 Ų10047.4 Ų47.465%0.64925%0.25SS*.G310 helixtrans-57.8-33.3177.6-2734.8000114.3L751 N752P749-L751 PolarHBondContact O-N 3.06Å; P749-N752 VanDerWaalsContact O-CB 3.27Å; P749-N752 WeakPolarHBondContact O-CB 3.41Å; P749-N752 VanDerWaalsContact O-CG 3.3Å; P749-N752 PolarHBondContact O-N 3.49Å; P749-N752 VanDerWaalsContact O-N 3.15Å; P749-N752 PolarHBondContact O-ND2 3.45Å
750S91.2Very high93.6Very high103 Ų10348.4 Ų48.472%0.7225%0.253SS*.G310 helixtrans-62.7-22.1176.655.50000113.4L748L748-S750 PolarHBondContact O-N 3.4Å
751L92.3Very high93.6Very high48 Ų4848 Ų4825%0.25125%0.251SS..G310 helixtrans-100.24.3179.6-58.7-179.3000112.9L746 L748 P749 Q753 R754 R755L746-L751 HydrophobicContact CD1-CD1 3.96Å; L748-L751 HydrophobicContact CB-CD1 4.27Å; L748-L751 HydrophobicContact CB-CG 4.23Å; L748-L751 HydrophobicContact CD1-CD1 4.16Å; L748-L751 PolarHBondContact O-N 3.15Å; P749-L751 PolarHBondContact O-N 3.06Å; L751-Q753 VanDerWaalsContact C-N 3.31Å; L751-Q753 PolarHBondContact O-N 3Å; L751-R754 WeakPolarHBondContact O-CB 3.37Å; L751-R754 PolarHBondContact O-N 3.12Å; L751-R754 VanDerWaalsContact O-N 3.1Å; L751-R755 WeakPolarHBondContact O-CG 3.14Å; L751-R755 PolarHBondContact O-N 3.3Å
752N93.2Very high93.8Very high41 Ų4144.2 Ų44.222%0.21924%0.237CC..Hα-helixtrans-58.3-40.3-176.3-79.8-8.8000113.1L748 P749 R754 R755 I756 F805L748-N752 PolarHBondContact O-OD1 3.08Å; P749-N752 VanDerWaalsContact O-CB 3.27Å; P749-N752 WeakPolarHBondContact O-CB 3.41Å; P749-N752 VanDerWaalsContact O-CG 3.3Å; P749-N752 PolarHBondContact O-N 3.49Å; P749-N752 VanDerWaalsContact O-N 3.15Å; P749-N752 PolarHBondContact O-ND2 3.45Å; N752-R754 PolarHBondContact O-N 3.34Å; N752-R755 PolarHBondContact O-N 2.96Å; N752-R755 PolarHBondContact OD1-NH1 2.64Å; N752-R755 VanDerWaalsContact OD1-NH1 3.11Å; N752-I756 PolarHBondContact O-N 3.38Å; N752-F805 HydrophobicContact CB-CE1 3.94Å; N752-F805 HydrophobicContact CB-CE2 3.79Å; N752-F805 HydrophobicContact CB-CZ 3.38Å; N752-F805 WeakPolarHBondContact O-CZ 3.31Å; N752-F805 WeakPolarHBondContact OD1-CE1 3.13Å
753Q92.9Very high93.9Very high118 Ų11841.9 Ų41.955%0.55122%0.223SC*.Hα-helixtrans-61.5-44.7176.5-174.761.621.200111.7L751 I756 V757L751-Q753 VanDerWaalsContact C-N 3.31Å; L751-Q753 PolarHBondContact O-N 3Å; Q753-I756 PolarHBondContact O-N 3.47Å; Q753-V757 VanDerWaalsContact O-CG2 3.24Å; Q753-V757 WeakPolarHBondContact O-CG2 3.42Å; Q753-V757 PolarHBondContact O-N 3.03Å
754R95.7Very high94.1Very high74 Ų7442.4 Ų42.428%0.27922%0.224SC..Hα-helixtrans-60-46.6175.6169172.2174.1174.62.3111.1W704 D739 L751 N752 I756 V757 M758W704-R754 HydrophobicContact CB-CB 4.06Å; W704-R754 HydrophobicContact CB-CG 4.21Å; W704-R754 HydrophobicContact CD2-CB 4.39Å; W704-R754 HydrophobicContact CD2-CG 3.76Å; W704-R754 HydrophobicContact CE3-CG 3.52Å; W704-R754 HydrophobicContact CG-CB 4.16Å; W704-R754 HydrophobicContact CG-CG 4.05Å; W704-R754 HydrophobicContact CZ3-CG 4.15Å; W704-R754 VanDerWaalsContact CZ3-CZ 3.41Å; D739-R754 IonicContact OD1-CZ 3.44Å; D739-R754 IonicContact OD1-NE 2.75Å; D739-R754 IonicContact OD1-NH2 2.69Å; D739-R754 PolarHBondContact OD1-NH2 3.23Å; D739-R754 IonicContact OD2-CZ 3.99Å; D739-R754 IonicContact OD2-NE 3.08Å; D739-R754 PolarHBondContact OD2-NE 2.99Å; D739-R754 IonicContact OD2-NH2 3.36Å; D739-R754 PolarHBondContact OD2-NH2 2.95Å; L751-R754 WeakPolarHBondContact O-CB 3.37Å; L751-R754 PolarHBondContact O-N 3.12Å; L751-R754 VanDerWaalsContact O-N 3.1Å; N752-R754 PolarHBondContact O-N 3.34Å; R754-I756 PolarHBondContact O-N 3.38Å; R754-V757 PolarHBondContact O-N 3.34Å; R754-V757 VanDerWaalsContact O-N 3.16Å; R754-M758 HydrophobicContact CG-CG 4.29Å; R754-M758 WeakPolarHBondContact O-CG 2.89Å; R754-M758 PolarHBondContact O-N 3.37Å
755R96.7Very high94.5Very high11 Ų1142.2 Ų42.24%0.04222%0.223CC..Hα-helixtrans-59.2-45.7179.9-67.9167.772.3-174.616.8112.3G743 N747 L751 N752 V757 M758 V759 F805 L809G743-R755 VanDerWaalsContact O-CZ 3.26Å; G743-R755 PolarHBondContact O-NE 2.8Å; G743-R755 PolarHBondContact O-NH2 3.21Å; N747-R755 PolarHBondContact OD1-NH1 2.98Å; N747-R755 PolarHBondContact OD1-NH2 2.99Å; L751-R755 WeakPolarHBondContact O-CG 3.14Å; L751-R755 PolarHBondContact O-N 3.3Å; N752-R755 PolarHBondContact O-N 2.96Å; N752-R755 PolarHBondContact OD1-NH1 2.64Å; N752-R755 VanDerWaalsContact OD1-NH1 3.11Å; R755-V757 VanDerWaalsContact C-N 3.35Å; R755-M758 PolarHBondContact O-N 3.44Å; R755-V759 WeakPolarHBondContact O-CG2 3.45Å; R755-V759 PolarHBondContact O-N 2.92Å; R755-V759 VanDerWaalsContact O-N 3.13Å; R755-F805 HydrophobicContact CB-CE1 3.9Å; R755-L809 HydrophobicContact CB-CD2 4.1Å
756I97.1Very high94.7Very high28 Ų2838.9 Ų38.914%0.14421%0.206CC..Hα-helixtrans-61.9-45175.8-70.6165.2000110.5Y708 N752 Q753 R754 V759 K760 F805 T808 L809 T812Y708-I756 HydrophobicContact CE2-CG2 3.98Å; N752-I756 PolarHBondContact O-N 3.38Å; Q753-I756 PolarHBondContact O-N 3.47Å; R754-I756 PolarHBondContact O-N 3.38Å; I756-V759 PolarHBondContact O-N 3.11Å; I756-K760 WeakPolarHBondContact O-CB 3.44Å; I756-K760 PolarHBondContact O-N 3.32Å; I756-F805 HydrophobicContact CD1-CE2 3.79Å; I756-F805 HydrophobicContact CD1-CZ 3.47Å; I756-F805 VanDerWaalsContact CD1-CZ 3.47Å; I756-F805 HydrophobicContact CG1-CE1 4.17Å; I756-F805 HydrophobicContact CG1-CE2 4.21Å; I756-F805 HydrophobicContact CG1-CZ 3.48Å; I756-F805 VanDerWaalsContact CG1-CZ 3.48Å; I756-T808 HydrophobicContact CD1-CG2 4.31Å; I756-L809 HydrophobicContact CG1-CD2 4.01Å; I756-T812 HydrophobicContact CG2-CG2 4.21Å
757V97.8Very high94.9Very high3 Ų336.8 Ų36.82%0.01820%0.195CC..Hα-helixtrans-60.8-46.9179.6170.40000111.4A703 W704 Y708 I711 Q753 R754 R755 V759 K760 Y761A703-V757 VanDerWaalsContact C-CG1 3.49Å; A703-V757 HydrophobicContact CB-CG1 3.92Å; A703-V757 WeakPolarHBondContact O-CG1 3.42Å; W704-V757 HydrophobicContact CB-CB 4.3Å; W704-V757 HydrophobicContact CB-CG1 4.22Å; Y708-V757 HydrophobicContact CD2-CG2 3.77Å; Y708-V757 HydrophobicContact CE2-CG2 4.17Å; I711-V757 HydrophobicContact CD1-CB 4.34Å; I711-V757 HydrophobicContact CD1-CG1 3.69Å; I711-V757 HydrophobicContact CD1-CG2 4.18Å; I711-V757 HydrophobicContact CG1-CG1 4.33Å; Q753-V757 VanDerWaalsContact O-CG2 3.24Å; Q753-V757 WeakPolarHBondContact O-CG2 3.42Å; Q753-V757 PolarHBondContact O-N 3.03Å; R754-V757 PolarHBondContact O-N 3.34Å; R754-V757 VanDerWaalsContact O-N 3.16Å; R755-V757 VanDerWaalsContact C-N 3.35Å; V757-V759 PolarHBondContact O-N 3.36Å; V757-K760 PolarHBondContact O-N 3.11Å; V757-Y761 VanDerWaalsContact O-CB 3.31Å; V757-Y761 WeakPolarHBondContact O-CB 3.32Å; V757-Y761 PolarHBondContact O-N 3.01Å
758M97.6Very high95.4Very high0 Ų038.9 Ų38.90%020%0.202CC..Hα-helixtrans-65.7-41.2-178.1-65-42.6-126.700112.6T701 A703 W704 D739 I740 R754 R755 Y761 L762T701-M758 WeakPolarHBondContact O-CE 3.28Å; A703-M758 HydrophobicContact CB-SD 3.94Å; W704-M758 HydrophobicContact CE3-CE 3.38Å; W704-M758 HydrophobicContact CE3-CG 4.36Å; W704-M758 HydrophobicContact CE3-SD 3.82Å; W704-M758 HydrophobicContact CZ3-CE 3.23Å; W704-M758 HydrophobicContact CZ3-SD 4.28Å; D739-M758 HydrophobicContact CB-CE 3.95Å; D739-M758 HydrophobicContact CB-CG 4.4Å; D739-M758 WeakPolarHBondContact OD2-CG 3.29Å; I740-M758 HydrophobicContact CD1-CB 4.42Å; I740-M758 HydrophobicContact CG1-CB 3.78Å; R754-M758 HydrophobicContact CG-CG 4.29Å; R754-M758 WeakPolarHBondContact O-CG 2.89Å; R754-M758 PolarHBondContact O-N 3.37Å; R755-M758 PolarHBondContact O-N 3.44Å; M758-Y761 PolarHBondContact O-N 2.74Å; M758-L762 PolarHBondContact O-N 3.5Å
759V97.9Very high95.7Very high1 Ų140.6 Ų40.61%0.00622%0.219CC..Hα-helixtrans-65-42.5175.9173.20000111.2I740 R755 I756 V757 Y761 L762 G763 L809 L813I740-V759 HydrophobicContact CD1-CG2 4.21Å; I740-V759 HydrophobicContact CG1-CG2 4.1Å; I740-V759 HydrophobicContact CG2-CG2 4.14Å; R755-V759 WeakPolarHBondContact O-CG2 3.45Å; R755-V759 PolarHBondContact O-N 2.92Å; R755-V759 VanDerWaalsContact O-N 3.13Å; I756-V759 PolarHBondContact O-N 3.11Å; V757-V759 PolarHBondContact O-N 3.36Å; V759-Y761 VanDerWaalsContact C-N 3.32Å; V759-Y761 PolarHBondContact O-N 2.91Å; V759-L762 PolarHBondContact O-N 3.25Å; V759-G763 PolarHBondContact O-N 3.12Å; V759-G763 VanDerWaalsContact O-N 3.09Å; V759-L809 HydrophobicContact CB-CD2 4.43Å; V759-L809 WeakPolarHBondContact CG1-O 3.31Å; V759-L809 HydrophobicContact CG2-CB 4.37Å; V759-L809 HydrophobicContact CG2-CD2 4.03Å; V759-L813 HydrophobicContact CG1-CB 3.6Å; V759-L813 HydrophobicContact CG1-CD1 4.24Å; V759-L813 HydrophobicContact CG1-CD2 4.34Å; V759-L813 HydrophobicContact CG1-CG 4.27Å
760K97.7Very high96Very high43 Ų4337.5 Ų37.519%0.18720%0.197CC..Hα-helixtrans-60.9-41.5172.3174.9155.8-168.3164.60112Y708 I711 I756 V757 G763 L764 T812 T816Y708-K760 HydrophobicContact CE1-CD 4.12Å; Y708-K760 HydrophobicContact CE2-CD 3.8Å; Y708-K760 VanDerWaalsContact CZ-CD 3.46Å; Y708-K760 WeakPolarHBondContact OH-CD 3.5Å; Y708-K760 PolarHBondContact OH-NZ 3.38Å; I711-K760 HydrophobicContact CD1-CD 4.38Å; I711-K760 HydrophobicContact CD1-CG 4.47Å; I756-K760 WeakPolarHBondContact O-CB 3.44Å; I756-K760 PolarHBondContact O-N 3.32Å; V757-K760 PolarHBondContact O-N 3.11Å; K760-G763 PolarHBondContact O-N 2.98Å; K760-L764 HydrophobicContact CG-CD1 4Å; K760-L764 WeakPolarHBondContact O-CG 3.24Å; K760-L764 PolarHBondContact O-N 2.73Å; K760-T812 HydrophobicContact CB-CG2 3.89Å; K760-T816 HydrophobicContact CB-CG2 4.49Å; K760-T816 HydrophobicContact CD-CG2 4.34Å; K760-T816 HydrophobicContact CG-CG2 3.91Å
761Y98.4Very high96.2Very high0 Ų032.9 Ų32.90%017%0.165CC..Hα-helixtrans-63.5-45.8179.2-172.7-142.5000110.6F700 A703 I711 L714 A715 V736 V757 M758 V759 G763 L764 L765F700-Y761 WeakPolarHBondContact O-CE1 3.35Å; F700-Y761 PolarHBondContact O-OH 3.38Å; A703-Y761 HydrophobicContact CB-CD1 3.54Å; A703-Y761 HydrophobicContact CB-CD2 4.49Å; A703-Y761 HydrophobicContact CB-CE1 3.93Å; A703-Y761 HydrophobicContact CB-CG 3.85Å; I711-Y761 HydrophobicContact CG2-CD2 3.56Å; I711-Y761 HydrophobicContact CG2-CE2 4.44Å; I711-Y761 HydrophobicContact CG2-CG 4.01Å; L714-Y761 HydrophobicContact CB-CE2 4.29Å; L714-Y761 HydrophobicContact CD2-CE1 4.27Å; L714-Y761 HydrophobicContact CD2-CE2 3.97Å; L714-Y761 HydrophobicContact CG-CE2 4.14Å; A715-Y761 HydrophobicContact CB-CD2 4.26Å; A715-Y761 HydrophobicContact CB-CE2 3.85Å; V736-Y761 HydrophobicContact CG1-CD1 4.25Å; V736-Y761 HydrophobicContact CG2-CD1 3.63Å; V736-Y761 HydrophobicContact CG2-CE1 3.66Å; V757-Y761 VanDerWaalsContact O-CB 3.31Å; V757-Y761 WeakPolarHBondContact O-CB 3.32Å; V757-Y761 PolarHBondContact O-N 3.01Å; M758-Y761 PolarHBondContact O-N 2.74Å; V759-Y761 VanDerWaalsContact C-N 3.32Å; V759-Y761 PolarHBondContact O-N 2.91Å; Y761-G763 VanDerWaalsContact C-N 3.33Å; Y761-G763 PolarHBondContact O-N 3.41Å; Y761-L764 CarbonylContact O-C 3.48Å; Y761-L764 WeakPolarHBondContact O-CA 3.19Å; Y761-L764 WeakPolarHBondContact O-CB 3.32Å; Y761-L764 PolarHBondContact O-N 2.78Å; Y761-L765 HydrophobicContact CD1-CD1 4.36Å; Y761-L765 HydrophobicContact CD2-CD2 4.41Å; Y761-L765 HydrophobicContact CD2-CG 4.3Å; Y761-L765 HydrophobicContact CE1-CD1 4.31Å; Y761-L765 HydrophobicContact CE2-CD2 3.87Å; Y761-L765 HydrophobicContact CE2-CG 4.24Å; Y761-L765 VanDerWaalsContact O-CG 3.32Å; Y761-L765 WeakPolarHBondContact O-CG 3.03Å; Y761-L765 PolarHBondContact O-N 2.97Å
762L98.3Very high96.2Very high0 Ų036.6 Ų36.60%018%0.184CC..Hα-helixtrans-56.6-44.4173.7-178.167.1000112.6V736 I737 I740 M758 V759 L764 L765 Y766 V771 I776 T779V736-L762 HydrophobicContact CG1-CB 4.22Å; I737-L762 HydrophobicContact CG1-CD1 4.11Å; I740-L762 HydrophobicContact CD1-CB 3.81Å; I740-L762 HydrophobicContact CD1-CD2 3.68Å; I740-L762 HydrophobicContact CD1-CG 4.31Å; M758-L762 PolarHBondContact O-N 3.5Å; V759-L762 PolarHBondContact O-N 3.25Å; L762-L764 VanDerWaalsContact C-N 3.29Å; L762-L764 PolarHBondContact O-N 3.41Å; L762-L765 PolarHBondContact O-N 3.24Å; L762-Y766 PolarHBondContact O-N 3.19Å; L762-Y766 VanDerWaalsContact O-N 3.13Å; L762-V771 HydrophobicContact CD1-CG2 4.31Å; L762-I776 HydrophobicContact CD2-CD1 4.29Å; L762-I776 HydrophobicContact CG-CD1 3.91Å; L762-T779 HydrophobicContact CD2-CG2 3.75Å
763G97.5Very high96.2Very high0 Ų035.1 Ų35.10%018%0.178CC..Hα-helixtrans-60.6-38.1174.700000112.8V759 K760 Y761 Y766 N767V759-G763 PolarHBondContact O-N 3.12Å; V759-G763 VanDerWaalsContact O-N 3.09Å; K760-G763 PolarHBondContact O-N 2.98Å; Y761-G763 VanDerWaalsContact C-N 3.33Å; Y761-G763 PolarHBondContact O-N 3.41Å; G763-Y766 WeakPolarHBondContact O-CB 3.42Å; G763-Y766 PolarHBondContact O-N 2.81Å; G763-N767 VanDerWaalsContact O-CG 3.32Å; G763-N767 PolarHBondContact O-N 3.46Å; G763-N767 PolarHBondContact O-OD1 3.48Å
764L97.9Very high96.3Very high20 Ų2032.8 Ų32.811%0.10517%0.173CC..Hα-helixtrans-69.9-37.4174.1-68.5164.8000112.3I711 N712 A715 K760 Y761 L762 Y766 N767 Y768I711-L764 HydrophobicContact CB-CD1 4.03Å; I711-L764 HydrophobicContact CG2-CD1 3.68Å; N712-L764 HydrophobicContact CB-CD1 4.12Å; N712-L764 HydrophobicContact CB-CD2 4Å; A715-L764 HydrophobicContact CB-CB 4Å; K760-L764 HydrophobicContact CG-CD1 4Å; K760-L764 WeakPolarHBondContact O-CG 3.24Å; K760-L764 PolarHBondContact O-N 2.73Å; Y761-L764 CarbonylContact O-C 3.48Å; Y761-L764 WeakPolarHBondContact O-CA 3.19Å; Y761-L764 WeakPolarHBondContact O-CB 3.32Å; Y761-L764 PolarHBondContact O-N 2.78Å; L762-L764 VanDerWaalsContact C-N 3.29Å; L762-L764 PolarHBondContact O-N 3.41Å; L764-Y766 PolarHBondContact O-N 3.47Å; L764-N767 WeakPolarHBondContact O-CB 3.46Å; L764-N767 PolarHBondContact O-N 3.06Å; L764-Y768 VanDerWaalsContact O-CD2 3.25Å; L764-Y768 WeakPolarHBondContact O-CD2 3.33Å; L764-Y768 PolarHBondContact O-N 2.99Å
765L97.9Very high96.3Very high0 Ų031.3 Ų31.30%017%0.172CC..Hα-helixtrans-60.4-35.6175.5-65.6174.4000111.6A715 L718 V733 V736 Y761 L762 Y768 C769 L770 V771A715-L765 HydrophobicContact CB-CD2 4.22Å; L718-L765 HydrophobicContact CD2-CD2 3.74Å; V733-L765 HydrophobicContact CG2-CD1 4.22Å; V736-L765 HydrophobicContact CG1-CD1 4.35Å; V736-L765 HydrophobicContact CG2-CD1 4.45Å; Y761-L765 HydrophobicContact CD1-CD1 4.36Å; Y761-L765 HydrophobicContact CD2-CD2 4.41Å; Y761-L765 HydrophobicContact CD2-CG 4.3Å; Y761-L765 HydrophobicContact CE1-CD1 4.31Å; Y761-L765 HydrophobicContact CE2-CD2 3.87Å; Y761-L765 HydrophobicContact CE2-CG 4.24Å; Y761-L765 VanDerWaalsContact O-CG 3.32Å; Y761-L765 WeakPolarHBondContact O-CG 3.03Å; Y761-L765 PolarHBondContact O-N 2.97Å; L762-L765 PolarHBondContact O-N 3.24Å; L765-Y768 PolarHBondContact O-N 3.22Å; L765-C769 PolarHBondContact O-N 3.41Å; L765-L770 HydrophobicContact CB-CB 4.34Å; L765-L770 HydrophobicContact CD2-CD1 3.55Å; L765-L770 WeakPolarHBondContact O-CB 3.45Å; L765-L770 PolarHBondContact O-N 2.98Å; L765-V771 HydrophobicContact CB-CG2 3.9Å
766Y96.5Very high96.3Very high23 Ų2330.8 Ų30.89%0.0917%0.17CC..Hα-helixtrans-63.3-47.5169.8177.4-100.9000112.4L762 G763 L764 Y768 C769 V771 I776 F820 F821 K826L762-Y766 PolarHBondContact O-N 3.19Å; L762-Y766 VanDerWaalsContact O-N 3.13Å; G763-Y766 WeakPolarHBondContact O-CB 3.42Å; G763-Y766 PolarHBondContact O-N 2.81Å; L764-Y766 PolarHBondContact O-N 3.47Å; Y766-Y768 PolarHBondContact O-N 3.06Å; Y766-C769 PolarHBondContact O-N 3.03Å; Y766-V771 WeakPolarHBondContact CD2-O 3.32Å; Y766-I776 HydrophobicContact CD2-CG1 3.79Å; Y766-I776 HydrophobicContact CG-CD1 4.33Å; Y766-I776 HydrophobicContact CG-CG1 3.8Å; Y766-F820 HydrophobicContact CE1-CB 3.65Å; Y766-F820 HydrophobicContact CE1-CD2 4.32Å; Y766-F820 HydrophobicContact CE1-CG 4.1Å; Y766-F821 AromaticContact CE1-CE1 3.78Å; Y766-F821 HydrophobicContact CE1-CE1 3.78Å; Y766-F821 HydrophobicContact CE1-CZ 4.08Å; Y766-F821 HydrophobicContact CE2-CE1 4.36Å; Y766-F821 AromaticContact CZ-CE1 3.65Å; Y766-K826 PolarHBondContact OH-NZ 2.8Å; Y766-K826 VanDerWaalsContact OH-NZ 3.1Å
767N94.4Very high96.2Very high47 Ų4730.1 Ų30.125%0.25117%0.166SC..Hα-helixtrans-61.9-28.1179.6-64-5.3000113G763 L764 T816 F820G763-N767 VanDerWaalsContact O-CG 3.32Å; G763-N767 PolarHBondContact O-N 3.46Å; G763-N767 PolarHBondContact O-OD1 3.48Å; L764-N767 WeakPolarHBondContact O-CB 3.46Å; L764-N767 PolarHBondContact O-N 3.06Å; N767-T816 PolarHBondContact ND2-O 3.22Å; N767-T816 PolarHBondContact OD1-O 3.1Å; N767-F820 HydrophobicContact CB-CE2 4.14Å; N767-F820 HydrophobicContact CB-CZ 4.41Å; N767-F820 VanDerWaalsContact OD1-CD2 3.28Å; N767-F820 WeakPolarHBondContact OD1-CD2 3.47Å; N767-F820 WeakPolarHBondContact OD1-CE2 3.34Å
768Y95.4Very high96.2Very high75 Ų7537.4 Ų37.429%0.29420%0.197SC..THydrogen-bonded Turntrans-95.518.2175.1-73.2-76.9000113.9N712 A715 S719 L764 L765 Y766 L770N712-Y768 VanDerWaalsContact O-CE2 3.3Å; N712-Y768 WeakPolarHBondContact O-CE2 3.42Å; N712-Y768 PolarHBondContact O-OH 3.35Å; N712-Y768 VanDerWaalsContact O-OH 3.11Å; A715-Y768 HydrophobicContact CB-CD2 3.51Å; A715-Y768 HydrophobicContact CB-CE2 3.82Å; A715-Y768 HydrophobicContact CB-CG 4.42Å; S719-Y768 PolarHBondContact OG-O 3.2Å; L764-Y768 VanDerWaalsContact O-CD2 3.25Å; L764-Y768 WeakPolarHBondContact O-CD2 3.33Å; L764-Y768 PolarHBondContact O-N 2.99Å; L765-Y768 PolarHBondContact O-N 3.22Å; Y766-Y768 PolarHBondContact O-N 3.06Å; Y768-L770 VanDerWaalsContact C-N 3.26Å; Y768-L770 PolarHBondContact O-N 2.83Å
769C94.9Very high96.2Very high118 Ų11838 Ų3880%0.79720%0.201SC*.THydrogen-bonded Turntrans58.528.8173.9-56.20000115.3L765 Y766L765-C769 PolarHBondContact O-N 3.41Å; Y766-C769 PolarHBondContact O-N 3.03Å
770L95.2Very high96.1Very high34 Ų3437.9 Ų37.918%0.17820%0.2CC..SBendtrans-89.4-19.3172-70.8174.8000112.8L718 A722 A729 V733 L765 Y768L718-L770 HydrophobicContact CB-CD1 4.03Å; L718-L770 HydrophobicContact CD2-CD1 3.81Å; L718-L770 HydrophobicContact CG-CD1 3.76Å; A722-L770 HydrophobicContact CB-CD2 3.48Å; A722-L770 VanDerWaalsContact CB-CD2 3.48Å; A729-L770 HydrophobicContact CB-CD2 4.35Å; V733-L770 HydrophobicContact CG2-CB 4.45Å; L765-L770 HydrophobicContact CB-CB 4.34Å; L765-L770 HydrophobicContact CD2-CD1 3.55Å; L765-L770 WeakPolarHBondContact O-CB 3.45Å; L765-L770 PolarHBondContact O-N 2.98Å; Y768-L770 VanDerWaalsContact C-N 3.26Å; Y768-L770 PolarHBondContact O-N 2.83Å
771V94.2Very high96.1Very high7 Ų739.3 Ų39.34%0.04221%0.205CC..SBendtrans-131.5140.1-175.5176.10000108.7V733 L762 L765 Y766 V775 I776V733-V771 HydrophobicContact CG1-CG2 3.7Å; V733-V771 HydrophobicContact CG2-CG2 4.11Å; L762-V771 HydrophobicContact CD1-CG2 4.31Å; L765-V771 HydrophobicContact CB-CG2 3.9Å; Y766-V771 WeakPolarHBondContact CD2-O 3.32Å; V771-V775 HydrophobicContact CG1-CB 3.39Å; V771-V775 HydrophobicContact CG1-CG1 3.58Å; V771-V775 HydrophobicContact CG1-CG2 3.89Å; V771-I776 HydrophobicContact CG1-CD1 4.44Å
772D93.7Very high96Very high125 Ų12540.7 Ų40.767%0.66821%0.214SC*.  trans-88.2158.8175.6-74.9-41000112.8P774 V775D772-P774 VanDerWaalsContact C-N 3.33Å; D772-V775 WeakPolarHBondContact O-CB 3.31Å; D772-V775 PolarHBondContact O-N 3.4Å
773S92.5Very high95.8Very high11 Ų1140.7 Ų40.78%0.07721%0.214CC..Hα-helixtrans-52.3-38.1-179.4177.50000114.9V775 I776 F777S773-V775 PolarHBondContact O-N 2.89Å; S773-I776 PolarHBondContact O-N 3.37Å; S773-F777 VanDerWaalsContact O-CD2 3.3Å; S773-F777 WeakPolarHBondContact O-CD2 3.35Å; S773-F777 PolarHBondContact O-N 3.46Å; S773-F777 VanDerWaalsContact O-N 3.12Å; S773-F777 WeakPolarHBondContact OG-CD2 3.44Å; S773-F777 VanDerWaalsContact OG-CE2 3.28Å; S773-F777 WeakPolarHBondContact OG-CE2 3.47Å
774P94.7Very high95.6Very high69 Ų6941.1 Ų41.145%0.44822%0.217SC..Hα-helixtrans-57.8-33.5176.9-25.636.7000114.1D772 K778D772-P774 VanDerWaalsContact C-N 3.33Å; P774-K778 WeakPolarHBondContact O-CB 3.4Å; P774-K778 VanDerWaalsContact O-CG 3.27Å; P774-K778 WeakPolarHBondContact O-CG 3.26Å; P774-K778 PolarHBondContact O-N 3.44Å
775V96Very high95.3Very high43 Ų4344 Ų4426%0.26124%0.235SC..Hα-helixtrans-68.4-45.7179.3178.80000110.1I737 V771 D772 S773 F777 K778 T779I737-V775 HydrophobicContact CD1-CG1 3.69Å; I737-V775 HydrophobicContact CG1-CG1 4.41Å; V771-V775 HydrophobicContact CG1-CB 3.39Å; V771-V775 HydrophobicContact CG1-CG1 3.58Å; V771-V775 HydrophobicContact CG1-CG2 3.89Å; D772-V775 WeakPolarHBondContact O-CB 3.31Å; D772-V775 PolarHBondContact O-N 3.4Å; S773-V775 PolarHBondContact O-N 2.89Å; V775-F777 PolarHBondContact O-N 3.5Å; V775-K778 PolarHBondContact O-N 3.22Å; V775-T779 PolarHBondContact O-N 2.77Å; V775-T779 PolarHBondContact O-OG1 3.32Å; V775-T779 VanDerWaalsContact O-OG1 3.11Å
776I96.5Very high95Very high0 Ų046 Ų460%024%0.244CC..Hα-helixtrans-59.7-46.2177-59-61.3000111.2L762 Y766 V771 S773 T779 L780 L813 F821L762-I776 HydrophobicContact CD2-CD1 4.29Å; L762-I776 HydrophobicContact CG-CD1 3.91Å; Y766-I776 HydrophobicContact CD2-CG1 3.79Å; Y766-I776 HydrophobicContact CG-CD1 4.33Å; Y766-I776 HydrophobicContact CG-CG1 3.8Å; V771-I776 HydrophobicContact CG1-CD1 4.44Å; S773-I776 PolarHBondContact O-N 3.37Å; I776-T779 PolarHBondContact O-N 3.46Å; I776-L780 HydrophobicContact CG2-CD1 4.08Å; I776-L780 HydrophobicContact CG2-CG 4.42Å; I776-L780 WeakPolarHBondContact O-CB 3.34Å; I776-L780 VanDerWaalsContact O-CG 3.32Å; I776-L780 WeakPolarHBondContact O-CG 3.36Å; I776-L780 PolarHBondContact O-N 2.89Å; I776-L813 HydrophobicContact CD1-CD1 4.25Å; I776-L813 HydrophobicContact CG2-CD1 4.49Å; I776-L813 HydrophobicContact CG2-CD2 4.31Å; I776-L813 HydrophobicContact CG2-CG 4.29Å; I776-F821 HydrophobicContact CB-CZ 4.1Å; I776-F821 HydrophobicContact CG2-CE2 3.9Å; I776-F821 HydrophobicContact CG2-CZ 3.74Å
777F95.9Very high94.4Very high13 Ų1346.4 Ų46.46%0.05726%0.256CS..Hα-helixtrans-63.9-41.2176-78.7-69.3000112.3S773 V775 T779 L780 Y781 F821 K829 L830S773-F777 VanDerWaalsContact O-CD2 3.3Å; S773-F777 WeakPolarHBondContact O-CD2 3.35Å; S773-F777 PolarHBondContact O-N 3.46Å; S773-F777 VanDerWaalsContact O-N 3.12Å; S773-F777 WeakPolarHBondContact OG-CD2 3.44Å; S773-F777 VanDerWaalsContact OG-CE2 3.28Å; S773-F777 WeakPolarHBondContact OG-CE2 3.47Å; V775-F777 PolarHBondContact O-N 3.5Å; F777-T779 VanDerWaalsContact C-N 3.34Å; F777-T779 PolarHBondContact O-N 3.1Å; F777-L780 HydrophobicContact CD1-CD1 4.28Å; F777-L780 PolarHBondContact O-N 3.31Å; F777-Y781 WeakPolarHBondContact O-CD2 3.35Å; F777-Y781 PolarHBondContact O-N 3.16Å; F777-F821 HydrophobicContact CE2-CD1 4.26Å; F777-F821 HydrophobicContact CE2-CE1 4.21Å; F777-F821 HydrophobicContact CE2-CG 4.44Å; F777-F821 HydrophobicContact CE2-CZ 4.35Å; F777-F821 HydrophobicContact CZ-CD1 4.44Å; F777-F821 HydrophobicContact CZ-CD2 4.11Å; F777-F821 HydrophobicContact CZ-CE2 4.37Å; F777-F821 HydrophobicContact CZ-CG 4.17Å; F777-K829 HydrophobicContact CD1-CB 4.44Å; F777-K829 HydrophobicContact CD2-CD 4.39Å; F777-K829 HydrophobicContact CE1-CB 3.91Å; F777-K829 HydrophobicContact CE2-CB 4.02Å; F777-K829 HydrophobicContact CE2-CD 4.34Å; F777-K829 HydrophobicContact CZ-CB 3.68Å; F777-L830 HydrophobicContact CE1-CB 4.35Å; F777-L830 HydrophobicContact CZ-CB 4.25Å
778K96.7Very high94.1Very high156 Ų15645.6 Ų45.668%0.67825%0.252SS*.Hα-helixtrans-59.8-43.1174.4-79.6177.3178.9-177.20111.8P774 V775 Y781 S782P774-K778 WeakPolarHBondContact O-CB 3.4Å; P774-K778 VanDerWaalsContact O-CG 3.27Å; P774-K778 WeakPolarHBondContact O-CG 3.26Å; P774-K778 PolarHBondContact O-N 3.44Å; V775-K778 PolarHBondContact O-N 3.22Å; K778-Y781 PolarHBondContact O-N 3.13Å; K778-S782 WeakPolarHBondContact O-CB 3.41Å; K778-S782 PolarHBondContact O-N 2.99Å
779T97.4Very high93.5Very high12 Ų1243.9 Ų43.97%0.07425%0.251CS..Hα-helixtrans-66.9-42.5177.2-550000111.8I740 L762 V775 I776 F777 Y781 S782 L783 L813I740-T779 HydrophobicContact CG2-CG2 4.09Å; L762-T779 HydrophobicContact CD2-CG2 3.75Å; V775-T779 PolarHBondContact O-N 2.77Å; V775-T779 PolarHBondContact O-OG1 3.32Å; V775-T779 VanDerWaalsContact O-OG1 3.11Å; I776-T779 PolarHBondContact O-N 3.46Å; F777-T779 VanDerWaalsContact C-N 3.34Å; F777-T779 PolarHBondContact O-N 3.1Å; T779-Y781 PolarHBondContact O-N 3.48Å; T779-S782 PolarHBondContact O-N 3.18Å; T779-S782 VanDerWaalsContact O-N 3.17Å; T779-L783 HydrophobicContact CG2-CD1 4.35Å; T779-L783 WeakPolarHBondContact O-CG 3.49Å; T779-L783 PolarHBondContact O-N 2.94Å; T779-L813 HydrophobicContact CG2-CD2 4.2Å
780L97.1Very high92.8Very high0 Ų041.3 Ų41.30%023%0.229CC..Hα-helixtrans-57.5-48.1173.9-78.1172.3000111.6I776 F777 L783 L784 I810 L813 L814 F833I776-L780 HydrophobicContact CG2-CD1 4.08Å; I776-L780 HydrophobicContact CG2-CG 4.42Å; I776-L780 WeakPolarHBondContact O-CB 3.34Å; I776-L780 VanDerWaalsContact O-CG 3.32Å; I776-L780 WeakPolarHBondContact O-CG 3.36Å; I776-L780 PolarHBondContact O-N 2.89Å; F777-L780 HydrophobicContact CD1-CD1 4.28Å; F777-L780 PolarHBondContact O-N 3.31Å; L780-L783 PolarHBondContact O-N 2.98Å; L780-L784 WeakPolarHBondContact O-CB 3.35Å; L780-L784 PolarHBondContact O-N 3.35Å; L780-I810 HydrophobicContact CD2-CG2 4.09Å; L780-L813 HydrophobicContact CD2-CB 4.16Å; L780-L813 HydrophobicContact CD2-CD2 3.76Å; L780-L813 HydrophobicContact CD2-CG 4.12Å; L780-L813 HydrophobicContact CG-CD2 3.82Å; L780-L813 HydrophobicContact CG-CG 4.43Å; L780-L814 HydrophobicContact CD1-CD2 3.94Å; L780-L814 HydrophobicContact CD2-CD2 4.14Å; L780-L814 HydrophobicContact CD2-CG 4.18Å; L780-F833 HydrophobicContact CB-CD2 4.08Å; L780-F833 HydrophobicContact CB-CE1 4.28Å; L780-F833 HydrophobicContact CB-CE2 3.6Å; L780-F833 HydrophobicContact CB-CZ 3.7Å; L780-F833 HydrophobicContact CD1-CD1 4.37Å; L780-F833 HydrophobicContact CD1-CE1 4.3Å; L780-F833 HydrophobicContact CD2-CE1 3.99Å; L780-F833 HydrophobicContact CD2-CZ 3.88Å; L780-F833 HydrophobicContact CG-CE1 4.43Å; L780-F833 HydrophobicContact CG-CZ 4.25Å; L780-F833 WeakPolarHBondContact O-CE2 3.27Å
781Y96.9Very high92Very high73 Ų7343.1 Ų43.129%0.28624%0.239SC..Hα-helixtrans-64.6-39.5174.4-82.1-69.6000111.9F777 K778 T779 L783 L784 T785 F833 Y836F777-Y781 WeakPolarHBondContact O-CD2 3.35Å; F777-Y781 PolarHBondContact O-N 3.16Å; K778-Y781 PolarHBondContact O-N 3.13Å; T779-Y781 PolarHBondContact O-N 3.48Å; Y781-L783 PolarHBondContact O-N 2.61Å; Y781-L784 CarbonylContact O-C 3.32Å; Y781-L784 WeakPolarHBondContact O-CB 3.32Å; Y781-L784 PolarHBondContact O-N 2.89Å; Y781-L784 VanDerWaalsContact O-N 3.13Å; Y781-T785 PolarHBondContact O-N 3.49Å; Y781-T785 PolarHBondContact O-OG1 2.89Å; Y781-F833 HydrophobicContact CD1-CD2 4.2Å; Y781-F833 HydrophobicContact CD2-CD2 4.38Å; Y781-F833 HydrophobicContact CE1-CD2 4.04Å; Y781-F833 HydrophobicContact CE2-CD2 4.21Å; Y781-F833 HydrophobicContact CG-CD2 4.36Å; Y781-Y836 HydrophobicContact CE1-CD2 4.14Å
782S95.7Very high91.1Very high28 Ų2847.7 Ų47.720%0.19626%0.263CS..Hα-helixtrans-62.2-43.9176.8-171.10000112M744 K778 T779 L784 T785 F786M744-S782 WeakPolarHBondContact CE-OG 3.29Å; K778-S782 WeakPolarHBondContact O-CB 3.41Å; K778-S782 PolarHBondContact O-N 2.99Å; T779-S782 PolarHBondContact O-N 3.18Å; T779-S782 VanDerWaalsContact O-N 3.17Å; S782-L784 PolarHBondContact O-N 3.39Å; S782-T785 PolarHBondContact O-N 3.47Å; S782-F786 WeakPolarHBondContact O-CB 3.08Å; S782-F786 PolarHBondContact O-N 3.13Å
783L95.7Very high90.3Very high0 Ų048.1 Ų48.10%027%0.265CS..Hα-helixtrans-58.2-36.2174.9-72.9166000111.5M744 T779 L780 Y781 R806 L809 I810 L813M744-L783 HydrophobicContact CG-CD2 4.03Å; M744-L783 HydrophobicContact SD-CD2 3.64Å; M744-L783 HydrophobicContact SD-CG 4.16Å; T779-L783 HydrophobicContact CG2-CD1 4.35Å; T779-L783 WeakPolarHBondContact O-CG 3.49Å; T779-L783 PolarHBondContact O-N 2.94Å; L780-L783 PolarHBondContact O-N 2.98Å; Y781-L783 PolarHBondContact O-N 2.61Å; L783-R806 WeakPolarHBondContact O-CD 3.29Å; L783-R806 PolarHBondContact O-NH1 2.95Å; L783-R806 VanDerWaalsContact O-NH1 3.09Å; L783-L809 HydrophobicContact CD1-CB 4.25Å; L783-L809 HydrophobicContact CD2-CB 3.97Å; L783-L809 HydrophobicContact CD2-CD1 3.77Å; L783-I810 HydrophobicContact CB-CD1 4.14Å; L783-I810 HydrophobicContact CB-CG1 3.77Å; L783-I810 HydrophobicContact CD1-CG1 4.02Å; L783-L813 HydrophobicContact CD1-CD2 4.47Å
784L93.3Very high89.6Confident9 Ų954.4 Ų54.45%0.04729%0.291CS..Hα-helixtrans-80.5-36.3-177.3-167.873.6000114.2L780 Y781 S782 V788 I810 F833 F837 Y840L780-L784 WeakPolarHBondContact O-CB 3.35Å; L780-L784 PolarHBondContact O-N 3.35Å; Y781-L784 CarbonylContact O-C 3.32Å; Y781-L784 WeakPolarHBondContact O-CB 3.32Å; Y781-L784 PolarHBondContact O-N 2.89Å; Y781-L784 VanDerWaalsContact O-N 3.13Å; S782-L784 PolarHBondContact O-N 3.39Å; L784-V788 VanDerWaalsContact O-CG2 3.26Å; L784-V788 WeakPolarHBondContact O-CG2 3.38Å; L784-I810 HydrophobicContact CB-CD1 4.45Å; L784-I810 HydrophobicContact CD1-CD1 4.08Å; L784-F833 HydrophobicContact CB-CE2 4.38Å; L784-F833 HydrophobicContact CD2-CE2 4.01Å; L784-F837 HydrophobicContact CD1-CD2 4.02Å; L784-Y840 HydrophobicContact CD1-CD1 3.86Å; L784-Y840 HydrophobicContact CD1-CD2 4.35Å; L784-Y840 HydrophobicContact CD1-CG 3.59Å
785T91.1Very high88.8Confident81 Ų8155.2 Ų55.250%0.49730%0.296SS..Hα-helixtrans-116.1-21.9-168.265.70000114Y781 S782 G787 V788Y781-T785 PolarHBondContact O-N 3.49Å; Y781-T785 PolarHBondContact O-OG1 2.89Å; S782-T785 PolarHBondContact O-N 3.47Å; T785-G787 PolarHBondContact O-N 3.37Å; T785-V788 PolarHBondContact O-N 2.89Å; T785-V788 VanDerWaalsContact O-N 3.08Å
786F91.8Very high88.1Confident42 Ų4254.1 Ų54.118%0.18429%0.29CS..THydrogen-bonded Turntrans-66.9113.4-173.4176.4-118.4000111.7M744 E745 S782 V788 I798 R806M744-F786 HydrophobicContact CB-CD1 4.13Å; M744-F786 HydrophobicContact CB-CE1 4.48Å; M744-F786 HydrophobicContact CE-CD1 4.46Å; M744-F786 HydrophobicContact SD-CD1 4.45Å; E745-F786 HydrophobicContact CG-CE1 3.59Å; E745-F786 HydrophobicContact CG-CZ 3.9Å; S782-F786 WeakPolarHBondContact O-CB 3.08Å; S782-F786 PolarHBondContact O-N 3.13Å; F786-V788 PolarHBondContact O-N 2.95Å; F786-I798 HydrophobicContact CE1-CD1 4.33Å; F786-I798 HydrophobicContact CE1-CG2 4.46Å; F786-I798 HydrophobicContact CZ-CD1 4.22Å; F786-R806 PolarHBondContact O-NH1 2.89Å; F786-R806 PolarHBondContact O-NH2 3.49Å
787G84.5Confident87.4Confident32 Ų3262 Ų6233%0.3333%0.331SS..THydrogen-bonded Turntrans64.614.9-176.500000113.4T785 S796T785-G787 PolarHBondContact O-N 3.37Å; G787-S796 WeakPolarHBondContact O-CB 3.08Å; G787-S796 PolarHBondContact O-OG 2.97Å
788V86.3Confident86.8Confident29 Ų2963.7 Ų63.718%0.17634%0.34CS..  trans-88.9124.9179.8178.10000109.7L784 T785 F786 L790 D799 R806 Y840L784-V788 VanDerWaalsContact O-CG2 3.26Å; L784-V788 WeakPolarHBondContact O-CG2 3.38Å; T785-V788 PolarHBondContact O-N 2.89Å; T785-V788 VanDerWaalsContact O-N 3.08Å; F786-V788 PolarHBondContact O-N 2.95Å; V788-L790 HydrophobicContact CG1-CD2 4.47Å; V788-D799 HydrophobicContact CG2-CB 4.11Å; V788-R806 VanDerWaalsContact CG2-NH1 3.26Å; V788-Y840 HydrophobicContact CG1-CD2 3.89Å; V788-Y840 HydrophobicContact CG1-CE2 3.65Å; V788-Y840 HydrophobicContact CG2-CE2 4.05Å
789S83.3Confident86.3Confident39 Ų3956.6 Ų56.627%0.27331%0.31SS..  trans-101.3129.9168.1-178.20000109D791 F794 F843S789-D791 VanDerWaalsContact C-N 3.28Å; S789-D791 PolarHBondContact OG-N 3.39Å; S789-F794 WeakPolarHBondContact CB-O 3.28Å; S789-F794 PolarHBondContact OG-O 2.99Å; S789-F843 VanDerWaalsContact O-CE1 3.27Å; S789-F843 WeakPolarHBondContact O-CE1 3.49Å; S789-F843 WeakPolarHBondContact O-CZ 3.4Å
790L79.6Confident85.8Confident65 Ų6557.8 Ų57.834%0.3432%0.317SS..  trans-92.77.2171.7-64.2174.1000111.8V788 F843V788-L790 HydrophobicContact CG1-CD2 4.47Å; L790-F843 HydrophobicContact CD2-CB 3.97Å; L790-F843 HydrophobicContact CD2-CD1 3.7Å; L790-F843 HydrophobicContact CD2-CD2 4.22Å; L790-F843 HydrophobicContact CD2-CE1 4.21Å; L790-F843 HydrophobicContact CD2-CG 3.69Å; L790-F843 WeakPolarHBondContact O-CE2 3.49Å
791D79.4Confident85Confident72 Ų7259.8 Ų59.839%0.38533%0.331SS..  trans-90.8129.1175.9-161.7-24.9000109.8S789 D793 F794S789-D791 VanDerWaalsContact C-N 3.28Å; S789-D791 PolarHBondContact OG-N 3.39Å; D791-D793 VanDerWaalsContact C-N 3.31Å; D791-D793 PolarHBondContact OD1-N 3.1Å; D791-F794 HydrophobicContact CB-CB 4.36Å; D791-F794 HydrophobicContact CB-CD2 4.45Å; D791-F794 WeakPolarHBondContact OD2-CD2 3.49Å
792L75.3Confident84.4Confident103 Ų10361.4 Ų61.454%0.53934%0.344SS..SBendtrans-69.4-32178.1-81.4142.1000111.6F794 F843 L847 P848L792-F794 VanDerWaalsContact C-N 3.34Å; L792-F843 HydrophobicContact CG-CE2 4.45Å; L792-L847 HydrophobicContact CD2-CD2 3.65Å; L792-L847 HydrophobicContact CG-CD2 4.46Å; L792-P848 HydrophobicContact CD2-CG 4.38Å
793D77.1Confident84.1Confident134 Ų13460.8 Ų60.872%0.71734%0.34SS*.SBendtrans-80.5-20.3-176.2-65-29.7000112D791 P795D791-D793 VanDerWaalsContact C-N 3.31Å; D791-D793 PolarHBondContact OD1-N 3.1Å; D793-P795 WeakPolarHBondContact O-CD 3.33Å
794F77.8Confident83.9Confident143 Ų14361.2 Ų61.263%0.62734%0.342SS*.SBendtrans-124.876.5-179.1-60.9-80000111S789 D791 L792S789-F794 WeakPolarHBondContact CB-O 3.28Å; S789-F794 PolarHBondContact OG-O 2.99Å; D791-F794 HydrophobicContact CB-CB 4.36Å; D791-F794 HydrophobicContact CB-CD2 4.45Å; D791-F794 WeakPolarHBondContact OD2-CD2 3.49Å; L792-F794 VanDerWaalsContact C-N 3.34Å
795P77.4Confident83.9Confident85 Ų8562.5 Ų62.555%0.55235%0.347SS*.  trans-65146.3178.127.5-34.5000111.4D793 P801D793-P795 WeakPolarHBondContact O-CD 3.33Å; P795-P801 HydrophobicContact CB-CG 4.29Å
796S81.4Confident84Confident20 Ų2058.6 Ų58.614%0.1432%0.323CS..  trans-78.4137.9176.9173.40000112.4G787 I798 D799 P800G787-S796 WeakPolarHBondContact O-CB 3.08Å; G787-S796 PolarHBondContact O-OG 2.97Å; S796-I798 PolarHBondContact OG-N 3.2Å; S796-D799 CarbonylContact O-C 3.57Å; S796-D799 PolarHBondContact OG-N 2.82Å; S796-P800 WeakPolarHBondContact O-CA 3.4Å
797I81.5Confident84.2Confident166 Ų16656.6 Ų56.685%0.85132%0.315SS*.SBendtrans-68.3-37.6170.6-58.4173.4000111.3
798I83.8Confident84.8Confident48 Ų4856.1 Ų56.125%0.24631%0.305CS..SBendtrans-86.9-20.3-175.6-50177.3000111.2M744 F786 S796 R806M744-I798 WeakPolarHBondContact O-CG2 3.33Å; F786-I798 HydrophobicContact CE1-CD1 4.33Å; F786-I798 HydrophobicContact CE1-CG2 4.46Å; F786-I798 HydrophobicContact CZ-CD1 4.22Å; S796-I798 PolarHBondContact OG-N 3.2Å; I798-R806 PolarHBondContact O-NH2 3.17Å
799D86.9Confident85.3Confident8 Ų854.9 Ų54.94%0.04330%0.297CS..SBendtrans-132.368.4174.8-169.733.1000111.6V788 S796 R806 Y840 K844V788-D799 HydrophobicContact CG2-CB 4.11Å; S796-D799 CarbonylContact O-C 3.57Å; S796-D799 PolarHBondContact OG-N 2.82Å; D799-R806 IonicContact OD1-NE 3.14Å; D799-Y840 VanDerWaalsContact CG-OH 3.31Å; D799-Y840 PolarHBondContact OD1-OH 2.88Å; D799-Y840 VanDerWaalsContact OD2-CE2 3.29Å; D799-Y840 WeakPolarHBondContact OD2-CE2 3.48Å; D799-Y840 PolarHBondContact OD2-OH 3.16Å; D799-K844 PolarHBondContact O-NZ 2.98Å; D799-K844 WeakPolarHBondContact OD1-CE 3.28Å; D799-K844 IonicContact OD1-NZ 2.77Å; D799-K844 PolarHBondContact OD1-NZ 2.79Å; D799-K844 VanDerWaalsContact OD2-CE 3.31Å; D799-K844 WeakPolarHBondContact OD2-CE 3.41Å; D799-K844 IonicContact OD2-NZ 3.08Å; D799-K844 PolarHBondContact OD2-NZ 3.48Å; D799-K844 VanDerWaalsContact OD2-NZ 3.08Å
800P85.1Confident86Confident36 Ų3653 Ų5323%0.23428%0.284CS..  trans-64.3155.2-17728.8-35.7000111.3S796 D802 S803 K844S796-P800 WeakPolarHBondContact O-CA 3.4Å; P800-D802 VanDerWaalsContact CB-OD1 3.32Å; P800-D802 WeakPolarHBondContact CB-OD1 3.27Å; P800-D802 WeakPolarHBondContact CG-OD1 3.46Å; P800-D802 PolarHBondContact O-N 2.91Å; P800-D802 VanDerWaalsContact O-N 3.07Å; P800-S803 WeakPolarHBondContact O-CB 3.38Å; P800-S803 PolarHBondContact O-N 3.36Å; P800-K844 PolarHBondContact O-NZ 3.45Å
801P81.9Confident86.8Confident43 Ų4349.9 Ų49.928%0.27927%0.268SS..THydrogen-bonded Turntrans-47.9-37.8-175.3-35.640.1000116P795 L847 I849 W850P795-P801 HydrophobicContact CB-CG 4.29Å; P801-L847 HydrophobicContact CB-CD1 3.74Å; P801-L847 HydrophobicContact CG-CD1 4.41Å; P801-I849 VanDerWaalsContact C-CD1 3.45Å; P801-I849 HydrophobicContact CB-CD1 3.64Å; P801-I849 HydrophobicContact CB-CG1 4.33Å; P801-I849 WeakPolarHBondContact O-CD1 3.37Å; P801-W850 PolarHBondContact O-NE1 3Å
802D84.4Confident87.6Confident107 Ų10746.7 Ų46.757%0.57225%0.251SS*.THydrogen-bonded Turntrans-79.2-20.6-178.264.3-34.2000113.8P800 L804 I849P800-D802 VanDerWaalsContact CB-OD1 3.32Å; P800-D802 WeakPolarHBondContact CB-OD1 3.27Å; P800-D802 WeakPolarHBondContact CG-OD1 3.46Å; P800-D802 PolarHBondContact O-N 2.91Å; P800-D802 VanDerWaalsContact O-N 3.07Å; D802-L804 PolarHBondContact O-N 2.78Å; D802-L804 VanDerWaalsContact O-N 3.17Å; D802-I849 HydrophobicContact CB-CD1 4.16Å
803S88.6Confident88.7Confident14 Ų1441.8 Ų41.810%0.09823%0.226CC..  trans-77100.2-179.8168.20000111.7N747 P800 K844N747-S803 PolarHBondContact ND2-OG 3.5Å; P800-S803 WeakPolarHBondContact O-CB 3.38Å; P800-S803 PolarHBondContact O-N 3.36Å; S803-K844 WeakPolarHBondContact O-CE 3.34Å; S803-K844 PolarHBondContact O-NZ 2.8Å
804L91Very high89.5Confident10 Ų1035.4 Ų35.45%0.05219%0.192CC..  trans-97.7-2.4177.6-58.2179000114D802 R806 I807 K844 W850 F923 P924 V927D802-L804 PolarHBondContact O-N 2.78Å; D802-L804 VanDerWaalsContact O-N 3.17Å; L804-R806 VanDerWaalsContact C-N 3.26Å; L804-R806 PolarHBondContact O-N 3.42Å; L804-R806 VanDerWaalsContact O-N 3.16Å; L804-I807 HydrophobicContact CB-CD1 4.36Å; L804-I807 HydrophobicContact CD2-CD1 4.27Å; L804-I807 VanDerWaalsContact O-CB 3.31Å; L804-I807 WeakPolarHBondContact O-CB 3.42Å; L804-I807 PolarHBondContact O-N 3.39Å; L804-K844 HydrophobicContact CD2-CB 3.92Å; L804-K844 HydrophobicContact CD2-CD 4.29Å; L804-K844 HydrophobicContact CD2-CG 4.25Å; L804-W850 HydrophobicContact CD1-CH2 3.96Å; L804-W850 HydrophobicContact CD1-CZ2 3.7Å; L804-W850 HydrophobicContact CD2-CZ2 4.08Å; L804-W850 HydrophobicContact CG-CH2 4.46Å; L804-W850 HydrophobicContact CG-CZ2 3.87Å; L804-F923 HydrophobicContact CD1-CD2 4.02Å; L804-F923 HydrophobicContact CD1-CE1 4.3Å; L804-F923 HydrophobicContact CD1-CE2 3.49Å; L804-F923 VanDerWaalsContact CD1-CE2 3.49Å; L804-F923 HydrophobicContact CD1-CZ 3.66Å; L804-F923 HydrophobicContact CD2-CE2 3.68Å; L804-F923 HydrophobicContact CD2-CZ 4.09Å; L804-F923 HydrophobicContact CG-CE2 4.25Å; L804-F923 HydrophobicContact CG-CZ 4.48Å; L804-P924 VanDerWaalsContact CD1-CD 3.45Å; L804-P924 HydrophobicContact CD1-CG 3.8Å; L804-V927 HydrophobicContact CB-CG1 4.34Å
805F93.5Very high90.3Very high35 Ų3534.2 Ų34.215%0.15419%0.188CC..Hα-helixtrans-64.7-25.9-167.3-163-109.5000114.3N752 R755 I756 I807 T808 L809N752-F805 HydrophobicContact CB-CE1 3.94Å; N752-F805 HydrophobicContact CB-CE2 3.79Å; N752-F805 HydrophobicContact CB-CZ 3.38Å; N752-F805 WeakPolarHBondContact O-CZ 3.31Å; N752-F805 WeakPolarHBondContact OD1-CE1 3.13Å; R755-F805 HydrophobicContact CB-CE1 3.9Å; I756-F805 HydrophobicContact CD1-CE2 3.79Å; I756-F805 HydrophobicContact CD1-CZ 3.47Å; I756-F805 VanDerWaalsContact CD1-CZ 3.47Å; I756-F805 HydrophobicContact CG1-CE1 4.17Å; I756-F805 HydrophobicContact CG1-CE2 4.21Å; I756-F805 HydrophobicContact CG1-CZ 3.48Å; I756-F805 VanDerWaalsContact CG1-CZ 3.48Å; F805-I807 PolarHBondContact O-N 2.75Å; F805-T808 HydrophobicContact CE2-CG2 4.49Å; F805-T808 WeakPolarHBondContact O-CB 3.43Å; F805-T808 PolarHBondContact O-N 3.41Å; F805-T808 VanDerWaalsContact O-N 3.1Å; F805-L809 HydrophobicContact CD1-CD1 4.07Å; F805-L809 HydrophobicContact CD1-CD2 4.19Å; F805-L809 HydrophobicContact CD1-CG 3.95Å; F805-L809 HydrophobicContact CE1-CD1 4.28Å; F805-L809 HydrophobicContact CE1-CD2 3.7Å; F805-L809 HydrophobicContact CE1-CG 4Å; F805-L809 HydrophobicContact CZ-CD2 4.39Å; F805-L809 WeakPolarHBondContact O-CG 3.48Å; F805-L809 PolarHBondContact O-N 3.22Å
806R94.2Very high91.1Very high0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-59.8-32.7174.4-69.4173.4178-133.511.7112.3L783 F786 V788 I798 D799 L804 L809 I810 Y840L783-R806 WeakPolarHBondContact O-CD 3.29Å; L783-R806 PolarHBondContact O-NH1 2.95Å; L783-R806 VanDerWaalsContact O-NH1 3.09Å; F786-R806 PolarHBondContact O-NH1 2.89Å; F786-R806 PolarHBondContact O-NH2 3.49Å; V788-R806 VanDerWaalsContact CG2-NH1 3.26Å; I798-R806 PolarHBondContact O-NH2 3.17Å; D799-R806 IonicContact OD1-NE 3.14Å; L804-R806 VanDerWaalsContact C-N 3.26Å; L804-R806 PolarHBondContact O-N 3.42Å; L804-R806 VanDerWaalsContact O-N 3.16Å; R806-L809 PolarHBondContact O-N 3.48Å; R806-I810 VanDerWaalsContact O-CG1 3.3Å; R806-I810 WeakPolarHBondContact O-CG1 3.37Å; R806-I810 PolarHBondContact O-N 3.44Å; R806-Y840 HydrophobicContact CB-CE1 4.34Å; R806-Y840 WeakPolarHBondContact CD-OH 3.39Å
807I95.9Very high91.5Very high0 Ų030 Ų300%016%0.16CC..Hα-helixtrans-61.4-48.9174.3-60.2166.4000109.3L804 F805 L809 I810 C811 F837 Y840 Y841 V927L804-I807 HydrophobicContact CB-CD1 4.36Å; L804-I807 HydrophobicContact CD2-CD1 4.27Å; L804-I807 VanDerWaalsContact O-CB 3.31Å; L804-I807 WeakPolarHBondContact O-CB 3.42Å; L804-I807 PolarHBondContact O-N 3.39Å; F805-I807 PolarHBondContact O-N 2.75Å; I807-L809 VanDerWaalsContact C-N 3.33Å; I807-L809 PolarHBondContact O-N 2.97Å; I807-I810 PolarHBondContact O-N 3.32Å; I807-C811 WeakPolarHBondContact O-CB 3.36Å; I807-C811 PolarHBondContact O-N 3.47Å; I807-C811 PolarHBondContact O-SG 2.99Å; I807-F837 HydrophobicContact CG2-CE2 4.38Å; I807-F837 HydrophobicContact CG2-CZ 4.07Å; I807-Y840 HydrophobicContact CG1-CD1 4.36Å; I807-Y840 HydrophobicContact CG1-CE1 3.94Å; I807-Y841 HydrophobicContact CD1-CD2 3.98Å; I807-V927 HydrophobicContact CB-CG1 4.02Å; I807-V927 HydrophobicContact CD1-CG1 3.98Å; I807-V927 HydrophobicContact CG2-CG1 3.84Å
808T96.1Very high91.7Very high21 Ų2122.1 Ų22.113%0.12912%0.12CC..Hα-helixtrans-60.8-39.9176.9-60.80000112.3I756 F805 C811 T812 Q930I756-T808 HydrophobicContact CD1-CG2 4.31Å; F805-T808 HydrophobicContact CE2-CG2 4.49Å; F805-T808 WeakPolarHBondContact O-CB 3.43Å; F805-T808 PolarHBondContact O-N 3.41Å; F805-T808 VanDerWaalsContact O-N 3.1Å; T808-C811 PolarHBondContact O-N 3.22Å; T808-T812 WeakPolarHBondContact O-CB 3.49Å; T808-T812 PolarHBondContact O-N 2.73Å; T808-T812 PolarHBondContact O-OG1 3.47Å; T808-Q930 PolarHBondContact OG1-OE1 3.12Å; T808-Q930 VanDerWaalsContact OG1-OE1 3.08Å
809L97.4Very high91.8Very high3 Ų322.7 Ų22.72%0.01613%0.128CC..Hα-helixtrans-64-46.7175.8-64.4-178.7000111.9R755 I756 V759 L783 F805 R806 I807 C811 T812 L813R755-L809 HydrophobicContact CB-CD2 4.1Å; I756-L809 HydrophobicContact CG1-CD2 4.01Å; V759-L809 HydrophobicContact CB-CD2 4.43Å; V759-L809 WeakPolarHBondContact CG1-O 3.31Å; V759-L809 HydrophobicContact CG2-CB 4.37Å; V759-L809 HydrophobicContact CG2-CD2 4.03Å; L783-L809 HydrophobicContact CD1-CB 4.25Å; L783-L809 HydrophobicContact CD2-CB 3.97Å; L783-L809 HydrophobicContact CD2-CD1 3.77Å; F805-L809 HydrophobicContact CD1-CD1 4.07Å; F805-L809 HydrophobicContact CD1-CD2 4.19Å; F805-L809 HydrophobicContact CD1-CG 3.95Å; F805-L809 HydrophobicContact CE1-CD1 4.28Å; F805-L809 HydrophobicContact CE1-CD2 3.7Å; F805-L809 HydrophobicContact CE1-CG 4Å; F805-L809 HydrophobicContact CZ-CD2 4.39Å; F805-L809 WeakPolarHBondContact O-CG 3.48Å; F805-L809 PolarHBondContact O-N 3.22Å; R806-L809 PolarHBondContact O-N 3.48Å; I807-L809 VanDerWaalsContact C-N 3.33Å; I807-L809 PolarHBondContact O-N 2.97Å; L809-C811 PolarHBondContact O-N 2.82Å; L809-T812 PolarHBondContact O-N 3.03Å; L809-L813 PolarHBondContact O-N 3.29Å
810I97.5Very high91.8Very high0 Ų027.4 Ų27.40%015%0.148CC..Hα-helixtrans-59.8-47176.3-69.2165.8000110.4L780 L783 L784 R806 I807 T812 L813 L814 F833 F837L780-I810 HydrophobicContact CD2-CG2 4.09Å; L783-I810 HydrophobicContact CB-CD1 4.14Å; L783-I810 HydrophobicContact CB-CG1 3.77Å; L783-I810 HydrophobicContact CD1-CG1 4.02Å; L784-I810 HydrophobicContact CB-CD1 4.45Å; L784-I810 HydrophobicContact CD1-CD1 4.08Å; R806-I810 VanDerWaalsContact O-CG1 3.3Å; R806-I810 WeakPolarHBondContact O-CG1 3.37Å; R806-I810 PolarHBondContact O-N 3.44Å; I807-I810 PolarHBondContact O-N 3.32Å; I810-T812 VanDerWaalsContact C-N 3.34Å; I810-T812 PolarHBondContact O-N 3.28Å; I810-L813 PolarHBondContact O-N 3.46Å; I810-L814 HydrophobicContact CG2-CD1 3.97Å; I810-L814 HydrophobicContact CG2-CG 4.39Å; I810-L814 WeakPolarHBondContact O-CG 3.44Å; I810-L814 PolarHBondContact O-N 2.92Å; I810-F833 HydrophobicContact CG2-CE1 4Å; I810-F833 HydrophobicContact CG2-CZ 3.94Å; I810-F837 HydrophobicContact CB-CE2 4.04Å; I810-F837 HydrophobicContact CB-CZ 4.11Å; I810-F837 HydrophobicContact CD1-CD2 3.84Å; I810-F837 HydrophobicContact CD1-CE2 3.7Å; I810-F837 HydrophobicContact CG1-CE2 4.48Å; I810-F837 HydrophobicContact CG2-CD1 4.19Å; I810-F837 HydrophobicContact CG2-CD2 4.05Å; I810-F837 HydrophobicContact CG2-CE1 3.89Å; I810-F837 HydrophobicContact CG2-CE2 3.76Å; I810-F837 HydrophobicContact CG2-CG 4.26Å; I810-F837 HydrophobicContact CG2-CZ 3.66Å
811C96.7Very high92Very high0 Ų025.7 Ų25.70%014%0.137CC..Hα-helixtrans-60.4-43.7178.3-63.40000111.4I807 T808 L809 L813 L814 E815 Q930 T934I807-C811 WeakPolarHBondContact O-CB 3.36Å; I807-C811 PolarHBondContact O-N 3.47Å; I807-C811 PolarHBondContact O-SG 2.99Å; T808-C811 PolarHBondContact O-N 3.22Å; L809-C811 PolarHBondContact O-N 2.82Å; C811-L813 VanDerWaalsContact C-N 3.33Å; C811-L813 PolarHBondContact O-N 3.15Å; C811-L814 PolarHBondContact O-N 3.07Å; C811-E815 WeakPolarHBondContact O-CB 3.39Å; C811-E815 PolarHBondContact O-N 3.43Å; C811-Q930 HydrophobicContact CB-CG 3.76Å; C811-T934 HydrophobicContact CB-CG2 4.36Å; C811-T934 WeakPolarHBondContact CB-OG1 3.33Å; C811-T934 PolarHBondContact SG-OG1 3.12Å
812T96.5Very high91.8Very high5 Ų526.6 Ų26.63%0.03114%0.14CC..Hα-helixtrans-60.3-41177.1-560000112.1I756 K760 T808 L809 I810 T816I756-T812 HydrophobicContact CG2-CG2 4.21Å; K760-T812 HydrophobicContact CB-CG2 3.89Å; T808-T812 WeakPolarHBondContact O-CB 3.49Å; T808-T812 PolarHBondContact O-N 2.73Å; T808-T812 PolarHBondContact O-OG1 3.47Å; L809-T812 PolarHBondContact O-N 3.03Å; I810-T812 VanDerWaalsContact C-N 3.34Å; I810-T812 PolarHBondContact O-N 3.28Å; T812-T816 WeakPolarHBondContact O-CG2 3.5Å; T812-T816 PolarHBondContact O-N 3.25Å; T812-T816 PolarHBondContact O-OG1 3.33Å
813L97.3Very high91.7Very high0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-69.3-40.1178.6-169.350.6000112V759 I776 T779 L780 L783 L809 I810 C811 T816 S817V759-L813 HydrophobicContact CG1-CB 3.6Å; V759-L813 HydrophobicContact CG1-CD1 4.24Å; V759-L813 HydrophobicContact CG1-CD2 4.34Å; V759-L813 HydrophobicContact CG1-CG 4.27Å; I776-L813 HydrophobicContact CD1-CD1 4.25Å; I776-L813 HydrophobicContact CG2-CD1 4.49Å; I776-L813 HydrophobicContact CG2-CD2 4.31Å; I776-L813 HydrophobicContact CG2-CG 4.29Å; T779-L813 HydrophobicContact CG2-CD2 4.2Å; L780-L813 HydrophobicContact CD2-CB 4.16Å; L780-L813 HydrophobicContact CD2-CD2 3.76Å; L780-L813 HydrophobicContact CD2-CG 4.12Å; L780-L813 HydrophobicContact CG-CD2 3.82Å; L780-L813 HydrophobicContact CG-CG 4.43Å; L783-L813 HydrophobicContact CD1-CD2 4.47Å; L809-L813 PolarHBondContact O-N 3.29Å; I810-L813 PolarHBondContact O-N 3.46Å; C811-L813 VanDerWaalsContact C-N 3.33Å; C811-L813 PolarHBondContact O-N 3.15Å; L813-T816 WeakPolarHBondContact CA-OG1 3.5Å; L813-T816 PolarHBondContact O-N 3.42Å; L813-T816 PolarHBondContact O-OG1 3.21Å; L813-S817 PolarHBondContact O-N 3.22Å; L813-S817 PolarHBondContact O-OG 3.22Å
814L95Very high91.5Very high0 Ų031.4 Ų31.40%017%0.172CC..Hα-helixtrans-70-40.4177.1-70.5178.4000112.1L780 I810 C811 T816 G818 L830 F833 L834 T934 F938L780-L814 HydrophobicContact CD1-CD2 3.94Å; L780-L814 HydrophobicContact CD2-CD2 4.14Å; L780-L814 HydrophobicContact CD2-CG 4.18Å; I810-L814 HydrophobicContact CG2-CD1 3.97Å; I810-L814 HydrophobicContact CG2-CG 4.39Å; I810-L814 WeakPolarHBondContact O-CG 3.44Å; I810-L814 PolarHBondContact O-N 2.92Å; C811-L814 PolarHBondContact O-N 3.07Å; L814-T816 PolarHBondContact O-N 3.39Å; L814-G818 WeakPolarHBondContact O-CA 3.33Å; L814-G818 PolarHBondContact O-N 3.23Å; L814-L830 HydrophobicContact CD2-CD1 3.83Å; L814-F833 HydrophobicContact CD1-CE1 4.3Å; L814-L834 HydrophobicContact CD1-CD2 4.26Å; L814-T934 HydrophobicContact CB-CG2 4Å; L814-T934 HydrophobicContact CD1-CG2 3.88Å; L814-F938 HydrophobicContact CB-CE2 3.87Å; L814-F938 HydrophobicContact CB-CZ 4.14Å; L814-F938 HydrophobicContact CD1-CE2 4.42Å
815E94.2Very high91.2Very high117 Ų11737.6 Ų37.655%0.54720%0.199SC..Hα-helixtrans-59.7-37.7175.7-171.6-170.2163.900111.2C811C811-E815 WeakPolarHBondContact O-CB 3.39Å; C811-E815 PolarHBondContact O-N 3.43Å
816T93.5Very high90.9Very high18 Ų1839.9 Ų39.911%0.1121%0.208CC..Hα-helixtrans-82.6-39.8-177.249.60000113.9K760 N767 T812 L813 L814K760-T816 HydrophobicContact CB-CG2 4.49Å; K760-T816 HydrophobicContact CD-CG2 4.34Å; K760-T816 HydrophobicContact CG-CG2 3.91Å; N767-T816 PolarHBondContact ND2-O 3.22Å; N767-T816 PolarHBondContact OD1-O 3.1Å; T812-T816 WeakPolarHBondContact O-CG2 3.5Å; T812-T816 PolarHBondContact O-N 3.25Å; T812-T816 PolarHBondContact O-OG1 3.33Å; L813-T816 WeakPolarHBondContact CA-OG1 3.5Å; L813-T816 PolarHBondContact O-N 3.42Å; L813-T816 PolarHBondContact O-OG1 3.21Å; L814-T816 PolarHBondContact O-N 3.39Å
817S91.2Very high90.6Very high0 Ų042.6 Ų42.60%022%0.218CC..Hα-helixtrans-114.8-13.6-172.465.20000114.9L813 S819 F820L813-S817 PolarHBondContact O-N 3.22Å; L813-S817 PolarHBondContact O-OG 3.22Å; S817-S819 PolarHBondContact O-N 3.1Å; S817-F820 PolarHBondContact O-N 3.46Å
818G85.7Confident90.2Very high0 Ų049.4 Ų49.40%024%0.244CC..G310 helixtrans-68.4-31.7-166.900000114.9L814 F820 F821 F938L814-G818 WeakPolarHBondContact O-CA 3.33Å; L814-G818 PolarHBondContact O-N 3.23Å; G818-F820 PolarHBondContact O-N 3.09Å; G818-F820 VanDerWaalsContact O-N 3.12Å; G818-F821 WeakPolarHBondContact O-CB 3.46Å; G818-F821 PolarHBondContact O-N 2.96Å; G818-F938 VanDerWaalsContact C-CE1 3.47Å
819S85.9Confident89.8Confident60 Ų6053.5 Ų53.542%0.4226%0.26SS..G310 helixtrans-60.7-21.7178.453.30000113.5S817 F821 D822S817-S819 PolarHBondContact O-N 3.1Å; S819-F821 VanDerWaalsContact C-N 3.29Å; S819-D822 VanDerWaalsContact O-OD2 3.13Å
820F86.6Confident89.5Confident106 Ų10653.4 Ų53.447%0.46526%0.26SS..G310 helixtrans-83.8-4176.7-65-82.7000113.4Y766 N767 S817 G818Y766-F820 HydrophobicContact CE1-CB 3.65Å; Y766-F820 HydrophobicContact CE1-CD2 4.32Å; Y766-F820 HydrophobicContact CE1-CG 4.1Å; N767-F820 HydrophobicContact CB-CE2 4.14Å; N767-F820 HydrophobicContact CB-CZ 4.41Å; N767-F820 VanDerWaalsContact OD1-CD2 3.28Å; N767-F820 WeakPolarHBondContact OD1-CD2 3.47Å; N767-F820 WeakPolarHBondContact OD1-CE2 3.34Å; S817-F820 PolarHBondContact O-N 3.46Å; G818-F820 PolarHBondContact O-N 3.09Å; G818-F820 VanDerWaalsContact O-N 3.12Å
821F88Confident89.1Confident0 Ų054.8 Ų54.80%027%0.267CS..G310 helixtrans-99.314.2176.8-54.5-35.3000112.8Y766 I776 F777 G818 S819 Q823 K826 R827 L830Y766-F821 AromaticContact CE1-CE1 3.78Å; Y766-F821 HydrophobicContact CE1-CE1 3.78Å; Y766-F821 HydrophobicContact CE1-CZ 4.08Å; Y766-F821 HydrophobicContact CE2-CE1 4.36Å; Y766-F821 AromaticContact CZ-CE1 3.65Å; I776-F821 HydrophobicContact CB-CZ 4.1Å; I776-F821 HydrophobicContact CG2-CE2 3.9Å; I776-F821 HydrophobicContact CG2-CZ 3.74Å; F777-F821 HydrophobicContact CE2-CD1 4.26Å; F777-F821 HydrophobicContact CE2-CE1 4.21Å; F777-F821 HydrophobicContact CE2-CG 4.44Å; F777-F821 HydrophobicContact CE2-CZ 4.35Å; F777-F821 HydrophobicContact CZ-CD1 4.44Å; F777-F821 HydrophobicContact CZ-CD2 4.11Å; F777-F821 HydrophobicContact CZ-CE2 4.37Å; F777-F821 HydrophobicContact CZ-CG 4.17Å; G818-F821 WeakPolarHBondContact O-CB 3.46Å; G818-F821 PolarHBondContact O-N 2.96Å; S819-F821 VanDerWaalsContact C-N 3.29Å; F821-Q823 VanDerWaalsContact C-N 3.26Å; F821-Q823 PolarHBondContact O-N 3.13Å; F821-K826 HydrophobicContact CB-CB 4.3Å; F821-K826 HydrophobicContact CD1-CB 4.12Å; F821-K826 HydrophobicContact CD1-CD 4Å; F821-R827 WeakPolarHBondContact O-CA 3.36Å; F821-R827 VanDerWaalsContact O-CB 3.31Å; F821-R827 WeakPolarHBondContact O-CB 3.38Å; F821-R827 PolarHBondContact O-N 3.5Å; F821-R827 VanDerWaalsContact O-N 3.1Å; F821-L830 HydrophobicContact CB-CB 4.25Å; F821-L830 HydrophobicContact CB-CD2 3.96Å
822D79.5Confident88.9Confident63 Ų6357.6 Ų57.634%0.33728%0.281SS..SBendtrans-72.8-12.9-172.4-75.7-21.3000114.9S819 R827S819-D822 VanDerWaalsContact O-OD2 3.13Å; D822-R827 VanDerWaalsContact C-NE 3.35Å; D822-R827 PolarHBondContact O-NE 3.08Å; D822-R827 PolarHBondContact O-NH2 3.36Å; D822-R827 IonicContact OD1-CZ 3.17Å; D822-R827 IonicContact OD1-NH2 3.86Å; D822-R827 PolarHBondContact OD1-NH2 3.37Å
823Q81.5Confident88.7Confident166 Ų16657.3 Ų57.378%0.77628%0.28SS*.SBendtrans-128.5151.7-172.2-60.6176.923.200113.9F821 R827F821-Q823 VanDerWaalsContact C-N 3.26Å; F821-Q823 PolarHBondContact O-N 3.13Å; Q823-R827 PolarHBondContact O-N 2.76Å
824G84.7Confident88.5Confident56 Ų5657.5 Ų57.558%0.57728%0.281SS*.Hα-helixtrans59.4-142.3167.700000115.7K826 R827 R828G824-K826 PolarHBondContact O-N 2.99Å; G824-R827 PolarHBondContact O-N 3.04Å; G824-R828 PolarHBondContact O-N 2.96Å
825K84.7Confident88.4Confident140 Ų14058.6 Ų58.661%0.60929%0.286SS*.Hα-helixtrans-57.9-31.7-178.6-62.1-179.2-175.9-179.70112.5K829 E1011K825-K829 PolarHBondContact O-N 3.37Å; K825-E1011 IonicContact NZ-OE1 3.97Å; K825-E1011 PolarHBondContact NZ-OE1 3.31Å
826K86.1Confident88.4Confident82 Ų8255.2 Ų55.236%0.35727%0.269SS..Hα-helixtrans-71.1-40.2179.9-63.1-179.3-175.2174.20111.8Y766 F821 G824 R828 K829 L830Y766-K826 PolarHBondContact OH-NZ 2.8Å; Y766-K826 VanDerWaalsContact OH-NZ 3.1Å; F821-K826 HydrophobicContact CB-CB 4.3Å; F821-K826 HydrophobicContact CD1-CB 4.12Å; F821-K826 HydrophobicContact CD1-CD 4Å; G824-K826 PolarHBondContact O-N 2.99Å; K826-R828 VanDerWaalsContact C-N 3.33Å; K826-R828 PolarHBondContact O-N 3.45Å; K826-K829 PolarHBondContact O-N 3.21Å; K826-L830 PolarHBondContact O-N 3.32Å
827R88.4Confident88.5Confident57 Ų5754.4 Ų54.422%0.21526%0.264CS..Hα-helixtrans-59.1-44.6173.4176.964.483.2138.80111.9F821 D822 Q823 G824 K829 L830 N831 R939F821-R827 WeakPolarHBondContact O-CA 3.36Å; F821-R827 VanDerWaalsContact O-CB 3.31Å; F821-R827 WeakPolarHBondContact O-CB 3.38Å; F821-R827 PolarHBondContact O-N 3.5Å; F821-R827 VanDerWaalsContact O-N 3.1Å; D822-R827 VanDerWaalsContact C-NE 3.35Å; D822-R827 PolarHBondContact O-NE 3.08Å; D822-R827 PolarHBondContact O-NH2 3.36Å; D822-R827 IonicContact OD1-CZ 3.17Å; D822-R827 IonicContact OD1-NH2 3.86Å; D822-R827 PolarHBondContact OD1-NH2 3.37Å; Q823-R827 PolarHBondContact O-N 2.76Å; G824-R827 PolarHBondContact O-N 3.04Å; R827-K829 PolarHBondContact O-N 2.83Å; R827-L830 PolarHBondContact O-N 3.49Å; R827-N831 VanDerWaalsContact O-CG 3.31Å; R827-N831 PolarHBondContact O-N 3.18Å; R827-N831 PolarHBondContact O-OD1 3.27Å; R827-R939 PolarHBondContact NH1-O 3.03Å
828R87Confident88.6Confident144 Ų14454.5 Ų54.554%0.54326%0.264SS..Hα-helixtrans-59.2-46176.2-65.5-178-178176.2-0.6111.3G824 K826 L830 N831 I832G824-R828 PolarHBondContact O-N 2.96Å; K826-R828 VanDerWaalsContact C-N 3.33Å; K826-R828 PolarHBondContact O-N 3.45Å; R828-L830 PolarHBondContact O-N 3.28Å; R828-N831 PolarHBondContact O-N 3.29Å; R828-I832 VanDerWaalsContact O-CG1 3.29Å; R828-I832 WeakPolarHBondContact O-CG1 3.47Å; R828-I832 PolarHBondContact O-N 2.9Å; R828-I832 VanDerWaalsContact O-N 3.11Å
829K89Confident89Confident107 Ų10757.3 Ų57.347%0.46528%0.275SS..Hα-helixtrans-61.8-41.2175.6-72.4-177.7178.3-176.10112.9F777 K825 K826 R827 I832 F833F777-K829 HydrophobicContact CD1-CB 4.44Å; F777-K829 HydrophobicContact CD2-CD 4.39Å; F777-K829 HydrophobicContact CE1-CB 3.91Å; F777-K829 HydrophobicContact CE2-CB 4.02Å; F777-K829 HydrophobicContact CE2-CD 4.34Å; F777-K829 HydrophobicContact CZ-CB 3.68Å; K825-K829 PolarHBondContact O-N 3.37Å; K826-K829 PolarHBondContact O-N 3.21Å; R827-K829 PolarHBondContact O-N 2.83Å; K829-I832 PolarHBondContact O-N 2.94Å; K829-F833 PolarHBondContact O-N 3.43Å
830L90.6Very high89.4Confident0 Ų054.6 Ų54.60%026%0.256CS..Hα-helixtrans-62.3-47.2176179.863000111.3F777 L814 F821 K826 R827 R828 I832 F833 L834 F938F777-L830 HydrophobicContact CE1-CB 4.35Å; F777-L830 HydrophobicContact CZ-CB 4.25Å; L814-L830 HydrophobicContact CD2-CD1 3.83Å; F821-L830 HydrophobicContact CB-CB 4.25Å; F821-L830 HydrophobicContact CB-CD2 3.96Å; K826-L830 PolarHBondContact O-N 3.32Å; R827-L830 PolarHBondContact O-N 3.49Å; R828-L830 PolarHBondContact O-N 3.28Å; L830-I832 VanDerWaalsContact C-N 3.29Å; L830-I832 PolarHBondContact O-N 3.18Å; L830-F833 WeakPolarHBondContact O-CB 3.38Å; L830-F833 PolarHBondContact O-N 3.04Å; L830-F833 VanDerWaalsContact O-N 3.11Å; L830-L834 HydrophobicContact CD1-CD2 4.5Å; L830-L834 HydrophobicContact CD1-CG 4.22Å; L830-L834 HydrophobicContact CG-CD1 4.17Å; L830-L834 HydrophobicContact CG-CG 4.32Å; L830-L834 WeakPolarHBondContact O-CG 3.46Å; L830-L834 PolarHBondContact O-N 3.03Å; L830-F938 HydrophobicContact CD2-CB 4.5Å; L830-F938 HydrophobicContact CD2-CD1 3.73Å; L830-F938 HydrophobicContact CD2-CE1 4.25Å; L830-F938 HydrophobicContact CD2-CG 4.11Å
831N90Very high89.7Confident29 Ų2949.6 Ų49.616%0.15523%0.233CC..Hα-helixtrans-57.7-42.7178-71.5-5000111.9R827 R828 L834 I835 V942R827-N831 VanDerWaalsContact O-CG 3.31Å; R827-N831 PolarHBondContact O-N 3.18Å; R827-N831 PolarHBondContact O-OD1 3.27Å; R828-N831 PolarHBondContact O-N 3.29Å; N831-L834 PolarHBondContact O-N 3.42Å; N831-I835 WeakPolarHBondContact O-CG1 3.25Å; N831-I835 PolarHBondContact O-N 3.17Å; N831-V942 HydrophobicContact CB-CG2 3.7Å
832I91.1Very high90Very high59 Ų5951.1 Ų51.130%0.30324%0.239SC..Hα-helixtrans-60.7-48.8174.5-67.9171.8000110.6R828 K829 L830 L834 I835 Y836 L958R828-I832 VanDerWaalsContact O-CG1 3.29Å; R828-I832 WeakPolarHBondContact O-CG1 3.47Å; R828-I832 PolarHBondContact O-N 2.9Å; R828-I832 VanDerWaalsContact O-N 3.11Å; K829-I832 PolarHBondContact O-N 2.94Å; L830-I832 VanDerWaalsContact C-N 3.29Å; L830-I832 PolarHBondContact O-N 3.18Å; I832-L834 VanDerWaalsContact C-N 3.33Å; I832-L834 PolarHBondContact O-N 3.21Å; I832-I835 WeakPolarHBondContact O-CB 3.4Å; I832-I835 PolarHBondContact O-N 3.35Å; I832-Y836 HydrophobicContact CG2-CD2 4.31Å; I832-Y836 HydrophobicContact CG2-CE2 4.04Å; I832-Y836 VanDerWaalsContact O-CD2 3.31Å; I832-Y836 WeakPolarHBondContact O-CD2 3.39Å; I832-Y836 PolarHBondContact O-N 2.87Å; I832-L958 HydrophobicContact CG1-CD1 4.06Å; I832-L958 HydrophobicContact CG2-CD2 4.01Å
833F93.1Very high90.6Very high0 Ų048.6 Ų48.60%023%0.225CC..Hα-helixtrans-59.2-43.6177.9173.1-98000112L780 Y781 L784 I810 L814 K829 L830 I835 Y836 F837L780-F833 HydrophobicContact CB-CD2 4.08Å; L780-F833 HydrophobicContact CB-CE1 4.28Å; L780-F833 HydrophobicContact CB-CE2 3.6Å; L780-F833 HydrophobicContact CB-CZ 3.7Å; L780-F833 HydrophobicContact CD1-CD1 4.37Å; L780-F833 HydrophobicContact CD1-CE1 4.3Å; L780-F833 HydrophobicContact CD2-CE1 3.99Å; L780-F833 HydrophobicContact CD2-CZ 3.88Å; L780-F833 HydrophobicContact CG-CE1 4.43Å; L780-F833 HydrophobicContact CG-CZ 4.25Å; L780-F833 WeakPolarHBondContact O-CE2 3.27Å; Y781-F833 HydrophobicContact CD1-CD2 4.2Å; Y781-F833 HydrophobicContact CD2-CD2 4.38Å; Y781-F833 HydrophobicContact CE1-CD2 4.04Å; Y781-F833 HydrophobicContact CE2-CD2 4.21Å; Y781-F833 HydrophobicContact CG-CD2 4.36Å; L784-F833 HydrophobicContact CB-CE2 4.38Å; L784-F833 HydrophobicContact CD2-CE2 4.01Å; I810-F833 HydrophobicContact CG2-CE1 4Å; I810-F833 HydrophobicContact CG2-CZ 3.94Å; L814-F833 HydrophobicContact CD1-CE1 4.3Å; K829-F833 PolarHBondContact O-N 3.43Å; L830-F833 WeakPolarHBondContact O-CB 3.38Å; L830-F833 PolarHBondContact O-N 3.04Å; L830-F833 VanDerWaalsContact O-N 3.11Å; F833-I835 VanDerWaalsContact C-N 3.26Å; F833-I835 PolarHBondContact O-N 3.16Å; F833-Y836 PolarHBondContact O-N 3.22Å; F833-Y836 VanDerWaalsContact O-N 3.07Å; F833-F837 HydrophobicContact CE1-CB 4.08Å; F833-F837 HydrophobicContact CE1-CG 4.41Å; F833-F837 HydrophobicContact CZ-CB 4.26Å; F833-F837 PolarHBondContact O-N 2.85Å
834L93.3Very high91Very high3 Ų340.7 Ų40.72%0.01619%0.189CC..Hα-helixtrans-60.1-34.8179.3-69.6176.4000112.2L814 L830 N831 I832 F837 Q838 L935 F938 V942L814-L834 HydrophobicContact CD1-CD2 4.26Å; L830-L834 HydrophobicContact CD1-CD2 4.5Å; L830-L834 HydrophobicContact CD1-CG 4.22Å; L830-L834 HydrophobicContact CG-CD1 4.17Å; L830-L834 HydrophobicContact CG-CG 4.32Å; L830-L834 WeakPolarHBondContact O-CG 3.46Å; L830-L834 PolarHBondContact O-N 3.03Å; N831-L834 PolarHBondContact O-N 3.42Å; I832-L834 VanDerWaalsContact C-N 3.33Å; I832-L834 PolarHBondContact O-N 3.21Å; L834-F837 HydrophobicContact CD2-CD1 4.43Å; L834-F837 PolarHBondContact O-N 3.23Å; L834-Q838 VanDerWaalsContact O-CG 3.27Å; L834-Q838 WeakPolarHBondContact O-CG 3.39Å; L834-Q838 PolarHBondContact O-N 2.84Å; L834-L935 HydrophobicContact CD2-CD1 4.3Å; L834-F938 HydrophobicContact CD1-CB 3.96Å; L834-V942 HydrophobicContact CB-CG1 4.35Å
835I92.3Very high91.3Very high23 Ų2341.3 Ų41.312%0.11817%0.173CC..Hα-helixtrans-61.2-46.2174-65.1169.9000110.8N831 I832 F833 Q838 R839 V942 L954 V955 L958N831-I835 WeakPolarHBondContact O-CG1 3.25Å; N831-I835 PolarHBondContact O-N 3.17Å; I832-I835 WeakPolarHBondContact O-CB 3.4Å; I832-I835 PolarHBondContact O-N 3.35Å; F833-I835 VanDerWaalsContact C-N 3.26Å; F833-I835 PolarHBondContact O-N 3.16Å; I835-Q838 PolarHBondContact O-N 3.42Å; I835-R839 PolarHBondContact O-N 3.04Å; I835-V942 HydrophobicContact CB-CG1 4.45Å; I835-V942 HydrophobicContact CD1-CG1 3.95Å; I835-V942 HydrophobicContact CG1-CG1 3.23Å; I835-L954 HydrophobicContact CG2-CB 3.86Å; I835-V955 HydrophobicContact CG2-CB 4.39Å; I835-V955 HydrophobicContact CG2-CG2 3.64Å; I835-L958 HydrophobicContact CB-CD2 4.1Å; I835-L958 HydrophobicContact CD1-CB 4.3Å; I835-L958 HydrophobicContact CD1-CD1 4.32Å; I835-L958 HydrophobicContact CD1-CD2 3.88Å; I835-L958 HydrophobicContact CD1-CG 4.4Å; I835-L958 HydrophobicContact CG2-CD2 4.03Å
836Y93.7Very high91.5Very high47 Ų4736.8 Ų36.818%0.18416%0.159CC..Hα-helixtrans-68.2-36.2177-72.1-72.5000112.6Y781 I832 F833 R839 Y840 V955 L958 E959Y781-Y836 HydrophobicContact CE1-CD2 4.14Å; I832-Y836 HydrophobicContact CG2-CD2 4.31Å; I832-Y836 HydrophobicContact CG2-CE2 4.04Å; I832-Y836 VanDerWaalsContact O-CD2 3.31Å; I832-Y836 WeakPolarHBondContact O-CD2 3.39Å; I832-Y836 PolarHBondContact O-N 2.87Å; F833-Y836 PolarHBondContact O-N 3.22Å; F833-Y836 VanDerWaalsContact O-N 3.07Å; Y836-R839 WeakPolarHBondContact O-CB 3.27Å; Y836-R839 PolarHBondContact O-N 3.42Å; Y836-Y840 PolarHBondContact O-N 2.99Å; Y836-Y840 VanDerWaalsContact O-N 3.14Å; Y836-V955 HydrophobicContact CD1-CG1 4.09Å; Y836-V955 HydrophobicContact CD1-CG2 4.04Å; Y836-V955 HydrophobicContact CE1-CG1 3.52Å; Y836-V955 HydrophobicContact CE1-CG2 4.27Å; Y836-L958 HydrophobicContact CD2-CD2 4.33Å; Y836-L958 HydrophobicContact CE2-CD2 3.74Å; Y836-E959 WeakPolarHBondContact OH-CG 3.39Å; Y836-E959 PolarHBondContact OH-OE1 3Å; Y836-E959 VanDerWaalsContact OH-OE1 3.04Å
837F95.1Very high91.5Very high1 Ų133.4 Ų33.40%0.00415%0.145CC..Hα-helixtrans-64.2-42.3176-177.5-139.7000112L784 I807 I810 F833 L834 R839 Y840 Y841 Y931L784-F837 HydrophobicContact CD1-CD2 4.02Å; I807-F837 HydrophobicContact CG2-CE2 4.38Å; I807-F837 HydrophobicContact CG2-CZ 4.07Å; I810-F837 HydrophobicContact CB-CE2 4.04Å; I810-F837 HydrophobicContact CB-CZ 4.11Å; I810-F837 HydrophobicContact CD1-CD2 3.84Å; I810-F837 HydrophobicContact CD1-CE2 3.7Å; I810-F837 HydrophobicContact CG1-CE2 4.48Å; I810-F837 HydrophobicContact CG2-CD1 4.19Å; I810-F837 HydrophobicContact CG2-CD2 4.05Å; I810-F837 HydrophobicContact CG2-CE1 3.89Å; I810-F837 HydrophobicContact CG2-CE2 3.76Å; I810-F837 HydrophobicContact CG2-CG 4.26Å; I810-F837 HydrophobicContact CG2-CZ 3.66Å; F833-F837 HydrophobicContact CE1-CB 4.08Å; F833-F837 HydrophobicContact CE1-CG 4.41Å; F833-F837 HydrophobicContact CZ-CB 4.26Å; F833-F837 PolarHBondContact O-N 2.85Å; L834-F837 HydrophobicContact CD2-CD1 4.43Å; L834-F837 PolarHBondContact O-N 3.23Å; F837-R839 VanDerWaalsContact C-N 3.3Å; F837-R839 PolarHBondContact O-N 3.48Å; F837-Y840 PolarHBondContact O-N 2.88Å; F837-Y841 PolarHBondContact O-N 3.37Å; F837-Y931 HydrophobicContact CD1-CD2 4.4Å; F837-Y931 HydrophobicContact CD1-CE2 4.06Å; F837-Y931 AromaticContact CE1-CD2 3.65Å; F837-Y931 HydrophobicContact CE1-CD2 3.65Å; F837-Y931 AromaticContact CE1-CE2 3.76Å; F837-Y931 HydrophobicContact CE1-CE2 3.76Å; F837-Y931 HydrophobicContact CE2-CD2 4.47Å; F837-Y931 AromaticContact CZ-CD2 3.7Å; F837-Y931 HydrophobicContact CZ-CD2 3.7Å; F837-Y931 HydrophobicContact CZ-CE2 4.07Å
838Q94.1Very high91.2Very high2 Ų234.9 Ų34.91%0.00916%0.162CC..Hα-helixtrans-57.3-43172.8-72-173.472.600111.6L834 I835 Y840 Y841 W842 Y931 L935 G943L834-Q838 VanDerWaalsContact O-CG 3.27Å; L834-Q838 WeakPolarHBondContact O-CG 3.39Å; L834-Q838 PolarHBondContact O-N 2.84Å; I835-Q838 PolarHBondContact O-N 3.42Å; Q838-Y840 PolarHBondContact O-N 2.83Å; Q838-Y841 PolarHBondContact O-N 3.02Å; Q838-W842 WeakPolarHBondContact O-CB 3.44Å; Q838-W842 PolarHBondContact O-N 3.11Å; Q838-Y931 WeakPolarHBondContact CG-OH 3.45Å; Q838-L935 HydrophobicContact CG-CD1 4.02Å; Q838-G943 PolarHBondContact NE2-O 3.46Å; Q838-G943 PolarHBondContact OE1-O 3.31Å
839R94Very high90.8Very high58 Ų5830 Ų3022%0.21915%0.146CC..Hα-helixtrans-60-43.9176.3-176-179.264.9-179.53.5112.1I835 Y836 F837 F843 F948 A951 V955I835-R839 PolarHBondContact O-N 3.04Å; Y836-R839 WeakPolarHBondContact O-CB 3.27Å; Y836-R839 PolarHBondContact O-N 3.42Å; F837-R839 VanDerWaalsContact C-N 3.3Å; F837-R839 PolarHBondContact O-N 3.48Å; R839-F843 WeakPolarHBondContact O-CB 3.34Å; R839-F843 PolarHBondContact O-N 3.23Å; R839-F948 HydrophobicContact CG-CE2 3.95Å; R839-A951 HydrophobicContact CB-CB 4.36Å; R839-V955 HydrophobicContact CB-CG2 3.93Å; R839-V955 HydrophobicContact CG-CG2 4.43Å
840Y93.8Very high90.5Very high4 Ų426 Ų262%0.01613%0.128CC..Hα-helixtrans-66.9-46.2179.4176.4-103.2000112.8L784 V788 D799 R806 I807 Y836 F837 Q838 W842 F843 K844L784-Y840 HydrophobicContact CD1-CD1 3.86Å; L784-Y840 HydrophobicContact CD1-CD2 4.35Å; L784-Y840 HydrophobicContact CD1-CG 3.59Å; V788-Y840 HydrophobicContact CG1-CD2 3.89Å; V788-Y840 HydrophobicContact CG1-CE2 3.65Å; V788-Y840 HydrophobicContact CG2-CE2 4.05Å; D799-Y840 VanDerWaalsContact CG-OH 3.31Å; D799-Y840 PolarHBondContact OD1-OH 2.88Å; D799-Y840 VanDerWaalsContact OD2-CE2 3.29Å; D799-Y840 WeakPolarHBondContact OD2-CE2 3.48Å; D799-Y840 PolarHBondContact OD2-OH 3.16Å; R806-Y840 HydrophobicContact CB-CE1 4.34Å; R806-Y840 WeakPolarHBondContact CD-OH 3.39Å; I807-Y840 HydrophobicContact CG1-CD1 4.36Å; I807-Y840 HydrophobicContact CG1-CE1 3.94Å; Y836-Y840 PolarHBondContact O-N 2.99Å; Y836-Y840 VanDerWaalsContact O-N 3.14Å; F837-Y840 PolarHBondContact O-N 2.88Å; Q838-Y840 PolarHBondContact O-N 2.83Å; Y840-W842 PolarHBondContact O-N 2.92Å; Y840-F843 WeakPolarHBondContact O-CB 3.42Å; Y840-F843 PolarHBondContact O-N 3.05Å; Y840-K844 HydrophobicContact CE1-CG 4.29Å; Y840-K844 HydrophobicContact CE2-CG 4.28Å; Y840-K844 PolarHBondContact O-N 3.35Å; Y840-K844 WeakPolarHBondContact OH-CE 3.3Å
841Y94.3Very high89.5Confident0 Ų029.3 Ų29.30%015%0.148CC..Hα-helixtrans-56.1-51.6176171.7-95.5000111I807 F837 Q838 F843 K844 R845 F923 E928 Y931I807-Y841 HydrophobicContact CD1-CD2 3.98Å; F837-Y841 PolarHBondContact O-N 3.37Å; Q838-Y841 PolarHBondContact O-N 3.02Å; Y841-F843 VanDerWaalsContact C-N 3.32Å; Y841-F843 PolarHBondContact O-N 3.43Å; Y841-K844 PolarHBondContact O-N 3.19Å; Y841-R845 HydrophobicContact CE1-CB 4.4Å; Y841-R845 WeakPolarHBondContact O-CB 3.38Å; Y841-R845 PolarHBondContact O-N 3.26Å; Y841-F923 HydrophobicContact CE2-CE1 4.12Å; Y841-F923 HydrophobicContact CE2-CZ 4.04Å; Y841-E928 WeakPolarHBondContact OH-CG 3.35Å; Y841-E928 PolarHBondContact OH-OE1 2.85Å; Y841-Y931 VanDerWaalsContact CB-CE2 3.5Å; Y841-Y931 AromaticContact CD1-CD1 3.85Å; Y841-Y931 HydrophobicContact CD1-CD1 3.85Å; Y841-Y931 HydrophobicContact CD1-CD2 4.49Å; Y841-Y931 AromaticContact CD1-CE1 3.37Å; Y841-Y931 HydrophobicContact CD1-CE1 3.37Å; Y841-Y931 HydrophobicContact CD1-CE2 4.08Å; Y841-Y931 HydrophobicContact CD1-CG 4.37Å; Y841-Y931 AromaticContact CD1-CZ 3.48Å; Y841-Y931 VanDerWaalsContact CD1-CZ 3.48Å; Y841-Y931 AromaticContact CD2-CD1 3.74Å; Y841-Y931 HydrophobicContact CD2-CD1 3.74Å; Y841-Y931 AromaticContact CD2-CD2 3.63Å; Y841-Y931 HydrophobicContact CD2-CD2 3.63Å; Y841-Y931 HydrophobicContact CD2-CE1 4.05Å; Y841-Y931 AromaticContact CD2-CE2 3.94Å; Y841-Y931 HydrophobicContact CD2-CE2 3.94Å; Y841-Y931 AromaticContact CD2-CG 3.5Å; Y841-Y931 HydrophobicContact CD2-CG 3.5Å; Y841-Y931 VanDerWaalsContact CD2-CG 3.5Å; Y841-Y931 AromaticContact CE1-CD1 3.73Å; Y841-Y931 HydrophobicContact CE1-CD1 3.73Å; Y841-Y931 AromaticContact CE1-CE1 3.52Å; Y841-Y931 HydrophobicContact CE1-CE1 3.52Å; Y841-Y931 HydrophobicContact CE1-CG 4.48Å; Y841-Y931 AromaticContact CE2-CD1 3.61Å; Y841-Y931 HydrophobicContact CE2-CD1 3.61Å; Y841-Y931 HydrophobicContact CE2-CD2 4.26Å; Y841-Y931 HydrophobicContact CE2-CE1 4.18Å; Y841-Y931 AromaticContact CE2-CG 3.65Å; Y841-Y931 HydrophobicContact CE2-CG 3.65Å; Y841-Y931 AromaticContact CG-CD1 3.86Å; Y841-Y931 HydrophobicContact CG-CD1 3.86Å; Y841-Y931 AromaticContact CG-CD2 3.77Å; Y841-Y931 HydrophobicContact CG-CD2 3.77Å; Y841-Y931 AromaticContact CG-CE1 3.66Å; Y841-Y931 HydrophobicContact CG-CE1 3.66Å; Y841-Y931 AromaticContact CG-CE2 3.55Å; Y841-Y931 HydrophobicContact CG-CE2 3.55Å; Y841-Y931 AromaticContact CG-CG 3.9Å; Y841-Y931 HydrophobicContact CG-CG 3.9Å; Y841-Y931 AromaticContact CG-CZ 3.48Å; Y841-Y931 VanDerWaalsContact CG-CZ 3.48Å; Y841-Y931 AromaticContact CZ-CD1 3.61Å; Y841-Y931 AromaticContact CZ-CE1 3.94Å
842W93.7Very high87.9Confident32 Ų3234.4 Ų34.412%0.12117%0.171CC..Hα-helixtrans-68.1-31.3-178.6-77.4116.8000113.2Q838 Y840 R845 S846 A945 K946 F948 A951Q838-W842 WeakPolarHBondContact O-CB 3.44Å; Q838-W842 PolarHBondContact O-N 3.11Å; Y840-W842 PolarHBondContact O-N 2.92Å; W842-R845 HydrophobicContact CE3-CB 4.23Å; W842-R845 HydrophobicContact CE3-CG 4.05Å; W842-R845 HydrophobicContact CZ3-CG 4Å; W842-S846 WeakPolarHBondContact O-CB 3.5Å; W842-S846 PolarHBondContact O-N 2.96Å; W842-S846 PolarHBondContact O-OG 3.44Å; W842-S846 VanDerWaalsContact O-OG 3.06Å; W842-A945 VanDerWaalsContact CE2-O 3.31Å; W842-A945 WeakPolarHBondContact CZ2-O 3.16Å; W842-A945 PolarHBondContact NE1-O 3.47Å; W842-K946 WeakPolarHBondContact CH2-O 3.47Å; W842-K946 VanDerWaalsContact CZ2-O 3.3Å; W842-K946 WeakPolarHBondContact CZ2-O 3.41Å; W842-K946 WeakPolarHBondContact CZ3-O 3.36Å; W842-F948 HydrophobicContact CB-CB 4.03Å; W842-F948 HydrophobicContact CB-CD2 4.15Å; W842-A951 HydrophobicContact CB-CB 4.21Å; W842-A951 HydrophobicContact CG-CB 4.32Å
843F91.3Very high86Confident10 Ų1034.7 Ų34.74%0.04418%0.179CC..Hα-helixtrans-58.1-58.7170.4175.2-111.3000110.3S789 L790 L792 R839 Y840 Y841 R845 S846 L847 F948S789-F843 VanDerWaalsContact O-CE1 3.27Å; S789-F843 WeakPolarHBondContact O-CE1 3.49Å; S789-F843 WeakPolarHBondContact O-CZ 3.4Å; L790-F843 HydrophobicContact CD2-CB 3.97Å; L790-F843 HydrophobicContact CD2-CD1 3.7Å; L790-F843 HydrophobicContact CD2-CD2 4.22Å; L790-F843 HydrophobicContact CD2-CE1 4.21Å; L790-F843 HydrophobicContact CD2-CG 3.69Å; L790-F843 WeakPolarHBondContact O-CE2 3.49Å; L792-F843 HydrophobicContact CG-CE2 4.45Å; R839-F843 WeakPolarHBondContact O-CB 3.34Å; R839-F843 PolarHBondContact O-N 3.23Å; Y840-F843 WeakPolarHBondContact O-CB 3.42Å; Y840-F843 PolarHBondContact O-N 3.05Å; Y841-F843 VanDerWaalsContact C-N 3.32Å; Y841-F843 PolarHBondContact O-N 3.43Å; F843-R845 VanDerWaalsContact C-N 3.3Å; F843-R845 PolarHBondContact O-N 3.03Å; F843-S846 PolarHBondContact O-N 3.25Å; F843-S846 PolarHBondContact O-OG 3.25Å; F843-L847 HydrophobicContact CE1-CD1 4.49Å; F843-L847 HydrophobicContact CE1-CD2 4.24Å; F843-L847 HydrophobicContact CE2-CD2 4.01Å; F843-L847 HydrophobicContact CZ-CD2 3.83Å; F843-L847 WeakPolarHBondContact O-CG 3.4Å; F843-L847 PolarHBondContact O-N 2.78Å; F843-F948 HydrophobicContact CB-CD2 3.98Å; F843-F948 HydrophobicContact CB-CE2 3.56Å; F843-F948 HydrophobicContact CB-CZ 4.17Å; F843-F948 HydrophobicContact CD2-CE1 4.36Å; F843-F948 HydrophobicContact CD2-CE2 4.08Å; F843-F948 AromaticContact CD2-CZ 3.79Å; F843-F948 HydrophobicContact CD2-CZ 3.79Å; F843-F948 HydrophobicContact CG-CE2 4.29Å; F843-F948 HydrophobicContact CG-CZ 4.43Å
844K91.5Very high83.9Confident1 Ų143.4 Ų43.40%0.00422%0.216CC..Hα-helixtrans-53.6-47177.8-74.4-66-146.8-1740111.6D799 P800 S803 L804 Y840 Y841 S846 L847 W850D799-K844 PolarHBondContact O-NZ 2.98Å; D799-K844 WeakPolarHBondContact OD1-CE 3.28Å; D799-K844 IonicContact OD1-NZ 2.77Å; D799-K844 PolarHBondContact OD1-NZ 2.79Å; D799-K844 VanDerWaalsContact OD2-CE 3.31Å; D799-K844 WeakPolarHBondContact OD2-CE 3.41Å; D799-K844 IonicContact OD2-NZ 3.08Å; D799-K844 PolarHBondContact OD2-NZ 3.48Å; D799-K844 VanDerWaalsContact OD2-NZ 3.08Å; P800-K844 PolarHBondContact O-NZ 3.45Å; S803-K844 WeakPolarHBondContact O-CE 3.34Å; S803-K844 PolarHBondContact O-NZ 2.8Å; L804-K844 HydrophobicContact CD2-CB 3.92Å; L804-K844 HydrophobicContact CD2-CD 4.29Å; L804-K844 HydrophobicContact CD2-CG 4.25Å; Y840-K844 HydrophobicContact CE1-CG 4.29Å; Y840-K844 HydrophobicContact CE2-CG 4.28Å; Y840-K844 PolarHBondContact O-N 3.35Å; Y840-K844 WeakPolarHBondContact OH-CE 3.3Å; Y841-K844 PolarHBondContact O-N 3.19Å; K844-S846 VanDerWaalsContact C-N 3.26Å; K844-S846 PolarHBondContact O-N 3.47Å; K844-L847 HydrophobicContact CD-CD1 4.04Å; K844-L847 PolarHBondContact O-N 3.01Å; K844-W850 PolarHBondContact O-NE1 2.99Å
845R89.9Confident81.9Confident69 Ų6948.8 Ų48.826%0.2625%0.245SC..Hα-helixtrans-64.5-26.6-179.5-177.160.8-177.682-1.6114Y841 W842 F843 F923 E928Y841-R845 HydrophobicContact CE1-CB 4.4Å; Y841-R845 WeakPolarHBondContact O-CB 3.38Å; Y841-R845 PolarHBondContact O-N 3.26Å; W842-R845 HydrophobicContact CE3-CB 4.23Å; W842-R845 HydrophobicContact CE3-CG 4.05Å; W842-R845 HydrophobicContact CZ3-CG 4Å; F843-R845 VanDerWaalsContact C-N 3.3Å; F843-R845 PolarHBondContact O-N 3.03Å; R845-F923 HydrophobicContact CB-CE2 4.27Å; R845-F923 VanDerWaalsContact CD-CD2 3.47Å; R845-F923 VanDerWaalsContact CD-CG 3.43Å; R845-E928 IonicContact NE-OE1 3.93Å
846S88.6Confident79.5Confident45 Ų4551.5 Ų51.532%0.31526%0.26SS..Hα-helixtrans-88.7-7.5-18070.70000114.5W842 F843 K844W842-S846 WeakPolarHBondContact O-CB 3.5Å; W842-S846 PolarHBondContact O-N 2.96Å; W842-S846 PolarHBondContact O-OG 3.44Å; W842-S846 VanDerWaalsContact O-OG 3.06Å; F843-S846 PolarHBondContact O-N 3.25Å; F843-S846 PolarHBondContact O-OG 3.25Å; K844-S846 VanDerWaalsContact C-N 3.26Å; K844-S846 PolarHBondContact O-N 3.47Å
847L86.9Confident77Confident10 Ų1052.3 Ų52.35%0.05228%0.276CS..SBendtrans-62.8144.1-179.1-65.8173.2000111.1L792 P801 F843 K844 I849 W850L792-L847 HydrophobicContact CD2-CD2 3.65Å; L792-L847 HydrophobicContact CG-CD2 4.46Å; P801-L847 HydrophobicContact CB-CD1 3.74Å; P801-L847 HydrophobicContact CG-CD1 4.41Å; F843-L847 HydrophobicContact CE1-CD1 4.49Å; F843-L847 HydrophobicContact CE1-CD2 4.24Å; F843-L847 HydrophobicContact CE2-CD2 4.01Å; F843-L847 HydrophobicContact CZ-CD2 3.83Å; F843-L847 WeakPolarHBondContact O-CG 3.4Å; F843-L847 PolarHBondContact O-N 2.78Å; K844-L847 HydrophobicContact CD-CD1 4.04Å; K844-L847 PolarHBondContact O-N 3.01Å; L847-I849 HydrophobicContact CB-CG1 4.16Å; L847-I849 PolarHBondContact O-N 3.14Å; L847-W850 PolarHBondContact O-N 2.74Å
848P81.8Confident74.6Confident88 Ų8859.5 Ų59.557%0.57131%0.31SS*.THydrogen-bonded Turntrans-54.1-28.7-175.5-28.434.8000114.7L792 W850 V851L792-P848 HydrophobicContact CD2-CG 4.38Å; P848-W850 PolarHBondContact O-N 3.23Å; P848-V851 PolarHBondContact O-N 3.4Å
849I79.7Confident71.9Confident41 Ų4165.8 Ų65.821%0.2134%0.343CS..THydrogen-bonded Turntrans-62.9-23.718061.8163.1000113.9P801 D802 L847 F918 V921P801-I849 VanDerWaalsContact C-CD1 3.45Å; P801-I849 HydrophobicContact CB-CD1 3.64Å; P801-I849 HydrophobicContact CB-CG1 4.33Å; P801-I849 WeakPolarHBondContact O-CD1 3.37Å; D802-I849 HydrophobicContact CB-CD1 4.16Å; L847-I849 HydrophobicContact CB-CG1 4.16Å; L847-I849 PolarHBondContact O-N 3.14Å; I849-F918 HydrophobicContact CB-CE1 4.23Å; I849-F918 HydrophobicContact CB-CZ 4.01Å; I849-F918 HydrophobicContact CG2-CE1 4.19Å; I849-F918 HydrophobicContact CG2-CZ 3.73Å; I849-V921 PolarHBondContact O-N 3.42Å; I849-V921 VanDerWaalsContact O-N 3.16Å
850W82Confident69.2Low23 Ų2367.1 Ų67.19%0.08736%0.361CS..THydrogen-bonded Turntrans-106.8-16.4-176.8-52.7113.6000113.8P801 L804 K844 L847 P848 V921 F923 P924P801-W850 PolarHBondContact O-NE1 3Å; L804-W850 HydrophobicContact CD1-CH2 3.96Å; L804-W850 HydrophobicContact CD1-CZ2 3.7Å; L804-W850 HydrophobicContact CD2-CZ2 4.08Å; L804-W850 HydrophobicContact CG-CH2 4.46Å; L804-W850 HydrophobicContact CG-CZ2 3.87Å; K844-W850 PolarHBondContact O-NE1 2.99Å; L847-W850 PolarHBondContact O-N 2.74Å; P848-W850 PolarHBondContact O-N 3.23Å; W850-V921 WeakPolarHBondContact CA-O 3.27Å; W850-V921 HydrophobicContact CZ3-CB 4.31Å; W850-V921 HydrophobicContact CZ3-CG1 4.15Å; W850-F923 HydrophobicContact CB-CB 4.48Å; W850-F923 HydrophobicContact CB-CD2 4.28Å; W850-F923 AromaticContact CD2-CD2 3.79Å; W850-F923 HydrophobicContact CD2-CD2 3.79Å; W850-F923 HydrophobicContact CE3-CB 4.33Å; W850-F923 HydrophobicContact CE3-CD2 4.23Å; W850-F923 AromaticContact CG-CD2 3.81Å; W850-F923 HydrophobicContact CG-CD2 3.81Å; W850-P924 HydrophobicContact CH2-CG 4.38Å; W850-P924 HydrophobicContact CZ3-CG 4.37Å
851V69.4Low66.5Low70 Ų7070.9 Ų70.942%0.42439%0.388SS..SBendtrans-93.6115.5-176.2-179.40000108.7P848 S853P848-V851 PolarHBondContact O-N 3.4Å; V851-S853 PolarHBondContact O-N 2.95Å
852Q57.4Low63.7Low136 Ų13674.5 Ų74.564%0.63642%0.418SS*.  trans-65.4123.1170.7-73.6165.6-18.900109.1K854 P920Q852-K854 PolarHBondContact O-N 3.48Å; Q852-P920 HydrophobicContact CG-CB 4.31Å
853S49.7Very low60.7Low66 Ų6682.4 Ų82.446%0.46245%0.453SS..  trans-60127.6169.2-175.70000108.1V851 N855 D856V851-S853 PolarHBondContact O-N 2.95Å; S853-N855 PolarHBondContact O-N 3.48Å; S853-D856 PolarHBondContact O-N 2.68Å
854K49.7Very low57.7Low182 Ų18286.9 Ų86.979%0.79149%0.486SS*.THydrogen-bonded Turntrans-54.9-16.4-178.8-81.4-177.9172.7-178.60113.6Q852 D856 A857Q852-K854 PolarHBondContact O-N 3.48Å; K854-D856 VanDerWaalsContact C-N 3.33Å; K854-D856 PolarHBondContact O-N 3.08Å; K854-A857 PolarHBondContact O-N 3.23Å
855N50.2Low54.7Low117 Ų11793.8 Ų93.863%0.62653%0.528SS*.Hα-helixtrans-71.5-22.9-177.9-61.70.4000113.7S853 L859S853-N855 PolarHBondContact O-N 3.48Å; N855-L859 PolarHBondContact O-N 2.96Å
856D42.6Very low51.8Low79 Ų7993.6 Ų93.642%0.42255%0.547SS..Hα-helixtrans-80.5-22.6-179.7-66.5-24.7000112.8S853 K854 E858 L859 S860S853-D856 PolarHBondContact O-N 2.68Å; K854-D856 VanDerWaalsContact C-N 3.33Å; K854-D856 PolarHBondContact O-N 3.08Å; D856-E858 VanDerWaalsContact C-N 3.3Å; D856-L859 PolarHBondContact O-N 3.1Å; D856-S860 PolarHBondContact O-N 3.12Å; D856-S860 VanDerWaalsContact O-N 3.08Å; D856-S860 PolarHBondContact O-OG 3.37Å
857A42.1Very low48.8Very low64 Ų64100.9 Ų100.953%0.52958%0.576SS.*Hα-helixtrans-67.3-34.4173.200000111.1K854 S860 S861K854-A857 PolarHBondContact O-N 3.23Å; A857-S860 PolarHBondContact O-OG 2.76Å; A857-S861 WeakPolarHBondContact O-CB 3.42Å; A857-S861 PolarHBondContact O-N 2.82Å
858E44.1Very low46Very low152 Ų152106.7 Ų106.771%0.7161%0.612SS**Hα-helixtrans-77.1-33.6177.2-67.7-174.3178.100112.3D856 S861 A862D856-E858 VanDerWaalsContact C-N 3.3Å; E858-S861 PolarHBondContact O-N 2.68Å; E858-A862 PolarHBondContact O-N 3.27Å; E858-A862 VanDerWaalsContact O-N 3.16Å
859L37.8Very low43.2Very low135 Ų135111.6 Ų111.671%0.70763%0.625SS**Hα-helixtrans-73.8-31.1177.5-164.865.3000112.8N855 D856N855-L859 PolarHBondContact O-N 2.96Å; D856-L859 PolarHBondContact O-N 3.1Å
860S37.7Very low40.7Very low86 Ų86116 Ų11660%0.60165%0.654SS**Hα-helixtrans-78.4-31.5171.452.60000112.6D856 A857 A862D856-S860 PolarHBondContact O-N 3.12Å; D856-S860 VanDerWaalsContact O-N 3.08Å; D856-S860 PolarHBondContact O-OG 3.37Å; A857-S860 PolarHBondContact O-OG 2.76Å; S860-A862 VanDerWaalsContact C-N 3.25Å; S860-A862 PolarHBondContact O-N 3.31Å
861S37Very low38.1Very low83 Ų83122.1 Ų122.158%0.5869%0.688SS**Hα-helixtrans-70.1-16.3173.8-177.50000114A857 E858 K863A857-S861 WeakPolarHBondContact O-CB 3.42Å; A857-S861 PolarHBondContact O-N 2.82Å; E858-S861 PolarHBondContact O-N 2.68Å; S861-K863 VanDerWaalsContact C-N 3.26Å; S861-K863 PolarHBondContact O-N 2.97Å
862A33.9Very low36Very low76 Ų76127.2 Ų127.263%0.62871%0.712SS**THydrogen-bonded Turntrans-79.50.2179.300000114.4E858 S860E858-A862 PolarHBondContact O-N 3.27Å; E858-A862 VanDerWaalsContact O-N 3.16Å; S860-A862 VanDerWaalsContact C-N 3.25Å; S860-A862 PolarHBondContact O-N 3.31Å
863K31Very low34.6Very low198 Ų198128.3 Ų128.386%0.86172%0.722SS**THydrogen-bonded Turntrans-115.97.3-177.1-99.3-178.6179.2176.60117.2S861S861-K863 VanDerWaalsContact C-N 3.26Å; S861-K863 PolarHBondContact O-N 2.97Å
864S28.7Very low33.5Very low104 Ų104132 Ų13273%0.72774%0.743SS**  trans-136.470.1171740000112.5
865V29.3Very low32.5Very low145 Ų145127 Ų12788%0.87974%0.743SS**  trans-112.198.9162.31800000106.6
866G27.3Very low31.2Very low65 Ų65130.6 Ų130.667%0.6776%0.755SS**  trans17232179.800000115.6
867E27.6Very low30.6Very low198 Ų198135 Ų13593%0.92578%0.778SS**  trans-122.590.4165.6-75.3-173.517400109.1K869E867-K869 PolarHBondContact O-N 3.38Å
868T26.9Very low29.8Very low132 Ų132137.7 Ų137.781%0.8179%0.788SS**  trans-67.6121.2174.6-25.80000108.9T870T868-T870 PolarHBondContact O-N 3.22Å
869K24.3Very low28.9Very low191 Ų191135.7 Ų135.783%0.8379%0.791SS**  trans-32123.4159.6-66.1175.7173.2-177.40111.5E867E867-K869 PolarHBondContact O-N 3.38Å
870T26.3Very low28.2Very low134 Ų134134 Ų13482%0.82279%0.791SS**  trans-131.4112.2154.531.40000108.4T868T868-T870 PolarHBondContact O-N 3.22Å
871D28.1Very low27.7Very low152 Ų152136.9 Ų136.981%0.81380%0.798SS**  trans-60.9130.8177.9-65.4-54.4000110.7N873D871-N873 PolarHBondContact O-N 3.02Å
872L24.6Very low27.2Very low177 Ų177141.7 Ų141.793%0.92781%0.811SS**  trans-69.3106.9169.4-70.6152.5000108
873N28.8Very low26.9Very low158 Ų158146.8 Ų146.885%0.84582%0.822SS**  trans-118.1112.6164.2-135.7-2.7000109.4D871D871-N873 PolarHBondContact O-N 3.02Å
874T24.6Very low27Very low145 Ų145143.1 Ų143.189%0.8982%0.818SS**  trans-60.7125.7174.729.20000111.7
875G29.2Very low26.8Very low77 Ų77142.4 Ų142.479%0.79482%0.818SS**  trans-160.397.4172.800000110.3
876E24.2Very low26.6Very low191 Ų191141 Ų14189%0.89381%0.81SS**  trans-64.5135175.8-156.5176-167.600110.9
877L29.8Very low26.8Very low173 Ų173145.6 Ų145.691%0.90682%0.819SS**  trans171.1144.8139.6-89.2165.6000111.5
878T24.6Very low26.7Very low120 Ų120144.1 Ų144.174%0.73681%0.812SS**  trans-90.2161.6-160.450.60000115.9
879S25.1Very low26.8Very low110 Ų110142.8 Ų142.877%0.76981%0.808SS**  trans76144155.775.30000117.6
880S23.7Very low26.8Very low100 Ų100141.7 Ų141.770%0.69981%0.806SS**  cis-175.3162.5-14.2-77.70000105.8
881I26.6Very low26.8Very low145 Ų145141.9 Ų141.974%0.74480%0.802SS**  trans105.2121.9152-61.3154.9000119.4
882E27.6Very low26.9Very low185 Ų185139.4 Ų139.486%0.86480%0.797SS**  trans89.8119.6146.1-84.3156.4-16500124.3
883E26.1Very low27Very low182 Ų182139.1 Ų139.185%0.8580%0.795SS**  trans-67.3157.4160.7-53.7176.4143.900111.6
884P33.9Very low27.2Very low122 Ų122138.5 Ų138.579%0.79279%0.79SS**  -159.9151.288.237.8-15.7000119.2
885A24.7Very low27.7Very low88 Ų88137.3 Ų137.373%0.72779%0.785SS**  trans32.4127.7132.400000126.4
886V25.3Very low27.5Very low116 Ų116140.8 Ų140.870%0.70379%0.785SS**  75.3122.2126.8-178.80000121.4
887N30.9Very low27.8Very low161 Ų161139 Ų13986%0.86178%0.782SS**  -170.9150.5124.1-107.6-20.4000116
888H25.2Very low27.8Very low167 Ų167135.5 Ų135.577%0.77377%0.769SS**  trans-101.7178.2-169.1-85.4-88.2000114.5
889S28.4Very low27.9Very low104 Ų104138.8 Ų138.873%0.72778%0.777SS**  trans82.4151.4146.970.60000118.2
890E25Very low28.3Very low168 Ų168139.4 Ų139.479%0.78578%0.781SS**  cis-175.5158.7-10.9-106.6174.2176.400107.1
891D26.6Very low28.3Very low139 Ų139140 Ų14074%0.74379%0.785SS**  trans60.3131.2145.3-68.2-12.6000125.3
892S30.1Very low28.7Very low100 Ų100140.1 Ų140.170%0.69979%0.792SS**  148.6121.7111.7-730000118.1
893L27.1Very low28.6Very low171 Ų171138 Ų13890%0.89579%0.787SS**  76135.6128.5-66158.5000124.5
894I32.2Very low28.5Very low144 Ų144137 Ų13774%0.73879%0.785SS**  trans-95.5154.3179.2-50.7163.1000109.8
895P35Very low28.5Very low120 Ų120136.9 Ų136.978%0.77979%0.788SS**  -157.3147.3103.136.2-14.5000119.2
896N25.3Very low28.6Very low151 Ų151136 Ų13681%0.80779%0.787SS**  trans-10.1141.8150.5-56-34.3000122.5
897N30.4Very low29Very low153 Ų153136.4 Ų136.482%0.81879%0.792SS**  -169.1136.6123.9-157.934.6000113
898P30.6Very low29Very low99 Ų99136.2 Ų136.264%0.64379%0.791SS**  trans-104.9157.1169.537.5-27.5000112.5
899E26.8Very low29.2Very low190 Ų190133.3 Ų133.389%0.88879%0.79SS**  trans159.1116150-93.3172.3-167.800111.8
900S32.7Very low29.4Very low122 Ų122134.9 Ų134.985%0.85379%0.79SS**  trans-179.3116.813462.90000111
901S24.5Very low29.7Very low114 Ų114132.9 Ų132.980%0.79779%0.79SS**  trans-79.7135174.349.50000112.9
902V33.4Very low29.9Very low146 Ų146134.9 Ų134.989%0.88579%0.794SS**  trans-145.7137.8154.5-178.80000110
903D26.2Very low29.9Very low141 Ų141136 Ų13675%0.75480%0.797SS**  trans-74.1144.7-168.2-67.9-58000117.3
904I24.9Very low30.2Very low160 Ų160136.7 Ų136.782%0.82180%0.795SS**  trans34.1108.4131.7-48.3174.4000118.6
905S33.6Very low30.2Very low120 Ų120137 Ų13784%0.83980%0.798SS**  trans-146.4140.7136.456.20000110
906G26.8Very low30.4Very low70 Ų70136.7 Ų136.772%0.72280%0.796SS**  trans-72.2177-166.100000116.2
907P33.2Very low31.3Very low125 Ų125137.3 Ų137.381%0.81280%0.796SS**  trans-92.7130.9-150.134.4-31.2000112.8
908N31.5Very low32.5Very low156 Ų156136.3 Ų136.383%0.83478%0.784SS**  trans-88.1115.6153.6-90.6-6.7000108.1D910N908-D910 PolarHBondContact O-N 3.43Å
909S29.6Very low33.9Very low106 Ų106138.3 Ų138.374%0.74179%0.788SS**  trans-69.487171.352.80000110.4
910D31.9Very low35.8Very low137 Ų137130.5 Ų130.573%0.73375%0.754SS**  trans-120.169.7159.6-77.3-31.4000108.1N908 Q912N908-D910 PolarHBondContact O-N 3.43Å; D910-Q912 PolarHBondContact O-N 3.29Å
911T31.1Very low37.7Very low127 Ų127129 Ų12978%0.77974%0.74SS**  trans-69.586.3161.640.50000107.7T913T911-T913 VanDerWaalsContact C-N 3.29Å; T911-T913 PolarHBondContact O-N 2.91Å
912Q31.2Very low40.5Very low180 Ų180132.7 Ų132.784%0.84174%0.736SS**  trans-61.896.3160.6-75.6179.21.700107.5D910 H914D910-Q912 PolarHBondContact O-N 3.29Å; Q912-H914 PolarHBondContact O-N 2.9Å; Q912-H914 VanDerWaalsContact O-N 3.12Å
913T30.1Very low43Very low123 Ų123126 Ų12676%0.75570%0.695SS**  trans-58.6112.9165.117.50000107.8T911 L915T911-T913 VanDerWaalsContact C-N 3.29Å; T911-T913 PolarHBondContact O-N 2.91Å; T913-L915 PolarHBondContact O-N 3.48Å
914H33.1Very low46Very low187 Ų187121.7 Ų121.787%0.86668%0.675SS**  trans-60.291.4177.6-146.7-90.2000108.8Q912Q912-H914 PolarHBondContact O-N 2.9Å; Q912-H914 VanDerWaalsContact O-N 3.12Å
915L32Very low49.1Very low150 Ų150117.1 Ų117.179%0.78565%0.654SS**  trans-62.6135.5172.6-112.899.3000108.3T913 M917T913-L915 PolarHBondContact O-N 3.48Å; L915-M917 PolarHBondContact O-N 3.46Å
916P39.6Very low51.7Low114 Ų114114.8 Ų114.874%0.7464%0.642SS**  trans-60.2126.1179.324-31.5000109.7F918P916-F918 PolarHBondContact O-N 3.28Å; P916-F918 VanDerWaalsContact O-N 3.12Å
917M45Very low54.7Low164 Ų164112.4 Ų112.481%0.80861%0.613SS**  trans-60.8111.3176.6-171.4-177.4-67.500108.9L915 I919L915-M917 PolarHBondContact O-N 3.46Å; M917-I919 PolarHBondContact O-N 2.94Å
918F55.2Low57.5Low132 Ų132108.7 Ų108.758%0.57959%0.585SS**  trans-70.5119.2177.7-177-90.2000109.3I849 P916 P920I849-F918 HydrophobicContact CB-CE1 4.23Å; I849-F918 HydrophobicContact CB-CZ 4.01Å; I849-F918 HydrophobicContact CG2-CE1 4.19Å; I849-F918 HydrophobicContact CG2-CZ 3.73Å; P916-F918 PolarHBondContact O-N 3.28Å; P916-F918 VanDerWaalsContact O-N 3.12Å; F918-P920 VanDerWaalsContact O-CD 3.32Å; F918-P920 WeakPolarHBondContact O-CD 3.11Å
919I60.7Low60.3Low141 Ų141106.4 Ų106.472%0.72357%0.569SS**  trans-85113.7175.6-59.5171.9000107.8M917 V921M917-I919 PolarHBondContact O-N 2.94Å; I919-V921 PolarHBondContact O-N 3.33Å
920P64.9Low63.4Low25 Ų25103.6 Ų103.616%0.16255%0.545CS..PPolyproline II helixtrans-63.1134.2179.1-2033.1000111.4Q852 F918Q852-P920 HydrophobicContact CG-CB 4.31Å; F918-P920 VanDerWaalsContact O-CD 3.32Å; F918-P920 WeakPolarHBondContact O-CD 3.11Å
921V73.8Confident66.3Low92 Ų9297.1 Ų97.156%0.55851%0.51SS*.PPolyproline II helixtrans-89.2137.2175.4-178.40000108.2I849 W850 I919 F923I849-V921 PolarHBondContact O-N 3.42Å; I849-V921 VanDerWaalsContact O-N 3.16Å; W850-V921 WeakPolarHBondContact CA-O 3.27Å; W850-V921 HydrophobicContact CZ3-CB 4.31Å; W850-V921 HydrophobicContact CZ3-CG1 4.15Å; I919-V921 PolarHBondContact O-N 3.33Å; V921-F923 PolarHBondContact O-N 3.01Å
922R83.1Confident69.2Low190 Ų19095.1 Ų95.172%0.71749%0.491SS*.PPolyproline II helixtrans-65.6137.2176.4-171.6178.3179.6164.31.7110
923F86.8Confident72Confident5 Ų592.6 Ų92.62%0.02248%0.479CS..PPolyproline II helixtrans-56.5133.2173.9-166.2-92.2000111L804 Y841 R845 W850 V921 V925 V927 E928L804-F923 HydrophobicContact CD1-CD2 4.02Å; L804-F923 HydrophobicContact CD1-CE1 4.3Å; L804-F923 HydrophobicContact CD1-CE2 3.49Å; L804-F923 VanDerWaalsContact CD1-CE2 3.49Å; L804-F923 HydrophobicContact CD1-CZ 3.66Å; L804-F923 HydrophobicContact CD2-CE2 3.68Å; L804-F923 HydrophobicContact CD2-CZ 4.09Å; L804-F923 HydrophobicContact CG-CE2 4.25Å; L804-F923 HydrophobicContact CG-CZ 4.48Å; Y841-F923 HydrophobicContact CE2-CE1 4.12Å; Y841-F923 HydrophobicContact CE2-CZ 4.04Å; R845-F923 HydrophobicContact CB-CE2 4.27Å; R845-F923 VanDerWaalsContact CD-CD2 3.47Å; R845-F923 VanDerWaalsContact CD-CG 3.43Å; W850-F923 HydrophobicContact CB-CB 4.48Å; W850-F923 HydrophobicContact CB-CD2 4.28Å; W850-F923 AromaticContact CD2-CD2 3.79Å; W850-F923 HydrophobicContact CD2-CD2 3.79Å; W850-F923 HydrophobicContact CE3-CB 4.33Å; W850-F923 HydrophobicContact CE3-CD2 4.23Å; W850-F923 AromaticContact CG-CD2 3.81Å; W850-F923 HydrophobicContact CG-CD2 3.81Å; V921-F923 PolarHBondContact O-N 3.01Å; F923-V925 PolarHBondContact O-N 3.1Å; F923-V925 VanDerWaalsContact O-N 3.16Å; F923-V927 HydrophobicContact CE1-CB 4.4Å; F923-V927 HydrophobicContact CE1-CG1 4.4Å; F923-V927 HydrophobicContact CZ-CG1 4.45Å; F923-E928 HydrophobicContact CD1-CB 4.08Å; F923-E928 HydrophobicContact CE1-CB 4.01Å
924P88.9Confident74.9Confident51 Ų5187.2 Ų87.233%0.33145%0.446SS..  trans-61.8115.2-177.4-26.737.1000113.1L804 W850 A926 V927 E928L804-P924 VanDerWaalsContact CD1-CD 3.45Å; L804-P924 HydrophobicContact CD1-CG 3.8Å; W850-P924 HydrophobicContact CH2-CG 4.38Å; W850-P924 HydrophobicContact CZ3-CG 4.37Å; P924-A926 VanDerWaalsContact C-N 3.25Å; P924-A926 PolarHBondContact O-N 3.3Å; P924-V927 HydrophobicContact CB-CB 4.48Å; P924-V927 HydrophobicContact CB-CG2 4.13Å; P924-V927 PolarHBondContact O-N 2.8Å; P924-V927 VanDerWaalsContact O-N 3.14Å; P924-E928 PolarHBondContact O-N 2.97Å
925V89.3Confident77.5Confident65 Ų6579.2 Ų79.239%0.39441%0.409SS..Hα-helixtrans-58.4-36-177.3179.40000112.3F923 V927 E928 Q929F923-V925 PolarHBondContact O-N 3.1Å; F923-V925 VanDerWaalsContact O-N 3.16Å; V925-V927 PolarHBondContact O-N 3.29Å; V925-E928 PolarHBondContact O-N 2.99Å; V925-Q929 HydrophobicContact CG1-CG 4.17Å; V925-Q929 WeakPolarHBondContact O-CB 3.45Å; V925-Q929 VanDerWaalsContact O-CG 3.32Å; V925-Q929 WeakPolarHBondContact O-CG 3.47Å; V925-Q929 PolarHBondContact O-N 3Å
926A88.7Confident80.1Confident70 Ų7077.9 Ų77.958%0.57940%0.399SS*.Hα-helixtrans-63.8-38.1179.500000113P924 Q930P924-A926 VanDerWaalsContact C-N 3.25Å; P924-A926 PolarHBondContact O-N 3.3Å; A926-Q930 WeakPolarHBondContact O-CB 3.38Å; A926-Q930 PolarHBondContact O-N 3.29Å
927V90Very high82.3Confident20 Ų2077.6 Ų77.612%0.12139%0.388CS..Hα-helixtrans-71.2-40.3177.5178.20000110.3L804 I807 F923 P924 V925 Q930 Y931L804-V927 HydrophobicContact CB-CG1 4.34Å; I807-V927 HydrophobicContact CB-CG1 4.02Å; I807-V927 HydrophobicContact CD1-CG1 3.98Å; I807-V927 HydrophobicContact CG2-CG1 3.84Å; F923-V927 HydrophobicContact CE1-CB 4.4Å; F923-V927 HydrophobicContact CE1-CG1 4.4Å; F923-V927 HydrophobicContact CZ-CG1 4.45Å; P924-V927 HydrophobicContact CB-CB 4.48Å; P924-V927 HydrophobicContact CB-CG2 4.13Å; P924-V927 PolarHBondContact O-N 2.8Å; P924-V927 VanDerWaalsContact O-N 3.14Å; V925-V927 PolarHBondContact O-N 3.29Å; V927-Q930 PolarHBondContact O-N 3.26Å; V927-Y931 WeakPolarHBondContact O-CB 3.5Å; V927-Y931 PolarHBondContact O-N 3.26Å
928E91.2Very high83.9Confident47 Ų4770.2 Ų70.222%0.2235%0.351CS..Hα-helixtrans-61.8-47.3176.2-178.7157-14000111.7Y841 R845 F923 P924 V925 Y931 F932Y841-E928 WeakPolarHBondContact OH-CG 3.35Å; Y841-E928 PolarHBondContact OH-OE1 2.85Å; R845-E928 IonicContact NE-OE1 3.93Å; F923-E928 HydrophobicContact CD1-CB 4.08Å; F923-E928 HydrophobicContact CE1-CB 4.01Å; P924-E928 PolarHBondContact O-N 2.97Å; V925-E928 PolarHBondContact O-N 2.99Å; E928-Y931 PolarHBondContact O-N 3.11Å; E928-F932 HydrophobicContact CG-CD2 3.71Å; E928-F932 HydrophobicContact CG-CE2 3.45Å; E928-F932 VanDerWaalsContact CG-CE2 3.45Å; E928-F932 WeakPolarHBondContact O-CD2 3.41Å; E928-F932 PolarHBondContact O-N 3.42Å
929Q91.5Very high84.5Confident108 Ų10874.3 Ų74.351%0.50536%0.363SS..Hα-helixtrans-58.5-50.9174.1-75.3173.2-14.400111.5V925 Y931 F932 E933V925-Q929 HydrophobicContact CG1-CG 4.17Å; V925-Q929 WeakPolarHBondContact O-CB 3.45Å; V925-Q929 VanDerWaalsContact O-CG 3.32Å; V925-Q929 WeakPolarHBondContact O-CG 3.47Å; V925-Q929 PolarHBondContact O-N 3Å; Q929-Y931 VanDerWaalsContact C-N 3.29Å; Q929-Y931 PolarHBondContact O-N 3.14Å; Q929-F932 PolarHBondContact O-N 2.88Å; Q929-E933 WeakPolarHBondContact O-CB 3.35Å; Q929-E933 WeakPolarHBondContact O-CG 3.45Å; Q929-E933 PolarHBondContact O-N 3.18Å
930Q92.7Very high84.6Confident47 Ų4769.1 Ų69.122%0.2234%0.344CS..Hα-helixtrans-57.6-42.4179.6-171.5-178.421.200111.9T808 C811 A926 V927 T934T808-Q930 PolarHBondContact OG1-OE1 3.12Å; T808-Q930 VanDerWaalsContact OG1-OE1 3.08Å; C811-Q930 HydrophobicContact CB-CG 3.76Å; A926-Q930 WeakPolarHBondContact O-CB 3.38Å; A926-Q930 PolarHBondContact O-N 3.29Å; V927-Q930 PolarHBondContact O-N 3.26Å; Q930-T934 VanDerWaalsContact O-CB 3.31Å; Q930-T934 WeakPolarHBondContact O-CB 3.29Å; Q930-T934 PolarHBondContact O-N 2.88Å; Q930-T934 PolarHBondContact O-OG1 3Å
931Y93.6Very high84.5Confident1 Ų173.4 Ų73.40%0.00437%0.366CS..Hα-helixtrans-62.3-49.9176.8167.5-98.9000112F837 Q838 Y841 V927 E928 Q929 T934 L935F837-Y931 HydrophobicContact CD1-CD2 4.4Å; F837-Y931 HydrophobicContact CD1-CE2 4.06Å; F837-Y931 AromaticContact CE1-CD2 3.65Å; F837-Y931 HydrophobicContact CE1-CD2 3.65Å; F837-Y931 AromaticContact CE1-CE2 3.76Å; F837-Y931 HydrophobicContact CE1-CE2 3.76Å; F837-Y931 HydrophobicContact CE2-CD2 4.47Å; F837-Y931 AromaticContact CZ-CD2 3.7Å; F837-Y931 HydrophobicContact CZ-CD2 3.7Å; F837-Y931 HydrophobicContact CZ-CE2 4.07Å; Q838-Y931 WeakPolarHBondContact CG-OH 3.45Å; Y841-Y931 VanDerWaalsContact CB-CE2 3.5Å; Y841-Y931 AromaticContact CD1-CD1 3.85Å; Y841-Y931 HydrophobicContact CD1-CD1 3.85Å; Y841-Y931 HydrophobicContact CD1-CD2 4.49Å; Y841-Y931 AromaticContact CD1-CE1 3.37Å; Y841-Y931 HydrophobicContact CD1-CE1 3.37Å; Y841-Y931 HydrophobicContact CD1-CE2 4.08Å; Y841-Y931 HydrophobicContact CD1-CG 4.37Å; Y841-Y931 AromaticContact CD1-CZ 3.48Å; Y841-Y931 VanDerWaalsContact CD1-CZ 3.48Å; Y841-Y931 AromaticContact CD2-CD1 3.74Å; Y841-Y931 HydrophobicContact CD2-CD1 3.74Å; Y841-Y931 AromaticContact CD2-CD2 3.63Å; Y841-Y931 HydrophobicContact CD2-CD2 3.63Å; Y841-Y931 HydrophobicContact CD2-CE1 4.05Å; Y841-Y931 AromaticContact CD2-CE2 3.94Å; Y841-Y931 HydrophobicContact CD2-CE2 3.94Å; Y841-Y931 AromaticContact CD2-CG 3.5Å; Y841-Y931 HydrophobicContact CD2-CG 3.5Å; Y841-Y931 VanDerWaalsContact CD2-CG 3.5Å; Y841-Y931 AromaticContact CE1-CD1 3.73Å; Y841-Y931 HydrophobicContact CE1-CD1 3.73Å; Y841-Y931 AromaticContact CE1-CE1 3.52Å; Y841-Y931 HydrophobicContact CE1-CE1 3.52Å; Y841-Y931 HydrophobicContact CE1-CG 4.48Å; Y841-Y931 AromaticContact CE2-CD1 3.61Å; Y841-Y931 HydrophobicContact CE2-CD1 3.61Å; Y841-Y931 HydrophobicContact CE2-CD2 4.26Å; Y841-Y931 HydrophobicContact CE2-CE1 4.18Å; Y841-Y931 AromaticContact CE2-CG 3.65Å; Y841-Y931 HydrophobicContact CE2-CG 3.65Å; Y841-Y931 AromaticContact CG-CD1 3.86Å; Y841-Y931 HydrophobicContact CG-CD1 3.86Å; Y841-Y931 AromaticContact CG-CD2 3.77Å; Y841-Y931 HydrophobicContact CG-CD2 3.77Å; Y841-Y931 AromaticContact CG-CE1 3.66Å; Y841-Y931 HydrophobicContact CG-CE1 3.66Å; Y841-Y931 AromaticContact CG-CE2 3.55Å; Y841-Y931 HydrophobicContact CG-CE2 3.55Å; Y841-Y931 AromaticContact CG-CG 3.9Å; Y841-Y931 HydrophobicContact CG-CG 3.9Å; Y841-Y931 AromaticContact CG-CZ 3.48Å; Y841-Y931 VanDerWaalsContact CG-CZ 3.48Å; Y841-Y931 AromaticContact CZ-CD1 3.61Å; Y841-Y931 AromaticContact CZ-CE1 3.94Å; V927-Y931 WeakPolarHBondContact O-CB 3.5Å; V927-Y931 PolarHBondContact O-N 3.26Å; E928-Y931 PolarHBondContact O-N 3.11Å; Q929-Y931 VanDerWaalsContact C-N 3.29Å; Q929-Y931 PolarHBondContact O-N 3.14Å; Y931-T934 PolarHBondContact O-N 3.46Å; Y931-L935 WeakPolarHBondContact O-CB 3.49Å; Y931-L935 PolarHBondContact O-N 3.3Å
932F92.1Very high84.4Confident85 Ų8570 Ų7037%0.37335%0.345SS..Hα-helixtrans-67.7-40-177.9-76.5-58.9000112.7E928 Q929 L935 Q936E928-F932 HydrophobicContact CG-CD2 3.71Å; E928-F932 HydrophobicContact CG-CE2 3.45Å; E928-F932 VanDerWaalsContact CG-CE2 3.45Å; E928-F932 WeakPolarHBondContact O-CD2 3.41Å; E928-F932 PolarHBondContact O-N 3.42Å; Q929-F932 PolarHBondContact O-N 2.88Å; F932-L935 PolarHBondContact O-N 3.3Å; F932-Q936 VanDerWaalsContact O-CB 3.27Å; F932-Q936 WeakPolarHBondContact O-CB 3.5Å; F932-Q936 PolarHBondContact O-N 3.45Å
933E90.7Very high84.1Confident127 Ų12762.5 Ų62.559%0.59333%0.327SS*.Hα-helixtrans-61.3-45.4174.3-73.1175.6-175.700111.1Q929 L935 Q936 Q937Q929-E933 WeakPolarHBondContact O-CB 3.35Å; Q929-E933 WeakPolarHBondContact O-CG 3.45Å; Q929-E933 PolarHBondContact O-N 3.18Å; E933-L935 PolarHBondContact O-N 3.11Å; E933-Q936 PolarHBondContact O-N 2.95Å; E933-Q937 PolarHBondContact O-N 3.46Å
934T90.1Very high84Confident10 Ų1069.8 Ų69.86%0.06135%0.354CS..Hα-helixtrans-61.1-45.8176.5-56.50000111C811 L814 Q930 Y931 Q936 Q937 F938C811-T934 HydrophobicContact CB-CG2 4.36Å; C811-T934 WeakPolarHBondContact CB-OG1 3.33Å; C811-T934 PolarHBondContact SG-OG1 3.12Å; L814-T934 HydrophobicContact CB-CG2 4Å; L814-T934 HydrophobicContact CD1-CG2 3.88Å; Q930-T934 VanDerWaalsContact O-CB 3.31Å; Q930-T934 WeakPolarHBondContact O-CB 3.29Å; Q930-T934 PolarHBondContact O-N 2.88Å; Q930-T934 PolarHBondContact O-OG1 3Å; Y931-T934 PolarHBondContact O-N 3.46Å; T934-Q936 VanDerWaalsContact C-N 3.32Å; T934-Q936 PolarHBondContact O-N 3.1Å; T934-Q937 WeakPolarHBondContact O-CB 3.44Å; T934-Q937 PolarHBondContact O-N 2.83Å; T934-F938 HydrophobicContact CG2-CD2 4.47Å; T934-F938 HydrophobicContact CG2-CE2 4.01Å; T934-F938 WeakPolarHBondContact O-CD2 3.46Å
935L88.1Confident83.9Confident20 Ų2067.8 Ų67.811%0.10534%0.342CS..Hα-helixtrans-66.3-34.2178.6-157.386.6000112.1L834 Q838 Y931 F932 E933 R944L834-L935 HydrophobicContact CD2-CD1 4.3Å; Q838-L935 HydrophobicContact CG-CD1 4.02Å; Y931-L935 WeakPolarHBondContact O-CB 3.49Å; Y931-L935 PolarHBondContact O-N 3.3Å; F932-L935 PolarHBondContact O-N 3.3Å; E933-L935 PolarHBondContact O-N 3.11Å; L935-R944 HydrophobicContact CD2-CG 4.32Å
936Q86.6Confident83.9Confident121 Ų12172.5 Ų72.557%0.56536%0.357SS*.Hα-helixtrans-69.6-33.6177.9-174.6174.124.400112.4F932 E933 T934 F938F932-Q936 VanDerWaalsContact O-CB 3.27Å; F932-Q936 WeakPolarHBondContact O-CB 3.5Å; F932-Q936 PolarHBondContact O-N 3.45Å; E933-Q936 PolarHBondContact O-N 2.95Å; T934-Q936 VanDerWaalsContact C-N 3.32Å; T934-Q936 PolarHBondContact O-N 3.1Å; Q936-F938 VanDerWaalsContact C-N 3.33Å; Q936-F938 PolarHBondContact O-N 3.14Å
937Q84.8Confident83.9Confident108 Ų10872.1 Ų72.151%0.50535%0.345SS..Hα-helixtrans-60.9-40.8177.9-171.5177.65.100112E933 T934 R939E933-Q937 PolarHBondContact O-N 3.46Å; T934-Q937 WeakPolarHBondContact O-CB 3.44Å; T934-Q937 PolarHBondContact O-N 2.83Å; Q937-R939 PolarHBondContact O-N 2.84Å
938F80.2Confident83.9Confident9 Ų973 Ų734%0.03935%0.348CS..SBendtrans-90.972.5179.9-56.3-70000111.3L814 G818 L830 L834 T934 Q936 G940L814-F938 HydrophobicContact CB-CE2 3.87Å; L814-F938 HydrophobicContact CB-CZ 4.14Å; L814-F938 HydrophobicContact CD1-CE2 4.42Å; G818-F938 VanDerWaalsContact C-CE1 3.47Å; L830-F938 HydrophobicContact CD2-CB 4.5Å; L830-F938 HydrophobicContact CD2-CD1 3.73Å; L830-F938 HydrophobicContact CD2-CE1 4.25Å; L830-F938 HydrophobicContact CD2-CG 4.11Å; L834-F938 HydrophobicContact CD1-CB 3.96Å; T934-F938 HydrophobicContact CG2-CD2 4.47Å; T934-F938 HydrophobicContact CG2-CE2 4.01Å; T934-F938 WeakPolarHBondContact O-CD2 3.46Å; Q936-F938 VanDerWaalsContact C-N 3.33Å; Q936-F938 PolarHBondContact O-N 3.14Å; F938-G940 PolarHBondContact O-N 2.92Å
939R66.3Low83.8Confident219 Ų21972.8 Ų72.883%0.82635%0.354SS*.  trans-55.3107.2172.4-61.8-168.6-174.5-163.12.6109.9R827 Q937R827-R939 PolarHBondContact NH1-O 3.03Å; Q937-R939 PolarHBondContact O-N 2.84Å
940G62.9Low83.8Confident31 Ų3170.5 Ų70.532%0.3234%0.343SS..  trans-149.8159.8174.400000110.4F938 V942F938-G940 PolarHBondContact O-N 2.92Å; G940-V942 PolarHBondContact O-N 2.99Å
941N64.3Low83.7Confident116 Ų11668.2 Ų68.262%0.6233%0.333SS*.SBendtrans-6837.8175.4-64.23.8000112.2L1022N941-L1022 HydrophobicContact CB-CD1 4.27Å; N941-L1022 WeakPolarHBondContact O-CD1 3.45Å
942V71.2Confident83.6Confident19 Ų1970.9 Ų70.912%0.11535%0.346CS..  trans-94.2108.5174.9-156.80000104.9N831 L834 I835 G940 R944N831-V942 HydrophobicContact CB-CG2 3.7Å; L834-V942 HydrophobicContact CB-CG1 4.35Å; I835-V942 HydrophobicContact CB-CG1 4.45Å; I835-V942 HydrophobicContact CD1-CG1 3.95Å; I835-V942 HydrophobicContact CG1-CG1 3.23Å; G940-V942 PolarHBondContact O-N 2.99Å; V942-R944 PolarHBondContact O-N 3.46Å
943G75.7Confident83.6Confident34 Ų3474.6 Ų74.635%0.35136%0.357SS..  trans-47.8138.6178.900000111.3Q838 L954Q838-G943 PolarHBondContact NE2-O 3.46Å; Q838-G943 PolarHBondContact OE1-O 3.31Å; G943-L954 WeakPolarHBondContact O-CD1 3.39Å
944R84.5Confident83.5Confident158 Ų15870.6 Ų70.660%0.59634%0.34SS*.  trans-90.6105.3177.5-74.1-174.6178-178.8-1.3109.4L935 V942L935-R944 HydrophobicContact CD2-CG 4.32Å; V942-R944 PolarHBondContact O-N 3.46Å
945A87.9Confident83.5Confident9 Ų970.2 Ų70.27%0.07434%0.337CS..  trans-68.6134.5172.200000110.6W842 E950 A951 L954W842-A945 VanDerWaalsContact CE2-O 3.31Å; W842-A945 WeakPolarHBondContact CZ2-O 3.16Å; W842-A945 PolarHBondContact NE1-O 3.47Å; A945-E950 HydrophobicContact CB-CB 3.89Å; A945-A951 HydrophobicContact CB-CB 3.65Å; A945-L954 HydrophobicContact CB-CD1 4Å
946K88.2Confident83.6Confident164 Ų16476 Ų7671%0.71336%0.357SS*.SBendtrans-95.6-11.6174.2-59175.1-178175.10112.8W842 E950W842-K946 WeakPolarHBondContact CH2-O 3.47Å; W842-K946 VanDerWaalsContact CZ2-O 3.3Å; W842-K946 WeakPolarHBondContact CZ2-O 3.41Å; W842-K946 WeakPolarHBondContact CZ3-O 3.36Å; K946-E950 WeakPolarHBondContact CB-OE2 3.32Å; K946-E950 PolarHBondContact N-OE2 2.93Å
947N89.5Confident83.7Confident61 Ų6175.6 Ų75.633%0.32636%0.355SS..SBendtrans-155.9171.7179.856.861000110.8A949 E950 A951N947-A949 VanDerWaalsContact C-N 3.32Å; N947-A949 PolarHBondContact O-N 2.95Å; N947-A949 WeakPolarHBondContact OD1-CB 3.27Å; N947-A949 PolarHBondContact OD1-N 3.49Å; N947-A949 VanDerWaalsContact OD1-N 3.15Å; N947-E950 PolarHBondContact ND2-OE1 3.45Å; N947-E950 PolarHBondContact O-N 3.5Å; N947-E950 WeakPolarHBondContact OD1-CG 3.44Å; N947-E950 PolarHBondContact OD1-N 3.5Å; N947-A951 PolarHBondContact O-N 2.92Å
948F89.1Confident83.9Confident38 Ų3871.3 Ų71.317%0.16734%0.336CS..Hα-helixtrans-62.5-35.5-179.6-177.4-123.1000113.6R839 W842 F843 A951 Q952R839-F948 HydrophobicContact CG-CE2 3.95Å; W842-F948 HydrophobicContact CB-CB 4.03Å; W842-F948 HydrophobicContact CB-CD2 4.15Å; F843-F948 HydrophobicContact CB-CD2 3.98Å; F843-F948 HydrophobicContact CB-CE2 3.56Å; F843-F948 HydrophobicContact CB-CZ 4.17Å; F843-F948 HydrophobicContact CD2-CE1 4.36Å; F843-F948 HydrophobicContact CD2-CE2 4.08Å; F843-F948 AromaticContact CD2-CZ 3.79Å; F843-F948 HydrophobicContact CD2-CZ 3.79Å; F843-F948 HydrophobicContact CG-CE2 4.29Å; F843-F948 HydrophobicContact CG-CZ 4.43Å; F948-A951 PolarHBondContact O-N 3.31Å; F948-Q952 HydrophobicContact CD1-CG 4.5Å; F948-Q952 HydrophobicContact CD2-CG 4.37Å; F948-Q952 HydrophobicContact CE1-CG 4.16Å; F948-Q952 HydrophobicContact CE2-CG 4Å; F948-Q952 HydrophobicContact CZ-CG 3.91Å; F948-Q952 WeakPolarHBondContact O-CG 3.14Å; F948-Q952 PolarHBondContact O-N 3.46Å
949A89.8Confident84.3Confident44 Ų4474.8 Ų74.836%0.36435%0.352SS..Hα-helixtrans-66.4-42.5179.700000111.9N947 Q952 R953N947-A949 VanDerWaalsContact C-N 3.32Å; N947-A949 PolarHBondContact O-N 2.95Å; N947-A949 WeakPolarHBondContact OD1-CB 3.27Å; N947-A949 PolarHBondContact OD1-N 3.49Å; N947-A949 VanDerWaalsContact OD1-N 3.15Å; A949-Q952 PolarHBondContact O-N 2.91Å; A949-R953 WeakPolarHBondContact O-CG 3.47Å; A949-R953 PolarHBondContact O-N 3.22Å
950E92.3Very high85.2Confident59 Ų5967.3 Ų67.328%0.27634%0.338SS..Hα-helixtrans-63.3-42.6172.6-75.2169.8-149.600111.6A945 K946 N947 Q952 R953 L954A945-E950 HydrophobicContact CB-CB 3.89Å; K946-E950 WeakPolarHBondContact CB-OE2 3.32Å; K946-E950 PolarHBondContact N-OE2 2.93Å; N947-E950 PolarHBondContact ND2-OE1 3.45Å; N947-E950 PolarHBondContact O-N 3.5Å; N947-E950 WeakPolarHBondContact OD1-CG 3.44Å; N947-E950 PolarHBondContact OD1-N 3.5Å; E950-Q952 VanDerWaalsContact C-N 3.32Å; E950-Q952 PolarHBondContact O-N 2.99Å; E950-R953 WeakPolarHBondContact O-CB 3.13Å; E950-R953 PolarHBondContact O-N 2.9Å; E950-R953 VanDerWaalsContact O-N 3.12Å; E950-L954 WeakPolarHBondContact O-CG 3.39Å; E950-L954 PolarHBondContact O-N 2.88Å
951A90.2Very high86.2Confident0 Ų073.5 Ų73.50%035%0.351CS..Hα-helixtrans-63.1-39177.100000112R839 W842 A945 N947 F948 L954 V955R839-A951 HydrophobicContact CB-CB 4.36Å; W842-A951 HydrophobicContact CB-CB 4.21Å; W842-A951 HydrophobicContact CG-CB 4.32Å; A945-A951 HydrophobicContact CB-CB 3.65Å; N947-A951 PolarHBondContact O-N 2.92Å; F948-A951 PolarHBondContact O-N 3.31Å; A951-L954 PolarHBondContact O-N 2.95Å; A951-V955 PolarHBondContact O-N 2.88Å
952Q91Very high87Confident57 Ų5770.6 Ų70.627%0.26634%0.34SS..Hα-helixtrans-64.7-39.9171.9-75.7-170.6-13.300112.4F948 A949 E950 V955 R956F948-Q952 HydrophobicContact CD1-CG 4.5Å; F948-Q952 HydrophobicContact CD2-CG 4.37Å; F948-Q952 HydrophobicContact CE1-CG 4.16Å; F948-Q952 HydrophobicContact CE2-CG 4Å; F948-Q952 HydrophobicContact CZ-CG 3.91Å; F948-Q952 WeakPolarHBondContact O-CG 3.14Å; F948-Q952 PolarHBondContact O-N 3.46Å; A949-Q952 PolarHBondContact O-N 2.91Å; E950-Q952 VanDerWaalsContact C-N 3.32Å; E950-Q952 PolarHBondContact O-N 2.99Å; Q952-V955 PolarHBondContact O-N 3.31Å; Q952-R956 WeakPolarHBondContact O-CG 3.37Å; Q952-R956 PolarHBondContact O-N 3.47Å
953R91.8Very high87.5Confident162 Ų16274.9 Ų74.961%0.61136%0.361SS*.Hα-helixtrans-61.7-43.7176-74.9179.5-174.2123.9-1.8111.6A949 E950 V955 R956 H957A949-R953 WeakPolarHBondContact O-CG 3.47Å; A949-R953 PolarHBondContact O-N 3.22Å; E950-R953 WeakPolarHBondContact O-CB 3.13Å; E950-R953 PolarHBondContact O-N 2.9Å; E950-R953 VanDerWaalsContact O-N 3.12Å; R953-V955 VanDerWaalsContact C-N 3.32Å; R953-V955 PolarHBondContact O-N 3.39Å; R953-R956 PolarHBondContact O-N 3.28Å; R953-H957 WeakPolarHBondContact O-CB 3.31Å; R953-H957 PolarHBondContact O-N 3.13Å
954L89.9Confident87.7Confident44 Ų4476.7 Ų76.723%0.2337%0.366CS..Hα-helixtrans-58.5-43.9175.8-69.3173.7000111.9I835 G943 A945 E950 A951 L958I835-L954 HydrophobicContact CG2-CB 3.86Å; G943-L954 WeakPolarHBondContact O-CD1 3.39Å; A945-L954 HydrophobicContact CB-CD1 4Å; E950-L954 WeakPolarHBondContact O-CG 3.39Å; E950-L954 PolarHBondContact O-N 2.88Å; A951-L954 PolarHBondContact O-N 2.95Å; L954-L958 WeakPolarHBondContact O-CB 3.1Å; L954-L958 PolarHBondContact O-N 3.47Å
955V89Confident87.5Confident2 Ų275.8 Ų75.81%0.01236%0.363CS..Hα-helixtrans-65.4-45.8176.61740000111.6I835 Y836 R839 A951 Q952 R953 H957 L958 E959I835-V955 HydrophobicContact CG2-CB 4.39Å; I835-V955 HydrophobicContact CG2-CG2 3.64Å; Y836-V955 HydrophobicContact CD1-CG1 4.09Å; Y836-V955 HydrophobicContact CD1-CG2 4.04Å; Y836-V955 HydrophobicContact CE1-CG1 3.52Å; Y836-V955 HydrophobicContact CE1-CG2 4.27Å; R839-V955 HydrophobicContact CB-CG2 3.93Å; R839-V955 HydrophobicContact CG-CG2 4.43Å; A951-V955 PolarHBondContact O-N 2.88Å; Q952-V955 PolarHBondContact O-N 3.31Å; R953-V955 VanDerWaalsContact C-N 3.32Å; R953-V955 PolarHBondContact O-N 3.39Å; V955-H957 VanDerWaalsContact C-N 3.32Å; V955-H957 PolarHBondContact O-N 3.39Å; V955-L958 WeakPolarHBondContact O-CB 3.48Å; V955-L958 PolarHBondContact O-N 3.39Å; V955-E959 HydrophobicContact CG1-CG 4.16Å; V955-E959 WeakPolarHBondContact CG1-OE1 3.31Å; V955-E959 WeakPolarHBondContact O-CB 3.31Å; V955-E959 WeakPolarHBondContact O-CG 3.02Å; V955-E959 PolarHBondContact O-N 2.87Å
956R90Very high86.9Confident140 Ų14079.9 Ų79.953%0.52838%0.383SS..Hα-helixtrans-60.3-41.7178.1-72-177.2-168.5111.85.1111.9Q952 R953 E959 A960Q952-R956 WeakPolarHBondContact O-CG 3.37Å; Q952-R956 PolarHBondContact O-N 3.47Å; R953-R956 PolarHBondContact O-N 3.28Å; R956-E959 PolarHBondContact O-N 2.88Å; R956-A960 VanDerWaalsContact O-CB 3.28Å; R956-A960 WeakPolarHBondContact O-CB 3.3Å; R956-A960 PolarHBondContact O-N 3.35Å
957H89.6Confident86.4Confident113 Ų11374.4 Ų74.452%0.52337%0.369SS..Hα-helixtrans-63-45.4176.3179.386.1000111.6R953 V955 A960 R961R953-H957 WeakPolarHBondContact O-CB 3.31Å; R953-H957 PolarHBondContact O-N 3.13Å; V955-H957 VanDerWaalsContact C-N 3.32Å; V955-H957 PolarHBondContact O-N 3.39Å; H957-A960 PolarHBondContact O-N 3.4Å; H957-R961 PolarHBondContact O-N 2.86Å
958L87.9Confident85.8Confident19 Ų1979.7 Ų79.710%0.09938%0.384CS..Hα-helixtrans-60.3-47.3175.5173.367.3000112.3I832 I835 Y836 L954 V955 R961 C962I832-L958 HydrophobicContact CG1-CD1 4.06Å; I832-L958 HydrophobicContact CG2-CD2 4.01Å; I835-L958 HydrophobicContact CB-CD2 4.1Å; I835-L958 HydrophobicContact CD1-CB 4.3Å; I835-L958 HydrophobicContact CD1-CD1 4.32Å; I835-L958 HydrophobicContact CD1-CD2 3.88Å; I835-L958 HydrophobicContact CD1-CG 4.4Å; I835-L958 HydrophobicContact CG2-CD2 4.03Å; Y836-L958 HydrophobicContact CD2-CD2 4.33Å; Y836-L958 HydrophobicContact CE2-CD2 3.74Å; L954-L958 WeakPolarHBondContact O-CB 3.1Å; L954-L958 PolarHBondContact O-N 3.47Å; V955-L958 WeakPolarHBondContact O-CB 3.48Å; V955-L958 PolarHBondContact O-N 3.39Å; L958-R961 PolarHBondContact O-N 2.95Å; L958-C962 PolarHBondContact O-N 3.26Å; L958-C962 PolarHBondContact O-SG 2.93Å
959E88.2Confident84.8Confident82 Ų8281.4 Ų81.438%0.38340%0.395SS..Hα-helixtrans-64.4-42.5179.4-75174176.500111.5Y836 V955 R956 R961 C962 L963Y836-E959 WeakPolarHBondContact OH-CG 3.39Å; Y836-E959 PolarHBondContact OH-OE1 3Å; Y836-E959 VanDerWaalsContact OH-OE1 3.04Å; V955-E959 HydrophobicContact CG1-CG 4.16Å; V955-E959 WeakPolarHBondContact CG1-OE1 3.31Å; V955-E959 WeakPolarHBondContact O-CB 3.31Å; V955-E959 WeakPolarHBondContact O-CG 3.02Å; V955-E959 PolarHBondContact O-N 2.87Å; R956-E959 PolarHBondContact O-N 2.88Å; E959-R961 VanDerWaalsContact C-N 3.3Å; E959-R961 PolarHBondContact O-N 3.31Å; E959-C962 CarbonylContact O-C 3.42Å; E959-C962 PolarHBondContact O-N 2.91Å; E959-C962 VanDerWaalsContact O-N 3.1Å; E959-L963 WeakPolarHBondContact O-CB 3.32Å; E959-L963 PolarHBondContact O-N 2.98Å
960A86Confident84.1Confident62 Ų6283.9 Ų83.951%0.51240%0.397SS..Hα-helixtrans-58.7-40.4173.900000112R956 H957 C962 L963 P964R956-A960 VanDerWaalsContact O-CB 3.28Å; R956-A960 WeakPolarHBondContact O-CB 3.3Å; R956-A960 PolarHBondContact O-N 3.35Å; H957-A960 PolarHBondContact O-N 3.4Å; A960-C962 VanDerWaalsContact C-N 3.33Å; A960-C962 PolarHBondContact O-N 2.91Å; A960-L963 PolarHBondContact O-N 3.46Å; A960-P964 VanDerWaalsContact O-CD 3.3Å; A960-P964 WeakPolarHBondContact O-CD 3.42Å
961R83.1Confident83.3Confident160 Ų16083.8 Ų83.860%0.60441%0.407SS*.Hα-helixtrans-68.1-31.6175.9-168.2175.7-179172.72.9112.7H957 L958 E959H957-R961 PolarHBondContact O-N 2.86Å; L958-R961 PolarHBondContact O-N 2.95Å; E959-R961 VanDerWaalsContact C-N 3.3Å; E959-R961 PolarHBondContact O-N 3.31Å
962C82.1Confident82.4Confident56 Ų5689.1 Ų89.138%0.37844%0.439SS..Hα-helixtrans-86-21.1180-64.30000113.3L958 E959 A960 R965 L966L958-C962 PolarHBondContact O-N 3.26Å; L958-C962 PolarHBondContact O-SG 2.93Å; E959-C962 CarbonylContact O-C 3.42Å; E959-C962 PolarHBondContact O-N 2.91Å; E959-C962 VanDerWaalsContact O-N 3.1Å; A960-C962 VanDerWaalsContact C-N 3.33Å; A960-C962 PolarHBondContact O-N 2.91Å; C962-R965 WeakPolarHBondContact O-CA 3.19Å; C962-R965 WeakPolarHBondContact O-CB 3.36Å; C962-R965 PolarHBondContact O-N 3.31Å; C962-L966 PolarHBondContact O-N 3.46Å
963L82.4Confident81.3Confident109 Ų10993 Ų9357%0.57145%0.452SS*.Hα-helixtrans-55.6-46.5-175.4-139.4158.7000113E959 A960 R965 L966 A967E959-L963 WeakPolarHBondContact O-CB 3.32Å; E959-L963 PolarHBondContact O-N 2.98Å; A960-L963 PolarHBondContact O-N 3.46Å; L963-R965 VanDerWaalsContact C-N 3.26Å; L963-R965 PolarHBondContact O-N 3.5Å; L963-L966 PolarHBondContact O-N 3.02Å; L963-A967 WeakPolarHBondContact O-CB 3.47Å; L963-A967 PolarHBondContact O-N 2.89Å
964P79.9Confident80.1Confident71 Ų7188 Ų8846%0.46145%0.452SS..Hα-helixtrans-63.6-30.5176.5-22.333.7000113.4A960 R968A960-P964 VanDerWaalsContact O-CD 3.3Å; A960-P964 WeakPolarHBondContact O-CD 3.42Å; P964-R968 WeakPolarHBondContact O-CB 3.38Å; P964-R968 WeakPolarHBondContact O-CG 3.43Å; P964-R968 PolarHBondContact O-N 3.08Å; P964-R968 VanDerWaalsContact O-N 3.15Å; P964-R968 PolarHBondContact O-NE 3.36Å; P964-R968 VanDerWaalsContact O-NE 3.16Å
965R78.7Confident78.6Confident140 Ų14091.8 Ų91.853%0.52847%0.471SS..Hα-helixtrans-74.6-42.5175.5-178.9-178.7163.3106.13.2110.7C962 L963 R968 L969 E1014C962-R965 WeakPolarHBondContact O-CA 3.19Å; C962-R965 WeakPolarHBondContact O-CB 3.36Å; C962-R965 PolarHBondContact O-N 3.31Å; L963-R965 VanDerWaalsContact C-N 3.26Å; L963-R965 PolarHBondContact O-N 3.5Å; R965-R968 PolarHBondContact O-N 2.87Å; R965-L969 WeakPolarHBondContact O-CB 3.37Å; R965-L969 PolarHBondContact O-N 3.2Å; R965-E1014 IonicContact NH1-OE1 2.82Å; R965-E1014 PolarHBondContact NH1-OE1 3.26Å
966L76.1Confident76.9Confident94 Ų9495.5 Ų95.549%0.49249%0.494SS..Hα-helixtrans-63.5-42.7175.5-178.863.9000111.7C962 L963 L969 K970C962-L966 PolarHBondContact O-N 3.46Å; L963-L966 PolarHBondContact O-N 3.02Å; L966-L969 PolarHBondContact O-N 3.02Å; L966-K970 WeakPolarHBondContact O-CG 3.34Å; L966-K970 PolarHBondContact O-N 3.35Å
967A77Confident74.9Confident50 Ų5092.2 Ų92.241%0.41349%0.493SS..Hα-helixtrans-60.8-45.4175.600000111.4L963 L969 K970 A971L963-A967 WeakPolarHBondContact O-CB 3.47Å; L963-A967 PolarHBondContact O-N 2.89Å; A967-L969 PolarHBondContact O-N 3.3Å; A967-K970 PolarHBondContact O-N 3.24Å; A967-A971 WeakPolarHBondContact O-CB 3.02Å; A967-A971 PolarHBondContact O-N 3.44Å
968R76.9Confident72.8Confident171 Ų17195.9 Ų95.965%0.64551%0.51SS*.Hα-helixtrans-58.1-47.3172-81-178-79.2178.3-5.9111.7P964 R965 K970 A971 T972P964-R968 WeakPolarHBondContact O-CB 3.38Å; P964-R968 WeakPolarHBondContact O-CG 3.43Å; P964-R968 PolarHBondContact O-N 3.08Å; P964-R968 VanDerWaalsContact O-N 3.15Å; P964-R968 PolarHBondContact O-NE 3.36Å; P964-R968 VanDerWaalsContact O-NE 3.16Å; R965-R968 PolarHBondContact O-N 2.87Å; R968-K970 PolarHBondContact O-N 3.48Å; R968-A971 WeakPolarHBondContact O-CB 3.34Å; R968-A971 PolarHBondContact O-N 2.89Å; R968-T972 PolarHBondContact O-N 3.24Å; R968-T972 PolarHBondContact O-OG1 3.44Å
969L69Low70.8Confident74 Ų7499.9 Ų99.939%0.38754%0.54SS..Hα-helixtrans-62.4-44-179.8-148.980.4000111.9R965 L966 A967 A971 T972 Y973R965-L969 WeakPolarHBondContact O-CB 3.37Å; R965-L969 PolarHBondContact O-N 3.2Å; L966-L969 PolarHBondContact O-N 3.02Å; A967-L969 PolarHBondContact O-N 3.3Å; L969-A971 VanDerWaalsContact C-N 3.31Å; L969-A971 PolarHBondContact O-N 3.04Å; L969-T972 PolarHBondContact O-N 3.45Å; L969-Y973 HydrophobicContact CD1-CE2 4.16Å; L969-Y973 HydrophobicContact CD2-CE2 4.25Å; L969-Y973 HydrophobicContact CG-CD2 3.98Å; L969-Y973 HydrophobicContact CG-CE2 3.78Å; L969-Y973 WeakPolarHBondContact O-CD2 3.48Å; L969-Y973 PolarHBondContact O-N 3.14Å
970K75.5Confident68.3Low97 Ų97104 Ų10442%0.42256%0.559SS.*Hα-helixtrans-59.6-42.2174.3-75.9-176.9177.8-174.30111.4L966 A967 R968 Y973 G974 L975L966-K970 WeakPolarHBondContact O-CG 3.34Å; L966-K970 PolarHBondContact O-N 3.35Å; A967-K970 PolarHBondContact O-N 3.24Å; R968-K970 PolarHBondContact O-N 3.48Å; K970-Y973 PolarHBondContact O-N 3.23Å; K970-G974 PolarHBondContact O-N 2.86Å; K970-L975 HydrophobicContact CB-CB 4.3Å; K970-L975 HydrophobicContact CG-CB 4.42Å; K970-L975 PolarHBondContact O-N 3.36Å
971A74.3Confident65.8Low57 Ų57107.6 Ų107.647%0.47157%0.57SS.*Hα-helixtrans-64.5-41.8175.300000112.1A967 R968 L969 Y973 G974 T976A967-A971 WeakPolarHBondContact O-CB 3.02Å; A967-A971 PolarHBondContact O-N 3.44Å; R968-A971 WeakPolarHBondContact O-CB 3.34Å; R968-A971 PolarHBondContact O-N 2.89Å; L969-A971 VanDerWaalsContact C-N 3.31Å; L969-A971 PolarHBondContact O-N 3.04Å; A971-Y973 VanDerWaalsContact C-N 3.33Å; A971-Y973 PolarHBondContact O-N 3.16Å; A971-G974 PolarHBondContact O-N 3.31Å; A971-T976 HydrophobicContact CB-CG2 3.96Å
972T72.2Confident63.6Low112 Ų112105.7 Ų105.769%0.68758%0.575SS**Hα-helixtrans-61.5-39.7177-520000112.3R968 L969 G974R968-T972 PolarHBondContact O-N 3.24Å; R968-T972 PolarHBondContact O-OG1 3.44Å; L969-T972 PolarHBondContact O-N 3.45Å; T972-G974 VanDerWaalsContact C-N 3.33Å
973Y68Low61.1Low137 Ų137112 Ų11254%0.53760%0.6SS.*THydrogen-bonded Turntrans-89.18.2179-70.4-71.4000114L969 K970 A971 L975L969-Y973 HydrophobicContact CD1-CE2 4.16Å; L969-Y973 HydrophobicContact CD2-CE2 4.25Å; L969-Y973 HydrophobicContact CG-CD2 3.98Å; L969-Y973 HydrophobicContact CG-CE2 3.78Å; L969-Y973 WeakPolarHBondContact O-CD2 3.48Å; L969-Y973 PolarHBondContact O-N 3.14Å; K970-Y973 PolarHBondContact O-N 3.23Å; A971-Y973 VanDerWaalsContact C-N 3.33Å; A971-Y973 PolarHBondContact O-N 3.16Å; Y973-L975 PolarHBondContact O-N 2.81Å; Y973-L975 VanDerWaalsContact O-N 3.16Å
974G66.1Low58.6Low58 Ų58113.9 Ų113.960%0.59861%0.61SS**THydrogen-bonded Turntrans62.619.3-178.100000114.1K970 A971 T972 T976K970-G974 PolarHBondContact O-N 2.86Å; A971-G974 PolarHBondContact O-N 3.31Å; T972-G974 VanDerWaalsContact C-N 3.33Å; G974-T976 PolarHBondContact O-N 3.17Å
975L59.4Low56.1Low123 Ų123114.3 Ų114.364%0.64463%0.627SS**  trans-85.39.7177.3-66.3173000112.4K970 Y973 S977K970-L975 HydrophobicContact CB-CB 4.3Å; K970-L975 HydrophobicContact CG-CB 4.42Å; K970-L975 PolarHBondContact O-N 3.36Å; Y973-L975 PolarHBondContact O-N 2.81Å; Y973-L975 VanDerWaalsContact O-N 3.16Å; L975-S977 PolarHBondContact O-N 3.22Å; L975-S977 VanDerWaalsContact O-N 3.08Å
976T52.7Low53.5Low81 Ų81111.1 Ų111.150%0.49764%0.638SS.*  trans-72.396.9166.250.30000107.5A971 G974 E978A971-T976 HydrophobicContact CB-CG2 3.96Å; G974-T976 PolarHBondContact O-N 3.17Å; T976-E978 PolarHBondContact O-N 3.18Å
977S48Very low51.2Low70 Ų70115.4 Ų115.449%0.4966%0.655SS.*  trans-55.6124.4162.249.90000107.5L975 S979L975-S977 PolarHBondContact O-N 3.22Å; L975-S977 VanDerWaalsContact O-N 3.08Å; S977-S979 PolarHBondContact O-N 2.97Å
978E46.1Very low48.9Very low190 Ų190120.2 Ų120.289%0.88867%0.674SS**G310 helixtrans-581.6173-68.7-175.8152.300113.2T976T976-E978 PolarHBondContact O-N 3.18Å
979S44.6Very low46.5Very low103 Ų103120.7 Ų120.772%0.7269%0.688SS**G310 helixtrans-81.4-8.5-177.7-34.80000115.4S977S977-S979 PolarHBondContact O-N 2.97Å
980E37Very low44.7Very low169 Ų169126.9 Ų126.979%0.7971%0.712SS**G310 helixtrans-90-3.8178.5-74-166.4177.100114.1
981N33.8Very low42.4Very low138 Ų138129.9 Ų129.974%0.73873%0.731SS**SBendtrans-122133.5166-73.3-40.9000108.5
982V36.4Very low40.3Very low120 Ų120135.3 Ų135.373%0.72775%0.751SS**  trans93.663.8173.4-159.70000115N984V982-N984 HydrophobicContact CG1-CB 4.32Å; V982-N984 WeakPolarHBondContact CG1-O 3.39Å; V982-N984 PolarHBondContact O-N 2.93Å; V982-N984 VanDerWaalsContact O-N 3.16Å
983E28.8Very low38Very low189 Ų189135 Ų13588%0.88375%0.754SS**  -6093.8123-77.3-175.3159.100107.2
984N30.5Very low36.2Very low148 Ų148137.5 Ų137.579%0.79177%0.77SS**SBendtrans170.6112.5150.6-89.5-31.8000111.4V982V982-N984 HydrophobicContact CG1-CB 4.32Å; V982-N984 WeakPolarHBondContact CG1-O 3.39Å; V982-N984 PolarHBondContact O-N 2.93Å; V982-N984 VanDerWaalsContact O-N 3.16Å
985G27.4Very low34.3Very low80 Ų80140.9 Ų140.983%0.82579%0.785SS**  trans96.794.7155.400000115
986G23.6Very low32.8Very low72 Ų72144.4 Ų144.474%0.74280%0.795SS**  trans-69.6135.3164.600000111.6
987Q28.4Very low31.6Very low184 Ų184146.1 Ų146.186%0.8681%0.81SS**  trans-167.9128.3147.9-106.21517.200110
988D29.2Very low30.9Very low152 Ų152150.6 Ų150.681%0.81383%0.828SS**  trans69.194.2154-60.5-17.7000120.2K990D988-K990 PolarHBondContact O-N 3.38Å
989L25.7Very low29.9Very low181 Ų181152.1 Ų152.195%0.94883%0.825SS**  trans-56.3117.6147.8-7993.7000110.4
990K30.2Very low29.3Very low203 Ų203152.9 Ų152.988%0.88383%0.828SS**  trans-144.5123.2152.6-107.2174.6-173.3172.30111.3D988D988-K990 PolarHBondContact O-N 3.38Å
991I27.2Very low29.1Very low160 Ų160150.7 Ų150.782%0.82183%0.826SS**  trans-48.5128178.6-62.6150.9000112.5
992L30.5Very low28.8Very low172 Ų172146.3 Ų146.390%0.90181%0.814SS**  trans-133.9117.4149.1-77.5178.2000109.7
993S25.3Very low28.6Very low105 Ų105147.5 Ų147.573%0.73482%0.824SS**  trans-68.1116.8168.148.50000110.7
994E29.6Very low28.7Very low190 Ų190142.4 Ų142.489%0.88882%0.822SS**  trans-148.7101.1153.3-115176.2-156.900109.6K996E994-K996 PolarHBondContact O-N 3.03Å
995S25.4Very low28.4Very low128 Ų128142.4 Ų142.490%0.89582%0.817SS**  trans-68.684.9176.128.40000110.6S997S995-S997 PolarHBondContact O-N 3.12Å
996K28.3Very low28.4Very low197 Ų197147.1 Ų147.186%0.85782%0.82SS**  trans-82.1103.6159.1-106.3174.1-179.1170.50108.7E994 L998E994-K996 PolarHBondContact O-N 3.03Å; K996-L998 PolarHBondContact O-N 2.96Å
997S28.3Very low28.4Very low117 Ų117149.7 Ų149.782%0.81882%0.816SS**  trans-42.1107.4172.5175.90000111.1S995 R999S995-S997 PolarHBondContact O-N 3.12Å; S997-R999 PolarHBondContact O-N 2.85Å
998L32Very low28.2Very low165 Ų165147 Ų14786%0.86481%0.813SS**  trans-66.7111.9162.9-75.7156.2000106.4K996K996-L998 PolarHBondContact O-N 2.96Å
999R25.3Very low28.2Very low222 Ų222145.8 Ų145.884%0.83881%0.805SS**  trans-59.6124.7173.6-161.3176.6-159.3-166.63.7107.5S997 T1001S997-R999 PolarHBondContact O-N 2.85Å; R999-T1001 PolarHBondContact O-N 3.1Å
1000P31.6Very low28.2Very low118 Ų118143 Ų14377%0.76680%0.795SS**  trans-70.5102.31770.114.6000106.9G1002P1000-G1002 VanDerWaalsContact C-N 3.27Å; P1000-G1002 PolarHBondContact O-N 3.04Å
1001T33.8Very low28.2Very low123 Ų123140.8 Ų140.876%0.75579%0.788SS**  trans-72.294.1165.250.80000106.3R999R999-T1001 PolarHBondContact O-N 3.1Å
1002G26.5Very low28.2Very low47 Ų47141.7 Ų141.749%0.48579%0.789SS.*  trans-52.7148.9166.500000109.9P1000 G1004P1000-G1002 VanDerWaalsContact C-N 3.27Å; P1000-G1002 PolarHBondContact O-N 3.04Å; G1002-G1004 PolarHBondContact O-N 3.16Å
1003P33.2Very low28Very low145 Ų145138.1 Ų138.194%0.94278%0.784SS**THydrogen-bonded Turntrans-64.1105.2-177.726.8-31000108.4
1004G30.6Very low28.3Very low81 Ų81139.6 Ų139.684%0.83578%0.78SS**THydrogen-bonded Turntrans150.4-14174.400000117.3G1002G1002-G1004 PolarHBondContact O-N 3.16Å
1005H24.6Very low28.1Very low149 Ų149138.5 Ų138.569%0.6978%0.775SS**  trans-110.794178.9-154.463.2000111.4D1007H1005-D1007 IonicContact CD2-OD1 2.82Å; H1005-D1007 IonicContact NE2-OD1 2.76Å
1006M26.3Very low28.3Very low179 Ų179141.6 Ų141.688%0.88278%0.775SS**  trans-92.3112.8163.1-87.8-88.1172.600107.2T1008M1006-T1008 PolarHBondContact O-N 3.17Å
1007D23.6Very low28.3Very low126 Ų126138.4 Ų138.467%0.67477%0.767SS**  trans-52.6126.7165.4-75.2-42.7000108.2H1005 I1009H1005-D1007 IonicContact CD2-OD1 2.82Å; H1005-D1007 IonicContact NE2-OD1 2.76Å; D1007-I1009 PolarHBondContact O-N 3.01Å
1008T26Very low28.4Very low128 Ų128141.3 Ų141.379%0.78577%0.768SS**  trans-52.6113.3170.445.90000107.4M1006 T1010M1006-T1008 PolarHBondContact O-N 3.17Å; T1008-T1010 VanDerWaalsContact C-N 3.31Å; T1008-T1010 PolarHBondContact O-N 2.97Å
1009I27.5Very low28.3Very low125 Ų125141.2 Ų141.264%0.64177%0.768SS**  trans-54103.7171.7-63.9171.5000105.9D1007 E1011D1007-I1009 PolarHBondContact O-N 3.01Å; I1009-E1011 PolarHBondContact O-N 3.2Å; I1009-E1011 VanDerWaalsContact O-N 3.09Å
1010T25.5Very low28.8Very low123 Ų123134 Ų13476%0.75575%0.746SS**  trans-50.7118173.65.80000106.9T1008 E1012T1008-T1010 VanDerWaalsContact C-N 3.31Å; T1008-T1010 PolarHBondContact O-N 2.97Å; T1010-E1012 VanDerWaalsContact C-N 3.29Å; T1010-E1012 PolarHBondContact O-N 3.21Å
1011E31.4Very low28.6Very low157 Ų157136.3 Ų136.373%0.73475%0.746SS**  trans-62.790.7179.1-63.6-170.7128.700108.6K825 I1009 A1013K825-E1011 IonicContact NZ-OE1 3.97Å; K825-E1011 PolarHBondContact NZ-OE1 3.31Å; I1009-E1011 PolarHBondContact O-N 3.2Å; I1009-E1011 VanDerWaalsContact O-N 3.09Å; E1011-A1013 PolarHBondContact O-N 3.34Å
1012E26.8Very low28.5Very low179 Ų179134.1 Ų134.184%0.83673%0.729SS**  trans-62.4119.9160.1-71.2-170169.200106.9T1010 E1014T1010-E1012 VanDerWaalsContact C-N 3.29Å; T1010-E1012 PolarHBondContact O-N 3.21Å; E1012-E1014 PolarHBondContact O-N 2.89Å
1013A27.6Very low28.7Very low97 Ų97137.8 Ų137.880%0.80274%0.738SS**  trans-5793.2-177.800000110.5E1011 Q1015E1011-A1013 PolarHBondContact O-N 3.34Å; A1013-Q1015 PolarHBondContact O-N 3.22Å
1014E30.4Very low28.7Very low135 Ų135138.3 Ų138.363%0.63173%0.733SS**  trans-70.6102.8166-74.1-179.4-17600107.2R965 E1012 E1016R965-E1014 IonicContact NH1-OE1 2.82Å; R965-E1014 PolarHBondContact NH1-OE1 3.26Å; E1012-E1014 PolarHBondContact O-N 2.89Å; E1014-E1016 PolarHBondContact O-N 3.5Å
1015Q26.5Very low28.7Very low168 Ų168141.2 Ų141.279%0.78573%0.729SS**  trans-40.5127.9168.7-93.2156.2-39.100110.9A1013 N1017A1013-Q1015 PolarHBondContact O-N 3.22Å; Q1015-N1017 PolarHBondContact O-N 3.44Å
1016E27.9Very low29Very low193 Ų193142.5 Ų142.590%0.90274%0.735SS**SBendtrans-58.882.1167.1-65.1174.3155.700109.7E1014E1014-E1016 PolarHBondContact O-N 3.5Å
1017N29.1Very low29.3Very low130 Ų130145 Ų14570%0.69574%0.737SS**  trans-144.1133.8168.5-80.9-44.2000109.5Q1015Q1015-N1017 PolarHBondContact O-N 3.44Å
1018E30.2Very low29.5Very low177 Ų177144.2 Ų144.283%0.82774%0.741SS**  trans81.884.8169-57.8177.3-167.500115.1
1019D30Very low29.7Very low163 Ų163145.8 Ų145.887%0.87274%0.742SS**  trans-44.7140.5150.5-76.9-44.9000110.5Q1021D1019-Q1021 VanDerWaalsContact C-N 3.3Å; D1019-Q1021 PolarHBondContact O-N 3.09Å
1020I36Very low30Very low72 Ų72146.6 Ų146.637%0.36975%0.747SS.*  trans-72.185.9-172.1-58.4164.9000108.5L1022I1020-L1022 HydrophobicContact CG2-CG 4.31Å; I1020-L1022 PolarHBondContact O-N 3.23Å
1021Q27.1Very low30.2Very low165 Ų165149.5 Ų149.577%0.77175%0.752SS**  trans-78.1100.7161.9-160.3155.8-1000106D1019 D1023D1019-Q1021 VanDerWaalsContact C-N 3.3Å; D1019-Q1021 PolarHBondContact O-N 3.09Å; Q1021-D1023 PolarHBondContact O-N 2.9Å
1022L31.3Very low30.2Very low77 Ų77149.5 Ų149.540%0.40376%0.757SS.*  trans-74.2112.5157.5-74.7168.8000103.5N941 I1020 D1024N941-L1022 HydrophobicContact CB-CD1 4.27Å; N941-L1022 WeakPolarHBondContact O-CD1 3.45Å; I1020-L1022 HydrophobicContact CG2-CG 4.31Å; I1020-L1022 PolarHBondContact O-N 3.23Å; L1022-D1024 PolarHBondContact O-N 2.9Å
1023D31.2Very low30.6Very low125 Ų125146 Ų14667%0.66875%0.753SS**  trans-53.4115.5175.6-67.6-37.4000108.3Q1021 D1025Q1021-D1023 PolarHBondContact O-N 2.9Å; D1023-D1025 PolarHBondContact O-N 3.17Å; D1023-D1025 VanDerWaalsContact O-N 3.16Å
1024D33.4Very low30.9Very low155 Ų155148.4 Ų148.483%0.82975%0.752SS**  trans-71.66.9172.3-75.2-40.6000111.5L1022 E1026L1022-D1024 PolarHBondContact O-N 2.9Å; D1024-E1026 PolarHBondContact O-N 3.35Å
1025D31Very low31Very low143 Ų143149.9 Ų149.977%0.76576%0.763SS**THydrogen-bonded Turntrans-98.919.9-161-69.9-24.5000116D1023D1023-D1025 PolarHBondContact O-N 3.17Å; D1023-D1025 VanDerWaalsContact O-N 3.16Å
1026E30.3Very low31.3Very low175 Ų175149 Ų14982%0.81876%0.764SS**THydrogen-bonded Turntrans-123.121175.7-139.5179.9-170.200116.4D1024D1024-E1026 PolarHBondContact O-N 3.35Å
1027Y32.9Very low31.4Very low231 Ų231147.3 Ų147.391%0.90676%0.761SS**  trans-136.361.4160.3-73.9-77.6000111.7
1028S26.8Very low31.6Very low111 Ų111149.6 Ų149.678%0.77677%0.768SS**  trans-78.8110.2147.61490000106.9
1029M31.6Very low31.7Very low160 Ų160148.3 Ų148.379%0.78877%0.766SS**  trans176.1134.2135.5-94.8-178.29800110.5
1030D33.2Very low31.7Very low142 Ų142150 Ų15076%0.75977%0.769SS**  trans8659.9163.7-45.5-21.7000116.3
1031E29.1Very low31.5Very low184 Ų184155.4 Ų155.486%0.8679%0.793SS**  trans-61.6120.6134.9-67.3-170.1166.700107.6
1032D33.1Very low31.7Very low158 Ų158153 Ų15385%0.84579%0.792SS**  trans173.786.4153.1-85.8-19.6000109.3
1033S34.8Very low31.6Very low105 Ų105153.3 Ų153.373%0.73481%0.813SS**  trans-164.484.6145.8430000109.6L1035S1033-L1035 PolarHBondContact O-N 2.8Å
1034D32.9Very low31.3Very low148 Ų148155.7 Ų155.779%0.79182%0.82SS**  trans19.988.9138.6-52.3-30000115.5
1035L33.1Very low30.9Very low165 Ų165153.6 Ų153.686%0.86481%0.813SS**  trans-104.696.2154.5-72.3177.9000106.6S1033 D1037S1033-L1035 PolarHBondContact O-N 2.8Å; L1035-D1037 PolarHBondContact O-N 2.89Å
1036D33.5Very low30.8Very low151 Ų151155.1 Ų155.181%0.80782%0.815SS**  trans-60.9121168.2-72.1-47.1000109.3E1038D1036-E1038 PolarHBondContact O-N 2.8Å
1037D28Very low30.5Very low156 Ų156152.1 Ų152.183%0.83481%0.814SS**  trans-66.8117.8167.1-68.4-55.7000109.7L1035L1035-D1037 PolarHBondContact O-N 2.89Å
1038E34.6Very low30.3Very low178 Ų178146.5 Ų146.583%0.83281%0.808SS**  trans-124.793.1160.9-77.5-104.4162.400108.4D1036D1036-E1038 PolarHBondContact O-N 2.8Å
1039D31.1Very low30.2Very low150 Ų150150.5 Ų150.580%0.80282%0.815SS**  trans27100.8139.5-59.7-36.6000119.1
1040E31.3Very low30Very low198 Ų198154.6 Ų154.693%0.92582%0.821SS**  trans-115.8109.6147-81.2-156.3171.200110.6
1041E30.6Very low29.6Very low187 Ų187159 Ų15987%0.87483%0.827SS**PPolyproline II helixtrans-70.6162.6172.7-100.7-148.3174.500113.5
1042P31.2Very low29.5Very low115 Ų115158.8 Ų158.875%0.74783%0.826SS**PPolyproline II helixtrans-92131.3-155.734.8-32.4000114.2
1043G30Very low29.4Very low82 Ų82157.1 Ų157.185%0.84582%0.824SS**PPolyproline II helixtrans-96.1116.5168.300000112.3
1044E25.2Very low29.1Very low175 Ų175158.2 Ų158.282%0.81883%0.826SS**PPolyproline II helixtrans-69.1169.8-178-57.7-177.6141.800115
1045T24.6Very low28.8Very low112 Ų112158.5 Ų158.569%0.68783%0.828SS**  trans87103.4158.368.40000118.4
1046H29.3Very low28.5Very low174 Ų174158.7 Ų158.781%0.80683%0.829SS**  -173.199.8105.6-95.7-69000110.7S1048H1046-S1048 PolarHBondContact O-N 3.13Å
1047S23.9Very low28.2Very low113 Ų113157.7 Ų157.779%0.7983%0.828SS**  trans-63.6119.3164.854.40000110.6
1048S28.6Very low28.2Very low113 Ų113159.3 Ų159.379%0.7983%0.831SS**  trans-126.6104.3163.8-700000109.4H1046 R1050H1046-S1048 PolarHBondContact O-N 3.13Å; S1048-R1050 PolarHBondContact O-N 3.49Å
1049Q25.2Very low27.9Very low194 Ų194156.2 Ų156.291%0.90783%0.829SS**  trans-59.5108.9-176.8-66.3163.5-29.300111.6
1050R26.7Very low27.6Very low246 Ų246155.9 Ų155.993%0.92883%0.827SS**  trans-101.3111.2164.1-159.1172.7-166.3172.13.4109S1048S1048-R1050 PolarHBondContact O-N 3.49Å
1051R25.7Very low27.5Very low234 Ų234149.8 Ų149.888%0.88382%0.818SS**PPolyproline II helixtrans-56.7130.3-171.6-65176.1-179.2-168-1.5112.4
1052Q25Very low27.3Very low181 Ų181145.9 Ų145.985%0.84681%0.811SS**PPolyproline II helixtrans-70.5131.4164.5-67.5-170.6-6.600110
1053P31.8Very low27Very low123 Ų123152.4 Ų152.480%0.79982%0.821SS**PPolyproline II helixtrans-81.6120.1161.64.514000108.4
1054T28.3Very low26.8Very low127 Ų127160.1 Ų160.178%0.77982%0.824SS**PPolyproline II helixtrans-60.7135173.537.80000112.4L1056T1054-L1056 PolarHBondContact O-N 3.48Å
1055D26.1Very low26.7Very low155 Ų155163.5 Ų163.583%0.82983%0.83SS**PPolyproline II helixtrans-48.8121.6168.7-66.1-51.5000112.5
1056L28.8Very low26.8Very low168 Ų168162.8 Ų162.888%0.8884%0.835SS**  trans-119.899.5160.9-99.1154.6000107.5T1054 E1058T1054-L1056 PolarHBondContact O-N 3.48Å; L1056-E1058 PolarHBondContact O-N 3.44Å
1057V26.3Very low26.6Very low130 Ų130165.2 Ų165.279%0.78884%0.837SS**  trans-66.3112.7171.3174.70000108.2
1058E28.1Very low26.8Very low190 Ų190166.6 Ų166.689%0.88884%0.84SS**  trans-114.8125.2157.5-87.9-171.416400109.6L1056L1056-E1058 PolarHBondContact O-N 3.44Å
1059S27.4Very low26.7Very low113 Ų113166.9 Ų166.979%0.7983%0.833SS**  trans-77.9142.8-163.4-170.50000112.8G1061S1059-G1061 PolarHBondContact O-N 3.2Å
1060D25.9Very low26.6Very low143 Ų143162 Ų16277%0.76582%0.821SS**  trans-38.8119170.7-163.66.3000114.9
1061G27.8Very low26.6Very low71 Ų71159.9 Ų159.973%0.73282%0.821SS**  trans-107.889.3174.700000110.7S1059 R1063S1059-G1061 PolarHBondContact O-N 3.2Å; G1061-R1063 PolarHBondContact O-N 3.45Å
1062S27.5Very low26.6Very low105 Ų105158 Ų15873%0.73482%0.822SS**  trans-53.2113.6-179.9-70.20000113.8R1064S1062-R1064 PolarHBondContact O-N 3.27Å
1063R24.1Very low26.7Very low252 Ų252155 Ų15595%0.95182%0.822SS**  trans-70.5102.7167.1-89.3178.7172.9171.7-1.8110.5G1061 R1065G1061-R1063 PolarHBondContact O-N 3.45Å; R1063-R1065 PolarHBondContact O-N 2.85Å
1064R25.8Very low26.4Very low244 Ų244156.7 Ų156.792%0.92182%0.819SS**  trans-74.3119.2167.9-111.2179177.5-177.2-0.7110.4S1062 A1066S1062-R1064 PolarHBondContact O-N 3.27Å; R1064-A1066 PolarHBondContact O-N 2.89Å
1065R23.5Very low26.5Very low246 Ų246160 Ų16093%0.92883%0.825SS**  trans-57.1119.8162.9-82.2172.6166.7167.1-4.8109.8R1063R1063-R1065 PolarHBondContact O-N 2.85Å
1066A27.6Very low26.6Very low97 Ų97158.2 Ų158.280%0.80282%0.816SS**  trans-98.4109.8165.100000108.4R1064R1064-A1066 PolarHBondContact O-N 2.89Å
1067R23.5Very low26.7Very low224 Ų224157.9 Ų157.985%0.84581%0.813SS**  trans-87.2115174.3-169.1-179.1-169.1171.92.1106.1
1068V28.3Very low26.8Very low142 Ų142159 Ų15986%0.86182%0.815SS**  trans-98.5116.6173.8176.30000107.3
1069D26.5Very low26.9Very low119 Ų119157.7 Ų157.764%0.63681%0.813SS**  trans-84.2134.4-178.3-95.2-37000111.2
1070S23.8Very low27Very low93 Ų93156.7 Ų156.765%0.6581%0.812SS**  trans39.4107.9139.838.10000120
1071Q27.5Very low27.1Very low200 Ų200158.3 Ų158.394%0.93582%0.82SS**  trans-133.9102.2136.7-71.7-166.9-39.400109.6
1072Q24.7Very low27Very low194 Ų194163.6 Ų163.691%0.90783%0.825SS**  trans-80.1123160-81.9164.6-41.600107.8
1073S28.1Very low26.9Very low120 Ų120167.2 Ų167.284%0.83983%0.828SS**  trans-141.8112.4152.257.90000107.7
1074Q25.2Very low27.1Very low158 Ų158162.1 Ų162.174%0.73883%0.825SS**  trans-86.3127.4179.8178.6154.7-2700108.5D1076Q1074-D1076 PolarHBondContact NE2-OD1 3.44Å; Q1074-D1076 VanDerWaalsContact NE2-OD1 3.12Å
1075E29.5Very low27Very low195 Ų195159.1 Ų159.191%0.91182%0.821SS**  trans-129113.2158.3-78.4-170.4164.800107.7
1076D28.3Very low27.2Very low118 Ų118151 Ų15163%0.63181%0.814SS**  trans-72.3130.6178.9-57.2-52.2000110.2Q1074Q1074-D1076 PolarHBondContact NE2-OD1 3.44Å; Q1074-D1076 VanDerWaalsContact NE2-OD1 3.12Å
1077I31.6Very low27.2Very low161 Ų161156 Ų15683%0.82682%0.818SS**  trans-134.589.6156.4-57.9179.9000107.2
1078D28.6Very low27.2Very low155 Ų155154.6 Ų154.683%0.82982%0.821SS**  trans-77.9118.9164.1-81.3-33.9000109.3
1079L30.4Very low27.2Very low161 Ų161152.2 Ų152.284%0.84382%0.816SS**  trans-139.9110.9153.9-94.4170.6000109.6
1080A29.1Very low27Very low93 Ų93155.7 Ų155.777%0.76983%0.829SS**  trans-61.1130.7179.500000112.5
1081L27.1Very low27.3Very low177 Ų177160.3 Ų160.393%0.92784%0.84SS**  trans-101.398.1161.6-91.1156.7000107.5
1082E27.3Very low27.2Very low181 Ų181159.9 Ų159.985%0.84684%0.838SS**  trans-73.8144169.7-83.8-170.3151.900111.4
1083K23.6Very low27.2Very low182 Ų182159.8 Ų159.879%0.79184%0.837SS**  trans-56131.9-178.9-62.2167.9173.8-175.40112.7
1084T29Very low27.3Very low144 Ų144160.8 Ų160.888%0.88383%0.833SS**  trans-116.396.1153.148.20000108.7G1086T1084-G1086 PolarHBondContact O-N 2.97Å
1085E23.6Very low27.3Very low182 Ų182160.8 Ų160.885%0.8584%0.838SS**  trans-69.4111.4162.9-73.8172.7172.200108.2
1086G28.6Very low27.5Very low76 Ų76158.1 Ų158.178%0.78483%0.826SS**  trans-12797.5179.400000110.3T1084T1084-G1086 PolarHBondContact O-N 2.97Å
1087K27.1Very low27.5Very low202 Ų202160.4 Ų160.488%0.87884%0.838SS**  trans-19.1136174.3-70.7173.9173.2179.90119.1
1088E22.6Very low27.7Very low194 Ų194161.8 Ų161.891%0.90783%0.834SS**  trans-41129.2155.7-63.3161.1170.300112.8
1089A28.5Very low27.8Very low92 Ų92162.9 Ų162.976%0.7683%0.834SS**  trans-134.5106.9157.600000106.9E1091A1089-E1091 PolarHBondContact O-N 3.32Å
1090E23.6Very low27.8Very low192 Ų192163.3 Ų163.390%0.89784%0.837SS**  trans-69.5115.1167.5-62.7173.2156.300107.7
1091E28.2Very low27.9Very low189 Ų189167.2 Ų167.288%0.88384%0.836SS**  trans-133.7135.3163.7-77.8-170.3174.200110A1089A1089-E1091 PolarHBondContact O-N 3.32Å
1092E27.2Very low28.1Very low191 Ų191164 Ų16489%0.89383%0.826SS**  trans-73.8152.9-157.5-61.3174.4143.400114.4N1094E1092-N1094 PolarHBondContact O-N 2.77Å
1093E23Very low28.5Very low192 Ų192166.6 Ų166.690%0.89783%0.828SS**  trans-51.3127.7165.9-69.1174150.200111.5
1094N30.7Very low29.3Very low141 Ų141167.1 Ų167.175%0.75483%0.831SS**  trans-140.295.7158.8-150.4-2.9000109.7E1092 Q1096E1092-N1094 PolarHBondContact O-N 2.77Å; N1094-Q1096 PolarHBondContact O-N 2.68Å
1095D25.4Very low30Very low158 Ų158167.6 Ų167.685%0.84583%0.826SS**  trans-56.9108.2171.2-80.7-40.2000110.9
1096Q33Very low30.7Very low140 Ų140165.9 Ų165.965%0.65482%0.823SS**  trans-127.1104.5159.4-70.8-167.97.300110.4N1094 Y1098N1094-Q1096 PolarHBondContact O-N 2.68Å; Q1096-Y1098 WeakPolarHBondContact O-CD2 3.34Å; Q1096-Y1098 PolarHBondContact O-N 3.09Å
1097N28.8Very low31.8Very low166 Ų166164.9 Ų164.989%0.88880%0.803SS**  trans-47.9107.9171.5-126.6-14.6000111.5
1098Y35.5Very low33.2Very low190 Ų190160.1 Ų160.175%0.74579%0.793SS**  trans-102.8110.9163.9-77.7-82.6000109Q1096 L1100Q1096-Y1098 WeakPolarHBondContact O-CD2 3.34Å; Q1096-Y1098 PolarHBondContact O-N 3.09Å; Y1098-L1100 PolarHBondContact O-N 2.97Å
1099E30.8Very low34.9Very low177 Ų177158.1 Ų158.183%0.82778%0.784SS**  trans-59.5105.3170.6-70.2-179.1157.700110.4K1101E1099-K1101 PolarHBondContact O-N 2.78Å; E1099-K1101 VanDerWaalsContact O-N 3.13Å
1100L30Very low36.6Very low170 Ų170158.5 Ų158.589%0.8977%0.773SS**  trans-78.989.5174.9-69.1168.2000109.8Y1098Y1098-L1100 PolarHBondContact O-N 2.97Å
1101K32.1Very low38.9Very low176 Ų176154.2 Ų154.277%0.76576%0.755SS**  trans-77.7129.8164.6-91.5178.2178.2169.20110.4E1099 R1103E1099-K1101 PolarHBondContact O-N 2.78Å; E1099-K1101 VanDerWaalsContact O-N 3.13Å; K1101-R1103 PolarHBondContact O-N 3.24Å
1102P30.9Very low41.1Very low110 Ų110148.1 Ų148.171%0.71474%0.737SS**  trans-65.2127-177.824.4-31.7000110.7F1104P1102-F1104 PolarHBondContact O-N 2.99Å
1103R36.3Very low43.2Very low234 Ų234145.5 Ų145.588%0.88372%0.723SS**  trans-75.7110.9174.6-70.4-172.2178.5-173.70.7108.8K1101 I1105K1101-R1103 PolarHBondContact O-N 3.24Å; R1103-I1105 PolarHBondContact O-N 2.96Å
1104F39.6Very low45.9Very low193 Ų193139.7 Ų139.785%0.84670%0.702SS**  trans-62.3120.5162.6-86.6-97000108.1P1102P1102-F1104 PolarHBondContact O-N 2.99Å
1105I44.3Very low48.2Very low155 Ų155139.4 Ų139.480%0.79570%0.697SS**  trans-88.9112174-71.1165.1000105.9R1103 C1107R1103-I1105 PolarHBondContact O-N 2.96Å; I1105-C1107 PolarHBondContact O-N 3.37Å; I1105-C1107 VanDerWaalsContact O-N 3.11Å
1106D39.4Very low50.7Low146 Ų146134.7 Ų134.778%0.78168%0.679SS**  trans-59.7111.5176.6-72-37.1000109.6P1108D1106-P1108 WeakPolarHBondContact O-CD 3.27Å
1107C50.9Low52.5Low54 Ų54131.2 Ų131.237%0.36567%0.665SS.*  trans-86.9117.6172.8-163.90000108.8I1105 E1109 D1110I1105-C1107 PolarHBondContact O-N 3.37Å; I1105-C1107 VanDerWaalsContact O-N 3.11Å; C1107-E1109 PolarHBondContact O-N 3.49Å; C1107-E1109 VanDerWaalsContact O-N 3.09Å; C1107-D1110 PolarHBondContact O-N 3.38Å; C1107-D1110 VanDerWaalsContact O-N 3.08Å
1108P56.9Low54.7Low102 Ų102128.5 Ų128.566%0.66265%0.65SS**Hα-helixtrans-61.8-20.8-176.6-21.331.6000114.1D1106 D1110D1106-P1108 WeakPolarHBondContact O-CD 3.27Å; P1108-D1110 VanDerWaalsContact C-N 3.33Å
1109E58Low56.5Low152 Ų152126 Ų12671%0.7164%0.644SS**Hα-helixtrans-71.4-29.3178.2-65.4177.8175.700111.9C1107 I1111 A1112 F1113C1107-E1109 PolarHBondContact O-N 3.49Å; C1107-E1109 VanDerWaalsContact O-N 3.09Å; E1109-I1111 VanDerWaalsContact C-N 3.31Å; E1109-I1111 PolarHBondContact O-N 2.74Å; E1109-A1112 PolarHBondContact O-N 3.48Å; E1109-F1113 PolarHBondContact O-N 3.26Å
1110D64.2Low58.3Low100 Ų100123.2 Ų123.254%0.53563%0.632SS.*Hα-helixtrans-70.5-28.9178.9-67.4-23.8000112C1107 P1108 F1113 C1114C1107-D1110 PolarHBondContact O-N 3.38Å; C1107-D1110 VanDerWaalsContact O-N 3.08Å; P1108-D1110 VanDerWaalsContact C-N 3.33Å; D1110-F1113 PolarHBondContact O-N 3.39Å; D1110-C1114 VanDerWaalsContact O-CB 3.3Å; D1110-C1114 WeakPolarHBondContact O-CB 3.42Å; D1110-C1114 PolarHBondContact O-N 2.92Å; D1110-C1114 PolarHBondContact O-SG 3.39Å
1111I71.7Confident59.4Low103 Ų103119 Ų11953%0.52861%0.609SS.*Hα-helixtrans-68.5-45.7175.6-58.7174.1000109.7E1109 F1113 C1114 E1115E1109-I1111 VanDerWaalsContact C-N 3.31Å; E1109-I1111 PolarHBondContact O-N 2.74Å; I1111-F1113 VanDerWaalsContact C-N 3.29Å; I1111-F1113 PolarHBondContact O-N 3.33Å; I1111-C1114 PolarHBondContact O-N 3.47Å; I1111-E1115 WeakPolarHBondContact O-CB 3.49Å; I1111-E1115 WeakPolarHBondContact O-CG 3.43Å; I1111-E1115 PolarHBondContact O-N 3.18Å
1112A75Confident60.4Low60 Ų60113 Ų11350%0.49659%0.593SS.*Hα-helixtrans-64.9-36.4177.700000111.6E1109 A1116E1109-A1112 PolarHBondContact O-N 3.48Å; A1112-A1116 WeakPolarHBondContact O-CB 3.2Å; A1112-A1116 PolarHBondContact O-N 3.46Å
1113F71.2Confident61.5Low137 Ų137113.9 Ų113.960%0.60159%0.587SS**Hα-helixtrans-68.2-47.8175.6-177.1-97.6000112.1E1109 D1110 I1111 A1116 L1117E1109-F1113 PolarHBondContact O-N 3.26Å; D1110-F1113 PolarHBondContact O-N 3.39Å; I1111-F1113 VanDerWaalsContact C-N 3.29Å; I1111-F1113 PolarHBondContact O-N 3.33Å; F1113-A1116 PolarHBondContact O-N 3.48Å; F1113-L1117 HydrophobicContact CE1-CD2 4.32Å; F1113-L1117 WeakPolarHBondContact O-CB 3.31Å; F1113-L1117 PolarHBondContact O-N 3.33Å
1114C78.5Confident61.7Low69 Ų69106.4 Ų106.447%0.46658%0.576SS.*Hα-helixtrans-61.9-43.9177-71.10000111.4D1110 I1111 A1116 L1117 D1118D1110-C1114 VanDerWaalsContact O-CB 3.3Å; D1110-C1114 WeakPolarHBondContact O-CB 3.42Å; D1110-C1114 PolarHBondContact O-N 2.92Å; D1110-C1114 PolarHBondContact O-SG 3.39Å; I1111-C1114 PolarHBondContact O-N 3.47Å; C1114-A1116 PolarHBondContact O-N 3.07Å; C1114-L1117 PolarHBondContact O-N 3.36Å; C1114-D1118 WeakPolarHBondContact O-CB 3.32Å; C1114-D1118 PolarHBondContact O-N 2.92Å
1115E79.9Confident61.6Low136 Ų136103.7 Ų103.764%0.63657%0.57SS**Hα-helixtrans-63.3-41.6175.1-79.9-171.1161.900111.9I1111 L1117 D1118 K1119I1111-E1115 WeakPolarHBondContact O-CB 3.49Å; I1111-E1115 WeakPolarHBondContact O-CG 3.43Å; I1111-E1115 PolarHBondContact O-N 3.18Å; E1115-L1117 VanDerWaalsContact C-N 3.35Å; E1115-D1118 PolarHBondContact O-N 2.95Å; E1115-K1119 VanDerWaalsContact O-CB 3.29Å; E1115-K1119 WeakPolarHBondContact O-CB 3.49Å; E1115-K1119 PolarHBondContact O-N 3.47Å
1116A78.5Confident61Low58 Ų58103.7 Ų103.748%0.47957%0.57SS.*Hα-helixtrans-65.4-38.8177.200000112.1A1112 F1113 C1114 K1119 M1120A1112-A1116 WeakPolarHBondContact O-CB 3.2Å; A1112-A1116 PolarHBondContact O-N 3.46Å; F1113-A1116 PolarHBondContact O-N 3.48Å; C1114-A1116 PolarHBondContact O-N 3.07Å; A1116-K1119 PolarHBondContact O-N 3.4Å; A1116-M1120 VanDerWaalsContact O-CB 3.31Å; A1116-M1120 WeakPolarHBondContact O-CB 3.31Å; A1116-M1120 PolarHBondContact O-N 3.11Å
1117L69.4Low60.4Low67 Ų67101.1 Ų101.135%0.35156%0.564SS.*Hα-helixtrans-66.1-46.5176.7-176.160.2000110.9F1113 C1114 E1115 K1119 M1120 I1121F1113-L1117 HydrophobicContact CE1-CD2 4.32Å; F1113-L1117 WeakPolarHBondContact O-CB 3.31Å; F1113-L1117 PolarHBondContact O-N 3.33Å; C1114-L1117 PolarHBondContact O-N 3.36Å; E1115-L1117 VanDerWaalsContact C-N 3.35Å; L1117-K1119 VanDerWaalsContact C-N 3.32Å; L1117-K1119 PolarHBondContact O-N 3.18Å; L1117-M1120 HydrophobicContact CD1-CE 3.66Å; L1117-M1120 PolarHBondContact O-N 2.86Å; L1117-I1121 HydrophobicContact CD1-CD1 4.19Å; L1117-I1121 HydrophobicContact CG-CD1 3.98Å; L1117-I1121 WeakPolarHBondContact O-CB 3.44Å; L1117-I1121 WeakPolarHBondContact O-CG1 3.29Å; L1117-I1121 PolarHBondContact O-N 3.07Å
1118D75.4Confident59.3Low109 Ų109103.7 Ų103.758%0.58358%0.582SS**Hα-helixtrans-63.8-37.4175.4-80.9-19.7000111.8C1114 E1115 I1121 A1122C1114-D1118 WeakPolarHBondContact O-CB 3.32Å; C1114-D1118 PolarHBondContact O-N 2.92Å; E1115-D1118 PolarHBondContact O-N 2.95Å; D1118-I1121 PolarHBondContact O-N 2.86Å; D1118-A1122 WeakPolarHBondContact O-CB 3.29Å; D1118-A1122 PolarHBondContact O-N 2.97Å
1119K73.3Confident57.8Low139 Ų139105.3 Ų105.360%0.60459%0.59SS**Hα-helixtrans-66.5-41.5175.4-136.4176.8-173.1177.80111.9E1115 A1116 L1117 A1122 E1123E1115-K1119 VanDerWaalsContact O-CB 3.29Å; E1115-K1119 WeakPolarHBondContact O-CB 3.49Å; E1115-K1119 PolarHBondContact O-N 3.47Å; A1116-K1119 PolarHBondContact O-N 3.4Å; L1117-K1119 VanDerWaalsContact C-N 3.32Å; L1117-K1119 PolarHBondContact O-N 3.18Å; K1119-A1122 PolarHBondContact O-N 3.43Å; K1119-E1123 WeakPolarHBondContact O-CB 3.36Å; K1119-E1123 WeakPolarHBondContact O-CG 3.26Å; K1119-E1123 PolarHBondContact O-N 3.11Å
1120M69.1Low56.3Low118 Ų118104 Ų10458%0.58160%0.598SS**Hα-helixtrans-65.9-40176.9-174.3177.358.300111A1116 L1117 A1124A1116-M1120 VanDerWaalsContact O-CB 3.31Å; A1116-M1120 WeakPolarHBondContact O-CB 3.31Å; A1116-M1120 PolarHBondContact O-N 3.11Å; L1117-M1120 HydrophobicContact CD1-CE 3.66Å; L1117-M1120 PolarHBondContact O-N 2.86Å; M1120-A1124 WeakPolarHBondContact O-CB 3.43Å; M1120-A1124 PolarHBondContact O-N 2.71Å
1121I53.8Low54.5Low81 Ų81103.2 Ų103.242%0.41561%0.614SS.*Hα-helixtrans-66.2-41.7174.4-66.7165.6000110.4L1117 D1118 A1124 L1125L1117-I1121 HydrophobicContact CD1-CD1 4.19Å; L1117-I1121 HydrophobicContact CG-CD1 3.98Å; L1117-I1121 WeakPolarHBondContact O-CB 3.44Å; L1117-I1121 WeakPolarHBondContact O-CG1 3.29Å; L1117-I1121 PolarHBondContact O-N 3.07Å; D1118-I1121 PolarHBondContact O-N 2.86Å; I1121-A1124 PolarHBondContact O-N 3.22Å; I1121-L1125 HydrophobicContact CG2-CD1 3.95Å; I1121-L1125 WeakPolarHBondContact O-CB 3.06Å; I1121-L1125 VanDerWaalsContact O-CG 3.28Å; I1121-L1125 WeakPolarHBondContact O-CG 3.42Å; I1121-L1125 PolarHBondContact O-N 3.08Å
1122A51.8Low52.3Low51 Ų51103.6 Ų103.642%0.42163%0.625SS.*Hα-helixtrans-68.9-39.2178.300000113D1118 K1119 L1125 L1126D1118-A1122 WeakPolarHBondContact O-CB 3.29Å; D1118-A1122 PolarHBondContact O-N 2.97Å; K1119-A1122 PolarHBondContact O-N 3.43Å; A1122-L1125 PolarHBondContact O-N 2.77Å; A1122-L1126 PolarHBondContact O-N 3.35Å
1123E54.6Low49.9Very low127 Ų127108.1 Ų108.159%0.59364%0.641SS**Hα-helixtrans-70.2-35.9175.3-78.3-177.6175.600111.9K1119 L1125 L1126 S1127K1119-E1123 WeakPolarHBondContact O-CB 3.36Å; K1119-E1123 WeakPolarHBondContact O-CG 3.26Å; K1119-E1123 PolarHBondContact O-N 3.11Å; E1123-L1125 VanDerWaalsContact C-N 3.32Å; E1123-L1125 PolarHBondContact O-N 2.73Å; E1123-L1126 PolarHBondContact O-N 3.43Å; E1123-S1127 WeakPolarHBondContact O-CB 3.3Å; E1123-S1127 PolarHBondContact O-N 3.37Å; E1123-S1127 PolarHBondContact O-OG 3.05Å
1124A40.9Very low47.7Very low78 Ų78106.3 Ų106.365%0.64565%0.646SS**Hα-helixtrans-67.2-32.8174.300000112.4M1120 I1121M1120-A1124 WeakPolarHBondContact O-CB 3.43Å; M1120-A1124 PolarHBondContact O-N 2.71Å; I1121-A1124 PolarHBondContact O-N 3.22Å
1125L36.3Very low45.2Very low136 Ų136108.4 Ų108.471%0.71266%0.661SS**Hα-helixtrans-82.1-12.1-179.7-72.5171.9000114.4I1121 A1122 E1123I1121-L1125 HydrophobicContact CG2-CD1 3.95Å; I1121-L1125 WeakPolarHBondContact O-CB 3.06Å; I1121-L1125 VanDerWaalsContact O-CG 3.28Å; I1121-L1125 WeakPolarHBondContact O-CG 3.42Å; I1121-L1125 PolarHBondContact O-N 3.08Å; A1122-L1125 PolarHBondContact O-N 2.77Å; E1123-L1125 VanDerWaalsContact C-N 3.32Å; E1123-L1125 PolarHBondContact O-N 2.73Å
1126L32.7Very low42.5Very low155 Ų155106.8 Ų106.881%0.81267%0.665SS**Hα-helixtrans-131.97.5-174.2-70.1170.9000116.1A1122 E1123 S1128A1122-L1126 PolarHBondContact O-N 3.35Å; E1123-L1126 PolarHBondContact O-N 3.43Å; L1126-S1128 PolarHBondContact O-N 3.08Å
1127S27.4Very low40.1Very low92 Ų92110.2 Ų110.264%0.64368%0.68SS**  trans-101.172.517760.60000113.9E1123E1123-S1127 WeakPolarHBondContact O-CB 3.3Å; E1123-S1127 PolarHBondContact O-N 3.37Å; E1123-S1127 PolarHBondContact O-OG 3.05Å
1128S26.9Very low38Very low108 Ų108112.8 Ų112.876%0.75570%0.703SS**  trans-154.275.9150.756.40000112L1126L1126-S1128 PolarHBondContact O-N 3.08Å
1129T25.6Very low35.5Very low135 Ų135110.2 Ų110.283%0.82870%0.702SS**SBendtrans-167.8109.6148.111.10000112.8
1130S25.7Very low33.3Very low126 Ų126110.2 Ų110.288%0.88171%0.714SS**  trans45.2107.4137.6-50.30000120.5
1131G27.1Very low31.1Very low83 Ų83110.4 Ų110.486%0.85672%0.721SS**  trans-127.4112.115900000110.9
1132S24.9Very low29.7Very low111 Ų111112.6 Ų112.678%0.77674%0.739SS**  trans-79.8147.8171.945.60000111.3
1133N25.4Very low28.3Very low154 Ų154114.5 Ų114.582%0.82475%0.749SS**  trans-167.3113.3144.9-101.5-16.1000114.4
1134S23.6Very low26.8Very low100 Ų100114.1 Ų114.170%0.69976%0.755SS**  68.7136.8127.170.90000123.4
1135S26.5Very low25.9Very low113 Ų113116 Ų11679%0.7976%0.759SS**  trans89.2140151.182.20000116.2
1136S22.9Very low25.3Very low101 Ų101114 Ų11471%0.70676%0.757SS**  cis177.9177.6-17.249.90000105.4
1137V28.8Very low24.8Very low131 Ų131112.3 Ų112.379%0.79475%0.752SS**  trans9494.3172-167.40000113
1138S25Very low24.5Very low121 Ų121116.2 Ų116.285%0.84676%0.763SS**  63.6126.983.7-166.90000111.6
1139G24.2Very low24.5Very low55 Ų55118.8 Ų118.857%0.56777%0.768SS**  cis160.6179.116.100000106.9
1140T26.6Very low24.3Very low138 Ų138118.1 Ų118.185%0.84776%0.764SS**  trans70.510217137.10000117.2
1141V22.4Very low24.4Very low122 Ų122117.9 Ų117.974%0.73976%0.762SS**  81.7136.259.4177.20000113.1
1142T24.4Very low24.1Very low128 Ų128120.1 Ų120.179%0.78576%0.759SS**  trans76.7140.3165.751.60000117.8
1143S22.6Very low24.5Very low91 Ų91122.4 Ų122.464%0.63676%0.763SS**  cis174.2145.6-10.251.40000107.2
1144V23.3Very low24.6Very low118 Ų118120.7 Ų120.772%0.71576%0.758SS**  trans79.6102.3132.3172.20000118.9
1145T22.3Very low24.8Very low117 Ų117123.3 Ų123.372%0.71876%0.764SS**  70.7150.5125.566.40000123.2
1146S22.6Very low25.2Very low96 Ų96123.5 Ų123.567%0.67176%0.762SS**  trans9396.1141.4-700000116.5
1147T22.5Very low25.4Very low118 Ų118123.3 Ų123.372%0.72477%0.767SS**  78.3117.587.255.20000114.4
1148M21Very low25.3Very low175 Ų175122.3 Ų122.386%0.86277%0.766SS**  trans61.3111.1142.6-55.5-176.9108.100117.6
1149N26.4Very low25.3Very low161 Ų161120.8 Ų120.886%0.86176%0.755SS**  -167.1145.5107.8-119-13.6000114.2
1150V21.7Very low25.4Very low122 Ų122129.2 Ų129.274%0.73977%0.77SS**  trans-62135174.8173.70000110.7
1151S27.5Very low25.4Very low121 Ų121129.1 Ų129.185%0.84677%0.769SS**  trans-157.8119.3149.2-74.10000109.9
1152T22.7Very low25.5Very low129 Ų129131.7 Ų131.779%0.79178%0.778SS**  trans-62.6128.9171.844.90000110.7
1153D32Very low25.6Very low160 Ų160130.9 Ų130.986%0.85678%0.778SS**  trans-146.4144.5152.1-110.4-26.6000112.9
1154T27.7Very low25.8Very low117 Ų117132.7 Ų132.772%0.71879%0.785SS**  trans-94138.6-155.411.40000113.3
1155N27.8Very low25.9Very low156 Ų156134.1 Ų134.183%0.83479%0.788SS**  trans76.3153.6143.5-87.4-9.2000122
1156P34.6Very low26.1Very low116 Ų116135.1 Ų135.175%0.75379%0.794SS**  trans-115.9155.1-139.739.8-28.6000113.7
1157A27.1Very low26.2Very low98 Ų98138 Ų13881%0.8180%0.801SS**  trans-152.7116.7157.600000111.5
1158S27Very low26.4Very low109 Ų109137.9 Ų137.976%0.76280%0.802SS**  trans72.3114.6136.2-145.80000120.8
1159S26.1Very low26.7Very low90 Ų90134.1 Ų134.163%0.62980%0.799SS**  76.3111.912755.50000120.8
1160R24.7Very low26.9Very low231 Ų231132.8 Ų132.887%0.87280%0.799SS**  62.6105.8125.5-62.6179.4-179.4178.4-0.4116.6
1161T27.9Very low27Very low136 Ų136135.1 Ų135.183%0.83480%0.802SS**  167.7112.487.939.60000107.4
1162L23.4Very low27Very low177 Ų177135.6 Ų135.693%0.92779%0.794SS**  trans-86105.2177.4-73.3160000108.7
1163S27.8Very low27.2Very low110 Ų110137.8 Ų137.877%0.76980%0.799SS**  trans-92.8111.3159.2560000107.9N1165S1163-N1165 PolarHBondContact O-N 3.23Å
1164V25.8Very low26.8Very low130 Ų130138.1 Ų138.179%0.78880%0.796SS**  trans-72.3113.4-176.1171.50000109.7
1165N24.9Very low26.8Very low147 Ų147140 Ų14079%0.78680%0.8SS**PPolyproline II helixtrans-68.9127.1163.7-85.2-7000109.8S1163S1163-N1165 PolarHBondContact O-N 3.23Å
1166V27.9Very low26.6Very low139 Ų139136.7 Ų136.784%0.84280%0.795SS**PPolyproline II helixtrans-71.3122.1165.2174.10000108.2
1167L23.5Very low26.1Very low157 Ų157135.6 Ų135.682%0.82280%0.796SS**PPolyproline II helixtrans-78.6144.4175.8-95148000111.1
1168P26.1Very low25.9Very low115 Ų115135.2 Ų135.275%0.74779%0.793SS**PPolyproline II helixtrans-85.1146.5-177.30.919000112.6
1169A28.2Very low25.8Very low95 Ų95139.6 Ų139.679%0.78580%0.798SS**PPolyproline II helixtrans-80.6151.3172.400000112
1170P29.9Very low25.7Very low133 Ų133140.4 Ų140.486%0.86480%0.804SS**PPolyproline II helixtrans-89.5154.4-163.935.6-34.4000114.5
1171E24.9Very low25.5Very low171 Ų171140.7 Ų140.780%0.79981%0.805SS**PPolyproline II helixtrans-73.7156.4179-107.2179.4-178.200115
1172I27.5Very low25.3Very low132 Ų132142.1 Ų142.168%0.67781%0.806SS**  trans79.2105.2147.8-57.8152.9000118.2
1173L27.1Very low25.3Very low174 Ų174139 Ų13991%0.91180%0.795SS**  trans-140.7109.7133.9-112.6163.6000109.3
1174Q23.7Very low25.2Very low167 Ų167143 Ų14378%0.7880%0.803SS**  trans-109.7116.4-177-175.516519.300108.1
1175L26.5Very low25.1Very low156 Ų156146.4 Ų146.482%0.81781%0.808SS**  trans-154.2111.3159.9-120.9106.3000106.3
1176A24.7Very low25.1Very low88 Ų88149 Ų14973%0.72782%0.815SS**  59.6136.697.800000113.3
1177A23.2Very low24.9Very low92 Ų92146.2 Ų146.276%0.7682%0.815SS**  cis-170.2142.9-10.200000105.2
1178A22.4Very low25Very low90 Ų90142.5 Ų142.574%0.74481%0.814SS**  trans41.8144.1142.200000122.7
1179K25.2Very low24.9Very low202 Ų202142.6 Ų142.688%0.87882%0.818SS**  trans94.5132.9164.5-60.3173.3174.4178.70113.4
1180S24.3Very low24.7Very low107 Ų107143.5 Ų143.575%0.74882%0.819SS**  cis-163.2134.35.434.70000107.1
1181R19.9Very low24.5Very low237 Ų237142.5 Ų142.589%0.89481%0.814SS**  trans-81.8114.1178.9-161.2-177.4-75.4-157.9-2.7107.5
1182L25Very low24.5Very low166 Ų166140.5 Ų140.587%0.86981%0.814SS**  trans-124.9116.6161.3-81.6176.6000108.8
1183T23.4Very low24.4Very low112 Ų112141.4 Ų141.469%0.68782%0.82SS**  trans-77.6120.317547.60000109.4
1184M24.9Very low24.4Very low192 Ų192140.4 Ų140.495%0.94682%0.816SS**  trans-130.6124.4157.8-78.6-82.495.500107.5
1185K23.5Very low24.5Very low203 Ų203139 Ų13988%0.88382%0.818SS**  trans-119.1110.3-174.1-172.8-171.1-167.6-174.70103.9
1186E25.2Very low24.4Very low200 Ų200136.7 Ų136.794%0.93582%0.816SS**  trans-161.3131.7163.9-114.6171.9-15400110
1187G22.9Very low24.5Very low82 Ų82141.8 Ų141.885%0.84582%0.824SS**  trans-81.9157.7-179.500000112.4
1188G25.8Very low24.5Very low78 Ų78146.6 Ų146.680%0.80483%0.831SS**  trans-165.6113.1173.900000109.7
1189S25.1Very low24.7Very low117 Ų117147 Ų14782%0.81883%0.834SS**  trans-56.9144.2-177.748.10000114.7
1190S23.7Very low24.7Very low115 Ų115143.5 Ų143.580%0.80483%0.83SS**  trans-71.8124.617560.80000112.3
1191S25.4Very low24.7Very low111 Ų111146.4 Ų146.478%0.77684%0.837SS**  trans-114.2116.7160.9-74.10000109N1193S1191-N1193 PolarHBondContact O-N 2.49Å
1192T25.1Very low25Very low130 Ų130142.9 Ų142.980%0.79883%0.831SS**  trans-67.6114.3173.741.10000110.8
1193N25.6Very low25.1Very low150 Ų150143 Ų14380%0.80283%0.826SS**  trans-93.8107.6169.3-89.6-21.3000109.5S1191S1191-N1193 PolarHBondContact O-N 2.49Å
1194N25.9Very low25.1Very low154 Ų154146.1 Ų146.182%0.82484%0.839SS**  trans-74.3120.3167.4-84.5-26.1000109.6S1196N1194-S1196 PolarHBondContact O-N 2.96Å
1195V26.3Very low25Very low136 Ų136142.5 Ų142.582%0.82483%0.831SS**  trans-84.8104.2178174.70000108.4
1196S25.8Very low25Very low109 Ų109138.4 Ų138.476%0.76282%0.823SS**  trans-77.1122.3173.3-62.60000110.8N1194N1194-S1196 PolarHBondContact O-N 2.96Å
1197Q25.2Very low24.9Very low195 Ų195135.1 Ų135.191%0.91181%0.811SS**  trans-63.9124.9175-72.1168.8-8.100111.2
1198Q24.8Very low25.2Very low192 Ų192139.9 Ų139.990%0.89781%0.811SS**  trans-88.7114.3169.6-78.9176.9-16.500109.4
1199A25.5Very low25.1Very low98 Ų98140.6 Ų140.681%0.8180%0.803SS**  trans-82.3120.816900000109.9
1200T24.6Very low25.1Very low129 Ų129141.4 Ų141.479%0.79180%0.803SS**  trans-82.6110.9178.3470000110.8
1201N25.4Very low25.6Very low169 Ų169141.4 Ų141.490%0.90480%0.8SS**  trans-93.1120.1171.2-94.5-22.8000110.6
1202H25.8Very low25.5Very low163 Ų163146 Ų14676%0.75581%0.807SS**  trans-97.2124.6176.7-105.4-59.9000111.7
1203H26.3Very low25.7Very low167 Ų167145 Ų14577%0.77381%0.805SS**  trans59.6102139.1-75.429.4000119.1
1204N25.3Very low25.9Very low178 Ų178145.6 Ų145.695%0.95281%0.808SS**  trans-126.4134.6150.1-96.7-23.4000110
1205C22.5Very low25.9Very low117 Ų117146.7 Ų146.779%0.79181%0.808SS**  trans-103.4124.9-166.8-153.70000110.7
1206T22.5Very low26.1Very low116 Ų116148.3 Ų148.371%0.71281%0.812SS**  trans47.7140.8138.2-32.50000122
1207I24Very low26.1Very low132 Ų132150 Ų15068%0.67781%0.812SS**  trans104.285.9149-45.9168.9000116.3
1208H29.4Very low26.3Very low181 Ų181148 Ų14884%0.83881%0.808SS**  -177.9150.5107.7-101-65.9000111.1
1209S22.5Very low26.3Very low93 Ų93148.3 Ų148.365%0.6581%0.806SS**  trans-113.1150.9-155.1510000112.8
1210V25.8Very low26.3Very low134 Ų134149.5 Ų149.581%0.81280%0.797SS**  trans82.1142.1142.5167.80000118
1211P34.6Very low26.3Very low115 Ų115150.8 Ų150.875%0.74780%0.799SS**  cis-133.4171.3-27.433.4-13.1000115.4
1212K23.4Very low26.3Very low209 Ų209148.9 Ų148.991%0.90979%0.789SS**  trans-58.1147.6172.9-62.5165.6172.2177.70114.7
1213S29Very low26.4Very low109 Ų109146.1 Ų146.176%0.76279%0.788SS**  trans-143.7124.5149.2600000111.5
1214N30.2Very low26.4Very low162 Ų162144.7 Ų144.787%0.86679%0.786SS**  trans74.1104.7154.2-63.47.1000120.5
1215E24.4Very low26.4Very low177 Ų177142.3 Ų142.383%0.82778%0.778SS**  trans-48142146.9-64.6170.6133.300111.7
1216D31.5Very low26.6Very low169 Ų169144.6 Ų144.690%0.90478%0.782SS**  -160.4119.7125.2-97.4-27.4000110.4
1217N25.9Very low26.7Very low144 Ų144143.1 Ų143.177%0.7778%0.776SS**  trans-75.8121.3172.1-91.8-60.4000109.6
1218L29.3Very low26.8Very low155 Ų155141.7 Ų141.781%0.81278%0.784SS**  trans-144.988.4153.5-90.2168.3000109.7I1220L1218-I1220 HydrophobicContact CD2-CD1 4.22Å; L1218-I1220 HydrophobicContact CD2-CG1 4.44Å
1219K23.7Very low26.7Very low197 Ų197139 Ų13986%0.85778%0.78SS**  trans-77.6108.6157.6-78177.2175.5176.70107.5
1220I26.3Very low26.8Very low124 Ų124142.3 Ų142.364%0.63679%0.791SS**  trans-123.9106.4160.2-64.4177.2000106.7L1218 N1222L1218-I1220 HydrophobicContact CD2-CD1 4.22Å; L1218-I1220 HydrophobicContact CD2-CG1 4.44Å; I1220-N1222 PolarHBondContact O-N 3.06Å
1221N24.7Very low26.9Very low156 Ų156138.5 Ų138.583%0.83478%0.778SS**  trans-70.6109.8164.9-79.6-18.7000107.8
1222N26.4Very low26.9Very low128 Ų128142.2 Ų142.268%0.68479%0.786SS**  trans-111.696.3157.5-83.4-7.6000107.6I1220 D1224I1220-N1222 PolarHBondContact O-N 3.06Å; N1222-D1224 VanDerWaalsContact C-N 3.31Å; N1222-D1224 PolarHBondContact O-N 2.84Å
1223S26.8Very low27.7Very low105 Ų105139.5 Ų139.573%0.73478%0.781SS**  trans-75.487.3160.449.40000107.8T1225S1223-T1225 VanDerWaalsContact C-N 3.32Å; S1223-T1225 PolarHBondContact O-N 3.2Å
1224D27Very low28.5Very low138 Ų138140.1 Ų140.174%0.73878%0.776SS**  trans-70.293.2169.9-78.6-24.3000108.7N1222 L1226N1222-D1224 VanDerWaalsContact C-N 3.31Å; N1222-D1224 PolarHBondContact O-N 2.84Å; D1224-L1226 PolarHBondContact O-N 3.26Å
1225T25.1Very low29.6Very low127 Ų127141.2 Ų141.278%0.77978%0.776SS**  trans-78.592.2167.8-47.80000106.2S1223 S1227S1223-T1225 VanDerWaalsContact C-N 3.32Å; S1223-T1225 PolarHBondContact O-N 3.2Å; T1225-S1227 PolarHBondContact O-N 2.83Å
1226L26.7Very low31.7Very low165 Ų165137.5 Ų137.586%0.86476%0.762SS**  trans-70.599.3171.6-81.1167.9000108.7D1224D1224-L1226 PolarHBondContact O-N 3.26Å
1227S25.1Very low34.1Very low86 Ų86131.9 Ų131.960%0.60173%0.734SS**  trans-45.2133.617148.60000113.2T1225 V1229T1225-S1227 PolarHBondContact O-N 2.83Å; S1227-V1229 PolarHBondContact O-N 3.03Å; S1227-V1229 VanDerWaalsContact O-N 3.08Å
1228A25Very low36.8Very low102 Ų102125.7 Ų125.784%0.84370%0.701SS**  trans-54.5106.3162.400000110.1
1229V26.6Very low39.4Very low125 Ų125123.5 Ų123.576%0.75870%0.696SS**  trans-91.2108.2170.2176.80000107.5S1227 G1231S1227-V1229 PolarHBondContact O-N 3.03Å; S1227-V1229 VanDerWaalsContact O-N 3.08Å; V1229-G1231 PolarHBondContact O-N 3.28Å
1230N25.6Very low42.4Very low162 Ų162116.4 Ų116.487%0.86667%0.665SS**  trans-54.9117.6160.3-73.5-23.3000108.9
1231G28.7Very low45.2Very low54 Ų54114.6 Ų114.656%0.55766%0.66SS**  trans-161.598.5173.900000109.1V1229 D1233V1229-G1231 PolarHBondContact O-N 3.28Å; G1231-D1233 PolarHBondContact O-N 3.16Å
1232E34.3Very low47.8Very low193 Ų193111.5 Ų111.590%0.90264%0.643SS**THydrogen-bonded Turntrans-66.810.7-175.3-67.6-178.5140.100114.9
1233D40Very low50.6Low151 Ų151109.8 Ų109.881%0.80764%0.637SS**THydrogen-bonded Turntrans-98.35.3-175.3-78.6-31.6000115.3G1231 Q1235G1231-D1233 PolarHBondContact O-N 3.16Å; D1233-Q1235 VanDerWaalsContact C-N 3.34Å; D1233-Q1235 PolarHBondContact O-N 3.46Å
1234N44.9Very low53Low123 Ų123107 Ų10766%0.65862%0.618SS**G310 helixtrans-81.7-2.3-177.1-104.7-2.5000115.5N1236N1234-N1236 PolarHBondContact O-N 3.38Å; N1234-N1236 VanDerWaalsContact O-N 3.17Å
1235Q54.5Low55.2Low185 Ų185110.9 Ų110.986%0.86462%0.622SS**G310 helixtrans-71.6-9.5-175.7-65.1-166.47.100114.5D1233D1233-Q1235 VanDerWaalsContact C-N 3.34Å; D1233-Q1235 PolarHBondContact O-N 3.46Å
1236N68.6Low57.1Low99 Ų99115.6 Ų115.653%0.52963%0.625SS.*G310 helixtrans-117.427.9-174.3-77.5-27.6000114.1N1234 P1258 N1259N1234-N1236 PolarHBondContact O-N 3.38Å; N1234-N1236 VanDerWaalsContact O-N 3.17Å; N1236-P1258 CarbonylContact O-C 3.4Å; N1236-P1258 VanDerWaalsContact O-CA 3.27Å; N1236-P1258 WeakPolarHBondContact O-CA 3.45Å; N1236-N1259 VanDerWaalsContact O-CG 3.29Å; N1236-N1259 PolarHBondContact O-N 3Å; N1236-N1259 PolarHBondContact O-OD1 2.83Å; N1236-N1259 PolarHBondContact OD1-ND2 3.3Å
1237T81.4Confident59.2Low51 Ų51110.6 Ų110.631%0.31361%0.614SS.*EExtended strand (participates in β ladder)trans-120.3145.3177.365.60000112.9A1256 V1257T1237-A1256 HydrophobicContact CG2-CB 4.4Å; T1237-V1257 CarbonylContact C-O 3.57Å; T1237-V1257 WeakPolarHBondContact CA-O 3.34Å
1238V82.3Confident61.1Low13 Ų13115.1 Ų115.18%0.07963%0.631CS.*EExtended strand (participates in β ladder)trans-109.5127.1175.6-177.20000107.9F1240 V1257 N1259 A1264 Y1267 I1268V1238-F1240 HydrophobicContact CB-CD2 4.32Å; V1238-F1240 HydrophobicContact CB-CE2 3.83Å; V1238-F1240 HydrophobicContact CG1-CD2 4.13Å; V1238-F1240 HydrophobicContact CG1-CE2 3.54Å; V1238-F1240 HydrophobicContact CG1-CZ 4.13Å; V1238-F1240 WeakPolarHBondContact O-CD2 3Å; V1238-F1240 PolarHBondContact O-N 3.19Å; V1238-V1257 PolarHBondContact N-O 3.42Å; V1238-V1257 PolarHBondContact O-N 3.4Å; V1238-N1259 HydrophobicContact CG2-CB 4.5Å; V1238-A1264 HydrophobicContact CB-CB 4.27Å; V1238-A1264 HydrophobicContact CG2-CB 4.13Å; V1238-Y1267 HydrophobicContact CG1-CD1 3.77Å; V1238-Y1267 HydrophobicContact CG1-CE1 4.08Å; V1238-I1268 HydrophobicContact CG2-CD1 3.41Å; V1238-I1268 VanDerWaalsContact CG2-CD1 3.41Å; V1238-I1268 HydrophobicContact CG2-CG1 3.68Å
1239P84.9Confident62.9Low109 Ų109118.6 Ų118.671%0.70863%0.627SS**EExtended strand (participates in β ladder)trans-72.8124.517828.7-32.8000110.7
1240F85.7Confident65.2Low49 Ų49116.6 Ų116.622%0.21562%0.617CS.*EExtended strand (participates in β ladder)trans-118.7157.8168.3-76.3-88.3000109.5V1238 L1255 V1257 F1263 A1264 Y1267V1238-F1240 HydrophobicContact CB-CD2 4.32Å; V1238-F1240 HydrophobicContact CB-CE2 3.83Å; V1238-F1240 HydrophobicContact CG1-CD2 4.13Å; V1238-F1240 HydrophobicContact CG1-CE2 3.54Å; V1238-F1240 HydrophobicContact CG1-CZ 4.13Å; V1238-F1240 WeakPolarHBondContact O-CD2 3Å; V1238-F1240 PolarHBondContact O-N 3.19Å; F1240-L1255 PolarHBondContact N-O 3.06Å; F1240-L1255 PolarHBondContact O-N 2.9Å; F1240-L1255 VanDerWaalsContact O-O 3.1Å; F1240-V1257 HydrophobicContact CB-CG2 4.14Å; F1240-V1257 HydrophobicContact CD2-CB 3.77Å; F1240-V1257 HydrophobicContact CD2-CG2 3.59Å; F1240-V1257 HydrophobicContact CE2-CB 4.21Å; F1240-V1257 HydrophobicContact CE2-CG2 4.42Å; F1240-V1257 HydrophobicContact CG-CG2 4.19Å; F1240-F1263 AromaticContact CD1-CE2 3.9Å; F1240-F1263 HydrophobicContact CD1-CE2 3.9Å; F1240-F1263 AromaticContact CD2-CE2 3.74Å; F1240-F1263 HydrophobicContact CD2-CE2 3.74Å; F1240-F1263 HydrophobicContact CD2-CZ 4.44Å; F1240-F1263 AromaticContact CE1-CD2 3.85Å; F1240-F1263 HydrophobicContact CE1-CD2 3.85Å; F1240-F1263 AromaticContact CE1-CE2 3.63Å; F1240-F1263 HydrophobicContact CE1-CE2 3.63Å; F1240-F1263 AromaticContact CE2-CD2 3.99Å; F1240-F1263 HydrophobicContact CE2-CD2 3.99Å; F1240-F1263 AromaticContact CE2-CE2 3.44Å; F1240-F1263 HydrophobicContact CE2-CE2 3.44Å; F1240-F1263 VanDerWaalsContact CE2-CE2 3.44Å; F1240-F1263 HydrophobicContact CE2-CZ 4.39Å; F1240-F1263 AromaticContact CG-CE2 3.95Å; F1240-F1263 HydrophobicContact CG-CE2 3.95Å; F1240-F1263 AromaticContact CZ-CD2 3.54Å; F1240-F1263 HydrophobicContact CZ-CD2 3.54Å; F1240-F1263 AromaticContact CZ-CE2 3.4Å; F1240-F1263 HydrophobicContact CZ-CE2 3.4Å; F1240-A1264 HydrophobicContact CE2-CB 3.87Å; F1240-A1264 HydrophobicContact CZ-CB 4.43Å; F1240-Y1267 HydrophobicContact CE1-CD2 4.5Å; F1240-Y1267 HydrophobicContact CE1-CG 4.42Å; F1240-Y1267 HydrophobicContact CZ-CD1 4.32Å; F1240-Y1267 HydrophobicContact CZ-CG 4.01Å
1241T84.6Confident67.5Low86 Ų86114.3 Ų114.353%0.52860%0.601SS.*EExtended strand (participates in β ladder)trans-116.2117.5172.1-58.50000108.9L1252T1241-L1252 HydrophobicContact CG2-CB 3.7Å; T1241-L1252 HydrophobicContact CG2-CD2 3.82Å; T1241-L1252 HydrophobicContact CG2-CG 4.27Å
1242L80.3Confident70.2Confident90 Ų90117 Ų11747%0.47160%0.602SS.*EExtended strand (participates in β ladder)trans-81.8120.2171.9-175.983000109.2S1244 I1253 L1255L1242-S1244 PolarHBondContact O-N 2.91Å; L1242-I1253 HydrophobicContact CB-CB 4.31Å; L1242-I1253 HydrophobicContact CD2-CD1 4.43Å; L1242-I1253 PolarHBondContact N-O 3.3Å; L1242-I1253 PolarHBondContact O-N 2.84Å; L1242-L1255 HydrophobicContact CB-CD1 3.59Å; L1242-L1255 HydrophobicContact CB-CG 4.16Å; L1242-L1255 HydrophobicContact CD1-CD1 4.32Å; L1242-L1255 HydrophobicContact CD2-CD1 4.4Å; L1242-L1255 HydrophobicContact CG-CD1 4.32Å
1243V84.3Confident72.4Confident92 Ų92110.9 Ų110.956%0.55858%0.575SS**EExtended strand (participates in β ladder)trans-90.2104.7173.5-168.90000108.7P1250 L1252V1243-P1250 HydrophobicContact CG1-CB 3.79Å; V1243-L1252 HydrophobicContact CB-CD2 4.26Å; V1243-L1252 HydrophobicContact CG1-CD2 4.11Å; V1243-L1252 HydrophobicContact CG2-CD2 3.63Å
1244S78.6Confident74.5Confident48 Ų48108.8 Ų108.834%0.33657%0.569SS.*EExtended strand (participates in β ladder)trans-101.6133.1174.9175.20000110.5L1242 H1251L1242-S1244 PolarHBondContact O-N 2.91Å; S1244-H1251 PolarHBondContact N-O 3.04Å; S1244-H1251 WeakPolarHBondContact O-CA 3.32Å; S1244-H1251 WeakPolarHBondContact O-CB 3.19Å; S1244-H1251 PolarHBondContact O-N 3.31Å
1245R72.3Confident76.2Confident218 Ų218106.5 Ų106.582%0.82356%0.557SS**EExtended strand (participates in β ladder)trans-94.3111.3172.3-83-173.5179.3-176.60.3110
1246R63.8Low77.6Confident226 Ų226101 Ų10185%0.85354%0.542SS*.SBendtrans-116.690.9165.6-157.7178.6-172.6-168.62108.2
1247G70.8Confident78.4Confident60 Ų6097.1 Ų97.162%0.61952%0.522SS*.SBendtrans83.1-159.8-170.900000113.3K1249G1247-K1249 PolarHBondContact O-N 2.97Å
1248N66.9Low78.4Confident181 Ų18197.6 Ų97.697%0.96853%0.526SS*.SBendtrans-76.10.1-173.9-90.43.5000115.2
1249K60.9Low78.2Confident176 Ų17699.6 Ų99.677%0.76554%0.536SS*.SBendtrans-114.8127.6174.6-74.1-176.4176.5-178.70110.4G1247G1247-K1249 PolarHBondContact O-N 2.97Å
1250P75.1Confident77.9Confident82 Ų8299.1 Ų99.153%0.53254%0.536SS..EExtended strand (participates in β ladder)trans-65133.5170.927.2-31.4000109.5V1243V1243-P1250 HydrophobicContact CG1-CB 3.79Å
1251H74.2Confident77.8Confident114 Ų11499.3 Ų99.353%0.52854%0.541SS..EExtended strand (participates in β ladder)trans-105.1119.5176.2-161.6-61.3000108.4S1244S1244-H1251 PolarHBondContact N-O 3.04Å; S1244-H1251 WeakPolarHBondContact O-CA 3.32Å; S1244-H1251 WeakPolarHBondContact O-CB 3.19Å; S1244-H1251 PolarHBondContact O-N 3.31Å
1252L85.1Confident77.6Confident111 Ų111102.7 Ų102.758%0.58155%0.551SS**EExtended strand (participates in β ladder)trans-88.8125.4178.5-60.9173.6000108.7T1241 V1243T1241-L1252 HydrophobicContact CG2-CB 3.7Å; T1241-L1252 HydrophobicContact CG2-CD2 3.82Å; T1241-L1252 HydrophobicContact CG2-CG 4.27Å; V1243-L1252 HydrophobicContact CB-CD2 4.26Å; V1243-L1252 HydrophobicContact CG1-CD2 4.11Å; V1243-L1252 HydrophobicContact CG2-CD2 3.63Å
1253I81.4Confident77.7Confident65 Ų65103.5 Ų103.533%0.33355%0.551SS.*EExtended strand (participates in β ladder)trans-119.7111.9178.1-58.1173000107.5L1242L1242-I1253 HydrophobicContact CB-CB 4.31Å; L1242-I1253 HydrophobicContact CD2-CD1 4.43Å; L1242-I1253 PolarHBondContact N-O 3.3Å; L1242-I1253 PolarHBondContact O-N 2.84Å
1254P83.2Confident77.6Confident106 Ų10699.1 Ų99.169%0.68852%0.524SS*.EExtended strand (participates in β ladder)trans-66.3135174.626.1-31000110.3
1255L81.2Confident77.8Confident76 Ų7699 Ų9940%0.39853%0.525SS..EExtended strand (participates in β ladder)trans-127.5127.4178.8-73.8176.6000109.1F1240 L1242 V1257F1240-L1255 PolarHBondContact N-O 3.06Å; F1240-L1255 PolarHBondContact O-N 2.9Å; F1240-L1255 VanDerWaalsContact O-O 3.1Å; L1242-L1255 HydrophobicContact CB-CD1 3.59Å; L1242-L1255 HydrophobicContact CB-CG 4.16Å; L1242-L1255 HydrophobicContact CD1-CD1 4.32Å; L1242-L1255 HydrophobicContact CD2-CD1 4.4Å; L1242-L1255 HydrophobicContact CG-CD1 4.32Å; L1255-V1257 HydrophobicContact CB-CG2 4.33Å
1256A84.6Confident78.2Confident68 Ų6897.2 Ų97.256%0.56252%0.519SS*.EExtended strand (participates in β ladder)trans-90.7106.9168.700000108.7T1237T1237-A1256 HydrophobicContact CG2-CB 4.4Å
1257V84Confident79.2Confident19 Ų1992.8 Ų92.812%0.11550%0.503CS..EExtended strand (participates in β ladder)trans-100.1125.2-176.5-177.50000109.4T1237 V1238 F1240 L1255 N1259 V1261 F1263 A1264T1237-V1257 CarbonylContact C-O 3.57Å; T1237-V1257 WeakPolarHBondContact CA-O 3.34Å; V1238-V1257 PolarHBondContact N-O 3.42Å; V1238-V1257 PolarHBondContact O-N 3.4Å; F1240-V1257 HydrophobicContact CB-CG2 4.14Å; F1240-V1257 HydrophobicContact CD2-CB 3.77Å; F1240-V1257 HydrophobicContact CD2-CG2 3.59Å; F1240-V1257 HydrophobicContact CE2-CB 4.21Å; F1240-V1257 HydrophobicContact CE2-CG2 4.42Å; F1240-V1257 HydrophobicContact CG-CG2 4.19Å; L1255-V1257 HydrophobicContact CB-CG2 4.33Å; V1257-N1259 PolarHBondContact O-N 3.28Å; V1257-V1261 HydrophobicContact CG1-CB 3.85Å; V1257-V1261 HydrophobicContact CG1-CG1 4.27Å; V1257-V1261 HydrophobicContact CG1-CG2 3.77Å; V1257-F1263 HydrophobicContact CB-CZ 4.26Å; V1257-F1263 HydrophobicContact CG1-CE1 4.08Å; V1257-F1263 HydrophobicContact CG1-CE2 4.29Å; V1257-F1263 HydrophobicContact CG1-CZ 3.62Å; V1257-F1263 HydrophobicContact CG2-CE2 4.46Å; V1257-F1263 HydrophobicContact CG2-CZ 3.96Å; V1257-A1264 HydrophobicContact CG1-CB 4.05Å
1258P82.3Confident79.8Confident61 Ų6193.6 Ų93.640%0.39649%0.493SS..EExtended strand (participates in β ladder)trans-55.1139176-26.334.8000112.7N1236 S1260 V1261N1236-P1258 CarbonylContact O-C 3.4Å; N1236-P1258 VanDerWaalsContact O-CA 3.27Å; N1236-P1258 WeakPolarHBondContact O-CA 3.45Å; P1258-S1260 PolarHBondContact O-N 3.01Å; P1258-S1260 VanDerWaalsContact O-N 3.14Å; P1258-V1261 HydrophobicContact CB-CG2 4.47Å; P1258-V1261 WeakPolarHBondContact O-CB 3.34Å; P1258-V1261 WeakPolarHBondContact O-CG2 3.2Å; P1258-V1261 PolarHBondContact O-N 3.2Å
1259N77.5Confident80.5Confident54 Ų5491.9 Ų91.929%0.28948%0.479SS..THydrogen-bonded Turntrans-61-1917760.82.6000113.3N1236 V1238 V1257 V1261 A1265 I1268N1236-N1259 VanDerWaalsContact O-CG 3.29Å; N1236-N1259 PolarHBondContact O-N 3Å; N1236-N1259 PolarHBondContact O-OD1 2.83Å; N1236-N1259 PolarHBondContact OD1-ND2 3.3Å; V1238-N1259 HydrophobicContact CG2-CB 4.5Å; V1257-N1259 PolarHBondContact O-N 3.28Å; N1259-V1261 PolarHBondContact O-N 3.25Å; N1259-A1265 WeakPolarHBondContact O-CB 3.33Å; N1259-I1268 HydrophobicContact CB-CD1 3.83Å
1260S79Confident81.6Confident99 Ų9986.3 Ų86.369%0.69247%0.466SS*.THydrogen-bonded Turntrans-64.4-20.9172.360.20000113.3P1258 Q1262P1258-S1260 PolarHBondContact O-N 3.01Å; P1258-S1260 VanDerWaalsContact O-N 3.14Å; S1260-Q1262 PolarHBondContact O-N 3.3Å
1261V83.8Confident81.8Confident53 Ų5384 Ų8432%0.32145%0.453SS..SBendtrans-74.8127177.8-174.70000109.5V1257 P1258 N1259 F1263 A1264 A1265V1257-V1261 HydrophobicContact CG1-CB 3.85Å; V1257-V1261 HydrophobicContact CG1-CG1 4.27Å; V1257-V1261 HydrophobicContact CG1-CG2 3.77Å; P1258-V1261 HydrophobicContact CB-CG2 4.47Å; P1258-V1261 WeakPolarHBondContact O-CB 3.34Å; P1258-V1261 WeakPolarHBondContact O-CG2 3.2Å; P1258-V1261 PolarHBondContact O-N 3.2Å; N1259-V1261 PolarHBondContact O-N 3.25Å; V1261-F1263 VanDerWaalsContact C-N 3.27Å; V1261-F1263 HydrophobicContact CB-CD1 4.5Å; V1261-F1263 HydrophobicContact CB-CE1 4.38Å; V1261-F1263 HydrophobicContact CG1-CD1 3.38Å; V1261-F1263 HydrophobicContact CG1-CE1 3.37Å; V1261-F1263 HydrophobicContact CG1-CG 4.4Å; V1261-F1263 HydrophobicContact CG1-CZ 4.38Å; V1261-F1263 PolarHBondContact O-N 3.24Å; V1261-F1263 VanDerWaalsContact O-N 3.08Å; V1261-A1264 HydrophobicContact CB-CB 4.33Å; V1261-A1264 WeakPolarHBondContact O-CA 3.5Å; V1261-A1264 WeakPolarHBondContact O-CB 3.45Å; V1261-A1264 PolarHBondContact O-N 3.26Å; V1261-A1265 PolarHBondContact O-N 3.01Å
1262Q80.8Confident82.2Confident158 Ų15881.2 Ų81.274%0.73845%0.45SS*.Hα-helixtrans-53.1-38.2-170.7-73.7-164.1-6.800114.8S1260 R1266S1260-Q1262 PolarHBondContact O-N 3.3Å; Q1262-R1266 WeakPolarHBondContact O-CB 3.5Å; Q1262-R1266 WeakPolarHBondContact O-CG 3.48Å; Q1262-R1266 PolarHBondContact O-N 3.42Å
1263F82.4Confident82.2Confident107 Ų10778.5 Ų78.547%0.46944%0.443SS..Hα-helixtrans-72.7-33.1178.778.9-97.3000112.2F1240 V1257 V1261 Y1267F1240-F1263 AromaticContact CD1-CE2 3.9Å; F1240-F1263 HydrophobicContact CD1-CE2 3.9Å; F1240-F1263 AromaticContact CD2-CE2 3.74Å; F1240-F1263 HydrophobicContact CD2-CE2 3.74Å; F1240-F1263 HydrophobicContact CD2-CZ 4.44Å; F1240-F1263 AromaticContact CE1-CD2 3.85Å; F1240-F1263 HydrophobicContact CE1-CD2 3.85Å; F1240-F1263 AromaticContact CE1-CE2 3.63Å; F1240-F1263 HydrophobicContact CE1-CE2 3.63Å; F1240-F1263 AromaticContact CE2-CD2 3.99Å; F1240-F1263 HydrophobicContact CE2-CD2 3.99Å; F1240-F1263 AromaticContact CE2-CE2 3.44Å; F1240-F1263 HydrophobicContact CE2-CE2 3.44Å; F1240-F1263 VanDerWaalsContact CE2-CE2 3.44Å; F1240-F1263 HydrophobicContact CE2-CZ 4.39Å; F1240-F1263 AromaticContact CG-CE2 3.95Å; F1240-F1263 HydrophobicContact CG-CE2 3.95Å; F1240-F1263 AromaticContact CZ-CD2 3.54Å; F1240-F1263 HydrophobicContact CZ-CD2 3.54Å; F1240-F1263 AromaticContact CZ-CE2 3.4Å; F1240-F1263 HydrophobicContact CZ-CE2 3.4Å; V1257-F1263 HydrophobicContact CB-CZ 4.26Å; V1257-F1263 HydrophobicContact CG1-CE1 4.08Å; V1257-F1263 HydrophobicContact CG1-CE2 4.29Å; V1257-F1263 HydrophobicContact CG1-CZ 3.62Å; V1257-F1263 HydrophobicContact CG2-CE2 4.46Å; V1257-F1263 HydrophobicContact CG2-CZ 3.96Å; V1261-F1263 VanDerWaalsContact C-N 3.27Å; V1261-F1263 HydrophobicContact CB-CD1 4.5Å; V1261-F1263 HydrophobicContact CB-CE1 4.38Å; V1261-F1263 HydrophobicContact CG1-CD1 3.38Å; V1261-F1263 HydrophobicContact CG1-CE1 3.37Å; V1261-F1263 HydrophobicContact CG1-CG 4.4Å; V1261-F1263 HydrophobicContact CG1-CZ 4.38Å; V1261-F1263 PolarHBondContact O-N 3.24Å; V1261-F1263 VanDerWaalsContact O-N 3.08Å; F1263-Y1267 WeakPolarHBondContact O-CB 3.27Å; F1263-Y1267 PolarHBondContact O-N 2.94Å
1264A81.7Confident82.3Confident0 Ų081.1 Ų81.10%045%0.454CS..Hα-helixtrans-69-43.817400000110.8V1238 F1240 V1257 V1261 Y1267 I1268V1238-A1264 HydrophobicContact CB-CB 4.27Å; V1238-A1264 HydrophobicContact CG2-CB 4.13Å; F1240-A1264 HydrophobicContact CE2-CB 3.87Å; F1240-A1264 HydrophobicContact CZ-CB 4.43Å; V1257-A1264 HydrophobicContact CG1-CB 4.05Å; V1261-A1264 HydrophobicContact CB-CB 4.33Å; V1261-A1264 WeakPolarHBondContact O-CA 3.5Å; V1261-A1264 WeakPolarHBondContact O-CB 3.45Å; V1261-A1264 PolarHBondContact O-N 3.26Å; A1264-Y1267 PolarHBondContact O-N 3.46Å; A1264-I1268 WeakPolarHBondContact O-CG1 3.39Å; A1264-I1268 PolarHBondContact O-N 3.05Å
1265A82.3Confident82.2Confident44 Ų4484.9 Ų84.936%0.36446%0.455SS..Hα-helixtrans-58.4-47.1172.300000112.1N1259 V1261 Y1267 I1268 Q1269N1259-A1265 WeakPolarHBondContact O-CB 3.33Å; V1261-A1265 PolarHBondContact O-N 3.01Å; A1265-Y1267 VanDerWaalsContact C-N 3.33Å; A1265-Y1267 PolarHBondContact O-N 3.45Å; A1265-I1268 PolarHBondContact O-N 3.14Å; A1265-Q1269 WeakPolarHBondContact O-CB 3.5Å; A1265-Q1269 PolarHBondContact O-N 2.77Å
1266R81.1Confident82.3Confident182 Ų18286.8 Ų86.869%0.68746%0.462SS*.Hα-helixtrans-62.1-38.8175.9-82.9-179.4161.3-173.2-4.5112.6Q1262 Q1269 A1270Q1262-R1266 WeakPolarHBondContact O-CB 3.5Å; Q1262-R1266 WeakPolarHBondContact O-CG 3.48Å; Q1262-R1266 PolarHBondContact O-N 3.42Å; R1266-Q1269 PolarHBondContact O-N 3.29Å; R1266-A1270 VanDerWaalsContact O-CB 3.29Å; R1266-A1270 WeakPolarHBondContact O-CB 3.43Å; R1266-A1270 PolarHBondContact O-N 2.82Å
1267Y85Confident82.2Confident133 Ų13389.9 Ų89.952%0.52247%0.465SS..Hα-helixtrans-63.5-45.4175.8178.2-94.6000111.5V1238 F1240 F1263 A1264 A1265 Q1269 A1270 A1271V1238-Y1267 HydrophobicContact CG1-CD1 3.77Å; V1238-Y1267 HydrophobicContact CG1-CE1 4.08Å; F1240-Y1267 HydrophobicContact CE1-CD2 4.5Å; F1240-Y1267 HydrophobicContact CE1-CG 4.42Å; F1240-Y1267 HydrophobicContact CZ-CD1 4.32Å; F1240-Y1267 HydrophobicContact CZ-CG 4.01Å; F1263-Y1267 WeakPolarHBondContact O-CB 3.27Å; F1263-Y1267 PolarHBondContact O-N 2.94Å; A1264-Y1267 PolarHBondContact O-N 3.46Å; A1265-Y1267 VanDerWaalsContact C-N 3.33Å; A1265-Y1267 PolarHBondContact O-N 3.45Å; Y1267-Q1269 VanDerWaalsContact C-N 3.34Å; Y1267-Q1269 PolarHBondContact O-N 3.3Å; Y1267-A1270 PolarHBondContact O-N 3.07Å; Y1267-A1271 VanDerWaalsContact O-CB 3.27Å; Y1267-A1271 WeakPolarHBondContact O-CB 3.43Å; Y1267-A1271 PolarHBondContact O-N 3.04Å
1268I82.7Confident82.1Confident77 Ų7793.7 Ų93.740%0.39548%0.477SS..Hα-helixtrans-59.7-46.5174.8-65.8161.7000110.4V1238 N1259 A1264 A1265 A1271 A1272V1238-I1268 HydrophobicContact CG2-CD1 3.41Å; V1238-I1268 VanDerWaalsContact CG2-CD1 3.41Å; V1238-I1268 HydrophobicContact CG2-CG1 3.68Å; N1259-I1268 HydrophobicContact CB-CD1 3.83Å; A1264-I1268 WeakPolarHBondContact O-CG1 3.39Å; A1264-I1268 PolarHBondContact O-N 3.05Å; A1265-I1268 PolarHBondContact O-N 3.14Å; I1268-A1271 PolarHBondContact O-N 3.25Å; I1268-A1272 WeakPolarHBondContact O-CB 3.21Å; I1268-A1272 PolarHBondContact O-N 2.82Å
1269Q83Confident82.1Confident144 Ų14493.4 Ų93.467%0.67348%0.48SS*.Hα-helixtrans-64-42.5-179.3-168.9177.41500112.1A1265 R1266 Y1267 A1272 A1273A1265-Q1269 WeakPolarHBondContact O-CB 3.5Å; A1265-Q1269 PolarHBondContact O-N 2.77Å; R1266-Q1269 PolarHBondContact O-N 3.29Å; Y1267-Q1269 VanDerWaalsContact C-N 3.34Å; Y1267-Q1269 PolarHBondContact O-N 3.3Å; Q1269-A1272 PolarHBondContact O-N 2.82Å; Q1269-A1273 WeakPolarHBondContact O-CB 3.13Å; Q1269-A1273 PolarHBondContact O-N 3.45Å
1270A82.5Confident82.4Confident60 Ų6099.3 Ų99.350%0.49650%0.498SS..Hα-helixtrans-65.3-42.3175.900000111.8R1266 Y1267 A1272 A1273 E1274R1266-A1270 VanDerWaalsContact O-CB 3.29Å; R1266-A1270 WeakPolarHBondContact O-CB 3.43Å; R1266-A1270 PolarHBondContact O-N 2.82Å; Y1267-A1270 PolarHBondContact O-N 3.07Å; A1270-A1272 VanDerWaalsContact C-N 3.32Å; A1270-A1272 PolarHBondContact O-N 3.42Å; A1270-A1273 PolarHBondContact O-N 3.01Å; A1270-E1274 WeakPolarHBondContact O-CB 3.35Å; A1270-E1274 PolarHBondContact O-N 3.44Å
1271A81.1Confident82.5Confident32 Ų3298.9 Ų98.926%0.26449%0.486SS..Hα-helixtrans-67.1-32.5176.700000112.7Y1267 I1268 R1275Y1267-A1271 VanDerWaalsContact O-CB 3.27Å; Y1267-A1271 WeakPolarHBondContact O-CB 3.43Å; Y1267-A1271 PolarHBondContact O-N 3.04Å; I1268-A1271 PolarHBondContact O-N 3.25Å; A1271-R1275 WeakPolarHBondContact O-CB 3.49Å; A1271-R1275 PolarHBondContact O-N 3.22Å; A1271-R1275 VanDerWaalsContact O-N 3.13Å
1272A81.7Confident82.5Confident56 Ų56102.2 Ų102.246%0.46350%0.496SS..Hα-helixtrans-68.9-44.7172.500000111.3I1268 Q1269 A1270 R1275 E1276I1268-A1272 WeakPolarHBondContact O-CB 3.21Å; I1268-A1272 PolarHBondContact O-N 2.82Å; Q1269-A1272 PolarHBondContact O-N 2.82Å; A1270-A1272 VanDerWaalsContact C-N 3.32Å; A1270-A1272 PolarHBondContact O-N 3.42Å; A1272-R1275 PolarHBondContact O-N 3.16Å; A1272-E1276 PolarHBondContact O-N 3.02Å
1273A84.9Confident82.6Confident54 Ų54101.5 Ų101.545%0.44649%0.493SS..Hα-helixtrans-62.7-44.4176.300000112.2Q1269 A1270 R1275 E1276 E1277Q1269-A1273 WeakPolarHBondContact O-CB 3.13Å; Q1269-A1273 PolarHBondContact O-N 3.45Å; A1270-A1273 PolarHBondContact O-N 3.01Å; A1273-R1275 VanDerWaalsContact C-N 3.29Å; A1273-R1275 PolarHBondContact O-N 3.37Å; A1273-E1276 PolarHBondContact O-N 3.33Å; A1273-E1277 WeakPolarHBondContact O-CB 3.49Å; A1273-E1277 PolarHBondContact O-N 3.46Å
1274E84.2Confident82.8Confident120 Ų120101.3 Ų101.356%0.56150%0.496SS*.Hα-helixtrans-62.2-37.8176.1-171.6-174.4166.600111.5A1270 E1277 R1278A1270-E1274 WeakPolarHBondContact O-CB 3.35Å; A1270-E1274 PolarHBondContact O-N 3.44Å; E1274-E1277 PolarHBondContact O-N 3.5Å; E1274-R1278 VanDerWaalsContact O-CB 3.25Å; E1274-R1278 WeakPolarHBondContact O-CB 3.46Å; E1274-R1278 PolarHBondContact O-N 3.42Å
1275R80.3Confident83Confident186 Ų186101.5 Ų101.570%0.70250%0.497SS*.Hα-helixtrans-66.2-41.2175.6179.4179-99.191.6-4.3111.9A1271 A1272 A1273 R1278 A1279A1271-R1275 WeakPolarHBondContact O-CB 3.49Å; A1271-R1275 PolarHBondContact O-N 3.22Å; A1271-R1275 VanDerWaalsContact O-N 3.13Å; A1272-R1275 PolarHBondContact O-N 3.16Å; A1273-R1275 VanDerWaalsContact C-N 3.29Å; A1273-R1275 PolarHBondContact O-N 3.37Å; R1275-R1278 PolarHBondContact O-N 2.97Å; R1275-A1279 WeakPolarHBondContact O-CB 3.47Å; R1275-A1279 PolarHBondContact O-N 3.32Å
1276E84.4Confident82.9Confident115 Ų115104.8 Ų104.854%0.53751%0.508SS..Hα-helixtrans-64.5-43.4175.7-170.2-175.1162.100111.3A1272 A1273 R1278 A1279 R1280A1272-E1276 PolarHBondContact O-N 3.02Å; A1273-E1276 PolarHBondContact O-N 3.33Å; E1276-R1278 PolarHBondContact O-N 3.35Å; E1276-A1279 PolarHBondContact O-N 2.78Å; E1276-R1280 PolarHBondContact O-N 3.08Å; E1276-R1280 IonicContact OE1-NE 2.72Å; E1276-R1280 IonicContact OE1-NH2 2.67Å
1277E82.5Confident83.1Confident134 Ų134102 Ų10263%0.62650%0.503SS*.Hα-helixtrans-63.8-42.2177.2-170172.3-170.200111.6A1273 E1274 A1279 R1280 M1281A1273-E1277 WeakPolarHBondContact O-CB 3.49Å; A1273-E1277 PolarHBondContact O-N 3.46Å; E1274-E1277 PolarHBondContact O-N 3.5Å; E1277-A1279 VanDerWaalsContact C-N 3.33Å; E1277-A1279 PolarHBondContact O-N 3.36Å; E1277-R1280 PolarHBondContact O-N 3.35Å; E1277-M1281 WeakPolarHBondContact O-CB 3.46Å; E1277-M1281 PolarHBondContact O-N 3.49Å
1278R81.9Confident82.7Confident99 Ų9999 Ų9937%0.37449%0.494SS..Hα-helixtrans-65-36.3175.6-158.1173.4-173.3141.7-0.7112E1274 R1275 E1276 K1282 F1338 G1339E1274-R1278 VanDerWaalsContact O-CB 3.25Å; E1274-R1278 WeakPolarHBondContact O-CB 3.46Å; E1274-R1278 PolarHBondContact O-N 3.42Å; R1275-R1278 PolarHBondContact O-N 2.97Å; E1276-R1278 PolarHBondContact O-N 3.35Å; R1278-K1282 WeakPolarHBondContact O-CB 3.43Å; R1278-K1282 PolarHBondContact O-N 2.76Å; R1278-F1338 HydrophobicContact CG-CD1 3.57Å; R1278-F1338 HydrophobicContact CG-CE1 4.02Å; R1278-F1338 PolarHBondContact NH2-O 3.49Å; R1278-F1338 WeakPolarHBondContact O-CE1 3.36Å; R1278-G1339 PolarHBondContact NH2-O 3.22Å
1279A81.2Confident82.6Confident55 Ų5599.6 Ų99.646%0.45550%0.496SS..Hα-helixtrans-68-43.9173.900000112R1275 E1276 E1277 M1281 K1282 Q1283R1275-A1279 WeakPolarHBondContact O-CB 3.47Å; R1275-A1279 PolarHBondContact O-N 3.32Å; E1276-A1279 PolarHBondContact O-N 2.78Å; E1277-A1279 VanDerWaalsContact C-N 3.33Å; E1277-A1279 PolarHBondContact O-N 3.36Å; A1279-M1281 PolarHBondContact O-N 3.49Å; A1279-K1282 PolarHBondContact O-N 3.32Å; A1279-Q1283 PolarHBondContact O-N 3.33Å
1280R83.7Confident82.4Confident178 Ų17899 Ų9967%0.67249%0.492SS*.Hα-helixtrans-59.3-46.4174.3-80.3-168.1-172.9-128.73.5112.1E1276 E1277 K1282 Q1283 L1284E1276-R1280 PolarHBondContact O-N 3.08Å; E1276-R1280 IonicContact OE1-NE 2.72Å; E1276-R1280 IonicContact OE1-NH2 2.67Å; E1277-R1280 PolarHBondContact O-N 3.35Å; R1280-K1282 VanDerWaalsContact C-N 3.3Å; R1280-K1282 PolarHBondContact O-N 3.05Å; R1280-Q1283 PolarHBondContact O-N 3.4Å; R1280-L1284 PolarHBondContact O-N 3.07Å
1281M81.2Confident82.1Confident89 Ų8998.7 Ų98.744%0.43849%0.49SS..Hα-helixtrans-65-37.7179.2-166.274.870.400111E1277 A1279 Q1283 L1284 V1285 F1338E1277-M1281 WeakPolarHBondContact O-CB 3.46Å; E1277-M1281 PolarHBondContact O-N 3.49Å; A1279-M1281 PolarHBondContact O-N 3.49Å; M1281-Q1283 VanDerWaalsContact C-N 3.32Å; M1281-Q1283 PolarHBondContact O-N 3.2Å; M1281-L1284 PolarHBondContact O-N 2.9Å; M1281-V1285 WeakPolarHBondContact O-CG2 3.48Å; M1281-V1285 PolarHBondContact O-N 3.39Å; M1281-F1338 HydrophobicContact CB-CE1 3.68Å; M1281-F1338 HydrophobicContact CB-CZ 3.6Å; M1281-F1338 HydrophobicContact CG-CE1 3.85Å; M1281-F1338 HydrophobicContact CG-CZ 3.5Å; M1281-F1338 VanDerWaalsContact CG-CZ 3.5Å
1282K84.5Confident81.7Confident124 Ų124100.2 Ų100.254%0.53949%0.492SS..Hα-helixtrans-63-40.6175.6-172.3175.8-179.9178.10111.9R1278 A1279 R1280 V1285 L1286 F1338R1278-K1282 WeakPolarHBondContact O-CB 3.43Å; R1278-K1282 PolarHBondContact O-N 2.76Å; A1279-K1282 PolarHBondContact O-N 3.32Å; R1280-K1282 VanDerWaalsContact C-N 3.3Å; R1280-K1282 PolarHBondContact O-N 3.05Å; K1282-V1285 PolarHBondContact O-N 3.15Å; K1282-L1286 PolarHBondContact O-N 3.24Å; K1282-F1338 VanDerWaalsContact CA-CZ 3.41Å; K1282-F1338 HydrophobicContact CB-CD1 4.47Å; K1282-F1338 HydrophobicContact CB-CD2 3.93Å; K1282-F1338 HydrophobicContact CB-CE1 4.27Å; K1282-F1338 HydrophobicContact CB-CE2 3.75Å; K1282-F1338 HydrophobicContact CB-CG 4.33Å; K1282-F1338 HydrophobicContact CB-CZ 3.92Å; K1282-F1338 HydrophobicContact CD-CD2 4.48Å; K1282-F1338 HydrophobicContact CG-CD2 3.93Å; K1282-F1338 HydrophobicContact CG-CE2 4.07Å
1283Q83.1Confident81.3Confident142 Ų142104.2 Ų104.266%0.66450%0.499SS*.Hα-helixtrans-66.8-40.5176.3-167.6151.90.700112A1279 R1280 M1281 V1285 L1286 E1287A1279-Q1283 PolarHBondContact O-N 3.33Å; R1280-Q1283 PolarHBondContact O-N 3.4Å; M1281-Q1283 VanDerWaalsContact C-N 3.32Å; M1281-Q1283 PolarHBondContact O-N 3.2Å; Q1283-V1285 PolarHBondContact O-N 2.85Å; Q1283-L1286 PolarHBondContact O-N 3.47Å; Q1283-E1287 WeakPolarHBondContact O-CB 3.38Å; Q1283-E1287 PolarHBondContact O-N 3.41Å
1284L86.3Confident80.4Confident103 Ų103108.5 Ų108.554%0.53951%0.509SS..Hα-helixtrans-62.6-39.9175.7-15999.3000112.5R1280 M1281 M1288R1280-L1284 PolarHBondContact O-N 3.07Å; M1281-L1284 PolarHBondContact O-N 2.9Å; L1284-M1288 WeakPolarHBondContact O-CB 3.4Å; L1284-M1288 PolarHBondContact O-N 3.4Å
1285V85.2Confident79.5Confident5 Ų5108.1 Ų108.13%0.0351%0.508CS..Hα-helixtrans-68.2-38176.1172.70000111.3M1281 K1282 Q1283 M1288 H1289 P1332 A1334 F1338M1281-V1285 WeakPolarHBondContact O-CG2 3.48Å; M1281-V1285 PolarHBondContact O-N 3.39Å; K1282-V1285 PolarHBondContact O-N 3.15Å; Q1283-V1285 PolarHBondContact O-N 2.85Å; V1285-M1288 HydrophobicContact CG2-CE 4.39Å; V1285-M1288 PolarHBondContact O-N 3.12Å; V1285-H1289 PolarHBondContact O-N 2.89Å; V1285-P1332 WeakPolarHBondContact CG1-O 3.13Å; V1285-A1334 HydrophobicContact CG1-CB 3.83Å; V1285-F1338 HydrophobicContact CB-CE2 4.28Å; V1285-F1338 HydrophobicContact CG2-CE2 4.03Å; V1285-F1338 HydrophobicContact CG2-CZ 4.29Å
1286L81.2Confident78.5Confident112 Ų112105.9 Ų105.959%0.58651%0.505SS*.Hα-helixtrans-65.5-44.7176.3-162.674.8000111.4K1282 Q1283 M1288 H1289 E1290K1282-L1286 PolarHBondContact O-N 3.24Å; Q1283-L1286 PolarHBondContact O-N 3.47Å; L1286-M1288 VanDerWaalsContact C-N 3.32Å; L1286-M1288 PolarHBondContact O-N 2.96Å; L1286-H1289 WeakPolarHBondContact O-CB 3.44Å; L1286-H1289 PolarHBondContact O-N 3.19Å; L1286-H1289 VanDerWaalsContact O-N 3.16Å; L1286-E1290 PolarHBondContact O-N 3.31Å
1287E85Confident77Confident125 Ų125105.8 Ų105.858%0.58451%0.506SS*.Hα-helixtrans-61.2-39.4176-172.7178.3-174.700111.7Q1283 E1290 A1291Q1283-E1287 WeakPolarHBondContact O-CB 3.38Å; Q1283-E1287 PolarHBondContact O-N 3.41Å; E1287-E1290 PolarHBondContact O-N 3.12Å; E1287-A1291 WeakPolarHBondContact O-CB 3.39Å; E1287-A1291 PolarHBondContact O-N 3.23Å
1288M77.2Confident75.3Confident68 Ų68105.6 Ų105.634%0.33551%0.505SS..Hα-helixtrans-66.8-37.1174.6-174.7174.236.600112.6L1284 V1285 L1286 Q1292 A1331 P1332L1284-M1288 WeakPolarHBondContact O-CB 3.4Å; L1284-M1288 PolarHBondContact O-N 3.4Å; V1285-M1288 HydrophobicContact CG2-CE 4.39Å; V1285-M1288 PolarHBondContact O-N 3.12Å; L1286-M1288 VanDerWaalsContact C-N 3.32Å; L1286-M1288 PolarHBondContact O-N 2.96Å; M1288-Q1292 PolarHBondContact O-N 3.01Å; M1288-A1331 HydrophobicContact CB-CB 4.47Å; M1288-A1331 HydrophobicContact CE-CB 3.6Å; M1288-A1331 HydrophobicContact CG-CB 3.9Å; M1288-A1331 HydrophobicContact SD-CB 3.95Å; M1288-P1332 HydrophobicContact CE-CG 4.09Å
1289H80.5Confident73.6Confident91 Ų91109.4 Ų109.442%0.42152%0.52SS..Hα-helixtrans-67.3-39.8173.3-102.7-74.7000112V1285 L1286 K1293V1285-H1289 PolarHBondContact O-N 2.89Å; L1286-H1289 WeakPolarHBondContact O-CB 3.44Å; L1286-H1289 PolarHBondContact O-N 3.19Å; L1286-H1289 VanDerWaalsContact O-N 3.16Å; H1289-K1293 WeakPolarHBondContact O-CB 3.2Å; H1289-K1293 PolarHBondContact O-N 2.93Å
1290E77.3Confident71.7Confident130 Ų130109.5 Ų109.561%0.60753%0.526SS*.Hα-helixtrans-63.6-46.1173-83.6-177.6157.700111.3L1286 E1287 Q1292 K1293 E1294L1286-E1290 PolarHBondContact O-N 3.31Å; E1287-E1290 PolarHBondContact O-N 3.12Å; E1290-Q1292 PolarHBondContact O-N 3.06Å; E1290-K1293 WeakPolarHBondContact O-CB 3.44Å; E1290-K1293 PolarHBondContact O-N 3.4Å; E1290-K1293 VanDerWaalsContact O-N 3.11Å; E1290-E1294 WeakPolarHBondContact O-CB 3.33Å; E1290-E1294 PolarHBondContact O-N 2.85Å
1291A77.8Confident69.8Low54 Ų54108.2 Ų108.245%0.44653%0.527SS..Hα-helixtrans-60.9-41.6177.600000112.6E1287 K1293 E1294 E1295E1287-A1291 WeakPolarHBondContact O-CB 3.39Å; E1287-A1291 PolarHBondContact O-N 3.23Å; A1291-K1293 VanDerWaalsContact C-N 3.34Å; A1291-E1294 PolarHBondContact O-N 3.33Å; A1291-E1295 WeakPolarHBondContact O-CB 3.42Å; A1291-E1295 PolarHBondContact O-N 3Å
1292Q72.2Confident67.7Low65 Ų65112.5 Ų112.530%0.30454%0.54SS..Hα-helixtrans-63.8-40.5173.6-80.3-165.7-73.500112.1M1288 E1290 E1294 E1295 E1296M1288-Q1292 PolarHBondContact O-N 3.01Å; E1290-Q1292 PolarHBondContact O-N 3.06Å; Q1292-E1294 VanDerWaalsContact C-N 3.32Å; Q1292-E1295 PolarHBondContact O-N 3.46Å; Q1292-E1296 WeakPolarHBondContact O-CB 3.49Å; Q1292-E1296 WeakPolarHBondContact O-CG 3.35Å; Q1292-E1296 PolarHBondContact O-N 3.21Å
1293K72Confident65.4Low140 Ų140110 Ų11061%0.60955%0.549SS*.Hα-helixtrans-68.9-34.7-180-162.2178.1-174.3-179.50111.7H1289 E1290 A1291 M1297H1289-K1293 WeakPolarHBondContact O-CB 3.2Å; H1289-K1293 PolarHBondContact O-N 2.93Å; E1290-K1293 WeakPolarHBondContact O-CB 3.44Å; E1290-K1293 PolarHBondContact O-N 3.4Å; E1290-K1293 VanDerWaalsContact O-N 3.11Å; A1291-K1293 VanDerWaalsContact C-N 3.34Å; K1293-M1297 WeakPolarHBondContact O-CB 3.46Å; K1293-M1297 PolarHBondContact O-N 3.04Å
1294E67.8Low63.1Low143 Ų143105 Ų10567%0.66854%0.536SS*.Hα-helixtrans-68.5-43.6173.1-168.1162.3-146.400110.9E1290 A1291 Q1292 E1296 M1297 E1298E1290-E1294 WeakPolarHBondContact O-CB 3.33Å; E1290-E1294 PolarHBondContact O-N 2.85Å; A1291-E1294 PolarHBondContact O-N 3.33Å; Q1292-E1294 VanDerWaalsContact C-N 3.32Å; E1294-E1296 PolarHBondContact O-N 3.1Å; E1294-M1297 PolarHBondContact O-N 3.48Å; E1294-M1297 VanDerWaalsContact O-N 3.16Å; E1294-E1298 WeakPolarHBondContact O-CB 3.43Å; E1294-E1298 PolarHBondContact O-N 2.84Å
1295E64.3Low60.7Low112 Ų112105.8 Ų105.852%0.52355%0.547SS..Hα-helixtrans-59-47.8173.5-160.7178.2-166.200110.7A1291 Q1292 M1297 E1298 W1299A1291-E1295 WeakPolarHBondContact O-CB 3.42Å; A1291-E1295 PolarHBondContact O-N 3Å; Q1292-E1295 PolarHBondContact O-N 3.46Å; E1295-M1297 VanDerWaalsContact C-N 3.31Å; E1295-M1297 PolarHBondContact O-N 3.38Å; E1295-E1298 PolarHBondContact O-N 3.27Å; E1295-W1299 PolarHBondContact O-N 3.16Å
1296E58.5Low58.3Low139 Ų139111.7 Ų111.765%0.6558%0.578SS**Hα-helixtrans-60-36.8175-76.2178.3178.200113.2Q1292 E1294 G1300Q1292-E1296 WeakPolarHBondContact O-CB 3.49Å; Q1292-E1296 WeakPolarHBondContact O-CG 3.35Å; Q1292-E1296 PolarHBondContact O-N 3.21Å; E1294-E1296 PolarHBondContact O-N 3.1Å; E1296-G1300 PolarHBondContact O-N 3.29Å
1297M53.5Low56.3Low114 Ų114108.7 Ų108.756%0.56257%0.57SS**Hα-helixtrans-71.3-39177.1-160.3179.2-57.200111.6K1293 E1294 E1295 G1300 H1301K1293-M1297 WeakPolarHBondContact O-CB 3.46Å; K1293-M1297 PolarHBondContact O-N 3.04Å; E1294-M1297 PolarHBondContact O-N 3.48Å; E1294-M1297 VanDerWaalsContact O-N 3.16Å; E1295-M1297 VanDerWaalsContact C-N 3.31Å; E1295-M1297 PolarHBondContact O-N 3.38Å; M1297-G1300 PolarHBondContact O-N 3.02Å; M1297-H1301 PolarHBondContact O-CD2 2.9Å; M1297-H1301 PolarHBondContact O-N 3.15Å
1298E47.8Very low54.1Low130 Ų130108.4 Ų108.461%0.60758%0.576SS**Hα-helixtrans-64.4-42.7176.2-145.7177.7-164.200110.9E1294 E1295 H1301 Y1302E1294-E1298 WeakPolarHBondContact O-CB 3.43Å; E1294-E1298 PolarHBondContact O-N 2.84Å; E1295-E1298 PolarHBondContact O-N 3.27Å; E1298-H1301 PolarHBondContact O-N 2.88Å; E1298-Y1302 WeakPolarHBondContact O-CD2 3.43Å
1299W45.8Very low52.1Low179 Ų179110.8 Ų110.868%0.67859%0.59SS**Hα-helixtrans-66.9-37.5172.6-74.8107.5000112.6E1295 H1301 Y1302E1295-W1299 PolarHBondContact O-N 3.16Å; W1299-H1301 PolarHBondContact O-N 3.21Å; W1299-Y1302 PolarHBondContact O-N 3.49Å
1300G42Very low49.9Very low56 Ų56109.2 Ų109.258%0.57759%0.592SS**Hα-helixtrans-63.1-25.7177.500000114.1E1296 M1297 Y1302E1296-G1300 PolarHBondContact O-N 3.29Å; M1297-G1300 PolarHBondContact O-N 3.02Å; G1300-Y1302 VanDerWaalsContact C-N 3.34Å
1301H43.4Very low47.9Very low152 Ų152111.3 Ų111.370%0.70460%0.602SS**Hα-helixtrans-76.1-18.7176.6-79-52000114.2M1297 E1298 W1299 G1303M1297-H1301 PolarHBondContact O-CD2 2.9Å; M1297-H1301 PolarHBondContact O-N 3.15Å; E1298-H1301 PolarHBondContact O-N 2.88Å; W1299-H1301 PolarHBondContact O-N 3.21Å; H1301-G1303 PolarHBondContact O-N 3.24Å
1302Y35.7Very low45.5Very low179 Ų179116.2 Ų116.270%0.70262%0.616SS**THydrogen-bonded Turntrans-91.940173.3-68.4-79.8000112.4E1298 W1299 G1300 G1304E1298-Y1302 WeakPolarHBondContact O-CD2 3.43Å; W1299-Y1302 PolarHBondContact O-N 3.49Å; G1300-Y1302 VanDerWaalsContact C-N 3.34Å; Y1302-G1304 PolarHBondContact O-N 3.39Å
1303G36.1Very low43.5Very low71 Ų71121.7 Ų121.773%0.73264%0.639SS**  trans-6635.7176.100000115.6H1301H1301-G1303 PolarHBondContact O-N 3.24Å
1304G35Very low41.7Very low38 Ų38120.7 Ų120.739%0.39265%0.647SS.*SBendtrans-77157.4160.600000110.9Y1302 D1306 A1307Y1302-G1304 PolarHBondContact O-N 3.39Å; G1304-D1306 PolarHBondContact O-N 2.98Å; G1304-A1307 PolarHBondContact O-N 2.84Å; G1304-A1307 VanDerWaalsContact O-N 3.1Å
1305P36.1Very low40Very low118 Ų118121.2 Ų121.277%0.76665%0.652SS**THydrogen-bonded Turntrans-60.1-10.5-17420.8-30.6000115.4A1307 V1308P1305-A1307 VanDerWaalsContact C-N 3.27Å; P1305-A1307 PolarHBondContact O-N 2.92Å; P1305-V1308 PolarHBondContact O-N 2.86Å
1306D36.2Very low38.5Very low129 Ų129122.3 Ų122.369%0.6966%0.662SS**THydrogen-bonded Turntrans-69-19.1173.4-87.5-11.6000114.1G1304 V1308 L1309 A1310G1304-D1306 PolarHBondContact O-N 2.98Å; D1306-V1308 PolarHBondContact O-N 3.21Å; D1306-L1309 PolarHBondContact O-N 3.17Å; D1306-A1310 PolarHBondContact O-N 3.41Å
1307A39.3Very low37.4Very low49 Ų49121 Ų12141%0.40566%0.663SS.*Hα-helixtrans-62.7-27.9175.700000112.6G1304 P1305 L1309G1304-A1307 PolarHBondContact O-N 2.84Å; G1304-A1307 VanDerWaalsContact O-N 3.1Å; P1305-A1307 VanDerWaalsContact C-N 3.27Å; P1305-A1307 PolarHBondContact O-N 2.92Å; A1307-L1309 VanDerWaalsContact C-N 3.28Å; A1307-L1309 PolarHBondContact O-N 3.47Å
1308V37.4Very low36.5Very low120 Ų120122.8 Ų122.873%0.72768%0.675SS**Hα-helixtrans-70.4-27.3177.1-174.80000111.4P1305 D1306P1305-V1308 PolarHBondContact O-N 2.86Å; D1306-V1308 PolarHBondContact O-N 3.21Å
1309L34.6Very low35.8Very low117 Ų117125.5 Ų125.561%0.61368%0.68SS**Hα-helixtrans-84.7-27.3-180-72.7170.9000113.2D1306 A1307 H1311 Q1312D1306-L1309 PolarHBondContact O-N 3.17Å; A1307-L1309 VanDerWaalsContact C-N 3.28Å; A1307-L1309 PolarHBondContact O-N 3.47Å; L1309-H1311 PolarHBondContact O-N 2.83Å; L1309-Q1312 PolarHBondContact O-N 3.42Å
1310A34.4Very low35.3Very low58 Ų58124.4 Ų124.448%0.47969%0.687SS.*Hα-helixtrans-66.8-19.6-17900000113.9D1306 Q1312D1306-A1310 PolarHBondContact O-N 3.41Å; A1310-Q1312 VanDerWaalsContact C-N 3.33Å
1311H35.1Very low35Very low174 Ų174132.8 Ų132.881%0.80670%0.701SS**THydrogen-bonded Turntrans-86.32177.6-71.2-60.5000114.9L1309 F1313L1309-H1311 PolarHBondContact O-N 2.83Å; H1311-F1313 PolarHBondContact O-N 3.17Å
1312Q27.8Very low34.5Very low157 Ų157135.7 Ų135.773%0.73471%0.706SS**  trans-103.862.6178.8-151.3142.347.600111.5L1309 A1310 P1314L1309-Q1312 PolarHBondContact O-N 3.42Å; A1310-Q1312 VanDerWaalsContact C-N 3.33Å; Q1312-P1314 WeakPolarHBondContact O-CD 3.48Å
1313F30.2Very low34.6Very low181 Ų181134.8 Ų134.879%0.79472%0.719SS**  trans-64124.2166.9-77.9-77.8000109.4H1311 I1315H1311-F1313 PolarHBondContact O-N 3.17Å; F1313-I1315 PolarHBondContact O-N 3.08Å
1314P34.7Very low34.6Very low119 Ų119137.5 Ų137.577%0.77371%0.71SS**  trans-62.8123.5-176.98.6-11.2000110.9Q1312 N1316Q1312-P1314 WeakPolarHBondContact O-CD 3.48Å; P1314-N1316 PolarHBondContact O-N 3.16Å
1315I32.6Very low34.9Very low154 Ų154145 Ų14579%0.7973%0.728SS**  trans-62.1101.2174.7-78.4155.7000108.8F1313 V1317F1313-I1315 PolarHBondContact O-N 3.08Å; I1315-V1317 HydrophobicContact CG2-CG1 3.7Å; I1315-V1317 PolarHBondContact O-N 3.26Å
1316N31.8Very low34.9Very low134 Ų134146.3 Ų146.372%0.71773%0.729SS**  trans-83.9102.4166.2-174.3-11.7000108.5P1314 N1318P1314-N1316 PolarHBondContact O-N 3.16Å; N1316-N1318 PolarHBondContact O-N 3.38Å; N1316-N1318 PolarHBondContact OD1-N 3.42Å
1317V35.1Very low34.9Very low113 Ų113147.3 Ų147.369%0.68573%0.729SS**THydrogen-bonded Turntrans-67.112.5-174.1-67.40000115.8I1315I1315-V1317 HydrophobicContact CG2-CG1 3.7Å; I1315-V1317 PolarHBondContact O-N 3.26Å
1318N34.5Very low35.2Very low150 Ų150150.1 Ų150.180%0.80274%0.743SS**THydrogen-bonded Turntrans-11115.8-173.5-107.7-0.3000115.9N1316N1316-N1318 PolarHBondContact O-N 3.38Å; N1316-N1318 PolarHBondContact OD1-N 3.42Å
1319R33.6Very low35.7Very low187 Ų187154.7 Ų154.771%0.70675%0.754SS**  trans-100.611.7-179.6-112.9179.697.6163.2-2.4116.9R1321R1319-R1321 VanDerWaalsContact C-N 3.27Å; R1319-R1321 PolarHBondContact O-N 3.31Å; R1319-R1321 VanDerWaalsContact O-N 3.1Å
1320D36Very low36.8Very low156 Ų156150.8 Ų150.883%0.83474%0.742SS**THydrogen-bonded Turntrans-81.225.4-175.9-71.4-18.7000116.1
1321R34.9Very low38.1Very low232 Ų232148.9 Ų148.988%0.87573%0.725SS**THydrogen-bonded Turntrans-122.21.6180-75.3-166.8-172.5-169.93.9117.6R1319R1319-R1321 VanDerWaalsContact C-N 3.27Å; R1319-R1321 PolarHBondContact O-N 3.31Å; R1319-R1321 VanDerWaalsContact O-N 3.1Å
1322W33.3Very low39.5Very low214 Ų214143.6 Ų143.681%0.81171%0.707SS**  trans-117.5114.8176.4-78.234.6000110.1K1324W1322-K1324 PolarHBondContact O-N 3.16Å
1323V37.8Very low41Very low159 Ų159140.2 Ų140.296%0.96469%0.694SS**  trans-59.588168.3-179.70000107.5
1324K35.9Very low42.4Very low128 Ų128132.8 Ų132.856%0.55767%0.666SS**  trans-96.4119.9175-92-174.5174.9-176.20108.7W1322 N1326W1322-K1324 PolarHBondContact O-N 3.16Å; K1324-N1326 PolarHBondContact O-N 2.89Å; K1324-N1326 VanDerWaalsContact O-N 3.14Å
1325Y41Very low43.6Very low195 Ų195133.3 Ų133.377%0.76566%0.662SS**  trans-48.3113.2162.3-170.3-99.5000108.9H1327Y1325-H1327 PolarHBondContact O-N 3.5Å
1326N37.8Very low45Very low147 Ų147131.5 Ų131.579%0.78666%0.658SS**  trans-75.8110.5177.4-95.9-9.9000108.2K1324K1324-N1326 PolarHBondContact O-N 2.89Å; K1324-N1326 VanDerWaalsContact O-N 3.14Å
1327H35Very low46.4Very low149 Ų149128.3 Ų128.369%0.6964%0.643SS**  trans-63.1129.4157.7-71.8-80.1000107.6Y1325 K1329Y1325-H1327 PolarHBondContact O-N 3.5Å; H1327-K1329 PolarHBondContact O-N 2.87Å
1328P44.9Very low47.8Very low109 Ų109124.3 Ų124.371%0.70862%0.617SS**  trans-57.2123.9171.322.2-29.6000108.2G1330P1328-G1330 PolarHBondContact O-N 3.41Å
1329K49.3Very low48.6Very low216 Ų216118.5 Ų118.594%0.93959%0.592SS**SBendtrans-79114.6172.3-70-179.1176.3-176.90106.8H1327H1327-K1329 PolarHBondContact O-N 2.87Å
1330G57.1Low49.3Very low35 Ų35116 Ų11636%0.36160%0.597SS.*SBendtrans119.2161178.700000113.1P1328 P1332P1328-G1330 PolarHBondContact O-N 3.41Å; G1330-P1332 WeakPolarHBondContact O-CD 3.45Å
1331A61.3Low49.4Very low17 Ų17116 Ų11614%0.1459%0.592CS.*PPolyproline II helixtrans-54.2127.4174.400000110.8M1288 D1333M1288-A1331 HydrophobicContact CB-CB 4.47Å; M1288-A1331 HydrophobicContact CE-CB 3.6Å; M1288-A1331 HydrophobicContact CG-CB 3.9Å; M1288-A1331 HydrophobicContact SD-CB 3.95Å; A1331-D1333 PolarHBondContact O-N 2.9Å
1332P64.4Low49.6Very low63 Ų63109.5 Ų109.541%0.40958%0.582SS.*PPolyproline II helixtrans-55.9132.2166.818-32.7000111.2V1285 M1288 G1330 A1334 V1337V1285-P1332 WeakPolarHBondContact CG1-O 3.13Å; M1288-P1332 HydrophobicContact CE-CG 4.09Å; G1330-P1332 WeakPolarHBondContact O-CD 3.45Å; P1332-A1334 PolarHBondContact O-N 3.12Å; P1332-V1337 HydrophobicContact CB-CG2 3.95Å
1333D60.5Low49.7Very low87 Ų87108.2 Ų108.247%0.46559%0.585SS.*PPolyproline II helixtrans-55.7118.3179.8-176.9-9.9000111.1A1331 D1335 V1336 V1337A1331-D1333 PolarHBondContact O-N 2.9Å; D1333-D1335 PolarHBondContact O-N 3.27Å; D1333-D1335 PolarHBondContact OD1-N 2.95Å; D1333-V1336 HydrophobicContact CB-CB 4.1Å; D1333-V1336 HydrophobicContact CB-CG2 3.88Å; D1333-V1336 PolarHBondContact O-N 3.42Å; D1333-V1336 VanDerWaalsContact O-N 3.1Å; D1333-V1337 WeakPolarHBondContact O-CG2 3.42Å; D1333-V1337 PolarHBondContact O-N 2.97Å
1334A59.4Low49.5Very low25 Ų25108.8 Ų108.821%0.20758%0.575CS.*Hα-helixtrans-56.9-33-179.100000112V1285 P1332 V1337 F1338V1285-A1334 HydrophobicContact CG1-CB 3.83Å; P1332-A1334 PolarHBondContact O-N 3.12Å; A1334-V1337 PolarHBondContact O-N 3.46Å; A1334-F1338 HydrophobicContact CB-CD2 4.11Å; A1334-F1338 HydrophobicContact CB-CE2 4.41Å; A1334-F1338 WeakPolarHBondContact O-CA 3.4Å; A1334-F1338 VanDerWaalsContact O-CB 3.29Å; A1334-F1338 WeakPolarHBondContact O-CB 3.28Å; A1334-F1338 WeakPolarHBondContact O-CD2 3.3Å; A1334-F1338 PolarHBondContact O-N 2.9Å
1335D59.7Low49.3Very low129 Ų129114 Ų11469%0.6959%0.591SS**Hα-helixtrans-77.5-30.2-179.5-73.5-20.9000111.9D1333 G1339D1333-D1335 PolarHBondContact O-N 3.27Å; D1333-D1335 PolarHBondContact OD1-N 2.95Å; D1335-G1339 WeakPolarHBondContact O-CA 3.14Å; D1335-G1339 PolarHBondContact O-N 2.83Å
1336V61.2Low48.9Very low117 Ų117111 Ų11171%0.70960%0.597SS**Hα-helixtrans-71.6-38.5171.7176.80000110.9D1333D1333-V1336 HydrophobicContact CB-CB 4.1Å; D1333-V1336 HydrophobicContact CB-CG2 3.88Å; D1333-V1336 PolarHBondContact O-N 3.42Å; D1333-V1336 VanDerWaalsContact O-N 3.1Å
1337V62Low48.5Very low66 Ų66108 Ų10840%0.459%0.592SS.*Hα-helixtrans-76.3-43.1-179.1179.80000111.8P1332 D1333 A1334P1332-V1337 HydrophobicContact CB-CG2 3.95Å; D1333-V1337 WeakPolarHBondContact O-CG2 3.42Å; D1333-V1337 PolarHBondContact O-N 2.97Å; A1334-V1337 PolarHBondContact O-N 3.46Å
1338F63.8Low48.3Very low30 Ų30112.1 Ų112.113%0.13262%0.619CS.*Hα-helixtrans-106.4-12.7-172.9-55.9-61.5000114.8R1278 M1281 K1282 V1285 A1334R1278-F1338 HydrophobicContact CG-CD1 3.57Å; R1278-F1338 HydrophobicContact CG-CE1 4.02Å; R1278-F1338 PolarHBondContact NH2-O 3.49Å; R1278-F1338 WeakPolarHBondContact O-CE1 3.36Å; M1281-F1338 HydrophobicContact CB-CE1 3.68Å; M1281-F1338 HydrophobicContact CB-CZ 3.6Å; M1281-F1338 HydrophobicContact CG-CE1 3.85Å; M1281-F1338 HydrophobicContact CG-CZ 3.5Å; M1281-F1338 VanDerWaalsContact CG-CZ 3.5Å; K1282-F1338 VanDerWaalsContact CA-CZ 3.41Å; K1282-F1338 HydrophobicContact CB-CD1 4.47Å; K1282-F1338 HydrophobicContact CB-CD2 3.93Å; K1282-F1338 HydrophobicContact CB-CE1 4.27Å; K1282-F1338 HydrophobicContact CB-CE2 3.75Å; K1282-F1338 HydrophobicContact CB-CG 4.33Å; K1282-F1338 HydrophobicContact CB-CZ 3.92Å; K1282-F1338 HydrophobicContact CD-CD2 4.48Å; K1282-F1338 HydrophobicContact CG-CD2 3.93Å; K1282-F1338 HydrophobicContact CG-CE2 4.07Å; V1285-F1338 HydrophobicContact CB-CE2 4.28Å; V1285-F1338 HydrophobicContact CG2-CE2 4.03Å; V1285-F1338 HydrophobicContact CG2-CZ 4.29Å; A1334-F1338 HydrophobicContact CB-CD2 4.11Å; A1334-F1338 HydrophobicContact CB-CE2 4.41Å; A1334-F1338 WeakPolarHBondContact O-CA 3.4Å; A1334-F1338 VanDerWaalsContact O-CB 3.29Å; A1334-F1338 WeakPolarHBondContact O-CB 3.28Å; A1334-F1338 WeakPolarHBondContact O-CD2 3.3Å; A1334-F1338 PolarHBondContact O-N 2.9Å
1339G52Low48.5Very low27 Ų27112.3 Ų112.328%0.27862%0.615SS.*SBendtrans-51.3154.9178.800000113.1R1278 D1335 H1341R1278-G1339 PolarHBondContact NH2-O 3.22Å; D1335-G1339 WeakPolarHBondContact O-CA 3.14Å; D1335-G1339 PolarHBondContact O-N 2.83Å; G1339-H1341 PolarHBondContact O-N 2.92Å
1340T47.4Very low48.5Very low135 Ų135106.8 Ų106.883%0.82860%0.598SS**SBendtrans-72.445.2-165.850.40000114.2S1342T1340-S1342 PolarHBondContact O-N 2.8Å
1341H39.7Very low48Very low156 Ų156110.8 Ų110.872%0.72261%0.611SS**G310 helixtrans-71.414.4178.5-121.7-69.8000114.4G1339 Q1343G1339-H1341 PolarHBondContact O-N 2.92Å; H1341-Q1343 VanDerWaalsContact C-N 3.31Å; H1341-Q1343 PolarHBondContact O-N 3.05Å
1342S37.3Very low47.2Very low95 Ų95116.3 Ų116.366%0.66464%0.639SS**G310 helixtrans-74.6-13.1-179.2-1630000114T1340 K1344T1340-S1342 PolarHBondContact O-N 2.8Å; S1342-K1344 PolarHBondContact O-N 3.35Å
1343Q35.8Very low46.1Very low188 Ų188119.6 Ų119.688%0.87965%0.653SS**G310 helixtrans-80.2-6.5-178.1-83174.9-15.500115.7H1341H1341-Q1343 VanDerWaalsContact C-N 3.31Å; H1341-Q1343 PolarHBondContact O-N 3.05Å
1344K34.5Very low45.2Very low171 Ų171121.8 Ų121.874%0.74367%0.666SS**G310 helixtrans-103.9-4-178-92.3-177.5177.6175.10116.7S1342S1342-K1344 PolarHBondContact O-N 3.35Å
1345R32.1Very low44.2Very low238 Ų238128.7 Ų128.790%0.89870%0.698SS**SBendtrans-95.3-3.5179.4-89.8-170.9180178.62.1116.2A1347R1345-A1347 VanDerWaalsContact C-N 3.35Å; R1345-A1347 PolarHBondContact O-N 3.16Å
1346C31.1Very low43Very low130 Ų130128.7 Ų128.788%0.87870%0.699SS**THydrogen-bonded Turntrans-9116.2174.9-67.90000114.7
1347A29.5Very low41.4Very low84 Ų84129.7 Ų129.769%0.69470%0.698SS**THydrogen-bonded Turntrans-114.510.5-174.400000116R1345R1345-A1347 VanDerWaalsContact C-N 3.35Å; R1345-A1347 PolarHBondContact O-N 3.16Å
1348N32.3Very low39.6Very low236 Ų236135.5 Ų135.5100%1.26273%0.725SS**  trans-116.80170.7-85.6-3.7000112.5

Retrieved 1,348 of 1,348 residues in 1604.8 ms (Link to these results)

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