A0A5K4FD88_SCHMA Loading...

Importin N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FD88, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,346 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
1M46.4Very low76.9Confident172 Ų17276.5 Ų76.585%0.84737%0.365SS*.  0132.40-74.9-169.6-15700106.6E5 Q6M1-E5 WeakPolarHBondContact CA-OE2 3.18Å; M1-E5 HydrophobicContact CB-CB 4.2Å; M1-Q6 HydrophobicContact CB-CB 4.49Å
2N69.3Low77.4Confident119 Ų11980.2 Ų80.264%0.63637%0.373SS*.  trans-57.6145.5166.8-84.6-29.9000108.3L4 E5 Q6N2-L4 PolarHBondContact O-N 3.33Å; N2-E5 HydrophobicContact CB-CG 4.19Å; N2-E5 PolarHBondContact N-OE2 3.36Å; N2-E5 WeakPolarHBondContact O-CB 3.11Å; N2-E5 PolarHBondContact O-N 3.28Å; N2-Q6 PolarHBondContact O-N 3.15Å; N2-Q6 VanDerWaalsContact O-N 3.16Å
3E75.4Confident78Confident119 Ų11975.8 Ų75.856%0.55635%0.353SS*.Hα-helixtrans-51.6-34.7-178.6-167.8179.5170.500112.1Q6 L7 R36E3-Q6 PolarHBondContact O-N 3.32Å; E3-L7 WeakPolarHBondContact O-CB 3.43Å; E3-L7 PolarHBondContact O-N 2.88Å; E3-R36 IonicContact OE1-CZ 3.3Å; E3-R36 VanDerWaalsContact OE1-CZ 3.24Å; E3-R36 IonicContact OE1-NH1 3.42Å; E3-R36 PolarHBondContact OE1-NH1 2.95Å; E3-R36 IonicContact OE1-NH2 2.76Å; E3-R36 PolarHBondContact OE1-NH2 3.32Å
4L77.6Confident78.5Confident48 Ų4872.9 Ų72.925%0.25134%0.34SS..Hα-helixtrans-63-43.6173.7-160.376.4000113.2N2 Q6 L7 E8 I42 L45 L46 H49N2-L4 PolarHBondContact O-N 3.33Å; L4-Q6 VanDerWaalsContact C-N 3.31Å; L4-Q6 PolarHBondContact O-N 3.13Å; L4-L7 PolarHBondContact O-N 3.38Å; L4-E8 WeakPolarHBondContact O-CG 3.3Å; L4-E8 PolarHBondContact O-N 3.13Å; L4-I42 HydrophobicContact CD1-CG2 4.48Å; L4-L45 HydrophobicContact CD1-CB 4.32Å; L4-L46 HydrophobicContact CD1-CD2 3.58Å; L4-L46 HydrophobicContact CD1-CG 3.79Å; L4-L46 HydrophobicContact CG-CD2 4.03Å; L4-H49 HydrophobicContact CD2-CB 4.45Å
5E79.7Confident78.8Confident99 Ų9976.1 Ų76.146%0.46335%0.349SS..Hα-helixtrans-65.6-36.9178.2-66.2171.7165.400111.3M1 N2 Y9M1-E5 WeakPolarHBondContact CA-OE2 3.18Å; M1-E5 HydrophobicContact CB-CB 4.2Å; N2-E5 HydrophobicContact CB-CG 4.19Å; N2-E5 PolarHBondContact N-OE2 3.36Å; N2-E5 WeakPolarHBondContact O-CB 3.11Å; N2-E5 PolarHBondContact O-N 3.28Å; E5-Y9 WeakPolarHBondContact O-CB 3.4Å; E5-Y9 PolarHBondContact O-N 3.23Å
6Q82Confident79.2Confident94 Ų9476 Ų7644%0.43936%0.356SS..Hα-helixtrans-68.8-39.9176.9-173176.95.500111.2M1 N2 E3 L4 Y9 F10M1-Q6 HydrophobicContact CB-CB 4.49Å; N2-Q6 PolarHBondContact O-N 3.15Å; N2-Q6 VanDerWaalsContact O-N 3.16Å; E3-Q6 PolarHBondContact O-N 3.32Å; L4-Q6 VanDerWaalsContact C-N 3.31Å; L4-Q6 PolarHBondContact O-N 3.13Å; Q6-Y9 WeakPolarHBondContact O-CB 3.5Å; Q6-Y9 PolarHBondContact O-N 3.03Å; Q6-F10 HydrophobicContact CG-CD2 4.03Å; Q6-F10 HydrophobicContact CG-CE2 3.61Å; Q6-F10 HydrophobicContact CG-CZ 4.46Å; Q6-F10 WeakPolarHBondContact O-CD2 3.48Å; Q6-F10 PolarHBondContact O-N 3.37Å
7L81.8Confident79.5Confident21 Ų2172.7 Ų72.711%0.1134%0.342CS..Hα-helixtrans-65.7-43.8174.8-170.263.4000111.2E3 L4 Y9 F10 C11 L33 I42 L46E3-L7 WeakPolarHBondContact O-CB 3.43Å; E3-L7 PolarHBondContact O-N 2.88Å; L4-L7 PolarHBondContact O-N 3.38Å; L7-Y9 VanDerWaalsContact C-N 3.3Å; L7-Y9 PolarHBondContact O-N 3.01Å; L7-F10 PolarHBondContact O-N 3.17Å; L7-C11 WeakPolarHBondContact O-CB 3.47Å; L7-C11 PolarHBondContact O-N 3.44Å; L7-C11 PolarHBondContact O-SG 2.96Å; L7-L33 HydrophobicContact CD2-CD1 4.03Å; L7-L33 HydrophobicContact CD2-CD2 4.24Å; L7-I42 HydrophobicContact CD2-CG2 3.76Å; L7-L46 HydrophobicContact CD2-CD1 3.72Å; L7-L46 HydrophobicContact CD2-CD2 4.49Å; L7-L46 HydrophobicContact CD2-CG 4.45Å; L7-L46 HydrophobicContact CG-CD1 4.42Å
8E82.2Confident79.7Confident49 Ų4975 Ų7523%0.22937%0.368CS..Hα-helixtrans-58.9-40.3173.3-76.1-174.1173.600112.5L4 C11 R12 L46 S50L4-E8 WeakPolarHBondContact O-CG 3.3Å; L4-E8 PolarHBondContact O-N 3.13Å; E8-C11 PolarHBondContact O-N 2.88Å; E8-R12 PolarHBondContact O-N 3.05Å; E8-R12 VanDerWaalsContact O-N 3.09Å; E8-L46 HydrophobicContact CG-CD2 3.75Å; E8-S50 VanDerWaalsContact OE1-CA 3.22Å; E8-S50 WeakPolarHBondContact OE1-CA 3.38Å; E8-S50 WeakPolarHBondContact OE1-CB 3.45Å
9Y83.8Confident80Confident89 Ų8974.5 Ų74.535%0.34937%0.367SS..Hα-helixtrans-58.8-51.5173.5172-101.7000111.2E5 Q6 L7 C11 R12 E13E5-Y9 WeakPolarHBondContact O-CB 3.4Å; E5-Y9 PolarHBondContact O-N 3.23Å; Q6-Y9 WeakPolarHBondContact O-CB 3.5Å; Q6-Y9 PolarHBondContact O-N 3.03Å; L7-Y9 VanDerWaalsContact C-N 3.3Å; L7-Y9 PolarHBondContact O-N 3.01Å; Y9-C11 PolarHBondContact O-N 2.79Å; Y9-R12 PolarHBondContact O-N 2.75Å; Y9-E13 HydrophobicContact CD1-CG 4.32Å; Y9-E13 HydrophobicContact CD2-CG 4.05Å; Y9-E13 HydrophobicContact CE1-CG 3.91Å; Y9-E13 HydrophobicContact CE2-CG 3.59Å; Y9-E13 HydrophobicContact CG-CG 4.39Å; Y9-E13 WeakPolarHBondContact O-CG 3.4Å; Y9-E13 PolarHBondContact O-N 3.4Å
10F84.6Confident80.2Confident31 Ų3175.2 Ų75.214%0.13638%0.377CS..Hα-helixtrans-63.9-39.1178.5-72.4-52.8000113Q6 L7 R12 E13 L14 A26 A29Q6-F10 HydrophobicContact CG-CD2 4.03Å; Q6-F10 HydrophobicContact CG-CE2 3.61Å; Q6-F10 HydrophobicContact CG-CZ 4.46Å; Q6-F10 WeakPolarHBondContact O-CD2 3.48Å; Q6-F10 PolarHBondContact O-N 3.37Å; L7-F10 PolarHBondContact O-N 3.17Å; F10-R12 PolarHBondContact O-N 2.98Å; F10-E13 PolarHBondContact O-N 3Å; F10-L14 WeakPolarHBondContact O-CB 3.28Å; F10-L14 PolarHBondContact O-N 2.69Å; F10-A26 HydrophobicContact CB-CB 4.18Å; F10-A26 HydrophobicContact CD1-CB 4.09Å; F10-A26 WeakPolarHBondContact O-CB 3.5Å; F10-A29 HydrophobicContact CB-CB 4.3Å; F10-A29 HydrophobicContact CD2-CB 3.85Å; F10-A29 HydrophobicContact CE2-CB 4.35Å; F10-A29 HydrophobicContact CG-CB 4.11Å
11C83.2Confident80.4Confident0 Ų078.4 Ų78.40%039%0.391CS..Hα-helixtrans-56.1-41.4174.9-74.40000111.9L7 E8 Y9 I58L7-C11 WeakPolarHBondContact O-CB 3.47Å; L7-C11 PolarHBondContact O-N 3.44Å; L7-C11 PolarHBondContact O-SG 2.96Å; E8-C11 PolarHBondContact O-N 2.88Å; Y9-C11 PolarHBondContact O-N 2.79Å; C11-I58 VanDerWaalsContact CA-CD1 3.45Å; C11-I58 HydrophobicContact CB-CD1 3.54Å; C11-I58 VanDerWaalsContact SG-CD1 3.52Å
12R83.1Confident82.2Confident121 Ų12172.4 Ų72.446%0.45736%0.362SS..Hα-helixtrans-71.7-50.4177.1-169.1-176.570.3172.83.3111.7E8 Y9 F10 L14 Y15 T16 Y54E8-R12 PolarHBondContact O-N 3.05Å; E8-R12 VanDerWaalsContact O-N 3.09Å; Y9-R12 PolarHBondContact O-N 2.75Å; F10-R12 PolarHBondContact O-N 2.98Å; R12-L14 PolarHBondContact O-N 3.07Å; R12-Y15 PolarHBondContact O-N 3.45Å; R12-Y15 VanDerWaalsContact O-N 3.14Å; R12-T16 HydrophobicContact CG-CG2 4.24Å; R12-T16 PolarHBondContact O-N 3.17Å; R12-T16 VanDerWaalsContact O-N 3.13Å; R12-T16 PolarHBondContact O-OG1 3.27Å; R12-Y54 HydrophobicContact CG-CD2 4.26Å
13E84.9Confident83.1Confident24 Ų2472 Ų7211%0.11235%0.351CS..Hα-helixtrans-62.1-27.5-177-66.3-52132.300112.7Y9 F10 Y15 T16 T17 I22Y9-E13 HydrophobicContact CD1-CG 4.32Å; Y9-E13 HydrophobicContact CD2-CG 4.05Å; Y9-E13 HydrophobicContact CE1-CG 3.91Å; Y9-E13 HydrophobicContact CE2-CG 3.59Å; Y9-E13 HydrophobicContact CG-CG 4.39Å; Y9-E13 WeakPolarHBondContact O-CG 3.4Å; Y9-E13 PolarHBondContact O-N 3.4Å; F10-E13 PolarHBondContact O-N 3Å; E13-Y15 PolarHBondContact O-N 3.28Å; E13-Y15 VanDerWaalsContact O-N 3.16Å; E13-T16 PolarHBondContact O-N 3.22Å; E13-T17 WeakPolarHBondContact O-CB 3.49Å; E13-T17 WeakPolarHBondContact O-CG2 3.41Å; E13-T17 PolarHBondContact O-N 3.28Å; E13-T17 WeakPolarHBondContact OE2-CB 3.39Å; E13-T17 PolarHBondContact OE2-OG1 3.48Å; E13-I22 HydrophobicContact CB-CG2 4.06Å; E13-I22 HydrophobicContact CG-CG2 4.38Å
14L85.7Confident83.5Confident34 Ų3468.7 Ų68.718%0.17834%0.342CS..Hα-helixtrans-53-36.5175.1-172.765.4000112.9F10 R12 R23 A26 E27 I58F10-L14 WeakPolarHBondContact O-CB 3.28Å; F10-L14 PolarHBondContact O-N 2.69Å; R12-L14 PolarHBondContact O-N 3.07Å; L14-R23 HydrophobicContact CD1-CG 4.38Å; L14-A26 HydrophobicContact CB-CB 4.1Å; L14-A26 HydrophobicContact CD1-CB 4.14Å; L14-E27 HydrophobicContact CD1-CB 3.9Å; L14-I58 HydrophobicContact CD2-CD1 3.96Å
15Y82.5Confident83.8Confident121 Ų12171.6 Ų71.648%0.47535%0.354SS..Hα-helixtrans-105.7-22.7-177.4-64.3-77.9000113.9R12 E13 Y54 L57 I58R12-Y15 PolarHBondContact O-N 3.45Å; R12-Y15 VanDerWaalsContact O-N 3.14Å; E13-Y15 PolarHBondContact O-N 3.28Å; E13-Y15 VanDerWaalsContact O-N 3.16Å; Y15-Y54 AromaticContact CD2-CD1 3.38Å; Y15-Y54 HydrophobicContact CD2-CD1 3.38Å; Y15-Y54 HydrophobicContact CD2-CE1 4Å; Y15-Y54 AromaticContact CD2-CG 3.9Å; Y15-Y54 HydrophobicContact CD2-CG 3.9Å; Y15-Y54 HydrophobicContact CE2-CD1 4.03Å; Y15-Y54 AromaticContact CG-CD1 3.75Å; Y15-Y54 HydrophobicContact CG-CD1 3.75Å; Y15-Y54 AromaticContact CG-CE1 3.87Å; Y15-Y54 HydrophobicContact CG-CE1 3.87Å; Y15-L57 HydrophobicContact CE2-CD2 4.38Å; Y15-I58 HydrophobicContact CE2-CD1 4.08Å; Y15-I58 HydrophobicContact CE2-CG1 4.41Å
16T85Confident84.1Confident75 Ų7566.9 Ų66.946%0.4633%0.332SS..Hα-helixtrans-103-16.6-173.561.40000114.7R12 E13 Y54R12-T16 HydrophobicContact CG-CG2 4.24Å; R12-T16 PolarHBondContact O-N 3.17Å; R12-T16 VanDerWaalsContact O-N 3.13Å; R12-T16 PolarHBondContact O-OG1 3.27Å; E13-T16 PolarHBondContact O-N 3.22Å; T16-Y54 HydrophobicContact CG2-CE2 3.97Å
17T85.2Confident84.2Confident20 Ų2067.8 Ų67.812%0.12334%0.336CS..  trans-82.2135.6-171.7-154.10000112.9E13 D19 I22 R23E13-T17 WeakPolarHBondContact O-CB 3.49Å; E13-T17 WeakPolarHBondContact O-CG2 3.41Å; E13-T17 PolarHBondContact O-N 3.28Å; E13-T17 WeakPolarHBondContact OE2-CB 3.39Å; E13-T17 PolarHBondContact OE2-OG1 3.48Å; T17-D19 WeakPolarHBondContact CG2-O 3.37Å; T17-I22 HydrophobicContact CG2-CB 4.23Å; T17-I22 HydrophobicContact CG2-CG2 4.22Å; T17-R23 HydrophobicContact CG2-CB 3.73Å; T17-R23 HydrophobicContact CG2-CG 4.2Å
18S81.5Confident84.3Confident114 Ų11473.9 Ų73.980%0.79736%0.362SS*.  trans-82.9-17.5171.750.50000112.7
19D85.5Confident84.4Confident65 Ų6572.6 Ų72.635%0.34836%0.359SS..  trans-82.4117.2-178-170.8-22.2000111.6T17 E21 I22 R23T17-D19 WeakPolarHBondContact CG2-O 3.37Å; D19-E21 VanDerWaalsContact C-N 3.29Å; D19-E21 PolarHBondContact O-N 2.75Å; D19-E21 PolarHBondContact OD1-N 3.04Å; D19-I22 HydrophobicContact CB-CB 4.25Å; D19-I22 HydrophobicContact CB-CD1 3.99Å; D19-I22 HydrophobicContact CB-CG1 4.08Å; D19-I22 PolarHBondContact O-N 3.18Å; D19-R23 PolarHBondContact O-N 2.72Å; D19-R23 VanDerWaalsContact O-N 3.13Å
20P85.4Confident84.3Confident89 Ų8969 Ų6958%0.57835%0.347SS*.Hα-helixtrans-64-28.4179.927-34.5000113.8S24P20-S24 PolarHBondContact O-N 2.73Å
21E84.6Confident84.1Confident142 Ų14270.5 Ų70.566%0.66436%0.362SS*.Hα-helixtrans-70.9-45.5179.6-70.3-165.9173.200111.3D19 R23 S24 Q25D19-E21 VanDerWaalsContact C-N 3.29Å; D19-E21 PolarHBondContact O-N 2.75Å; D19-E21 PolarHBondContact OD1-N 3.04Å; E21-R23 VanDerWaalsContact C-N 3.3Å; E21-R23 PolarHBondContact O-N 3.44Å; E21-S24 PolarHBondContact O-N 3.26Å; E21-Q25 WeakPolarHBondContact O-CG 3.46Å; E21-Q25 PolarHBondContact O-N 3.03Å
22I83.9Confident84.1Confident46 Ų4673.1 Ų73.124%0.23638%0.38CS..Hα-helixtrans-62.2-41.3175.9-61178000110.1E13 T17 D19 S24 Q25 A26E13-I22 HydrophobicContact CB-CG2 4.06Å; E13-I22 HydrophobicContact CG-CG2 4.38Å; T17-I22 HydrophobicContact CG2-CB 4.23Å; T17-I22 HydrophobicContact CG2-CG2 4.22Å; D19-I22 HydrophobicContact CB-CB 4.25Å; D19-I22 HydrophobicContact CB-CD1 3.99Å; D19-I22 HydrophobicContact CB-CG1 4.08Å; D19-I22 PolarHBondContact O-N 3.18Å; I22-S24 VanDerWaalsContact C-N 3.34Å; I22-S24 PolarHBondContact O-N 3.32Å; I22-Q25 PolarHBondContact O-N 3.1Å; I22-A26 WeakPolarHBondContact O-CB 3.48Å; I22-A26 PolarHBondContact O-N 3.15Å
23R87.1Confident84Confident110 Ų11067.5 Ų67.542%0.41536%0.359SS..Hα-helixtrans-61.4-41.9177.1-155.7-175.8-42150.513.1112.1L14 T17 D19 E21 A26 E27L14-R23 HydrophobicContact CD1-CG 4.38Å; T17-R23 HydrophobicContact CG2-CB 3.73Å; T17-R23 HydrophobicContact CG2-CG 4.2Å; D19-R23 PolarHBondContact O-N 2.72Å; D19-R23 VanDerWaalsContact O-N 3.13Å; E21-R23 VanDerWaalsContact C-N 3.3Å; E21-R23 PolarHBondContact O-N 3.44Å; R23-A26 PolarHBondContact O-N 3.21Å; R23-E27 WeakPolarHBondContact O-CB 3.1Å; R23-E27 PolarHBondContact O-N 2.67Å
24S83.4Confident83.5Confident51 Ų5167.4 Ų67.436%0.35736%0.361SS..Hα-helixtrans-65.4-38.3175.9-173.70000112.3P20 E21 I22 K28P20-S24 PolarHBondContact O-N 2.73Å; E21-S24 PolarHBondContact O-N 3.26Å; I22-S24 VanDerWaalsContact C-N 3.34Å; I22-S24 PolarHBondContact O-N 3.32Å; S24-K28 WeakPolarHBondContact O-CG 3.37Å; S24-K28 PolarHBondContact O-N 3.33Å
25Q85.4Confident83Confident109 Ų10973.8 Ų73.851%0.50939%0.389SS..Hα-helixtrans-65.5-44.3174.1-70178.11400111.7E21 I22 E27 K28 A29E21-Q25 WeakPolarHBondContact O-CG 3.46Å; E21-Q25 PolarHBondContact O-N 3.03Å; I22-Q25 PolarHBondContact O-N 3.1Å; Q25-E27 PolarHBondContact O-N 2.91Å; Q25-K28 PolarHBondContact O-N 3.4Å; Q25-A29 WeakPolarHBondContact O-CB 3.41Å; Q25-A29 PolarHBondContact O-N 3.26Å
26A84.3Confident82.7Confident0 Ų071.5 Ų71.50%038%0.38CS..Hα-helixtrans-61.4-42.5175.900000111.9F10 L14 I22 R23 A29 C30F10-A26 HydrophobicContact CB-CB 4.18Å; F10-A26 HydrophobicContact CD1-CB 4.09Å; F10-A26 WeakPolarHBondContact O-CB 3.5Å; L14-A26 HydrophobicContact CB-CB 4.1Å; L14-A26 HydrophobicContact CD1-CB 4.14Å; I22-A26 WeakPolarHBondContact O-CB 3.48Å; I22-A26 PolarHBondContact O-N 3.15Å; R23-A26 PolarHBondContact O-N 3.21Å; A26-A29 PolarHBondContact O-N 3.38Å; A26-C30 WeakPolarHBondContact O-CB 3.05Å; A26-C30 PolarHBondContact O-N 3.29Å; A26-C30 PolarHBondContact O-SG 2.88Å
27E85.6Confident82.2Confident112 Ų11272.3 Ų72.352%0.52339%0.394SS..Hα-helixtrans-62.6-43.7177.5-174178.8-172.100111.8L14 R23 Q25 C30 S31L14-E27 HydrophobicContact CD1-CB 3.9Å; R23-E27 WeakPolarHBondContact O-CB 3.1Å; R23-E27 PolarHBondContact O-N 2.67Å; Q25-E27 PolarHBondContact O-N 2.91Å; E27-C30 PolarHBondContact O-N 3.06Å; E27-S31 VanDerWaalsContact O-CB 3.24Å; E27-S31 WeakPolarHBondContact O-CB 3.46Å; E27-S31 PolarHBondContact O-N 3.05Å; E27-S31 PolarHBondContact O-OG 3.5Å
28K83.9Confident82Confident149 Ų14974.4 Ų74.465%0.64841%0.405SS*.Hα-helixtrans-62-46.1174.4-75.7178.4-178.1177.80111.9S24 Q25 S31 S32S24-K28 WeakPolarHBondContact O-CG 3.37Å; S24-K28 PolarHBondContact O-N 3.33Å; Q25-K28 PolarHBondContact O-N 3.4Å; K28-S31 PolarHBondContact O-N 3.47Å; K28-S32 WeakPolarHBondContact O-CB 3.41Å; K28-S32 PolarHBondContact O-N 3.18Å; K28-S32 PolarHBondContact O-OG 3.34Å
29A82.8Confident82.1Confident22 Ų2269 Ų6918%0.18237%0.367CS..Hα-helixtrans-60.6-47.9178.100000111.4F10 Q25 A26 S31 S32 L33F10-A29 HydrophobicContact CB-CB 4.3Å; F10-A29 HydrophobicContact CD2-CB 3.85Å; F10-A29 HydrophobicContact CE2-CB 4.35Å; F10-A29 HydrophobicContact CG-CB 4.11Å; Q25-A29 WeakPolarHBondContact O-CB 3.41Å; Q25-A29 PolarHBondContact O-N 3.26Å; A26-A29 PolarHBondContact O-N 3.38Å; A29-S31 PolarHBondContact O-N 3.43Å; A29-S32 PolarHBondContact O-N 3.1Å; A29-S32 PolarHBondContact O-OG 3.01Å; A29-L33 PolarHBondContact O-N 2.88Å
30C82.5Confident81.9Confident13 Ų1367 Ų679%0.08836%0.358CS..Hα-helixtrans-67.5-36.1179.7-62.80000112.7A26 E27 L33 I58A26-C30 WeakPolarHBondContact O-CB 3.05Å; A26-C30 PolarHBondContact O-N 3.29Å; A26-C30 PolarHBondContact O-SG 2.88Å; E27-C30 PolarHBondContact O-N 3.06Å; C30-L33 VanDerWaalsContact O-CB 3.32Å; C30-L33 WeakPolarHBondContact O-CB 3.29Å; C30-L33 PolarHBondContact O-N 2.7Å; C30-I58 HydrophobicContact CB-CG2 4.26Å
31S80.8Confident81.9Confident64 Ų6465.7 Ų65.745%0.44835%0.35SS..Hα-helixtrans-69.6-41.4177.4-59.50000111.6E27 K28 A29 L33 C34E27-S31 VanDerWaalsContact O-CB 3.24Å; E27-S31 WeakPolarHBondContact O-CB 3.46Å; E27-S31 PolarHBondContact O-N 3.05Å; E27-S31 PolarHBondContact O-OG 3.5Å; K28-S31 PolarHBondContact O-N 3.47Å; A29-S31 PolarHBondContact O-N 3.43Å; S31-L33 PolarHBondContact O-N 3.34Å; S31-C34 PolarHBondContact O-N 3.1Å
32S82Confident81.9Confident55 Ų5559.9 Ų59.939%0.38532%0.324SS..Hα-helixtrans-62.7-22.6177.671.60000113.4K28 A29 C34 E35K28-S32 WeakPolarHBondContact O-CB 3.41Å; K28-S32 PolarHBondContact O-N 3.18Å; K28-S32 PolarHBondContact O-OG 3.34Å; A29-S32 PolarHBondContact O-N 3.1Å; A29-S32 PolarHBondContact O-OG 3.01Å; S32-C34 PolarHBondContact O-N 2.93Å; S32-E35 PolarHBondContact O-N 3.05Å; S32-E35 VanDerWaalsContact O-N 3.12Å
33L81Confident81.9Confident2 Ų257.7 Ų57.71%0.0131%0.313CS..G310 helixtrans-58.6-34.7176.3-174.563.6000112.2L7 A29 C30 S31 E35 R36 C39 I42 I58 A62L7-L33 HydrophobicContact CD2-CD1 4.03Å; L7-L33 HydrophobicContact CD2-CD2 4.24Å; A29-L33 PolarHBondContact O-N 2.88Å; C30-L33 VanDerWaalsContact O-CB 3.32Å; C30-L33 WeakPolarHBondContact O-CB 3.29Å; C30-L33 PolarHBondContact O-N 2.7Å; S31-L33 PolarHBondContact O-N 3.34Å; L33-E35 PolarHBondContact O-N 3.29Å; L33-R36 PolarHBondContact O-N 3.01Å; L33-C39 WeakPolarHBondContact O-CB 3.49Å; L33-C39 PolarHBondContact O-SG 3.31Å; L33-I42 HydrophobicContact CD1-CB 4.36Å; L33-I42 HydrophobicContact CD1-CD1 4.34Å; L33-I42 HydrophobicContact CD1-CG2 3.89Å; L33-I58 HydrophobicContact CD2-CG2 4.43Å; L33-A62 HydrophobicContact CD2-CB 3.9Å; L33-A62 HydrophobicContact CG-CB 4.36Å
34C75.3Confident81.8Confident22 Ų2255.2 Ų55.215%0.14931%0.306CS..G310 helixtrans-73.3-11.9-179.2-60.40000113.5S31 S32 Y66S31-C34 PolarHBondContact O-N 3.1Å; S32-C34 PolarHBondContact O-N 2.93Å; C34-Y66 WeakPolarHBondContact O-CD2 3.42Å
35E75.3Confident81.8Confident168 Ų16856.4 Ų56.479%0.78531%0.307SS*.G310 helixtrans-97.1-10.8-179.1-62.5178.4177.100112.1S32 L33S32-E35 PolarHBondContact O-N 3.05Å; S32-E35 VanDerWaalsContact O-N 3.12Å; L33-E35 PolarHBondContact O-N 3.29Å
36R76.9Confident81.8Confident74 Ų7451.2 Ų51.228%0.27928%0.283SS..  trans-84.1136.7-175.7-59.1170.459.5143.42.4111.9E3 L33 D38 C39 I42 Y66E3-R36 IonicContact OE1-CZ 3.3Å; E3-R36 VanDerWaalsContact OE1-CZ 3.24Å; E3-R36 IonicContact OE1-NH1 3.42Å; E3-R36 PolarHBondContact OE1-NH1 2.95Å; E3-R36 IonicContact OE1-NH2 2.76Å; E3-R36 PolarHBondContact OE1-NH2 3.32Å; L33-R36 PolarHBondContact O-N 3.01Å; R36-D38 WeakPolarHBondContact CB-OD1 3.4Å; R36-D38 IonicContact CZ-OD1 3.31Å; R36-D38 IonicContact CZ-OD2 2.67Å; R36-D38 IonicContact NE-OD1 2.61Å; R36-D38 PolarHBondContact NE-OD1 3.35Å; R36-D38 IonicContact NE-OD2 3.98Å; R36-D38 IonicContact NH2-OD1 2.7Å; R36-D38 IonicContact NH2-OD2 3.14Å; R36-D38 PolarHBondContact NH2-OD2 3.1Å; R36-D38 PolarHBondContact O-N 3.32Å; R36-C39 WeakPolarHBondContact O-CB 3.41Å; R36-C39 PolarHBondContact O-N 3.25Å; R36-C39 VanDerWaalsContact O-N 3.1Å; R36-I42 VanDerWaalsContact CZ-CD1 3.48Å; R36-I42 VanDerWaalsContact NH2-CD1 3.34Å; R36-Y66 WeakPolarHBondContact O-CE2 3.44Å
37A73.6Confident81.8Confident92 Ų9251.3 Ų51.376%0.7628%0.284SS*.THydrogen-bonded Turntrans-65.2-26.9176.900000113.5C39A37-C39 VanDerWaalsContact C-N 3.29Å
38D80.8Confident81.7Confident63 Ų6351.3 Ų51.334%0.33728%0.284SS..THydrogen-bonded Turntrans-87.38.1176.163.1-9.9000113.3R36 S41 I42R36-D38 WeakPolarHBondContact CB-OD1 3.4Å; R36-D38 IonicContact CZ-OD1 3.31Å; R36-D38 IonicContact CZ-OD2 2.67Å; R36-D38 IonicContact NE-OD1 2.61Å; R36-D38 PolarHBondContact NE-OD1 3.35Å; R36-D38 IonicContact NE-OD2 3.98Å; R36-D38 IonicContact NH2-OD1 2.7Å; R36-D38 IonicContact NH2-OD2 3.14Å; R36-D38 PolarHBondContact NH2-OD2 3.1Å; R36-D38 PolarHBondContact O-N 3.32Å; D38-S41 PolarHBondContact O-N 2.91Å; D38-S41 PolarHBondContact O-OG 3.39Å; D38-I42 HydrophobicContact CB-CD1 4.35Å; D38-I42 VanDerWaalsContact CG-CD1 3.45Å; D38-I42 WeakPolarHBondContact O-CG1 3.23Å; D38-I42 PolarHBondContact O-N 3.33Å; D38-I42 WeakPolarHBondContact OD1-CD1 3.29Å; D38-I42 WeakPolarHBondContact OD2-CD1 3.47Å
39C83.3Confident81.5Confident0 Ų050 Ų500%028%0.28CS..Hα-helixtrans-50.9-48.6179.3174.40000113L33 R36 A37 S41 I42 C43 Y66L33-C39 WeakPolarHBondContact O-CB 3.49Å; L33-C39 PolarHBondContact O-SG 3.31Å; R36-C39 WeakPolarHBondContact O-CB 3.41Å; R36-C39 PolarHBondContact O-N 3.25Å; R36-C39 VanDerWaalsContact O-N 3.1Å; A37-C39 VanDerWaalsContact C-N 3.29Å; C39-S41 VanDerWaalsContact C-N 3.34Å; C39-S41 PolarHBondContact O-N 3.12Å; C39-I42 PolarHBondContact O-N 2.77Å; C39-C43 WeakPolarHBondContact O-CB 3.44Å; C39-C43 PolarHBondContact O-N 3.08Å; C39-C43 PolarHBondContact O-SG 3.11Å; C39-Y66 HydrophobicContact CB-CD2 3.93Å; C39-Y66 HydrophobicContact CB-CE2 4.14Å; C39-Y66 HydrophobicContact CB-CG 4.3Å
40P82.6Confident81.2Confident24 Ų2449.2 Ų49.216%0.15627%0.273CS..Hα-helixtrans-58.7-42.5179.7-25.635.3000113.9Q44 L63 Y66 I82P40-Q44 WeakPolarHBondContact O-CB 3.48Å; P40-Q44 VanDerWaalsContact O-CG 3.3Å; P40-Q44 WeakPolarHBondContact O-CG 3.2Å; P40-Q44 PolarHBondContact O-N 3.16Å; P40-L63 HydrophobicContact CB-CD2 4.28Å; P40-Y66 HydrophobicContact CG-CD1 3.99Å; P40-Y66 HydrophobicContact CG-CE1 3.66Å; P40-I82 HydrophobicContact CB-CD1 4.25Å
41S84.3Confident80.8Confident61 Ų6155.3 Ų55.343%0.42731%0.31SS..Hα-helixtrans-67.6-43.2177.536.20000112.4D38 C39 Q44 L45D38-S41 PolarHBondContact O-N 2.91Å; D38-S41 PolarHBondContact O-OG 3.39Å; C39-S41 VanDerWaalsContact C-N 3.34Å; C39-S41 PolarHBondContact O-N 3.12Å; S41-Q44 PolarHBondContact O-N 3.3Å; S41-L45 WeakPolarHBondContact O-CG 3.49Å; S41-L45 PolarHBondContact O-N 2.99Å
42I84.7Confident80.9Confident21 Ų2153.6 Ų53.611%0.10830%0.298CS..Hα-helixtrans-64.7-44.9178.5-67170.7000110.4L4 L7 L33 R36 D38 C39 Q44 L45 L46L4-I42 HydrophobicContact CD1-CG2 4.48Å; L7-I42 HydrophobicContact CD2-CG2 3.76Å; L33-I42 HydrophobicContact CD1-CB 4.36Å; L33-I42 HydrophobicContact CD1-CD1 4.34Å; L33-I42 HydrophobicContact CD1-CG2 3.89Å; R36-I42 VanDerWaalsContact CZ-CD1 3.48Å; R36-I42 VanDerWaalsContact NH2-CD1 3.34Å; D38-I42 HydrophobicContact CB-CD1 4.35Å; D38-I42 VanDerWaalsContact CG-CD1 3.45Å; D38-I42 WeakPolarHBondContact O-CG1 3.23Å; D38-I42 PolarHBondContact O-N 3.33Å; D38-I42 WeakPolarHBondContact OD1-CD1 3.29Å; D38-I42 WeakPolarHBondContact OD2-CD1 3.47Å; C39-I42 PolarHBondContact O-N 2.77Å; I42-Q44 PolarHBondContact O-N 2.83Å; I42-L45 PolarHBondContact O-N 2.96Å; I42-L46 HydrophobicContact CG2-CD1 4.2Å; I42-L46 HydrophobicContact CG2-CG 4.38Å; I42-L46 WeakPolarHBondContact O-CB 3.25Å; I42-L46 WeakPolarHBondContact O-CG 3.45Å; I42-L46 PolarHBondContact O-N 2.92Å
43C85.1Confident81.1Confident0 Ų052.4 Ų52.40%029%0.29CS..Hα-helixtrans-66.2-36.7179.4-67.40000112.2C39 L46 L47 A59 L63C39-C43 WeakPolarHBondContact O-CB 3.44Å; C39-C43 PolarHBondContact O-N 3.08Å; C39-C43 PolarHBondContact O-SG 3.11Å; C43-L46 PolarHBondContact O-N 3.21Å; C43-L47 WeakPolarHBondContact O-CG 3.49Å; C43-L47 PolarHBondContact O-N 3.48Å; C43-A59 HydrophobicContact CB-CB 4.01Å; C43-L63 HydrophobicContact CB-CD1 3.67Å; C43-L63 HydrophobicContact CB-CD2 3.84Å; C43-L63 HydrophobicContact CB-CG 3.49Å; C43-L63 VanDerWaalsContact CB-CG 3.49Å
44Q84.9Confident81.4Confident57 Ų5755.8 Ų55.827%0.26630%0.303SS..Hα-helixtrans-63.4-43.9171.8-78.4179.9-8.800112P40 S41 I42 L47 Q48 F85P40-Q44 WeakPolarHBondContact O-CB 3.48Å; P40-Q44 VanDerWaalsContact O-CG 3.3Å; P40-Q44 WeakPolarHBondContact O-CG 3.2Å; P40-Q44 PolarHBondContact O-N 3.16Å; S41-Q44 PolarHBondContact O-N 3.3Å; I42-Q44 PolarHBondContact O-N 2.83Å; Q44-L47 PolarHBondContact O-N 3.5Å; Q44-Q48 WeakPolarHBondContact O-CG 3.48Å; Q44-Q48 PolarHBondContact O-N 3.47Å; Q44-F85 HydrophobicContact CB-CE1 4.47Å; Q44-F85 HydrophobicContact CG-CD1 4.06Å; Q44-F85 HydrophobicContact CG-CE1 4Å
45L83.8Confident81.9Confident76 Ų7654.7 Ų54.740%0.39830%0.295SS..Hα-helixtrans-63.1-42.4175.5-73.2170.4000111.9L4 S41 I42 L47 Q48 H49L4-L45 HydrophobicContact CD1-CB 4.32Å; S41-L45 WeakPolarHBondContact O-CG 3.49Å; S41-L45 PolarHBondContact O-N 2.99Å; I42-L45 PolarHBondContact O-N 2.96Å; L45-L47 PolarHBondContact O-N 2.79Å; L45-Q48 PolarHBondContact O-N 3.33Å; L45-H49 WeakPolarHBondContact O-CB 3.45Å; L45-H49 PolarHBondContact O-CD2 3.48Å; L45-H49 PolarHBondContact O-N 2.9Å
46L83.8Confident82.6Confident0 Ų047.7 Ų47.70%026%0.263CS..Hα-helixtrans-59.3-45.7173.4-76.8174.5000111L4 L7 E8 I42 C43 Q48 S50 A59L4-L46 HydrophobicContact CD1-CD2 3.58Å; L4-L46 HydrophobicContact CD1-CG 3.79Å; L4-L46 HydrophobicContact CG-CD2 4.03Å; L7-L46 HydrophobicContact CD2-CD1 3.72Å; L7-L46 HydrophobicContact CD2-CD2 4.49Å; L7-L46 HydrophobicContact CD2-CG 4.45Å; L7-L46 HydrophobicContact CG-CD1 4.42Å; E8-L46 HydrophobicContact CG-CD2 3.75Å; I42-L46 HydrophobicContact CG2-CD1 4.2Å; I42-L46 HydrophobicContact CG2-CG 4.38Å; I42-L46 WeakPolarHBondContact O-CB 3.25Å; I42-L46 WeakPolarHBondContact O-CG 3.45Å; I42-L46 PolarHBondContact O-N 2.92Å; C43-L46 PolarHBondContact O-N 3.21Å; L46-Q48 PolarHBondContact O-N 2.79Å; L46-S50 WeakPolarHBondContact O-CA 3.21Å; L46-S50 WeakPolarHBondContact O-CB 3.48Å; L46-S50 PolarHBondContact O-N 2.84Å; L46-S50 PolarHBondContact O-OG 3.32Å; L46-A59 HydrophobicContact CB-CB 3.98Å; L46-A59 HydrophobicContact CD1-CB 4.15Å
47L84.3Confident83.1Confident3 Ų345.4 Ų45.42%0.01626%0.256CS..Hα-helixtrans-64.7-38.4178.6-73.4167.5000112.3C43 Q44 L45 Q56 A59 L63 F85 Y89 L104C43-L47 WeakPolarHBondContact O-CG 3.49Å; C43-L47 PolarHBondContact O-N 3.48Å; Q44-L47 PolarHBondContact O-N 3.5Å; L45-L47 PolarHBondContact O-N 2.79Å; L47-Q56 HydrophobicContact CD2-CB 3.99Å; L47-Q56 HydrophobicContact CD2-CG 4.27Å; L47-A59 HydrophobicContact CD1-CB 4.48Å; L47-A59 HydrophobicContact CD2-CB 4.29Å; L47-A59 HydrophobicContact CG-CB 3.96Å; L47-L63 HydrophobicContact CD1-CD1 4.31Å; L47-F85 HydrophobicContact CB-CE1 4.18Å; L47-F85 HydrophobicContact CB-CZ 4.28Å; L47-F85 HydrophobicContact CD1-CE1 3.94Å; L47-Y89 HydrophobicContact CB-CE2 4.16Å; L47-Y89 HydrophobicContact CD2-CE1 4.26Å; L47-Y89 WeakPolarHBondContact O-CE2 3.25Å; L47-Y89 VanDerWaalsContact O-CZ 3.25Å; L47-Y89 PolarHBondContact O-OH 2.79Å; L47-L104 HydrophobicContact CD1-CD2 4.28Å; L47-L104 HydrophobicContact CD2-CD2 4.35Å
48Q84.3Confident83.7Confident112 Ų11241.3 Ų41.352%0.52322%0.221SC..Hα-helixtrans-74.9-36.7-179.8-70.8177.80.200113.9Q44 L45 L46 F85Q44-Q48 WeakPolarHBondContact O-CG 3.48Å; Q44-Q48 PolarHBondContact O-N 3.47Å; L45-Q48 PolarHBondContact O-N 3.33Å; L46-Q48 PolarHBondContact O-N 2.79Å; Q48-F85 HydrophobicContact CG-CE2 3.99Å; Q48-F85 HydrophobicContact CG-CZ 3.84Å
49H80.3Confident84Confident120 Ų12038.3 Ų38.356%0.55621%0.205SC*.Hα-helixtrans-103.9-29.3-171.8-68.6-65.9000114.3L4 L45 T51L4-H49 HydrophobicContact CD2-CB 4.45Å; L45-H49 WeakPolarHBondContact O-CB 3.45Å; L45-H49 PolarHBondContact O-CD2 3.48Å; L45-H49 PolarHBondContact O-N 2.9Å; H49-T51 PolarHBondContact O-N 3.44Å
50S74.8Confident84.3Confident6 Ų638.3 Ų38.34%0.04221%0.205CC..  trans-75.3127.8-173.176.40000111.5E8 L46 S52 S55 Q56E8-S50 VanDerWaalsContact OE1-CA 3.22Å; E8-S50 WeakPolarHBondContact OE1-CA 3.38Å; E8-S50 WeakPolarHBondContact OE1-CB 3.45Å; L46-S50 WeakPolarHBondContact O-CA 3.21Å; L46-S50 WeakPolarHBondContact O-CB 3.48Å; L46-S50 PolarHBondContact O-N 2.84Å; L46-S50 PolarHBondContact O-OG 3.32Å; S50-S52 VanDerWaalsContact C-N 3.32Å; S50-S55 WeakPolarHBondContact OG-CB 3.34Å; S50-Q56 PolarHBondContact O-NE2 3.24Å; S50-Q56 VanDerWaalsContact O-NE2 3.16Å
51T74.7Confident84.6Confident141 Ų14139.8 Ų39.887%0.86521%0.214SC*.  trans-85.7-10.117154.70000112.1H49H49-T51 PolarHBondContact O-N 3.44Å
52S84.2Confident84.7Confident28 Ų2837 Ų3720%0.19619%0.194CC..  trans-86.8123.8-178.4-1730000112S50 Y54 S55 Q56S50-S52 VanDerWaalsContact C-N 3.32Å; S52-Y54 PolarHBondContact O-N 3.38Å; S52-S55 PolarHBondContact O-N 2.8Å; S52-S55 VanDerWaalsContact O-N 3.16Å; S52-Q56 WeakPolarHBondContact O-CG 3.34Å; S52-Q56 PolarHBondContact O-N 3.45Å
53C86Confident84.8Confident31 Ų3136 Ų3621%0.20919%0.189CC..Hα-helixtrans-59.1-29.8174.5550000113.6Q56 L57 E97 F99 V100C53-Q56 PolarHBondContact O-N 2.8Å; C53-L57 WeakPolarHBondContact O-CB 3.39Å; C53-L57 PolarHBondContact O-N 2.92Å; C53-E97 HydrophobicContact CB-CB 4.24Å; C53-E97 HydrophobicContact CB-CG 3.78Å; C53-F99 HydrophobicContact CB-CE2 4.06Å; C53-F99 HydrophobicContact CB-CZ 3.71Å; C53-V100 HydrophobicContact CB-CG2 4.02Å; C53-V100 VanDerWaalsContact O-CG2 3.3Å; C53-V100 WeakPolarHBondContact O-CG2 3.43Å
54Y87.2Confident84.9Confident72 Ų7236.9 Ų36.928%0.28220%0.195SC..Hα-helixtrans-70.2-39.3176.5-59.1-61.2000112.2R12 Y15 T16 S52 L57 I58R12-Y54 HydrophobicContact CG-CD2 4.26Å; Y15-Y54 AromaticContact CD2-CD1 3.38Å; Y15-Y54 HydrophobicContact CD2-CD1 3.38Å; Y15-Y54 HydrophobicContact CD2-CE1 4Å; Y15-Y54 AromaticContact CD2-CG 3.9Å; Y15-Y54 HydrophobicContact CD2-CG 3.9Å; Y15-Y54 HydrophobicContact CE2-CD1 4.03Å; Y15-Y54 AromaticContact CG-CD1 3.75Å; Y15-Y54 HydrophobicContact CG-CD1 3.75Å; Y15-Y54 AromaticContact CG-CE1 3.87Å; Y15-Y54 HydrophobicContact CG-CE1 3.87Å; T16-Y54 HydrophobicContact CG2-CE2 3.97Å; S52-Y54 PolarHBondContact O-N 3.38Å; Y54-L57 PolarHBondContact O-N 3.1Å; Y54-I58 WeakPolarHBondContact O-CG1 3.41Å; Y54-I58 PolarHBondContact O-N 3.4Å
55S85.3Confident84.8Confident0 Ų040.7 Ų40.70%021%0.21CC..Hα-helixtrans-64.2-41.8174.2-62.20000111.5S50 S52 I58 A59S50-S55 WeakPolarHBondContact OG-CB 3.34Å; S52-S55 PolarHBondContact O-N 2.8Å; S52-S55 VanDerWaalsContact O-N 3.16Å; S55-I58 PolarHBondContact O-N 2.94Å; S55-A59 VanDerWaalsContact O-CB 3.27Å; S55-A59 WeakPolarHBondContact O-CB 3.33Å; S55-A59 PolarHBondContact O-N 3.46Å
56Q89.2Confident84.7Confident20 Ų2038.6 Ų38.69%0.09320%0.197CC..Hα-helixtrans-64.4-40.4175.8-63168.6-1000112L47 S50 S52 C53 S60 Y89 V100L47-Q56 HydrophobicContact CD2-CB 3.99Å; L47-Q56 HydrophobicContact CD2-CG 4.27Å; S50-Q56 PolarHBondContact O-NE2 3.24Å; S50-Q56 VanDerWaalsContact O-NE2 3.16Å; S52-Q56 WeakPolarHBondContact O-CG 3.34Å; S52-Q56 PolarHBondContact O-N 3.45Å; C53-Q56 PolarHBondContact O-N 2.8Å; Q56-S60 WeakPolarHBondContact O-CB 3.49Å; Q56-S60 PolarHBondContact O-N 2.94Å; Q56-S60 PolarHBondContact O-OG 2.92Å; Q56-Y89 PolarHBondContact NE2-OH 2.96Å; Q56-V100 HydrophobicContact CB-CG1 3.57Å; Q56-V100 HydrophobicContact CB-CG2 4.2Å
57L87.3Confident84.5Confident26 Ų2639.3 Ų39.314%0.13620%0.201CC..Hα-helixtrans-62.8-49.1174.9176.363.8000111.7Y15 C53 Y54 S60 T61 F99 V100 A103Y15-L57 HydrophobicContact CE2-CD2 4.38Å; C53-L57 WeakPolarHBondContact O-CB 3.39Å; C53-L57 PolarHBondContact O-N 2.92Å; Y54-L57 PolarHBondContact O-N 3.1Å; L57-S60 PolarHBondContact O-N 3.43Å; L57-T61 HydrophobicContact CD1-CG2 4.02Å; L57-T61 WeakPolarHBondContact O-CB 3.47Å; L57-T61 WeakPolarHBondContact O-CG2 3.4Å; L57-T61 PolarHBondContact O-N 3.09Å; L57-T61 PolarHBondContact O-OG1 3.33Å; L57-F99 HydrophobicContact CB-CD2 4.3Å; L57-F99 HydrophobicContact CB-CE2 4.26Å; L57-F99 HydrophobicContact CD1-CD2 4.23Å; L57-F99 HydrophobicContact CD2-CD2 3.94Å; L57-F99 HydrophobicContact CD2-CE2 4.18Å; L57-F99 HydrophobicContact CG-CD2 4.38Å; L57-V100 HydrophobicContact CB-CG2 4.43Å; L57-A103 HydrophobicContact CD1-CB 3.62Å
58I86.1Confident84.2Confident6 Ų640.9 Ų40.93%0.03121%0.212CC..Hα-helixtrans-65.9-41.3-179.6-70.9163.6000110.5C11 L14 Y15 C30 L33 Y54 S55 S60 T61 A62C11-I58 VanDerWaalsContact CA-CD1 3.45Å; C11-I58 HydrophobicContact CB-CD1 3.54Å; C11-I58 VanDerWaalsContact SG-CD1 3.52Å; L14-I58 HydrophobicContact CD2-CD1 3.96Å; Y15-I58 HydrophobicContact CE2-CD1 4.08Å; Y15-I58 HydrophobicContact CE2-CG1 4.41Å; C30-I58 HydrophobicContact CB-CG2 4.26Å; L33-I58 HydrophobicContact CD2-CG2 4.43Å; Y54-I58 WeakPolarHBondContact O-CG1 3.41Å; Y54-I58 PolarHBondContact O-N 3.4Å; S55-I58 PolarHBondContact O-N 2.94Å; I58-S60 VanDerWaalsContact C-N 3.35Å; I58-S60 PolarHBondContact O-N 3.49Å; I58-T61 WeakPolarHBondContact CA-OG1 3.47Å; I58-T61 PolarHBondContact O-N 3.34Å; I58-T61 PolarHBondContact O-OG1 3.02Å; I58-A62 WeakPolarHBondContact O-CB 3.4Å; I58-A62 PolarHBondContact O-N 2.75Å
59A87.9Confident83.4Confident0 Ų038.9 Ų38.90%021%0.205CC..Hα-helixtrans-59.2-45.3174.700000112C43 L46 L47 S55 L63C43-A59 HydrophobicContact CB-CB 4.01Å; L46-A59 HydrophobicContact CB-CB 3.98Å; L46-A59 HydrophobicContact CD1-CB 4.15Å; L47-A59 HydrophobicContact CD1-CB 4.48Å; L47-A59 HydrophobicContact CD2-CB 4.29Å; L47-A59 HydrophobicContact CG-CB 3.96Å; S55-A59 VanDerWaalsContact O-CB 3.27Å; S55-A59 WeakPolarHBondContact O-CB 3.33Å; S55-A59 PolarHBondContact O-N 3.46Å; A59-L63 WeakPolarHBondContact O-CB 3.2Å; A59-L63 VanDerWaalsContact O-CG 3.28Å; A59-L63 WeakPolarHBondContact O-CG 3.46Å; A59-L63 PolarHBondContact O-N 3.28Å
60S89.7Confident82.4Confident0 Ų040.7 Ų40.70%021%0.207CC..Hα-helixtrans-67.3-43-179.9-55.50000112.6Q56 L57 I58 T64 L104Q56-S60 WeakPolarHBondContact O-CB 3.49Å; Q56-S60 PolarHBondContact O-N 2.94Å; Q56-S60 PolarHBondContact O-OG 2.92Å; L57-S60 PolarHBondContact O-N 3.43Å; I58-S60 VanDerWaalsContact C-N 3.35Å; I58-S60 PolarHBondContact O-N 3.49Å; S60-T64 PolarHBondContact O-N 3.33Å; S60-T64 PolarHBondContact O-OG1 3.26Å; S60-L104 WeakPolarHBondContact OG-CD2 3.46Å; S60-L104 WeakPolarHBondContact OG-CG 3.19Å
61T88.6Confident81.4Confident55 Ų5547.1 Ų47.134%0.33724%0.241SC..Hα-helixtrans-73-37.4179.152.40000112.4L57 I58 T64 K65 A103L57-T61 HydrophobicContact CD1-CG2 4.02Å; L57-T61 WeakPolarHBondContact O-CB 3.47Å; L57-T61 WeakPolarHBondContact O-CG2 3.4Å; L57-T61 PolarHBondContact O-N 3.09Å; L57-T61 PolarHBondContact O-OG1 3.33Å; I58-T61 WeakPolarHBondContact CA-OG1 3.47Å; I58-T61 PolarHBondContact O-N 3.34Å; I58-T61 PolarHBondContact O-OG1 3.02Å; T61-T64 WeakPolarHBondContact O-CB 3.49Å; T61-T64 PolarHBondContact O-N 3.12Å; T61-K65 WeakPolarHBondContact O-CG 3.5Å; T61-K65 PolarHBondContact O-N 3.24Å; T61-A103 HydrophobicContact CG2-CB 4.28Å
62A86.6Confident80.6Confident3 Ų341.3 Ų41.33%0.02521%0.208CC..Hα-helixtrans-64.3-44.4173.800000111.4L33 I58 T64 K65 Y66L33-A62 HydrophobicContact CD2-CB 3.9Å; L33-A62 HydrophobicContact CG-CB 4.36Å; I58-A62 WeakPolarHBondContact O-CB 3.4Å; I58-A62 PolarHBondContact O-N 2.75Å; A62-T64 VanDerWaalsContact C-N 3.31Å; A62-T64 PolarHBondContact O-N 3.45Å; A62-K65 PolarHBondContact O-N 3.39Å; A62-Y66 WeakPolarHBondContact O-CB 2.81Å; A62-Y66 PolarHBondContact O-N 2.98Å
63L87.7Confident79.5Confident0 Ų047.9 Ų47.90%024%0.239CC..Hα-helixtrans-56.9-45.4171.3-79172000111.5P40 C43 L47 A59 K65 Y66 I67 L107P40-L63 HydrophobicContact CB-CD2 4.28Å; C43-L63 HydrophobicContact CB-CD1 3.67Å; C43-L63 HydrophobicContact CB-CD2 3.84Å; C43-L63 HydrophobicContact CB-CG 3.49Å; C43-L63 VanDerWaalsContact CB-CG 3.49Å; L47-L63 HydrophobicContact CD1-CD1 4.31Å; A59-L63 WeakPolarHBondContact O-CB 3.2Å; A59-L63 VanDerWaalsContact O-CG 3.28Å; A59-L63 WeakPolarHBondContact O-CG 3.46Å; A59-L63 PolarHBondContact O-N 3.28Å; L63-K65 VanDerWaalsContact C-N 3.32Å; L63-K65 PolarHBondContact O-N 3.5Å; L63-Y66 PolarHBondContact O-N 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.49Å; L63-I67 WeakPolarHBondContact O-CG2 3.44Å; L63-I67 PolarHBondContact O-N 2.97Å; L63-L107 HydrophobicContact CB-CD1 3.81Å; L63-L107 HydrophobicContact CB-CD2 3.91Å; L63-L107 HydrophobicContact CD1-CD2 3.84Å
64T87.1Confident78.7Confident18 Ų1847.7 Ų47.711%0.1124%0.235CC..Hα-helixtrans-62-39.8179.8-55.70000111.8S60 T61 A62 I67 S68 T106 L107 R110S60-T64 PolarHBondContact O-N 3.33Å; S60-T64 PolarHBondContact O-OG1 3.26Å; T61-T64 WeakPolarHBondContact O-CB 3.49Å; T61-T64 PolarHBondContact O-N 3.12Å; A62-T64 VanDerWaalsContact C-N 3.31Å; A62-T64 PolarHBondContact O-N 3.45Å; T64-I67 WeakPolarHBondContact O-CG1 3.24Å; T64-S68 WeakPolarHBondContact O-CB 3.45Å; T64-S68 PolarHBondContact O-N 3.02Å; T64-S68 PolarHBondContact O-OG 2.97Å; T64-T106 HydrophobicContact CG2-CG2 4.42Å; T64-L107 WeakPolarHBondContact OG1-CA 3.32Å; T64-L107 WeakPolarHBondContact OG1-CB 3.45Å; T64-R110 HydrophobicContact CG2-CB 4.23Å; T64-R110 HydrophobicContact CG2-CG 4.17Å
65K82.9Confident78Confident138 Ų13847.3 Ų47.360%0.624%0.243SC*.Hα-helixtrans-68.7-45.4174.4-75.1-177.8178.7-177.90111.8T61 A62 L63 I67 S68 N69T61-K65 WeakPolarHBondContact O-CG 3.5Å; T61-K65 PolarHBondContact O-N 3.24Å; A62-K65 PolarHBondContact O-N 3.39Å; L63-K65 VanDerWaalsContact C-N 3.32Å; L63-K65 PolarHBondContact O-N 3.5Å; K65-I67 PolarHBondContact O-N 3.17Å; K65-S68 CarbonylContact O-C 3.56Å; K65-S68 PolarHBondContact O-N 3.5Å; K65-S68 VanDerWaalsContact O-N 3.12Å; K65-N69 PolarHBondContact O-N 2.84Å
66Y81.6Confident77.2Confident31 Ų3148.6 Ų48.612%0.12225%0.249CC..Hα-helixtrans-58.9-47.6-179.7-174.6-98000111.7C34 R36 C39 P40 A62 L63 S68 N69 A72 I74C34-Y66 WeakPolarHBondContact O-CD2 3.42Å; R36-Y66 WeakPolarHBondContact O-CE2 3.44Å; C39-Y66 HydrophobicContact CB-CD2 3.93Å; C39-Y66 HydrophobicContact CB-CE2 4.14Å; C39-Y66 HydrophobicContact CB-CG 4.3Å; P40-Y66 HydrophobicContact CG-CD1 3.99Å; P40-Y66 HydrophobicContact CG-CE1 3.66Å; A62-Y66 WeakPolarHBondContact O-CB 2.81Å; A62-Y66 PolarHBondContact O-N 2.98Å; L63-Y66 PolarHBondContact O-N 3.29Å; Y66-S68 VanDerWaalsContact C-N 3.25Å; Y66-S68 PolarHBondContact O-N 3.21Å; Y66-N69 WeakPolarHBondContact O-CB 3.46Å; Y66-N69 PolarHBondContact O-N 3.12Å; Y66-A72 HydrophobicContact CD1-CB 4.35Å; Y66-A72 HydrophobicContact CE1-CB 3.99Å; Y66-A72 HydrophobicContact CE2-CB 4.24Å; Y66-A72 WeakPolarHBondContact O-CB 3.32Å; Y66-I74 HydrophobicContact CD1-CD1 3.6Å; Y66-I74 HydrophobicContact CD1-CG1 4.45Å; Y66-I74 HydrophobicContact CE1-CD1 3.5Å; Y66-I74 HydrophobicContact CE1-CG1 3.87Å
67I79.8Confident76.7Confident15 Ų1551 Ų518%0.07727%0.272CS..Hα-helixtrans-69-23.9177.967.1176.1000113.2L63 T64 K65 N69 I74 L107 R110 L111 L114L63-I67 WeakPolarHBondContact O-CG1 3.49Å; L63-I67 WeakPolarHBondContact O-CG2 3.44Å; L63-I67 PolarHBondContact O-N 2.97Å; T64-I67 WeakPolarHBondContact O-CG1 3.24Å; K65-I67 PolarHBondContact O-N 3.17Å; I67-N69 VanDerWaalsContact C-N 3.33Å; I67-I74 HydrophobicContact CB-CD1 4.34Å; I67-I74 HydrophobicContact CG2-CD1 3.76Å; I67-L107 HydrophobicContact CD1-CD1 3.64Å; I67-R110 HydrophobicContact CD1-CB 4.15Å; I67-R110 HydrophobicContact CD1-CG 3.76Å; I67-R110 HydrophobicContact CG1-CG 4.22Å; I67-L111 HydrophobicContact CB-CD2 4.39Å; I67-L111 HydrophobicContact CD1-CB 4.46Å; I67-L111 HydrophobicContact CD1-CD2 3.63Å; I67-L111 HydrophobicContact CD1-CG 3.54Å; I67-L111 HydrophobicContact CG2-CD2 3.98Å; I67-L114 HydrophobicContact CB-CD1 4.41Å; I67-L114 HydrophobicContact CD1-CD1 4.39Å; I67-L114 HydrophobicContact CG1-CD1 4.2Å; I67-L114 WeakPolarHBondContact O-CD1 3.46Å
68S76.3Confident76.3Confident36 Ų3652.4 Ų52.425%0.25228%0.284SS..Hα-helixtrans-84.3-13.2177.4-58.20000111.8T64 K65 Y66 R110T64-S68 WeakPolarHBondContact O-CB 3.45Å; T64-S68 PolarHBondContact O-N 3.02Å; T64-S68 PolarHBondContact O-OG 2.97Å; K65-S68 CarbonylContact O-C 3.56Å; K65-S68 PolarHBondContact O-N 3.5Å; K65-S68 VanDerWaalsContact O-N 3.12Å; Y66-S68 VanDerWaalsContact C-N 3.25Å; Y66-S68 PolarHBondContact O-N 3.21Å; S68-R110 PolarHBondContact OG-NH1 2.87Å; S68-R110 VanDerWaalsContact OG-NH1 3.1Å
69N68.8Low76.2Confident71 Ų7154.3 Ų54.338%0.3829%0.291SS..  trans-75.1128.6177.7-170.2-0.9000110.5K65 Y66 I67 D71 A72K65-N69 PolarHBondContact O-N 2.84Å; Y66-N69 WeakPolarHBondContact O-CB 3.46Å; Y66-N69 PolarHBondContact O-N 3.12Å; I67-N69 VanDerWaalsContact C-N 3.33Å; N69-D71 VanDerWaalsContact C-N 3.27Å; N69-D71 PolarHBondContact O-N 3.31Å; N69-D71 PolarHBondContact OD1-N 3.16Å; N69-A72 HydrophobicContact CB-CB 4.43Å; N69-A72 PolarHBondContact O-N 3.2Å
70R58.2Low76Confident158 Ų15855.6 Ų55.660%0.59630%0.298SS*.THydrogen-bonded Turntrans-65.7-29.5-177.7-71.3-173.2177.3-177.92.5113.3A72 S165R70-A72 VanDerWaalsContact C-N 3.27Å; R70-A72 PolarHBondContact O-N 3.32Å; R70-S165 PolarHBondContact NH2-O 3.44Å; R70-S165 VanDerWaalsContact NH2-O 3.13Å
71D54.9Low75.8Confident140 Ų14058.2 Ų58.275%0.74932%0.319SS*.THydrogen-bonded Turntrans-78.8-14-176.6-59.5-30.2000112.5N69 I73N69-D71 VanDerWaalsContact C-N 3.27Å; N69-D71 PolarHBondContact O-N 3.31Å; N69-D71 PolarHBondContact OD1-N 3.16Å; D71-I73 PolarHBondContact O-N 3.39Å
72A57.1Low75.8Confident20 Ų2055.8 Ų55.817%0.16530%0.304CS..  trans-8294.3178.700000110.7Y66 N69 R70 I74Y66-A72 HydrophobicContact CD1-CB 4.35Å; Y66-A72 HydrophobicContact CE1-CB 3.99Å; Y66-A72 HydrophobicContact CE2-CB 4.24Å; Y66-A72 WeakPolarHBondContact O-CB 3.32Å; N69-A72 HydrophobicContact CB-CB 4.43Å; N69-A72 PolarHBondContact O-N 3.2Å; R70-A72 VanDerWaalsContact C-N 3.27Å; R70-A72 PolarHBondContact O-N 3.32Å; A72-I74 HydrophobicContact CB-CD1 4.38Å; A72-I74 HydrophobicContact CB-CG1 4.26Å; A72-I74 PolarHBondContact O-N 2.8Å; A72-I74 VanDerWaalsContact O-N 3.07Å
73I61.6Low76Confident166 Ų16655.9 Ų55.985%0.85130%0.304SS*.  trans-76.195.6172.7-55.4174.3000108.9D71D71-I73 PolarHBondContact O-N 3.39Å
74I69.4Low76.1Confident27 Ų2758.8 Ų58.814%0.13832%0.319CS..  trans-105.9121.8178.1-48.5171.4000109.4Y66 I67 A72 R79Y66-I74 HydrophobicContact CD1-CD1 3.6Å; Y66-I74 HydrophobicContact CD1-CG1 4.45Å; Y66-I74 HydrophobicContact CE1-CD1 3.5Å; Y66-I74 HydrophobicContact CE1-CG1 3.87Å; I67-I74 HydrophobicContact CB-CD1 4.34Å; I67-I74 HydrophobicContact CG2-CD1 3.76Å; A72-I74 HydrophobicContact CB-CD1 4.38Å; A72-I74 HydrophobicContact CB-CG1 4.26Å; A72-I74 PolarHBondContact O-N 2.8Å; A72-I74 VanDerWaalsContact O-N 3.07Å; I74-R79 HydrophobicContact CB-CG 3.87Å; I74-R79 HydrophobicContact CG2-CG 3.54Å; I74-R79 PolarHBondContact O-NE 3.12Å
75S71.4Confident76.2Confident64 Ų6459.9 Ų59.945%0.44832%0.323SS..  trans-55.6147177.488.90000111.2A77 S78 R79S75-A77 VanDerWaalsContact C-N 3.32Å; S75-A77 PolarHBondContact O-N 2.98Å; S75-S78 PolarHBondContact O-N 3.32Å; S75-S78 VanDerWaalsContact O-N 3.14Å; S75-S78 WeakPolarHBondContact OG-CB 3.48Å; S75-S78 PolarHBondContact OG-N 3.29Å; S75-S78 VanDerWaalsContact OG-N 3.14Å; S75-S78 PolarHBondContact OG-OG 2.95Å; S75-R79 PolarHBondContact O-N 3.17Å
76H70Confident76.6Confident27 Ų2753.3 Ų53.313%0.12529%0.294CS..Hα-helixtrans-54.8-47.1177.8172.7-100.2000112.3S78 R79 L80 D118 I120 F126H76-S78 VanDerWaalsContact C-N 3.28Å; H76-S78 PolarHBondContact O-N 3.31Å; H76-R79 PolarHBondContact O-N 3.38Å; H76-R79 VanDerWaalsContact O-N 3.13Å; H76-L80 WeakPolarHBondContact CE1-CD1 3.16Å; H76-L80 PolarHBondContact O-N 3.22Å; H76-D118 WeakPolarHBondContact CD2-CB 3.22Å; H76-D118 IonicContact CD2-OD2 3.08Å; H76-D118 PolarHBondContact NE2-O 3.49Å; H76-I120 HydrophobicContact CB-CD1 3.94Å; H76-I120 WeakPolarHBondContact ND1-CD1 3.43Å; H76-F126 AromaticContact CD2-CE2 3.65Å; H76-F126 AromaticContact NE2-CD2 3.85Å; H76-F126 AromaticContact NE2-CE2 3.53Å
77A77Confident77Confident69 Ų6952.3 Ų52.357%0.5729%0.291SS*.Hα-helixtrans-58.5-39.7178.200000112.1S75 A81S75-A77 VanDerWaalsContact C-N 3.32Å; S75-A77 PolarHBondContact O-N 2.98Å; A77-A81 WeakPolarHBondContact O-CB 3.48Å; A77-A81 PolarHBondContact O-N 3.09Å
78S80Confident77.4Confident56 Ų5657.1 Ų57.139%0.39232%0.317SS..Hα-helixtrans-67.6-41175.9-56.60000112.3S75 H76 A81 I82S75-S78 PolarHBondContact O-N 3.32Å; S75-S78 VanDerWaalsContact O-N 3.14Å; S75-S78 WeakPolarHBondContact OG-CB 3.48Å; S75-S78 PolarHBondContact OG-N 3.29Å; S75-S78 VanDerWaalsContact OG-N 3.14Å; S75-S78 PolarHBondContact OG-OG 2.95Å; H76-S78 VanDerWaalsContact C-N 3.28Å; H76-S78 PolarHBondContact O-N 3.31Å; S78-A81 PolarHBondContact O-N 2.72Å; S78-I82 VanDerWaalsContact O-CG1 3.25Å; S78-I82 WeakPolarHBondContact O-CG1 3.4Å; S78-I82 PolarHBondContact O-N 2.97Å
79R83.5Confident78Confident47 Ų4756.1 Ų56.118%0.17731%0.308CS..Hα-helixtrans-63.5-43.4177-71.4-172.7-80.8139.93.9111.7I74 S75 H76 I82 R83 L111 D118 F126I74-R79 HydrophobicContact CB-CG 3.87Å; I74-R79 HydrophobicContact CG2-CG 3.54Å; I74-R79 PolarHBondContact O-NE 3.12Å; S75-R79 PolarHBondContact O-N 3.17Å; H76-R79 PolarHBondContact O-N 3.38Å; H76-R79 VanDerWaalsContact O-N 3.13Å; R79-I82 PolarHBondContact O-N 3.3Å; R79-R83 PolarHBondContact O-N 3.19Å; R79-L111 HydrophobicContact CB-CD2 4.17Å; R79-L111 HydrophobicContact CG-CD2 4.37Å; R79-D118 IonicContact CZ-OD2 2.71Å; R79-D118 IonicContact NH1-OD2 3.71Å; R79-D118 PolarHBondContact NH1-OD2 2.87Å; R79-D118 IonicContact NH2-OD2 2.76Å; R79-D118 PolarHBondContact NH2-OD2 3.37Å; R79-F126 HydrophobicContact CB-CZ 3.83Å
80L83.6Confident78.9Confident27 Ų2753.3 Ų53.314%0.14129%0.293CS..Hα-helixtrans-61.8-45.7173.5-81.4177.7000111.5H76 I82 R83 D84 F126H76-L80 WeakPolarHBondContact CE1-CD1 3.16Å; H76-L80 PolarHBondContact O-N 3.22Å; L80-I82 VanDerWaalsContact C-N 3.29Å; L80-I82 PolarHBondContact O-N 2.87Å; L80-R83 WeakPolarHBondContact O-CB 3.44Å; L80-R83 PolarHBondContact O-N 3.31Å; L80-R83 VanDerWaalsContact O-N 3.09Å; L80-D84 VanDerWaalsContact O-CG 3.29Å; L80-D84 PolarHBondContact O-N 3.4Å; L80-F126 HydrophobicContact CB-CZ 4.25Å; L80-F126 HydrophobicContact CD1-CE2 4.43Å; L80-F126 HydrophobicContact CD2-CD1 3.81Å; L80-F126 HydrophobicContact CD2-CD2 3.6Å; L80-F126 HydrophobicContact CD2-CE1 3.63Å; L80-F126 HydrophobicContact CD2-CE2 3.43Å; L80-F126 VanDerWaalsContact CD2-CE2 3.43Å; L80-F126 HydrophobicContact CD2-CG 3.8Å; L80-F126 HydrophobicContact CD2-CZ 3.44Å; L80-F126 VanDerWaalsContact CD2-CZ 3.44Å; L80-F126 HydrophobicContact CG-CD2 4.11Å; L80-F126 HydrophobicContact CG-CE1 4.23Å; L80-F126 HydrophobicContact CG-CE2 3.49Å; L80-F126 VanDerWaalsContact CG-CE2 3.49Å; L80-F126 HydrophobicContact CG-CZ 3.56Å
81A86.3Confident80.1Confident54 Ų5448.8 Ų48.845%0.44629%0.289SS..Hα-helixtrans-59.7-37.7177.700000112.7A77 S78 F85A77-A81 WeakPolarHBondContact O-CB 3.48Å; A77-A81 PolarHBondContact O-N 3.09Å; S78-A81 PolarHBondContact O-N 2.72Å; A81-F85 WeakPolarHBondContact O-CB 3.14Å; A81-F85 PolarHBondContact O-N 3.32Å
82I87.8Confident81.5Confident5 Ų545 Ų453%0.02628%0.283CS..Hα-helixtrans-67-42.7175-64.1162.1000110.7P40 S78 R79 L80 F85 A86 L111P40-I82 HydrophobicContact CB-CD1 4.25Å; S78-I82 VanDerWaalsContact O-CG1 3.25Å; S78-I82 WeakPolarHBondContact O-CG1 3.4Å; S78-I82 PolarHBondContact O-N 2.97Å; R79-I82 PolarHBondContact O-N 3.3Å; L80-I82 VanDerWaalsContact C-N 3.29Å; L80-I82 PolarHBondContact O-N 2.87Å; I82-F85 PolarHBondContact O-N 3.4Å; I82-A86 WeakPolarHBondContact O-CB 3.33Å; I82-A86 PolarHBondContact O-N 3.5Å; I82-L111 HydrophobicContact CB-CD1 4.24Å; I82-L111 HydrophobicContact CG2-CD1 3.8Å
83R90.5Very high82.7Confident4 Ų448.3 Ų48.32%0.01530%0.295CS..Hα-helixtrans-60.8-50.2176.7-177.6-159.369.6164.9-0.6111.1R79 L80 F85 A86 L87 I108 L111 G125 F126 D128R79-R83 PolarHBondContact O-N 3.19Å; L80-R83 WeakPolarHBondContact O-CB 3.44Å; L80-R83 PolarHBondContact O-N 3.31Å; L80-R83 VanDerWaalsContact O-N 3.09Å; R83-F85 VanDerWaalsContact C-N 3.31Å; R83-F85 PolarHBondContact O-N 3.19Å; R83-A86 PolarHBondContact O-N 3.48Å; R83-L87 HydrophobicContact CG-CD1 4.12Å; R83-L87 WeakPolarHBondContact O-CG 3.43Å; R83-L87 PolarHBondContact O-N 3.49Å; R83-I108 HydrophobicContact CG-CG2 4.34Å; R83-L111 HydrophobicContact CB-CB 4.43Å; R83-L111 HydrophobicContact CB-CD1 3.97Å; R83-G125 PolarHBondContact NH1-O 3.31Å; R83-F126 HydrophobicContact CB-CE1 4.21Å; R83-F126 VanDerWaalsContact NH1-CA 3.3Å; R83-F126 PolarHBondContact NH1-O 3.41Å; R83-D128 IonicContact CZ-OD1 3.54Å; R83-D128 VanDerWaalsContact CZ-OD1 3.31Å; R83-D128 IonicContact NH1-OD1 3.17Å; R83-D128 PolarHBondContact NH1-OD1 3.44Å; R83-D128 IonicContact NH2-OD1 2.73Å; R83-D128 PolarHBondContact NH2-OD1 2.97Å; R83-D128 VanDerWaalsContact NH2-OD1 3.13Å; R83-D128 IonicContact NH2-OD2 3.44Å; R83-D128 PolarHBondContact NH2-OD2 3.01Å
84D89.6Confident83Confident61 Ų6144.9 Ų44.933%0.32629%0.291SS..Hα-helixtrans-66.7-36.9-178.1-63.7-13.9000110.8L80 L87 N88L80-D84 VanDerWaalsContact O-CG 3.29Å; L80-D84 PolarHBondContact O-N 3.4Å; D84-L87 PolarHBondContact O-N 2.87Å; D84-N88 VanDerWaalsContact O-CB 3.3Å; D84-N88 WeakPolarHBondContact O-CB 3.35Å; D84-N88 PolarHBondContact O-N 2.94Å; D84-N88 PolarHBondContact O-ND2 3.47Å
85F89.9Confident83.3Confident41 Ų4147.2 Ų47.218%0.1832%0.322CS..Hα-helixtrans-59.7-48.1170.2173.5-100.8000111.7Q44 L47 Q48 A81 I82 R83 L87 N88 Y89Q44-F85 HydrophobicContact CB-CE1 4.47Å; Q44-F85 HydrophobicContact CG-CD1 4.06Å; Q44-F85 HydrophobicContact CG-CE1 4Å; L47-F85 HydrophobicContact CB-CE1 4.18Å; L47-F85 HydrophobicContact CB-CZ 4.28Å; L47-F85 HydrophobicContact CD1-CE1 3.94Å; Q48-F85 HydrophobicContact CG-CE2 3.99Å; Q48-F85 HydrophobicContact CG-CZ 3.84Å; A81-F85 WeakPolarHBondContact O-CB 3.14Å; A81-F85 PolarHBondContact O-N 3.32Å; I82-F85 PolarHBondContact O-N 3.4Å; R83-F85 VanDerWaalsContact C-N 3.31Å; R83-F85 PolarHBondContact O-N 3.19Å; F85-L87 PolarHBondContact O-N 3.19Å; F85-N88 PolarHBondContact O-N 3.42Å; F85-Y89 HydrophobicContact CZ-CD2 4.15Å; F85-Y89 VanDerWaalsContact O-CB 3.23Å; F85-Y89 WeakPolarHBondContact O-CB 3.38Å; F85-Y89 PolarHBondContact O-N 3.49Å
86A91.1Very high83.9Confident1 Ų145.4 Ų45.41%0.00831%0.307CS..Hα-helixtrans-64.2-40.2179.200000112.4I82 R83 Y89 L90 L107 I108I82-A86 WeakPolarHBondContact O-CB 3.33Å; I82-A86 PolarHBondContact O-N 3.5Å; R83-A86 PolarHBondContact O-N 3.48Å; A86-Y89 PolarHBondContact O-N 2.88Å; A86-L90 WeakPolarHBondContact O-CG 3.18Å; A86-L90 PolarHBondContact O-N 3.32Å; A86-L107 HydrophobicContact CB-CD2 4.48Å; A86-I108 HydrophobicContact CB-CD1 4.02Å; A86-I108 HydrophobicContact CB-CG1 3.74Å
87L89.6Confident84.7Confident10 Ų1049.2 Ų49.25%0.05233%0.325CS..Hα-helixtrans-62.3-47.8174.1-76.8167.7000111.7R83 D84 F85 Y89 L90 A91 I108 I129 C132 F136 I151R83-L87 HydrophobicContact CG-CD1 4.12Å; R83-L87 WeakPolarHBondContact O-CG 3.43Å; R83-L87 PolarHBondContact O-N 3.49Å; D84-L87 PolarHBondContact O-N 2.87Å; F85-L87 PolarHBondContact O-N 3.19Å; L87-Y89 VanDerWaalsContact C-N 3.3Å; L87-Y89 PolarHBondContact O-N 3.07Å; L87-L90 PolarHBondContact O-N 3.31Å; L87-A91 WeakPolarHBondContact O-CB 3.38Å; L87-A91 PolarHBondContact O-N 3.34Å; L87-I108 HydrophobicContact CD2-CD1 3.89Å; L87-I108 HydrophobicContact CD2-CG2 4.21Å; L87-I108 HydrophobicContact CG-CD1 4.05Å; L87-I108 HydrophobicContact CG-CG1 4.42Å; L87-I108 HydrophobicContact CG-CG2 4.4Å; L87-I129 HydrophobicContact CD1-CD1 4.38Å; L87-I129 HydrophobicContact CD2-CD1 4.43Å; L87-C132 HydrophobicContact CD1-CB 4.27Å; L87-F136 HydrophobicContact CD2-CE2 4.18Å; L87-I151 HydrophobicContact CD2-CD1 4.17Å
88N89Confident85.1Confident116 Ų11653.4 Ų53.462%0.6233%0.33SS*.Hα-helixtrans-65.3-35.3177-72.6-35.9000112D84 F85 A91 G92D84-N88 VanDerWaalsContact O-CB 3.3Å; D84-N88 WeakPolarHBondContact O-CB 3.35Å; D84-N88 PolarHBondContact O-N 2.94Å; D84-N88 PolarHBondContact O-ND2 3.47Å; F85-N88 PolarHBondContact O-N 3.42Å; N88-A91 PolarHBondContact O-N 3.49Å; N88-G92 PolarHBondContact O-N 2.94Å
89Y87.9Confident85.4Confident14 Ų1454.6 Ų54.66%0.05533%0.329CS..Hα-helixtrans-64.7-44.9176-170-92.5000111.2L47 Q56 F85 A86 L87 G92 H93 L96 L104L47-Y89 HydrophobicContact CB-CE2 4.16Å; L47-Y89 HydrophobicContact CD2-CE1 4.26Å; L47-Y89 WeakPolarHBondContact O-CE2 3.25Å; L47-Y89 VanDerWaalsContact O-CZ 3.25Å; L47-Y89 PolarHBondContact O-OH 2.79Å; Q56-Y89 PolarHBondContact NE2-OH 2.96Å; F85-Y89 HydrophobicContact CZ-CD2 4.15Å; F85-Y89 VanDerWaalsContact O-CB 3.23Å; F85-Y89 WeakPolarHBondContact O-CB 3.38Å; F85-Y89 PolarHBondContact O-N 3.49Å; A86-Y89 PolarHBondContact O-N 2.88Å; L87-Y89 VanDerWaalsContact C-N 3.3Å; L87-Y89 PolarHBondContact O-N 3.07Å; Y89-G92 PolarHBondContact O-N 3.25Å; Y89-H93 AromaticContact CD2-CE1 3.54Å; Y89-H93 AromaticContact CD2-ND1 3.73Å; Y89-H93 AromaticContact CE2-CE1 3.43Å; Y89-H93 VanDerWaalsContact CE2-CE1 3.43Å; Y89-H93 WeakPolarHBondContact CE2-CE1 3.37Å; Y89-H93 AromaticContact CE2-ND1 3.8Å; Y89-H93 AromaticContact CE2-NE2 3.9Å; Y89-H93 AromaticContact CG-ND1 3.93Å; Y89-H93 WeakPolarHBondContact O-CB 3.44Å; Y89-H93 PolarHBondContact O-N 3.5Å; Y89-H93 PolarHBondContact O-ND1 3.32Å; Y89-L96 HydrophobicContact CD1-CD1 4.1Å; Y89-L96 HydrophobicContact CE1-CD1 3.88Å; Y89-L96 HydrophobicContact CE1-CD2 3.9Å; Y89-L104 HydrophobicContact CD1-CD1 3.71Å; Y89-L104 HydrophobicContact CE1-CD1 4.01Å
90L87.6Confident85.7Confident13 Ų1352.4 Ų52.47%0.06832%0.32CS..Hα-helixtrans-62-42.9172.9-76.3177.2000112.2A86 L87 L96 Q101 L104 I105 I108A86-L90 WeakPolarHBondContact O-CG 3.18Å; A86-L90 PolarHBondContact O-N 3.32Å; L87-L90 PolarHBondContact O-N 3.31Å; L90-L96 HydrophobicContact CD2-CD1 4.04Å; L90-Q101 HydrophobicContact CD2-CG 4.05Å; L90-L104 HydrophobicContact CD1-CB 4.17Å; L90-L104 HydrophobicContact CD2-CB 3.97Å; L90-L104 HydrophobicContact CD2-CD1 3.66Å; L90-L104 HydrophobicContact CD2-CG 4.49Å; L90-L104 HydrophobicContact CG-CB 4.13Å; L90-L104 HydrophobicContact CG-CD1 4.14Å; L90-I105 HydrophobicContact CD1-CG1 3.96Å; L90-I108 HydrophobicContact CD1-CD1 3.49Å; L90-I108 VanDerWaalsContact CD1-CD1 3.49Å
91A84.8Confident86Confident63 Ų6352.5 Ų52.552%0.52132%0.32SS..Hα-helixtrans-66.3-35.8178.500000113.2L87 N88 F136L87-A91 WeakPolarHBondContact O-CB 3.38Å; L87-A91 PolarHBondContact O-N 3.34Å; N88-A91 PolarHBondContact O-N 3.49Å; A91-F136 HydrophobicContact CB-CE1 3.73Å; A91-F136 HydrophobicContact CB-CZ 3.73Å
92G83.6Confident86.3Confident60 Ų6053.4 Ų53.462%0.61932%0.315SS*.Hα-helixtrans-80.5-20.2-177.400000115N88 Y89N88-G92 PolarHBondContact O-N 2.94Å; Y89-G92 PolarHBondContact O-N 3.25Å
93H81.4Confident86.4Confident90 Ų9053.6 Ų53.642%0.41732%0.318SS..  trans-120.581.7-171.4-60.982.8000112Y89 G95 L96Y89-H93 AromaticContact CD2-CE1 3.54Å; Y89-H93 AromaticContact CD2-ND1 3.73Å; Y89-H93 AromaticContact CE2-CE1 3.43Å; Y89-H93 VanDerWaalsContact CE2-CE1 3.43Å; Y89-H93 WeakPolarHBondContact CE2-CE1 3.37Å; Y89-H93 AromaticContact CE2-ND1 3.8Å; Y89-H93 AromaticContact CE2-NE2 3.9Å; Y89-H93 AromaticContact CG-ND1 3.93Å; Y89-H93 WeakPolarHBondContact O-CB 3.44Å; Y89-H93 PolarHBondContact O-N 3.5Å; Y89-H93 PolarHBondContact O-ND1 3.32Å; H93-G95 PolarHBondContact O-N 3Å; H93-G95 VanDerWaalsContact O-N 3.08Å; H93-L96 HydrophobicContact CB-CD1 3.78Å; H93-L96 HydrophobicContact CB-CD2 4.33Å; H93-L96 HydrophobicContact CB-CG 3.76Å
94A69.9Low86.5Confident93 Ų9353.4 Ų53.477%0.76932%0.317SS*.THydrogen-bonded Turntrans-65.9-8.1-179.600000115.3
95G75.4Confident86.7Confident76 Ų7650.5 Ų50.578%0.78430%0.301SS*.THydrogen-bonded Turntrans-112.120.2-175.200000115.5H93H93-G95 PolarHBondContact O-N 3Å; H93-G95 VanDerWaalsContact O-N 3.08Å
96L84.1Confident86.8Confident27 Ų2750.8 Ų50.814%0.14131%0.306CS..  trans-68.2144178.7-71.9165.5000111.6Y89 L90 H93 V100 L104Y89-L96 HydrophobicContact CD1-CD1 4.1Å; Y89-L96 HydrophobicContact CE1-CD1 3.88Å; Y89-L96 HydrophobicContact CE1-CD2 3.9Å; L90-L96 HydrophobicContact CD2-CD1 4.04Å; H93-L96 HydrophobicContact CB-CD1 3.78Å; H93-L96 HydrophobicContact CB-CD2 4.33Å; H93-L96 HydrophobicContact CB-CG 3.76Å; L96-V100 HydrophobicContact CD2-CG1 4.26Å; L96-L104 HydrophobicContact CD1-CD1 4.12Å
97E86.6Confident86.9Confident106 Ų10650.8 Ų50.850%0.49531%0.306SS..  trans-61.6139171.4-72-65.4163.300110.9C53 F99 V100 Q101C53-E97 HydrophobicContact CB-CB 4.24Å; C53-E97 HydrophobicContact CB-CG 3.78Å; E97-F99 HydrophobicContact CB-CD1 4.01Å; E97-F99 HydrophobicContact CB-CE1 3.56Å; E97-F99 HydrophobicContact CB-CE2 4.39Å; E97-F99 HydrophobicContact CB-CZ 3.78Å; E97-F99 HydrophobicContact CG-CE1 3.98Å; E97-F99 HydrophobicContact CG-CZ 4.1Å; E97-F99 PolarHBondContact O-N 3.02Å; E97-F99 VanDerWaalsContact O-N 3.11Å; E97-V100 HydrophobicContact CB-CG2 4.08Å; E97-V100 WeakPolarHBondContact O-CA 3.25Å; E97-V100 WeakPolarHBondContact O-CB 3.12Å; E97-V100 PolarHBondContact O-N 3.19Å; E97-Q101 PolarHBondContact O-N 3.33Å
98K85.3Confident87Confident158 Ų15850.3 Ų50.369%0.68730%0.304SS*.Hα-helixtrans-55.9-35.5-172.5-67.6-178.1179179.50113.8Q101 Q102K98-Q101 PolarHBondContact O-N 3.37Å; K98-Q102 PolarHBondContact O-N 3.21Å
99F86.9Confident87.2Confident81 Ų8144.9 Ų44.936%0.35528%0.275SS..Hα-helixtrans-72.6-31.4178.160.8-96.3000112.7C53 L57 E97 A103C53-F99 HydrophobicContact CB-CE2 4.06Å; C53-F99 HydrophobicContact CB-CZ 3.71Å; L57-F99 HydrophobicContact CB-CD2 4.3Å; L57-F99 HydrophobicContact CB-CE2 4.26Å; L57-F99 HydrophobicContact CD1-CD2 4.23Å; L57-F99 HydrophobicContact CD2-CD2 3.94Å; L57-F99 HydrophobicContact CD2-CE2 4.18Å; L57-F99 HydrophobicContact CG-CD2 4.38Å; E97-F99 HydrophobicContact CB-CD1 4.01Å; E97-F99 HydrophobicContact CB-CE1 3.56Å; E97-F99 HydrophobicContact CB-CE2 4.39Å; E97-F99 HydrophobicContact CB-CZ 3.78Å; E97-F99 HydrophobicContact CG-CE1 3.98Å; E97-F99 HydrophobicContact CG-CZ 4.1Å; E97-F99 PolarHBondContact O-N 3.02Å; E97-F99 VanDerWaalsContact O-N 3.11Å; F99-A103 WeakPolarHBondContact O-CB 3.26Å; F99-A103 PolarHBondContact O-N 3.29Å
100V88.6Confident87.3Confident0 Ų046.1 Ų46.10%028%0.28CS..Hα-helixtrans-69.3-44.2172.8-179.40000109.5C53 Q56 L57 L96 E97 Q102 A103 L104C53-V100 HydrophobicContact CB-CG2 4.02Å; C53-V100 VanDerWaalsContact O-CG2 3.3Å; C53-V100 WeakPolarHBondContact O-CG2 3.43Å; Q56-V100 HydrophobicContact CB-CG1 3.57Å; Q56-V100 HydrophobicContact CB-CG2 4.2Å; L57-V100 HydrophobicContact CB-CG2 4.43Å; L96-V100 HydrophobicContact CD2-CG1 4.26Å; E97-V100 HydrophobicContact CB-CG2 4.08Å; E97-V100 WeakPolarHBondContact O-CA 3.25Å; E97-V100 WeakPolarHBondContact O-CB 3.12Å; E97-V100 PolarHBondContact O-N 3.19Å; V100-Q102 PolarHBondContact O-N 2.96Å; V100-A103 PolarHBondContact O-N 3.36Å; V100-L104 HydrophobicContact CG1-CD1 4.18Å; V100-L104 PolarHBondContact O-N 2.95Å
101Q89.4Confident87.3Confident29 Ų2945.5 Ų45.514%0.13628%0.276CS..Hα-helixtrans-56.3-49.5174.2-176.2-178.810.700111.2L90 E97 K98 A103 L104 I105 T147L90-Q101 HydrophobicContact CD2-CG 4.05Å; E97-Q101 PolarHBondContact O-N 3.33Å; K98-Q101 PolarHBondContact O-N 3.37Å; Q101-A103 VanDerWaalsContact C-N 3.31Å; Q101-A103 PolarHBondContact O-N 3.2Å; Q101-L104 PolarHBondContact O-N 3.48Å; Q101-I105 HydrophobicContact CG-CD1 3.91Å; Q101-I105 VanDerWaalsContact O-CG1 3.25Å; Q101-I105 WeakPolarHBondContact O-CG1 3.27Å; Q101-I105 PolarHBondContact O-N 2.93Å; Q101-T147 PolarHBondContact NE2-OG1 3.25Å
102Q92.3Very high87.5Confident73 Ų7342.5 Ų42.534%0.34125%0.252SS..Hα-helixtrans-60.8-38.1177.3-177.561.920.500112.6K98 V100 I105 T106 N154K98-Q102 PolarHBondContact O-N 3.21Å; V100-Q102 PolarHBondContact O-N 2.96Å; Q102-I105 PolarHBondContact O-N 2.9Å; Q102-T106 WeakPolarHBondContact O-CB 3.23Å; Q102-T106 PolarHBondContact O-N 3.49Å; Q102-T106 PolarHBondContact O-OG1 3.47Å; Q102-N154 PolarHBondContact NE2-ND2 3.16Å; Q102-N154 PolarHBondContact NE2-OD1 3.42Å; Q102-N154 PolarHBondContact OE1-ND2 2.8Å
103A90.7Very high87.6Confident10 Ų1040 Ų408%0.08322%0.223CC..Hα-helixtrans-66.6-41.8176.800000112.5L57 T61 F99 V100 Q101 T106 L107L57-A103 HydrophobicContact CD1-CB 3.62Å; T61-A103 HydrophobicContact CG2-CB 4.28Å; F99-A103 WeakPolarHBondContact O-CB 3.26Å; F99-A103 PolarHBondContact O-N 3.29Å; V100-A103 PolarHBondContact O-N 3.36Å; Q101-A103 VanDerWaalsContact C-N 3.31Å; Q101-A103 PolarHBondContact O-N 3.2Å; A103-T106 PolarHBondContact O-N 2.89Å; A103-L107 PolarHBondContact O-N 3.32Å
104L92.7Very high87.6Confident0 Ų038.5 Ų38.50%022%0.218CC..Hα-helixtrans-65.5-41.1174.2-74.1168.9000111.9L47 S60 Y89 L90 L96 V100 Q101 T106 L107 I108L47-L104 HydrophobicContact CD1-CD2 4.28Å; L47-L104 HydrophobicContact CD2-CD2 4.35Å; S60-L104 WeakPolarHBondContact OG-CD2 3.46Å; S60-L104 WeakPolarHBondContact OG-CG 3.19Å; Y89-L104 HydrophobicContact CD1-CD1 3.71Å; Y89-L104 HydrophobicContact CE1-CD1 4.01Å; L90-L104 HydrophobicContact CD1-CB 4.17Å; L90-L104 HydrophobicContact CD2-CB 3.97Å; L90-L104 HydrophobicContact CD2-CD1 3.66Å; L90-L104 HydrophobicContact CD2-CG 4.49Å; L90-L104 HydrophobicContact CG-CB 4.13Å; L90-L104 HydrophobicContact CG-CD1 4.14Å; L96-L104 HydrophobicContact CD1-CD1 4.12Å; V100-L104 HydrophobicContact CG1-CD1 4.18Å; V100-L104 PolarHBondContact O-N 2.95Å; Q101-L104 PolarHBondContact O-N 3.48Å; L104-T106 VanDerWaalsContact C-N 3.32Å; L104-T106 PolarHBondContact O-N 2.94Å; L104-L107 WeakPolarHBondContact O-CB 3.44Å; L104-L107 PolarHBondContact O-N 2.91Å; L104-I108 WeakPolarHBondContact O-CD1 3.49Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.3Å; L104-I108 PolarHBondContact O-N 2.8Å
105I93.6Very high88.1Confident0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-63.3-42175.5-65.5169.7000110.4L90 Q101 Q102 L107 I108 C109 Q150 I151 N154L90-I105 HydrophobicContact CD1-CG1 3.96Å; Q101-I105 HydrophobicContact CG-CD1 3.91Å; Q101-I105 VanDerWaalsContact O-CG1 3.25Å; Q101-I105 WeakPolarHBondContact O-CG1 3.27Å; Q101-I105 PolarHBondContact O-N 2.93Å; Q102-I105 PolarHBondContact O-N 2.9Å; I105-L107 VanDerWaalsContact C-N 3.33Å; I105-L107 PolarHBondContact O-N 3.28Å; I105-I108 PolarHBondContact O-N 3.23Å; I105-C109 WeakPolarHBondContact O-CB 3.43Å; I105-C109 PolarHBondContact O-N 2.9Å; I105-C109 PolarHBondContact O-SG 2.8Å; I105-Q150 HydrophobicContact CD1-CB 3.74Å; I105-I151 HydrophobicContact CD1-CG1 4.29Å; I105-I151 HydrophobicContact CG1-CG1 3.91Å; I105-I151 HydrophobicContact CG2-CB 4.43Å; I105-I151 HydrophobicContact CG2-CG1 4.02Å; I105-N154 HydrophobicContact CG2-CB 3.78Å; I105-N154 WeakPolarHBondContact CG2-ND2 3.3Å
106T93Very high88.5Confident46 Ų4630.7 Ų30.728%0.28215%0.145SC..Hα-helixtrans-60.6-43.6175.8-55.30000111T64 Q102 A103 L104 I108 C109 R110T64-T106 HydrophobicContact CG2-CG2 4.42Å; Q102-T106 WeakPolarHBondContact O-CB 3.23Å; Q102-T106 PolarHBondContact O-N 3.49Å; Q102-T106 PolarHBondContact O-OG1 3.47Å; A103-T106 PolarHBondContact O-N 2.89Å; L104-T106 VanDerWaalsContact C-N 3.32Å; L104-T106 PolarHBondContact O-N 2.94Å; T106-I108 PolarHBondContact O-N 3.34Å; T106-C109 PolarHBondContact O-N 3.3Å; T106-R110 VanDerWaalsContact O-CB 3.27Å; T106-R110 WeakPolarHBondContact O-CB 3.45Å; T106-R110 PolarHBondContact O-N 3.29Å
107L91.7Very high88Confident1 Ų130.5 Ų30.51%0.00514%0.144CC..Hα-helixtrans-57.9-48.3174.1174.462.1000111.7L63 T64 I67 A86 A103 L104 I105 R110 L111L63-L107 HydrophobicContact CB-CD1 3.81Å; L63-L107 HydrophobicContact CB-CD2 3.91Å; L63-L107 HydrophobicContact CD1-CD2 3.84Å; T64-L107 WeakPolarHBondContact OG1-CA 3.32Å; T64-L107 WeakPolarHBondContact OG1-CB 3.45Å; I67-L107 HydrophobicContact CD1-CD1 3.64Å; A86-L107 HydrophobicContact CB-CD2 4.48Å; A103-L107 PolarHBondContact O-N 3.32Å; L104-L107 WeakPolarHBondContact O-CB 3.44Å; L104-L107 PolarHBondContact O-N 2.91Å; I105-L107 VanDerWaalsContact C-N 3.33Å; I105-L107 PolarHBondContact O-N 3.28Å; L107-R110 PolarHBondContact O-N 3.39Å; L107-L111 HydrophobicContact CD1-CD1 3.97Å; L107-L111 HydrophobicContact CD1-CG 4.21Å; L107-L111 HydrophobicContact CG-CD1 4.01Å; L107-L111 WeakPolarHBondContact O-CB 3.48Å; L107-L111 WeakPolarHBondContact O-CG 3.1Å; L107-L111 PolarHBondContact O-N 3.5Å
108I93.4Very high87.2Confident1 Ų128 Ų281%0.00513%0.134CC..Hα-helixtrans-60.9-47.5178.5-68.6160.3000110.6R83 A86 L87 L90 L104 I105 T106 R110 L111 T112 I129R83-I108 HydrophobicContact CG-CG2 4.34Å; A86-I108 HydrophobicContact CB-CD1 4.02Å; A86-I108 HydrophobicContact CB-CG1 3.74Å; L87-I108 HydrophobicContact CD2-CD1 3.89Å; L87-I108 HydrophobicContact CD2-CG2 4.21Å; L87-I108 HydrophobicContact CG-CD1 4.05Å; L87-I108 HydrophobicContact CG-CG1 4.42Å; L87-I108 HydrophobicContact CG-CG2 4.4Å; L90-I108 HydrophobicContact CD1-CD1 3.49Å; L90-I108 VanDerWaalsContact CD1-CD1 3.49Å; L104-I108 WeakPolarHBondContact O-CD1 3.49Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.3Å; L104-I108 PolarHBondContact O-N 2.8Å; I105-I108 PolarHBondContact O-N 3.23Å; T106-I108 PolarHBondContact O-N 3.34Å; I108-R110 PolarHBondContact O-N 2.7Å; I108-L111 PolarHBondContact O-N 3.1Å; I108-T112 WeakPolarHBondContact O-CB 3.15Å; I108-T112 PolarHBondContact O-N 3.34Å; I108-T112 PolarHBondContact O-OG1 2.97Å; I108-I129 HydrophobicContact CG2-CD1 3.91Å
109C93.2Very high85.9Confident2 Ų221.2 Ų21.21%0.01411%0.107CC..Hα-helixtrans-64.7-40.6-179.6-630000111.5I105 T106 T112 K113 L155 E158I105-C109 WeakPolarHBondContact O-CB 3.43Å; I105-C109 PolarHBondContact O-N 2.9Å; I105-C109 PolarHBondContact O-SG 2.8Å; T106-C109 PolarHBondContact O-N 3.3Å; C109-T112 PolarHBondContact O-N 3.13Å; C109-K113 WeakPolarHBondContact O-CB 3.38Å; C109-K113 PolarHBondContact O-N 2.74Å; C109-L155 HydrophobicContact CB-CD1 4.39Å; C109-L155 PolarHBondContact SG-N 3.36Å; C109-L155 VanDerWaalsContact SG-N 3.39Å; C109-E158 HydrophobicContact CB-CB 4.08Å; C109-E158 HydrophobicContact CB-CG 4.06Å
110R88.7Confident84.3Confident40 Ų4021.1 Ų21.115%0.15111%0.109CC..Hα-helixtrans-65.4-44.7176.2-1775960.2105.2-5.5111.7T64 I67 S68 T106 L107 I108 K113 L114 E158T64-R110 HydrophobicContact CG2-CB 4.23Å; T64-R110 HydrophobicContact CG2-CG 4.17Å; I67-R110 HydrophobicContact CD1-CB 4.15Å; I67-R110 HydrophobicContact CD1-CG 3.76Å; I67-R110 HydrophobicContact CG1-CG 4.22Å; S68-R110 PolarHBondContact OG-NH1 2.87Å; S68-R110 VanDerWaalsContact OG-NH1 3.1Å; T106-R110 VanDerWaalsContact O-CB 3.27Å; T106-R110 WeakPolarHBondContact O-CB 3.45Å; T106-R110 PolarHBondContact O-N 3.29Å; L107-R110 PolarHBondContact O-N 3.39Å; I108-R110 PolarHBondContact O-N 2.7Å; R110-K113 PolarHBondContact O-N 3.33Å; R110-L114 HydrophobicContact CG-CD1 4.05Å; R110-L114 WeakPolarHBondContact O-CB 3.31Å; R110-L114 VanDerWaalsContact O-CG 3.27Å; R110-L114 WeakPolarHBondContact O-CG 3.1Å; R110-L114 PolarHBondContact O-N 3.36Å; R110-E158 IonicContact CZ-OE1 3.13Å; R110-E158 IonicContact NE-OE1 3.72Å; R110-E158 PolarHBondContact NE-OE1 2.84Å; R110-E158 IonicContact NH2-OE1 3.06Å; R110-E158 PolarHBondContact NH2-OE1 3.49Å; R110-E158 IonicContact NH2-OE2 2.84Å
111L88.2Confident82.4Confident0 Ų028.8 Ų28.80%015%0.15CC..Hα-helixtrans-58.3-47.9173.4-80.2167.8000111.1I67 R79 I82 R83 L107 I108 K113 L114 G115 F126I67-L111 HydrophobicContact CB-CD2 4.39Å; I67-L111 HydrophobicContact CD1-CB 4.46Å; I67-L111 HydrophobicContact CD1-CD2 3.63Å; I67-L111 HydrophobicContact CD1-CG 3.54Å; I67-L111 HydrophobicContact CG2-CD2 3.98Å; R79-L111 HydrophobicContact CB-CD2 4.17Å; R79-L111 HydrophobicContact CG-CD2 4.37Å; I82-L111 HydrophobicContact CB-CD1 4.24Å; I82-L111 HydrophobicContact CG2-CD1 3.8Å; R83-L111 HydrophobicContact CB-CB 4.43Å; R83-L111 HydrophobicContact CB-CD1 3.97Å; L107-L111 HydrophobicContact CD1-CD1 3.97Å; L107-L111 HydrophobicContact CD1-CG 4.21Å; L107-L111 HydrophobicContact CG-CD1 4.01Å; L107-L111 WeakPolarHBondContact O-CB 3.48Å; L107-L111 WeakPolarHBondContact O-CG 3.1Å; L107-L111 PolarHBondContact O-N 3.5Å; I108-L111 PolarHBondContact O-N 3.1Å; L111-K113 PolarHBondContact O-N 3.11Å; L111-L114 PolarHBondContact O-N 2.76Å; L111-G115 PolarHBondContact O-N 2.8Å; L111-F126 HydrophobicContact CB-CE1 4.29Å
112T89.2Confident80.7Confident0 Ų030 Ų300%017%0.171CC..Hα-helixtrans-62.3-41.2178.4-61.90000112I108 C109 W116 F126 I129 L155 M159I108-T112 WeakPolarHBondContact O-CB 3.15Å; I108-T112 PolarHBondContact O-N 3.34Å; I108-T112 PolarHBondContact O-OG1 2.97Å; C109-T112 PolarHBondContact O-N 3.13Å; T112-W116 HydrophobicContact CG2-CE3 3.79Å; T112-W116 HydrophobicContact CG2-CZ3 3.99Å; T112-W116 VanDerWaalsContact O-CA 3.26Å; T112-W116 WeakPolarHBondContact O-CA 3.49Å; T112-W116 VanDerWaalsContact O-CB 3.29Å; T112-W116 WeakPolarHBondContact O-CB 3.12Å; T112-W116 PolarHBondContact O-N 3.36Å; T112-F126 HydrophobicContact CG2-CB 4.49Å; T112-I129 HydrophobicContact CG2-CB 4.26Å; T112-I129 HydrophobicContact CG2-CG1 4.43Å; T112-I129 HydrophobicContact CG2-CG2 4.1Å; T112-L155 HydrophobicContact CG2-CD1 3.71Å; T112-M159 HydrophobicContact CG2-CE 4.12Å
113K85.7Confident79.2Confident6 Ų629 Ų293%0.02617%0.172CC..Hα-helixtrans-65.3-39.9174.7177.2175.8-179.4177.80112.9C109 R110 L111 E158 M159 H161 R177C109-K113 WeakPolarHBondContact O-CB 3.38Å; C109-K113 PolarHBondContact O-N 2.74Å; R110-K113 PolarHBondContact O-N 3.33Å; L111-K113 PolarHBondContact O-N 3.11Å; K113-E158 HydrophobicContact CB-CG 4.3Å; K113-E158 HydrophobicContact CD-CG 3.83Å; K113-E158 VanDerWaalsContact CD-O 3.31Å; K113-E158 WeakPolarHBondContact CD-O 3.42Å; K113-E158 WeakPolarHBondContact CE-O 3.24Å; K113-E158 PolarHBondContact NZ-O 3.37Å; K113-E158 IonicContact NZ-OE1 2.84Å; K113-M159 HydrophobicContact CB-CE 4.03Å; K113-M159 HydrophobicContact CB-SD 3.99Å; K113-M159 HydrophobicContact CG-SD 3.99Å; K113-H161 PolarHBondContact NZ-O 2.94Å; K113-R177 WeakPolarHBondContact O-CD 3.41Å; K113-R177 PolarHBondContact O-NH1 3.36Å; K113-R177 VanDerWaalsContact O-NH1 3.09Å
114L81Confident77.9Confident59 Ų5930.7 Ų30.731%0.30918%0.182SC..Hα-helixtrans-75-34.9179.7-68.5174.3000112.1I67 R110 L111I67-L114 HydrophobicContact CB-CD1 4.41Å; I67-L114 HydrophobicContact CD1-CD1 4.39Å; I67-L114 HydrophobicContact CG1-CD1 4.2Å; I67-L114 WeakPolarHBondContact O-CD1 3.46Å; R110-L114 HydrophobicContact CG-CD1 4.05Å; R110-L114 WeakPolarHBondContact O-CB 3.31Å; R110-L114 VanDerWaalsContact O-CG 3.27Å; R110-L114 WeakPolarHBondContact O-CG 3.1Å; R110-L114 PolarHBondContact O-N 3.36Å; L111-L114 PolarHBondContact O-N 2.76Å
115G79.7Confident77.1Confident0 Ų031 Ų310%019%0.185CC..Hα-helixtrans-90.91.4177.700000114.9L111 L117 D118 F126L111-G115 PolarHBondContact O-N 2.8Å; G115-L117 PolarHBondContact O-N 3.23Å; G115-L117 VanDerWaalsContact O-N 3.12Å; G115-D118 WeakPolarHBondContact CA-OD2 3.23Å; G115-D118 WeakPolarHBondContact O-CB 3.17Å; G115-D118 PolarHBondContact O-N 2.75Å; G115-F126 WeakPolarHBondContact O-CD2 3.35Å
116W84.1Confident76.6Confident6 Ų631.1 Ų31.12%0.02319%0.186CC..THydrogen-bonded Turntrans-55.8-35.9-170.1-173.2-97.1000114.2T112 C127 I129 M159 R177 S180 F181 L185T112-W116 HydrophobicContact CG2-CE3 3.79Å; T112-W116 HydrophobicContact CG2-CZ3 3.99Å; T112-W116 VanDerWaalsContact O-CA 3.26Å; T112-W116 WeakPolarHBondContact O-CA 3.49Å; T112-W116 VanDerWaalsContact O-CB 3.29Å; T112-W116 WeakPolarHBondContact O-CB 3.12Å; T112-W116 PolarHBondContact O-N 3.36Å; W116-C127 HydrophobicContact CH2-CB 4.29Å; W116-I129 HydrophobicContact CZ3-CG2 4.31Å; W116-M159 HydrophobicContact CB-CE 4.17Å; W116-M159 HydrophobicContact CD2-CE 3.61Å; W116-M159 HydrophobicContact CE3-CE 3.28Å; W116-M159 HydrophobicContact CG-CE 3.99Å; W116-M159 HydrophobicContact CZ3-CE 4.01Å; W116-R177 HydrophobicContact CB-CG 4.05Å; W116-R177 HydrophobicContact CG-CG 4.35Å; W116-S180 PolarHBondContact NE1-OG 3.45Å; W116-S180 VanDerWaalsContact NE1-OG 3.07Å; W116-F181 AromaticContact CH2-CD2 3.64Å; W116-F181 HydrophobicContact CH2-CD2 3.64Å; W116-F181 HydrophobicContact CH2-CE2 4.39Å; W116-F181 HydrophobicContact CZ2-CB 3.91Å; W116-F181 AromaticContact CZ2-CD2 3.81Å; W116-F181 HydrophobicContact CZ2-CD2 3.81Å; W116-F181 HydrophobicContact CZ2-CG 4.37Å; W116-F181 HydrophobicContact CZ3-CD2 4Å; W116-L185 HydrophobicContact CH2-CB 4.48Å; W116-L185 HydrophobicContact CH2-CD1 3.39Å; W116-L185 HydrophobicContact CH2-CG 3.76Å; W116-L185 HydrophobicContact CZ2-CD1 4.47Å; W116-L185 HydrophobicContact CZ2-CG 4.44Å; W116-L185 HydrophobicContact CZ3-CD1 3.96Å
117L73.5Confident76.1Confident22 Ų2229.5 Ų29.512%0.11518%0.176CC..THydrogen-bonded Turntrans-96.70179.7-63176000113G115 S119 L173 K176 R177 Y1329G115-L117 PolarHBondContact O-N 3.23Å; G115-L117 VanDerWaalsContact O-N 3.12Å; L117-S119 PolarHBondContact O-N 3.43Å; L117-L173 HydrophobicContact CD1-CD2 4.18Å; L117-K176 HydrophobicContact CD1-CD 4.27Å; L117-K176 HydrophobicContact CD1-CG 4.29Å; L117-R177 HydrophobicContact CD1-CG 3.78Å; L117-R177 HydrophobicContact CD2-CG 4.5Å; L117-R177 HydrophobicContact CG-CG 3.78Å; L117-Y1329 HydrophobicContact CD2-CD2 4.12Å
118D69.8Low75.9Confident53 Ų5331.1 Ų31.128%0.28319%0.185SC..  trans-86.1102.6179.7-59.3-22.9000108.5H76 R79 G115H76-D118 WeakPolarHBondContact CD2-CB 3.22Å; H76-D118 IonicContact CD2-OD2 3.08Å; H76-D118 PolarHBondContact NE2-O 3.49Å; R79-D118 IonicContact CZ-OD2 2.71Å; R79-D118 IonicContact NH1-OD2 3.71Å; R79-D118 PolarHBondContact NH1-OD2 2.87Å; R79-D118 IonicContact NH2-OD2 2.76Å; R79-D118 PolarHBondContact NH2-OD2 3.37Å; G115-D118 WeakPolarHBondContact CA-OD2 3.23Å; G115-D118 WeakPolarHBondContact O-CB 3.17Å; G115-D118 PolarHBondContact O-N 2.75Å
119S58Low75.7Confident16 Ų1631.1 Ų31.111%0.11219%0.185CC..  trans-118.5132.8171.360.90000109.7L117 E1327 T1328L117-S119 PolarHBondContact O-N 3.43Å; S119-E1327 PolarHBondContact OG-O 3.08Å; S119-T1328 WeakPolarHBondContact O-CG2 3.41Å; S119-T1328 VanDerWaalsContact OG-CA 3.29Å; S119-T1328 WeakPolarHBondContact OG-CA 3.27Å; S119-T1328 PolarHBondContact OG-OG1 3.39Å
120I53.1Low75.5Confident80 Ų8032 Ų3241%0.4119%0.19SC..  trans-123.3128.9175.7-57.3-173.9000107.3H76 G122 S123H76-I120 HydrophobicContact CB-CD1 3.94Å; H76-I120 WeakPolarHBondContact ND1-CD1 3.43Å; I120-G122 VanDerWaalsContact C-N 3.31Å; I120-G122 PolarHBondContact O-N 3.22Å; I120-S123 PolarHBondContact O-N 3.47Å; I120-S123 PolarHBondContact O-OG 3.29Å
121D50.7Low75.5Confident160 Ų16034.5 Ų34.586%0.85621%0.206SC*.THydrogen-bonded Turntrans56.134172.2-54.1-29.9000115.8S123D121-S123 PolarHBondContact O-N 2.68Å; D121-S123 VanDerWaalsContact O-N 3.1Å
122G52.2Low75.5Confident55 Ų5535.4 Ų35.457%0.56721%0.212SC*.THydrogen-bonded Turntrans69.64.4178.600000114.9I120I120-G122 VanDerWaalsContact C-N 3.31Å; I120-G122 PolarHBondContact O-N 3.22Å
123S61.4Low75.5Confident52 Ų5235.4 Ų35.436%0.36421%0.212SC..  trans-70146.3171.267.90000110.5I120 D121 G125I120-S123 PolarHBondContact O-N 3.47Å; I120-S123 PolarHBondContact O-OG 3.29Å; D121-S123 PolarHBondContact O-N 2.68Å; D121-S123 VanDerWaalsContact O-N 3.1Å; S123-G125 PolarHBondContact O-N 3.19Å
124P63.1Low75.6Confident46 Ų4636.4 Ų36.430%0.29922%0.219SC..  trans-62.1-13.3-178.325.2-34.9000113.6F126 C127 D128 Y1326P124-F126 PolarHBondContact O-N 2.93Å; P124-C127 VanDerWaalsContact O-CB 3.26Å; P124-C127 WeakPolarHBondContact O-CB 3.41Å; P124-C127 PolarHBondContact O-N 2.97Å; P124-D128 HydrophobicContact CB-CB 4.04Å; P124-D128 HydrophobicContact CG-CB 4.05Å; P124-Y1326 HydrophobicContact CB-CD2 4.22Å; P124-Y1326 HydrophobicContact CB-CE1 4.08Å; P124-Y1326 HydrophobicContact CB-CE2 3.63Å
125G75.3Confident76Confident7 Ų740.3 Ų40.37%0.07223%0.234CC..G310 helixtrans54.8-120.1174.900000111.6R83 S123 C127R83-G125 PolarHBondContact NH1-O 3.31Å; S123-G125 PolarHBondContact O-N 3.19Å; G125-C127 VanDerWaalsContact C-N 3.34Å
126F83.2Confident76.3Confident1 Ų141.5 Ų41.50%0.00424%0.239CC..G310 helixtrans-80.5-11.3178.1-72.3-90.6000114.8H76 R79 L80 R83 L111 T112 G115 P124H76-F126 AromaticContact CD2-CE2 3.65Å; H76-F126 AromaticContact NE2-CD2 3.85Å; H76-F126 AromaticContact NE2-CE2 3.53Å; R79-F126 HydrophobicContact CB-CZ 3.83Å; L80-F126 HydrophobicContact CB-CZ 4.25Å; L80-F126 HydrophobicContact CD1-CE2 4.43Å; L80-F126 HydrophobicContact CD2-CD1 3.81Å; L80-F126 HydrophobicContact CD2-CD2 3.6Å; L80-F126 HydrophobicContact CD2-CE1 3.63Å; L80-F126 HydrophobicContact CD2-CE2 3.43Å; L80-F126 VanDerWaalsContact CD2-CE2 3.43Å; L80-F126 HydrophobicContact CD2-CG 3.8Å; L80-F126 HydrophobicContact CD2-CZ 3.44Å; L80-F126 VanDerWaalsContact CD2-CZ 3.44Å; L80-F126 HydrophobicContact CG-CD2 4.11Å; L80-F126 HydrophobicContact CG-CE1 4.23Å; L80-F126 HydrophobicContact CG-CE2 3.49Å; L80-F126 VanDerWaalsContact CG-CE2 3.49Å; L80-F126 HydrophobicContact CG-CZ 3.56Å; R83-F126 HydrophobicContact CB-CE1 4.21Å; R83-F126 VanDerWaalsContact NH1-CA 3.3Å; R83-F126 PolarHBondContact NH1-O 3.41Å; L111-F126 HydrophobicContact CB-CE1 4.29Å; T112-F126 HydrophobicContact CG2-CB 4.49Å; G115-F126 WeakPolarHBondContact O-CD2 3.35Å; P124-F126 PolarHBondContact O-N 2.93Å
127C83.6Confident76.3Confident13 Ų1342.2 Ų42.29%0.08824%0.243CC..G310 helixtrans-83.1-10.3-172.7-60.40000114W116 P124 G125 I129 Y1326W116-C127 HydrophobicContact CH2-CB 4.29Å; P124-C127 VanDerWaalsContact O-CB 3.26Å; P124-C127 WeakPolarHBondContact O-CB 3.41Å; P124-C127 PolarHBondContact O-N 2.97Å; G125-C127 VanDerWaalsContact C-N 3.34Å; C127-I129 PolarHBondContact O-N 3.41Å; C127-Y1326 HydrophobicContact CB-CD1 4.14Å; C127-Y1326 HydrophobicContact CB-CE1 3.67Å
128D86.7Confident76.8Confident35 Ų3548.6 Ų48.619%0.18727%0.273CS..G310 helixtrans-73.23.3173.367.7-17.2000113.5R83 P124 L130 D131 C132R83-D128 IonicContact CZ-OD1 3.54Å; R83-D128 VanDerWaalsContact CZ-OD1 3.31Å; R83-D128 IonicContact NH1-OD1 3.17Å; R83-D128 PolarHBondContact NH1-OD1 3.44Å; R83-D128 IonicContact NH2-OD1 2.73Å; R83-D128 PolarHBondContact NH2-OD1 2.97Å; R83-D128 VanDerWaalsContact NH2-OD1 3.13Å; R83-D128 IonicContact NH2-OD2 3.44Å; R83-D128 PolarHBondContact NH2-OD2 3.01Å; P124-D128 HydrophobicContact CB-CB 4.04Å; P124-D128 HydrophobicContact CG-CB 4.05Å; D128-L130 PolarHBondContact O-N 3Å; D128-L130 VanDerWaalsContact O-N 3.14Å; D128-D131 WeakPolarHBondContact O-CA 3.31Å; D128-D131 WeakPolarHBondContact O-CB 3.22Å; D128-D131 PolarHBondContact O-N 3.1Å; D128-C132 PolarHBondContact O-N 3.41Å
129I89.4Confident77.3Confident1 Ų149.7 Ų49.71%0.00528%0.284CS..Hα-helixtrans-57.1-31.5-177-168.758.9000113.2L87 I108 T112 W116 C127 C132 A133 I151 L155 L185L87-I129 HydrophobicContact CD1-CD1 4.38Å; L87-I129 HydrophobicContact CD2-CD1 4.43Å; I108-I129 HydrophobicContact CG2-CD1 3.91Å; T112-I129 HydrophobicContact CG2-CB 4.26Å; T112-I129 HydrophobicContact CG2-CG1 4.43Å; T112-I129 HydrophobicContact CG2-CG2 4.1Å; W116-I129 HydrophobicContact CZ3-CG2 4.31Å; C127-I129 PolarHBondContact O-N 3.41Å; I129-C132 PolarHBondContact O-N 2.93Å; I129-A133 WeakPolarHBondContact O-CB 2.97Å; I129-A133 PolarHBondContact O-N 3.16Å; I129-I151 HydrophobicContact CD1-CG2 4.18Å; I129-I151 HydrophobicContact CG1-CG2 4.38Å; I129-L155 HydrophobicContact CB-CD2 4.44Å; I129-L155 HydrophobicContact CG1-CD2 4.02Å; I129-L155 HydrophobicContact CG2-CD2 3.55Å; I129-L185 HydrophobicContact CG2-CD1 3.76Å
130L88.5Confident78.2Confident21 Ų2151.7 Ų51.711%0.1131%0.307CS..Hα-helixtrans-68.3-40.7174.4179.359.9000111.7D128 C132 A133 S134 L152 L185 P188 I189 L192D128-L130 PolarHBondContact O-N 3Å; D128-L130 VanDerWaalsContact O-N 3.14Å; L130-C132 VanDerWaalsContact C-N 3.35Å; L130-A133 PolarHBondContact O-N 3.49Å; L130-S134 VanDerWaalsContact O-CB 3.29Å; L130-S134 WeakPolarHBondContact O-CB 3.34Å; L130-S134 PolarHBondContact O-N 3.38Å; L130-S134 PolarHBondContact O-OG 2.91Å; L130-L152 HydrophobicContact CD1-CD1 4.13Å; L130-L152 HydrophobicContact CD1-CD2 4.05Å; L130-L185 HydrophobicContact CB-CD1 4.11Å; L130-L185 HydrophobicContact CB-CD2 4.1Å; L130-L185 HydrophobicContact CD2-CD2 4.02Å; L130-P188 HydrophobicContact CD2-CB 3.53Å; L130-P188 HydrophobicContact CD2-CG 4.45Å; L130-I189 HydrophobicContact CD1-CG1 3.85Å; L130-L192 HydrophobicContact CD1-CD2 4.25Å
131D88.8Confident79.5Confident91 Ų9153.4 Ų53.449%0.48731%0.313SS..Hα-helixtrans-66.2-40.8175.6-58.6-35.7000110.4D128 S134 K135D128-D131 WeakPolarHBondContact O-CA 3.31Å; D128-D131 WeakPolarHBondContact O-CB 3.22Å; D128-D131 PolarHBondContact O-N 3.1Å; D131-S134 PolarHBondContact O-N 3.29Å; D131-K135 WeakPolarHBondContact O-CG 3.28Å; D131-K135 PolarHBondContact O-N 2.86Å; D131-K135 VanDerWaalsContact O-N 3.07Å
132C88.3Confident81Confident19 Ų1948 Ų4813%0.12829%0.286CS..Hα-helixtrans-59.2-50.7173.2-68.30000111.6L87 D128 I129 L130 S134 K135 F136L87-C132 HydrophobicContact CD1-CB 4.27Å; D128-C132 PolarHBondContact O-N 3.41Å; I129-C132 PolarHBondContact O-N 2.93Å; L130-C132 VanDerWaalsContact C-N 3.35Å; C132-S134 VanDerWaalsContact C-N 3.31Å; C132-S134 PolarHBondContact O-N 3.08Å; C132-K135 WeakPolarHBondContact O-CB 3.26Å; C132-K135 PolarHBondContact O-N 3.35Å; C132-F136 VanDerWaalsContact O-CD2 3.27Å; C132-F136 WeakPolarHBondContact O-CD2 3.35Å
133A88.8Confident82.5Confident1 Ų147.2 Ų47.21%0.00827%0.272CS..Hα-helixtrans-63.8-35.3177.400000112.3I129 L130 K135 F136 I137 L152I129-A133 WeakPolarHBondContact O-CB 2.97Å; I129-A133 PolarHBondContact O-N 3.16Å; L130-A133 PolarHBondContact O-N 3.49Å; A133-K135 VanDerWaalsContact C-N 3.34Å; A133-K135 PolarHBondContact O-N 2.87Å; A133-F136 WeakPolarHBondContact O-CB 3.43Å; A133-F136 PolarHBondContact O-N 3.42Å; A133-I137 WeakPolarHBondContact O-CG1 3.19Å; A133-I137 PolarHBondContact O-N 2.87Å; A133-L152 HydrophobicContact CB-CD1 4.18Å; A133-L152 HydrophobicContact CB-CD2 3.71Å; A133-L152 HydrophobicContact CB-CG 3.8Å
134S88.5Confident83.6Confident26 Ų2645.4 Ų45.418%0.18226%0.26CS..Hα-helixtrans-65.5-36.7177.8-59.80000111.7L130 D131 C132 F136 I137 E138L130-S134 VanDerWaalsContact O-CB 3.29Å; L130-S134 WeakPolarHBondContact O-CB 3.34Å; L130-S134 PolarHBondContact O-N 3.38Å; L130-S134 PolarHBondContact O-OG 2.91Å; D131-S134 PolarHBondContact O-N 3.29Å; C132-S134 VanDerWaalsContact C-N 3.31Å; C132-S134 PolarHBondContact O-N 3.08Å; S134-F136 VanDerWaalsContact C-N 3.3Å; S134-F136 PolarHBondContact O-N 3.47Å; S134-I137 CarbonylContact O-C 3.54Å; S134-I137 WeakPolarHBondContact O-CA 3.5Å; S134-I137 WeakPolarHBondContact O-CB 3.22Å; S134-I137 PolarHBondContact O-N 3.48Å; S134-E138 WeakPolarHBondContact O-CG 3.38Å; S134-E138 PolarHBondContact O-N 3.21Å
135K88.4Confident84.7Confident142 Ų14244.4 Ų44.462%0.61725%0.252SS*.Hα-helixtrans-60.2-36.8172.7-70167.9-174.9171.20113D131 C132 A133 I137 C139D131-K135 WeakPolarHBondContact O-CG 3.28Å; D131-K135 PolarHBondContact O-N 2.86Å; D131-K135 VanDerWaalsContact O-N 3.07Å; C132-K135 WeakPolarHBondContact O-CB 3.26Å; C132-K135 PolarHBondContact O-N 3.35Å; A133-K135 VanDerWaalsContact C-N 3.34Å; A133-K135 PolarHBondContact O-N 2.87Å; K135-I137 VanDerWaalsContact C-N 3.3Å; K135-C139 PolarHBondContact O-N 3.44Å
136F86Confident85.4Confident24 Ų2445.1 Ų45.111%0.10525%0.254CS..Hα-helixtrans-64.2-38172.8-78-87000111.6L87 A91 C132 A133 S134 C139 A144 T147 I151L87-F136 HydrophobicContact CD2-CE2 4.18Å; A91-F136 HydrophobicContact CB-CE1 3.73Å; A91-F136 HydrophobicContact CB-CZ 3.73Å; C132-F136 VanDerWaalsContact O-CD2 3.27Å; C132-F136 WeakPolarHBondContact O-CD2 3.35Å; A133-F136 WeakPolarHBondContact O-CB 3.43Å; A133-F136 PolarHBondContact O-N 3.42Å; S134-F136 VanDerWaalsContact C-N 3.3Å; S134-F136 PolarHBondContact O-N 3.47Å; F136-C139 WeakPolarHBondContact O-CB 3.46Å; F136-A144 CarbonylContact O-C 3.58Å; F136-T147 HydrophobicContact CD1-CG2 4.48Å; F136-T147 HydrophobicContact CE1-CG2 4.4Å; F136-I151 HydrophobicContact CE2-CD1 4.35Å
137I84.6Confident85.6Confident22 Ų2245.8 Ų45.811%0.11326%0.258CS..Hα-helixtrans-73.3-40.6-179.3-65.2166000111.3A133 S134 K135 C139 G140 I145 V149 L192 L196A133-I137 WeakPolarHBondContact O-CG1 3.19Å; A133-I137 PolarHBondContact O-N 2.87Å; S134-I137 CarbonylContact O-C 3.54Å; S134-I137 WeakPolarHBondContact O-CA 3.5Å; S134-I137 WeakPolarHBondContact O-CB 3.22Å; S134-I137 PolarHBondContact O-N 3.48Å; K135-I137 VanDerWaalsContact C-N 3.3Å; I137-C139 PolarHBondContact O-N 3.34Å; I137-G140 PolarHBondContact O-N 3.46Å; I137-I145 HydrophobicContact CG1-CG2 4.31Å; I137-I145 HydrophobicContact CG2-CG2 4.32Å; I137-I145 WeakPolarHBondContact O-CG1 3.23Å; I137-V149 HydrophobicContact CD1-CG2 4.39Å; I137-L192 HydrophobicContact CD1-CD2 3.69Å; I137-L192 HydrophobicContact CD1-CG 4.37Å; I137-L196 HydrophobicContact CG2-CD2 4.44Å
138E85.4Confident85.9Confident156 Ų15645.2 Ų45.273%0.72925%0.254SS*.Hα-helixtrans-69.7-18.6178.8-71.8174.2-174.700113.6S134 G140S134-E138 WeakPolarHBondContact O-CG 3.38Å; S134-E138 PolarHBondContact O-N 3.21Å; E138-G140 PolarHBondContact O-N 3.48Å; E138-G140 VanDerWaalsContact O-N 3.12Å
139C80.1Confident86.2Confident76 Ų7643.5 Ų43.551%0.51425%0.245SC..THydrogen-bonded Turntrans-63-16.5177.5-168.90000113.4K135 F136 I137 Q141 A144K135-C139 PolarHBondContact O-N 3.44Å; F136-C139 WeakPolarHBondContact O-CB 3.46Å; I137-C139 PolarHBondContact O-N 3.34Å; C139-Q141 PolarHBondContact O-N 3.29Å; C139-A144 HydrophobicContact CB-CB 4.34Å
140G75.6Confident86.3Confident58 Ų5844.8 Ų44.860%0.59825%0.251SS*.  trans74.3-9.9174.300000115.9I137 E138I137-G140 PolarHBondContact O-N 3.46Å; E138-G140 PolarHBondContact O-N 3.48Å; E138-G140 VanDerWaalsContact O-N 3.12Å
141Q81.9Confident86.5Confident115 Ų11543.9 Ų43.954%0.53725%0.246SC..  trans-78128.1173.7-65.8-178.7-11.700110.4C139 S143 A144 I145C139-Q141 PolarHBondContact O-N 3.29Å; Q141-S143 VanDerWaalsContact C-N 3.31Å; Q141-S143 PolarHBondContact O-N 3.35Å; Q141-A144 HydrophobicContact CB-CB 4.03Å; Q141-A144 WeakPolarHBondContact O-CB 3.32Å; Q141-A144 PolarHBondContact O-N 3.05Å; Q141-I145 WeakPolarHBondContact O-CG1 3.2Å; Q141-I145 PolarHBondContact O-N 3.14Å
142T82Confident86.8Confident47 Ų4739.5 Ų39.529%0.28822%0.223SC..Hα-helixtrans-56.6-40.8-175.9-51.30000113.2I145 L146 E213 Q214 L217T142-I145 PolarHBondContact O-N 3.33Å; T142-L146 WeakPolarHBondContact O-CB 3.4Å; T142-L146 PolarHBondContact O-N 3.19Å; T142-E213 HydrophobicContact CG2-CB 4.01Å; T142-Q214 HydrophobicContact CG2-CG 4.34Å; T142-L217 HydrophobicContact CG2-CD2 4.34Å
143S82.5Confident87.1Confident39 Ų3939 Ų3927%0.27322%0.218SC..Hα-helixtrans-66-38.1176.657.30000113.3Q141 T147Q141-S143 VanDerWaalsContact C-N 3.31Å; Q141-S143 PolarHBondContact O-N 3.35Å; S143-T147 PolarHBondContact O-N 2.54Å; S143-T147 PolarHBondContact O-OG1 3.45Å
144A85.5Confident87.3Confident13 Ų1340.3 Ų40.311%0.10723%0.225CC..Hα-helixtrans-67.9-44.8175.300000111.1F136 C139 Q141 L146 T147 G148F136-A144 CarbonylContact O-C 3.58Å; C139-A144 HydrophobicContact CB-CB 4.34Å; Q141-A144 HydrophobicContact CB-CB 4.03Å; Q141-A144 WeakPolarHBondContact O-CB 3.32Å; Q141-A144 PolarHBondContact O-N 3.05Å; A144-L146 VanDerWaalsContact C-N 3.34Å; A144-L146 PolarHBondContact O-N 3.38Å; A144-T147 WeakPolarHBondContact O-CB 3.5Å; A144-T147 PolarHBondContact O-N 3.34Å; A144-T147 VanDerWaalsContact O-N 3.16Å; A144-G148 PolarHBondContact O-N 3.45Å
145I86.8Confident87.6Confident25 Ų2539.1 Ų39.113%0.12822%0.217CC..Hα-helixtrans-58.2-47.9175-61164.8000110I137 Q141 T142 T147 G148 V149 L217I137-I145 HydrophobicContact CG1-CG2 4.31Å; I137-I145 HydrophobicContact CG2-CG2 4.32Å; I137-I145 WeakPolarHBondContact O-CG1 3.23Å; Q141-I145 WeakPolarHBondContact O-CG1 3.2Å; Q141-I145 PolarHBondContact O-N 3.14Å; T142-I145 PolarHBondContact O-N 3.33Å; I145-T147 VanDerWaalsContact C-N 3.29Å; I145-T147 PolarHBondContact O-N 3.39Å; I145-G148 PolarHBondContact O-N 2.8Å; I145-G148 VanDerWaalsContact O-N 3.15Å; I145-V149 HydrophobicContact CG2-CG2 4.43Å; I145-V149 WeakPolarHBondContact O-CG2 3.44Å; I145-V149 PolarHBondContact O-N 3.49Å; I145-L217 HydrophobicContact CB-CD1 4.4Å; I145-L217 HydrophobicContact CG2-CD1 3.56Å; I145-L217 HydrophobicContact CG2-CD2 4.07Å; I145-L217 HydrophobicContact CG2-CG 4.49Å
146L88.2Confident87.8Confident23 Ų2332.4 Ų32.412%0.1219%0.188CC..Hα-helixtrans-55.7-44.8176.6173.859.9000111.7T142 A144 V149 Q150 G216 Q220T142-L146 WeakPolarHBondContact O-CB 3.4Å; T142-L146 PolarHBondContact O-N 3.19Å; A144-L146 VanDerWaalsContact C-N 3.34Å; A144-L146 PolarHBondContact O-N 3.38Å; L146-V149 PolarHBondContact O-N 2.93Å; L146-Q150 HydrophobicContact CD1-CG 4.19Å; L146-Q150 WeakPolarHBondContact O-CB 3.28Å; L146-Q150 VanDerWaalsContact O-CG 3.29Å; L146-Q150 WeakPolarHBondContact O-CG 3.19Å; L146-Q150 PolarHBondContact O-N 3.33Å; L146-G216 WeakPolarHBondContact CD1-O 3.31Å; L146-Q220 HydrophobicContact CD1-CB 4.11Å; L146-Q220 HydrophobicContact CD1-CG 3.73Å
147T87.7Confident88Confident15 Ų1532.9 Ų32.99%0.09219%0.194CC..Hα-helixtrans-61.2-45.8176.9-54.10000111.4Q101 F136 S143 A144 I145 V149 Q150 I151Q101-T147 PolarHBondContact NE2-OG1 3.25Å; F136-T147 HydrophobicContact CD1-CG2 4.48Å; F136-T147 HydrophobicContact CE1-CG2 4.4Å; S143-T147 PolarHBondContact O-N 2.54Å; S143-T147 PolarHBondContact O-OG1 3.45Å; A144-T147 WeakPolarHBondContact O-CB 3.5Å; A144-T147 PolarHBondContact O-N 3.34Å; A144-T147 VanDerWaalsContact O-N 3.16Å; I145-T147 VanDerWaalsContact C-N 3.29Å; I145-T147 PolarHBondContact O-N 3.39Å; T147-V149 PolarHBondContact O-N 3.03Å; T147-Q150 PolarHBondContact O-N 3.09Å; T147-I151 HydrophobicContact CG2-CD1 4.22Å; T147-I151 WeakPolarHBondContact O-CG1 3.11Å; T147-I151 PolarHBondContact O-N 2.64Å
148G91.2Very high88.2Confident0 Ų033.2 Ų33.20%020%0.195CC..Hα-helixtrans-59.2-44.4176.900000112.6A144 I145 I151 L152A144-G148 PolarHBondContact O-N 3.45Å; I145-G148 PolarHBondContact O-N 2.8Å; I145-G148 VanDerWaalsContact O-N 3.15Å; G148-I151 PolarHBondContact O-N 2.97Å; G148-L152 WeakPolarHBondContact O-CG 3.24Å; G148-L152 PolarHBondContact O-N 2.84Å
149V91.9Very high88.2Confident0 Ų025.8 Ų25.80%016%0.161CC..Hα-helixtrans-67.1-39.9177.2179.90000111.7I137 I145 L146 T147 I151 L152 N153 L196 L217 Q220 L224I137-V149 HydrophobicContact CD1-CG2 4.39Å; I145-V149 HydrophobicContact CG2-CG2 4.43Å; I145-V149 WeakPolarHBondContact O-CG2 3.44Å; I145-V149 PolarHBondContact O-N 3.49Å; L146-V149 PolarHBondContact O-N 2.93Å; T147-V149 PolarHBondContact O-N 3.03Å; V149-I151 VanDerWaalsContact C-N 3.35Å; V149-I151 PolarHBondContact O-N 2.66Å; V149-L152 PolarHBondContact O-N 3.37Å; V149-N153 WeakPolarHBondContact O-CB 3.43Å; V149-N153 PolarHBondContact O-N 2.89Å; V149-L196 HydrophobicContact CG2-CD1 3.6Å; V149-L217 HydrophobicContact CG2-CD1 3.99Å; V149-Q220 HydrophobicContact CB-CB 4.47Å; V149-Q220 HydrophobicContact CG1-CB 3.78Å; V149-L224 HydrophobicContact CG1-CB 4.46Å; V149-L224 HydrophobicContact CG1-CD2 4.03Å
150Q91.7Very high88.4Confident28 Ų2824.1 Ų24.113%0.13115%0.147CC..Hα-helixtrans-62.3-40.1175.5-76.4176.3-15.100112.3I105 L146 T147 N153 N154 Q220I105-Q150 HydrophobicContact CD1-CB 3.74Å; L146-Q150 HydrophobicContact CD1-CG 4.19Å; L146-Q150 WeakPolarHBondContact O-CB 3.28Å; L146-Q150 VanDerWaalsContact O-CG 3.29Å; L146-Q150 WeakPolarHBondContact O-CG 3.19Å; L146-Q150 PolarHBondContact O-N 3.33Å; T147-Q150 PolarHBondContact O-N 3.09Å; Q150-N153 PolarHBondContact O-N 3.37Å; Q150-N154 WeakPolarHBondContact O-CB 3.27Å; Q150-N154 PolarHBondContact O-N 2.91Å; Q150-N154 PolarHBondContact O-ND2 3.43Å; Q150-Q220 HydrophobicContact CG-CB 4.46Å; Q150-Q220 HydrophobicContact CG-CG 3.7Å
151I93.5Very high88.3Confident1 Ų127.2 Ų27.21%0.00515%0.145CC..Hα-helixtrans-58.6-49174.2-69.2165.1000110.1L87 I105 I129 F136 T147 G148 V149 L155L87-I151 HydrophobicContact CD2-CD1 4.17Å; I105-I151 HydrophobicContact CD1-CG1 4.29Å; I105-I151 HydrophobicContact CG1-CG1 3.91Å; I105-I151 HydrophobicContact CG2-CB 4.43Å; I105-I151 HydrophobicContact CG2-CG1 4.02Å; I129-I151 HydrophobicContact CD1-CG2 4.18Å; I129-I151 HydrophobicContact CG1-CG2 4.38Å; F136-I151 HydrophobicContact CE2-CD1 4.35Å; T147-I151 HydrophobicContact CG2-CD1 4.22Å; T147-I151 WeakPolarHBondContact O-CG1 3.11Å; T147-I151 PolarHBondContact O-N 2.64Å; G148-I151 PolarHBondContact O-N 2.97Å; V149-I151 VanDerWaalsContact C-N 3.35Å; V149-I151 PolarHBondContact O-N 2.66Å; I151-L155 WeakPolarHBondContact O-CB 3.35Å; I151-L155 PolarHBondContact O-N 2.85Å
152L95.1Very high87.4Confident0 Ų025.4 Ų25.40%014%0.139CC..Hα-helixtrans-65.1-41180-65.2179.9000112.4L130 A133 G148 V149 L155 V156 I189 L192 L224L130-L152 HydrophobicContact CD1-CD1 4.13Å; L130-L152 HydrophobicContact CD1-CD2 4.05Å; A133-L152 HydrophobicContact CB-CD1 4.18Å; A133-L152 HydrophobicContact CB-CD2 3.71Å; A133-L152 HydrophobicContact CB-CG 3.8Å; G148-L152 WeakPolarHBondContact O-CG 3.24Å; G148-L152 PolarHBondContact O-N 2.84Å; V149-L152 PolarHBondContact O-N 3.37Å; L152-L155 PolarHBondContact O-N 3.33Å; L152-V156 WeakPolarHBondContact O-CG2 3.42Å; L152-V156 PolarHBondContact O-N 2.76Å; L152-I189 HydrophobicContact CB-CG2 4.32Å; L152-I189 HydrophobicContact CD1-CG2 4.49Å; L152-I189 HydrophobicContact CD2-CD1 4.18Å; L152-I189 HydrophobicContact CD2-CG1 4.13Å; L152-L192 HydrophobicContact CD1-CD2 3.72Å; L152-L224 HydrophobicContact CB-CD1 4.13Å; L152-L224 HydrophobicContact CB-CD2 3.98Å; L152-L224 HydrophobicContact CD1-CD2 4.47Å
153N94Very high85.9Confident7 Ų725.1 Ų25.14%0.03714%0.139CC..Hα-helixtrans-66.3-46.3-179.4-175.128.8000112.2V149 Q150 L155 V156 S157 Q220 Q223 L224 S227V149-N153 WeakPolarHBondContact O-CB 3.43Å; V149-N153 PolarHBondContact O-N 2.89Å; Q150-N153 PolarHBondContact O-N 3.37Å; N153-L155 VanDerWaalsContact C-N 3.3Å; N153-L155 PolarHBondContact O-N 2.96Å; N153-V156 PolarHBondContact O-N 2.74Å; N153-S157 WeakPolarHBondContact O-CB 3.27Å; N153-S157 PolarHBondContact O-N 3.33Å; N153-S157 PolarHBondContact O-OG 3.33Å; N153-Q220 PolarHBondContact ND2-OE1 2.74Å; N153-Q223 WeakPolarHBondContact ND2-CG 3.37Å; N153-L224 HydrophobicContact CB-CB 4.13Å; N153-L224 HydrophobicContact CB-CD1 4.13Å; N153-S227 PolarHBondContact OD1-OG 2.93Å
154N93.3Very high84.2Confident29 Ų2933 Ų3316%0.15517%0.172CC..Hα-helixtrans-65.3-36174.7-72.8-20.9000110.9Q102 I105 Q150 S157 E158Q102-N154 PolarHBondContact NE2-ND2 3.16Å; Q102-N154 PolarHBondContact NE2-OD1 3.42Å; Q102-N154 PolarHBondContact OE1-ND2 2.8Å; I105-N154 HydrophobicContact CG2-CB 3.78Å; I105-N154 WeakPolarHBondContact CG2-ND2 3.3Å; Q150-N154 WeakPolarHBondContact O-CB 3.27Å; Q150-N154 PolarHBondContact O-N 2.91Å; Q150-N154 PolarHBondContact O-ND2 3.43Å; N154-S157 PolarHBondContact O-N 3.42Å; N154-E158 WeakPolarHBondContact O-CB 3.45Å; N154-E158 PolarHBondContact O-N 3.5Å
155L94.3Very high82.3Confident1 Ų135.5 Ų35.51%0.00519%0.188CC..Hα-helixtrans-64.6-47.1176.6-179.266.8000112C109 T112 I129 I151 L152 N153 S157 E158 M159 F181C109-L155 HydrophobicContact CB-CD1 4.39Å; C109-L155 PolarHBondContact SG-N 3.36Å; C109-L155 VanDerWaalsContact SG-N 3.39Å; T112-L155 HydrophobicContact CG2-CD1 3.71Å; I129-L155 HydrophobicContact CB-CD2 4.44Å; I129-L155 HydrophobicContact CG1-CD2 4.02Å; I129-L155 HydrophobicContact CG2-CD2 3.55Å; I151-L155 WeakPolarHBondContact O-CB 3.35Å; I151-L155 PolarHBondContact O-N 2.85Å; L152-L155 PolarHBondContact O-N 3.33Å; N153-L155 VanDerWaalsContact C-N 3.3Å; N153-L155 PolarHBondContact O-N 2.96Å; L155-S157 VanDerWaalsContact C-N 3.3Å; L155-S157 PolarHBondContact O-N 3.45Å; L155-E158 PolarHBondContact O-N 3.48Å; L155-M159 HydrophobicContact CD1-CE 3.83Å; L155-M159 HydrophobicContact CD1-CG 4.11Å; L155-M159 HydrophobicContact CG-CG 4.37Å; L155-M159 VanDerWaalsContact O-CB 3.31Å; L155-M159 WeakPolarHBondContact O-CB 3.25Å; L155-M159 WeakPolarHBondContact O-CG 3.46Å; L155-M159 PolarHBondContact O-N 3.32Å; L155-F181 HydrophobicContact CD2-CE2 3.85Å; L155-F181 HydrophobicContact CD2-CZ 4.36Å; L155-F181 HydrophobicContact CG-CE2 4Å; L155-F181 HydrophobicContact CG-CZ 4.22Å
156V93.4Very high80.2Confident1 Ų136.1 Ų36.11%0.00619%0.192CC..Hα-helixtrans-59.2-45.7176.41730000110.1L152 N153 M159 N160 F181 L186 I189 L224 Y231L152-V156 WeakPolarHBondContact O-CG2 3.42Å; L152-V156 PolarHBondContact O-N 2.76Å; N153-V156 PolarHBondContact O-N 2.74Å; V156-M159 PolarHBondContact O-N 2.94Å; V156-N160 WeakPolarHBondContact O-CB 3.12Å; V156-N160 PolarHBondContact O-N 3.47Å; V156-F181 HydrophobicContact CG2-CE1 4.08Å; V156-F181 HydrophobicContact CG2-CZ 3.87Å; V156-L186 HydrophobicContact CG1-CD1 4.09Å; V156-L186 HydrophobicContact CG2-CD1 4.1Å; V156-I189 HydrophobicContact CG2-CD1 4.4Å; V156-I189 HydrophobicContact CG2-CG2 4.11Å; V156-L224 HydrophobicContact CG2-CD1 4.02Å; V156-Y231 HydrophobicContact CG1-CD2 3.94Å
157S90.3Very high78.3Confident34 Ų3438 Ų3824%0.23820%0.204CC..Hα-helixtrans-62.9-46.2178.5-57.80000112.1N153 N154 L155 N160 H161N153-S157 WeakPolarHBondContact O-CB 3.27Å; N153-S157 PolarHBondContact O-N 3.33Å; N153-S157 PolarHBondContact O-OG 3.33Å; N154-S157 PolarHBondContact O-N 3.42Å; L155-S157 VanDerWaalsContact C-N 3.3Å; L155-S157 PolarHBondContact O-N 3.45Å; S157-N160 PolarHBondContact O-N 2.85Å; S157-H161 PolarHBondContact O-N 3.43Å; S157-H161 PolarHBondContact O-ND1 3.46Å
158E87.3Confident76Confident29 Ų2939.4 Ų39.414%0.13621%0.213CC..Hα-helixtrans-64.6-40.2179.3-176.261.5-145.300111.1C109 R110 K113 N154 L155 N160C109-E158 HydrophobicContact CB-CB 4.08Å; C109-E158 HydrophobicContact CB-CG 4.06Å; R110-E158 IonicContact CZ-OE1 3.13Å; R110-E158 IonicContact NE-OE1 3.72Å; R110-E158 PolarHBondContact NE-OE1 2.84Å; R110-E158 IonicContact NH2-OE1 3.06Å; R110-E158 PolarHBondContact NH2-OE1 3.49Å; R110-E158 IonicContact NH2-OE2 2.84Å; K113-E158 HydrophobicContact CB-CG 4.3Å; K113-E158 HydrophobicContact CD-CG 3.83Å; K113-E158 VanDerWaalsContact CD-O 3.31Å; K113-E158 WeakPolarHBondContact CD-O 3.42Å; K113-E158 WeakPolarHBondContact CE-O 3.24Å; K113-E158 PolarHBondContact NZ-O 3.37Å; K113-E158 IonicContact NZ-OE1 2.84Å; N154-E158 WeakPolarHBondContact O-CB 3.45Å; N154-E158 PolarHBondContact O-N 3.5Å; L155-E158 PolarHBondContact O-N 3.48Å; E158-N160 VanDerWaalsContact C-N 3.29Å; E158-N160 PolarHBondContact O-N 3.17Å
159M86.2Confident73.6Confident0 Ų042.5 Ų42.50%022%0.224CC..Hα-helixtrans-69-24.7175.1-71.8-66.9-173.100113.2T112 K113 W116 L155 V156 Q174 F181 Y231T112-M159 HydrophobicContact CG2-CE 4.12Å; K113-M159 HydrophobicContact CB-CE 4.03Å; K113-M159 HydrophobicContact CB-SD 3.99Å; K113-M159 HydrophobicContact CG-SD 3.99Å; W116-M159 HydrophobicContact CB-CE 4.17Å; W116-M159 HydrophobicContact CD2-CE 3.61Å; W116-M159 HydrophobicContact CE3-CE 3.28Å; W116-M159 HydrophobicContact CG-CE 3.99Å; W116-M159 HydrophobicContact CZ3-CE 4.01Å; L155-M159 HydrophobicContact CD1-CE 3.83Å; L155-M159 HydrophobicContact CD1-CG 4.11Å; L155-M159 HydrophobicContact CG-CG 4.37Å; L155-M159 VanDerWaalsContact O-CB 3.31Å; L155-M159 WeakPolarHBondContact O-CB 3.25Å; L155-M159 WeakPolarHBondContact O-CG 3.46Å; L155-M159 PolarHBondContact O-N 3.32Å; V156-M159 PolarHBondContact O-N 2.94Å; M159-Q174 PolarHBondContact O-NE2 3.44Å; M159-F181 HydrophobicContact CB-CD1 3.81Å; M159-F181 HydrophobicContact CB-CE1 3.97Å; M159-F181 HydrophobicContact CB-CG 4.16Å; M159-F181 HydrophobicContact CB-CZ 4.49Å; M159-F181 HydrophobicContact CE-CD2 4.28Å; M159-F181 HydrophobicContact CG-CD1 4.01Å; M159-F181 HydrophobicContact CG-CD2 3.97Å; M159-F181 HydrophobicContact CG-CE1 4.16Å; M159-F181 HydrophobicContact CG-CE2 4.15Å; M159-F181 HydrophobicContact CG-CG 3.9Å; M159-F181 HydrophobicContact CG-CZ 4.23Å; M159-F181 HydrophobicContact SD-CG 4.47Å; M159-Y231 HydrophobicContact CB-CE2 4.28Å; M159-Y231 PolarHBondContact O-OH 3.33Å
160N83.4Confident71.9Confident41 Ų4143 Ų4322%0.21923%0.228CC..Hα-helixtrans-87.8-27.6179.8-158.236.5000113.3V156 S157 E158 S230 Y231 D232V156-N160 WeakPolarHBondContact O-CB 3.12Å; V156-N160 PolarHBondContact O-N 3.47Å; S157-N160 PolarHBondContact O-N 2.85Å; E158-N160 VanDerWaalsContact C-N 3.29Å; E158-N160 PolarHBondContact O-N 3.17Å; N160-S230 PolarHBondContact ND2-O 3.44Å; N160-Y231 HydrophobicContact CB-CD2 3.82Å; N160-Y231 HydrophobicContact CB-CE2 3.72Å; N160-D232 PolarHBondContact OD1-N 3.16Å
161H73.7Confident70.1Confident123 Ų12344.3 Ų44.357%0.56924%0.235SC*.PPolyproline II helixtrans-82.2139.4-178.4-79.575.8000113.7K113 S157 Q174K113-H161 PolarHBondContact NZ-O 2.94Å; S157-H161 PolarHBondContact O-N 3.43Å; S157-H161 PolarHBondContact O-ND1 3.46Å; H161-Q174 PolarHBondContact O-NE2 3.31Å
162D62.8Low68.3Low78 Ų7844.9 Ų44.942%0.41724%0.238SC..PPolyproline II helixtrans-84.3128.1163-64-35.7000108.8Q174 G238D162-Q174 WeakPolarHBondContact OD1-CG 3.48Å; D162-G238 WeakPolarHBondContact OD2-CA 3.3Å
163C52.3Low66.9Low41 Ų4147 Ų4728%0.27725%0.249SC..PPolyproline II helixtrans-87.1142.7179.1-1570000109.6S165 D166C163-S165 PolarHBondContact O-N 3.32Å; C163-D166 WeakPolarHBondContact CA-OD2 3.41Å; C163-D166 VanDerWaalsContact CB-OD2 3.26Å; C163-D166 WeakPolarHBondContact CB-OD2 3.42Å; C163-D166 PolarHBondContact N-OD2 3.38Å; C163-D166 WeakPolarHBondContact O-CA 3.4Å; C163-D166 WeakPolarHBondContact O-CB 3.26Å; C163-D166 PolarHBondContact O-N 2.92Å
164E45.6Very low65.7Low205 Ų20546.9 Ų46.996%0.95825%0.248SC*.THydrogen-bonded Turntrans-54.9-26.2-179.3-73.9-177.1159.700114D166E164-D166 PolarHBondContact O-N 2.87Å
165S46.3Very low64.5Low65 Ų6548.4 Ų48.446%0.45525%0.252SS..THydrogen-bonded Turntrans-72.5-3.2174.959.70000114.8R70 C163 V167R70-S165 PolarHBondContact NH2-O 3.44Å; R70-S165 VanDerWaalsContact NH2-O 3.13Å; C163-S165 PolarHBondContact O-N 3.32Å; S165-V167 VanDerWaalsContact C-N 3.34Å; S165-V167 PolarHBondContact O-N 3.45Å; S165-V167 VanDerWaalsContact O-N 3.07Å
166D43Very low63.3Low38 Ų3850.1 Ų50.120%0.20326%0.259CS..  trans-87.565.6-173.8-65.7-30000112C163 E164 A170C163-D166 WeakPolarHBondContact CA-OD2 3.41Å; C163-D166 VanDerWaalsContact CB-OD2 3.26Å; C163-D166 WeakPolarHBondContact CB-OD2 3.42Å; C163-D166 PolarHBondContact N-OD2 3.38Å; C163-D166 WeakPolarHBondContact O-CA 3.4Å; C163-D166 WeakPolarHBondContact O-CB 3.26Å; C163-D166 PolarHBondContact O-N 2.92Å; E164-D166 PolarHBondContact O-N 2.87Å; D166-A170 HydrophobicContact CB-CB 3.48Å; D166-A170 VanDerWaalsContact CB-CB 3.48Å; D166-A170 WeakPolarHBondContact OD1-CB 3.29Å
167V47.1Very low62.5Low62 Ų6251.1 Ų51.138%0.37626%0.263SS..  trans-49.7143.6164.3179.60000110.1S165 R169 A170 I1087S165-V167 VanDerWaalsContact C-N 3.34Å; S165-V167 PolarHBondContact O-N 3.45Å; S165-V167 VanDerWaalsContact O-N 3.07Å; V167-R169 PolarHBondContact O-N 3.3Å; V167-A170 WeakPolarHBondContact O-CB 3.37Å; V167-A170 PolarHBondContact O-N 3.38Å; V167-I1087 HydrophobicContact CG1-CG2 3.66Å
168T40.5Very low62.2Low45 Ų4550 Ų5028%0.27626%0.255SS..THydrogen-bonded Turntrans-23.1-35.5-173.3-25.90000118.7A170 I171 I1087 Q1226T168-A170 VanDerWaalsContact C-N 3.33Å; T168-A170 PolarHBondContact O-N 3.38Å; T168-I171 PolarHBondContact O-N 3.05Å; T168-I1087 WeakPolarHBondContact OG1-CG2 3.41Å; T168-Q1226 PolarHBondContact O-OE1 3.45Å
169R40.4Very low61.8Low65 Ų6550.4 Ų50.425%0.24526%0.261CS..Hα-helixtrans-62.7-32.1171-173.6172.9-62.21522.1114.9V167 S1222 Q1226V167-R169 PolarHBondContact O-N 3.3Å; R169-S1222 PolarHBondContact NE-OG 3.25Å; R169-S1222 PolarHBondContact NH2-OG 2.9Å; R169-Q1226 HydrophobicContact CG-CG 4.37Å; R169-Q1226 VanDerWaalsContact NE-NE2 3.14Å
170A55Low61.6Low9 Ų951.7 Ų51.77%0.07427%0.27CS..Hα-helixtrans-77.7-26.5-179.800000112.6D166 V167 T168 F172 L173 Q174D166-A170 HydrophobicContact CB-CB 3.48Å; D166-A170 VanDerWaalsContact CB-CB 3.48Å; D166-A170 WeakPolarHBondContact OD1-CB 3.29Å; V167-A170 WeakPolarHBondContact O-CB 3.37Å; V167-A170 PolarHBondContact O-N 3.38Å; T168-A170 VanDerWaalsContact C-N 3.33Å; T168-A170 PolarHBondContact O-N 3.38Å; A170-F172 PolarHBondContact O-N 3.4Å; A170-L173 PolarHBondContact O-N 2.84Å; A170-Q174 WeakPolarHBondContact O-CB 3.38Å; A170-Q174 PolarHBondContact O-N 2.84Å
171I55.7Low61.9Low56 Ų5649.8 Ų49.829%0.28726%0.26SS..Hα-helixtrans-62.3-46.1-178.1-57.3177.1000111.2T168 Q174 R175 E1228T168-I171 PolarHBondContact O-N 3.05Å; I171-Q174 WeakPolarHBondContact O-CB 3.11Å; I171-Q174 PolarHBondContact O-N 2.88Å; I171-R175 PolarHBondContact O-N 2.79Å; I171-E1228 WeakPolarHBondContact CG2-OE2 2.95Å
172F55.8Low62.5Low14 Ų1445.9 Ų45.96%0.06124%0.24CC..Hα-helixtrans-60.7-51.3176.2165.4-117.6000111.9A170 Q174 R175 K176 Q1226 E1227A170-F172 PolarHBondContact O-N 3.4Å; F172-Q174 PolarHBondContact O-N 2.9Å; F172-R175 PolarHBondContact O-N 3.09Å; F172-K176 HydrophobicContact CE2-CB 4.26Å; F172-K176 HydrophobicContact CE2-CD 4.32Å; F172-K176 HydrophobicContact CZ-CD 3.92Å; F172-K176 WeakPolarHBondContact O-CB 3.29Å; F172-K176 PolarHBondContact O-N 3.15Å; F172-Q1226 HydrophobicContact CB-CB 4.2Å; F172-E1227 HydrophobicContact CD2-CB 3.4Å; F172-E1227 HydrophobicContact CD2-CG 3.53Å; F172-E1227 HydrophobicContact CE2-CB 3.69Å; F172-E1227 HydrophobicContact CE2-CG 3.24Å; F172-E1227 WeakPolarHBondContact CE2-OE2 3.47Å; F172-E1227 HydrophobicContact CG-CB 4.13Å; F172-E1227 HydrophobicContact CG-CG 4.32Å; F172-E1227 HydrophobicContact CZ-CG 3.76Å
173L63.8Low63.6Low45 Ų4547.1 Ų47.124%0.23625%0.246CC..Hα-helixtrans-58.6-36.7177.4-80.4174.8000111.4L117 A170 R177 C1331L117-L173 HydrophobicContact CD1-CD2 4.18Å; A170-L173 PolarHBondContact O-N 2.84Å; L173-R177 WeakPolarHBondContact O-CB 3.23Å; L173-R177 WeakPolarHBondContact O-CG 3.48Å; L173-R177 PolarHBondContact O-N 3.09Å; L173-R177 PolarHBondContact O-NE 2.76Å; L173-C1331 HydrophobicContact CD2-CB 3.82Å
174Q70.2Confident65.2Low4 Ų449.2 Ų49.22%0.01925%0.254CS..Hα-helixtrans-68.2-46.9177.6179.454.714.100111.8M159 H161 D162 A170 I171 F172 K176 R177 S178M159-Q174 PolarHBondContact O-NE2 3.44Å; H161-Q174 PolarHBondContact O-NE2 3.31Å; D162-Q174 WeakPolarHBondContact OD1-CG 3.48Å; A170-Q174 WeakPolarHBondContact O-CB 3.38Å; A170-Q174 PolarHBondContact O-N 2.84Å; I171-Q174 WeakPolarHBondContact O-CB 3.11Å; I171-Q174 PolarHBondContact O-N 2.88Å; F172-Q174 PolarHBondContact O-N 2.9Å; Q174-K176 VanDerWaalsContact C-N 3.31Å; Q174-K176 PolarHBondContact O-N 2.85Å; Q174-R177 PolarHBondContact O-N 2.93Å; Q174-S178 WeakPolarHBondContact O-CB 3.34Å; Q174-S178 PolarHBondContact O-N 3.03Å
175R68.5Low67.4Low61 Ų6140.4 Ų40.423%0.2321%0.214CC..Hα-helixtrans-64.2-35.1175.4-76.4-178.4-175.1-166.78.6113.1I171 F172 S179 G235 E1228I171-R175 PolarHBondContact O-N 2.79Å; F172-R175 PolarHBondContact O-N 3.09Å; R175-S179 VanDerWaalsContact O-CB 3.27Å; R175-S179 WeakPolarHBondContact O-CB 3.44Å; R175-S179 PolarHBondContact O-N 3.32Å; R175-S179 PolarHBondContact O-OG 3.18Å; R175-G235 PolarHBondContact NE-O 2.88Å; R175-G235 PolarHBondContact NH1-O 3.39Å; R175-G235 PolarHBondContact NH2-O 2.99Å; R175-E1228 WeakPolarHBondContact CD-OE1 3.29Å; R175-E1228 WeakPolarHBondContact CD-OE2 3.45Å; R175-E1228 IonicContact CZ-OE1 4Å; R175-E1228 IonicContact CZ-OE2 2.66Å; R175-E1228 IonicContact NE-OE1 3.86Å; R175-E1228 PolarHBondContact NE-OE1 3.1Å; R175-E1228 IonicContact NE-OE2 2.7Å; R175-E1228 PolarHBondContact NE-OE2 2.92Å; R175-E1228 IonicContact NH1-OE1 3.78Å; R175-E1228 PolarHBondContact NH1-OE1 3.39Å; R175-E1228 IonicContact NH1-OE2 2.82Å; R175-E1228 PolarHBondContact NH1-OE2 3.22Å; R175-E1228 IonicContact NH2-OE2 3.88Å; R175-E1228 PolarHBondContact NH2-OE2 2.97Å
176K68.9Low69.6Low36 Ų3637.3 Ų37.316%0.15719%0.192CC..Hα-helixtrans-67.3-46.7174.2-171.6171.2-175.5167.40111.8L117 F172 Q174 S179 S180 Y1329L117-K176 HydrophobicContact CD1-CD 4.27Å; L117-K176 HydrophobicContact CD1-CG 4.29Å; F172-K176 HydrophobicContact CE2-CB 4.26Å; F172-K176 HydrophobicContact CE2-CD 4.32Å; F172-K176 HydrophobicContact CZ-CD 3.92Å; F172-K176 WeakPolarHBondContact O-CB 3.29Å; F172-K176 PolarHBondContact O-N 3.15Å; Q174-K176 VanDerWaalsContact C-N 3.31Å; Q174-K176 PolarHBondContact O-N 2.85Å; K176-S179 PolarHBondContact O-N 2.87Å; K176-S180 WeakPolarHBondContact O-CB 3.19Å; K176-S180 PolarHBondContact O-N 3.39Å; K176-Y1329 VanDerWaalsContact NZ-CE1 3.26Å
177R76.7Confident72Confident23 Ų2336.7 Ų36.79%0.08719%0.189CC..Hα-helixtrans-57.1-49.8172.6-77.8177.7-77.5171.31.4111.2K113 W116 L117 L173 Q174 S179 S180 F181K113-R177 WeakPolarHBondContact O-CD 3.41Å; K113-R177 PolarHBondContact O-NH1 3.36Å; K113-R177 VanDerWaalsContact O-NH1 3.09Å; W116-R177 HydrophobicContact CB-CG 4.05Å; W116-R177 HydrophobicContact CG-CG 4.35Å; L117-R177 HydrophobicContact CD1-CG 3.78Å; L117-R177 HydrophobicContact CD2-CG 4.5Å; L117-R177 HydrophobicContact CG-CG 3.78Å; L173-R177 WeakPolarHBondContact O-CB 3.23Å; L173-R177 WeakPolarHBondContact O-CG 3.48Å; L173-R177 PolarHBondContact O-N 3.09Å; L173-R177 PolarHBondContact O-NE 2.76Å; Q174-R177 PolarHBondContact O-N 2.93Å; R177-S179 PolarHBondContact O-N 3.23Å; R177-S180 PolarHBondContact O-N 2.89Å; R177-F181 VanDerWaalsContact O-CB 3.26Å; R177-F181 WeakPolarHBondContact O-CB 3.48Å; R177-F181 PolarHBondContact O-N 3.25Å
178S82.2Confident74.3Confident10 Ų1036.2 Ų36.27%0.0719%0.187CC..Hα-helixtrans-59.8-45.5178.4170.30000112.3Q174 F181 R182 Y231Q174-S178 WeakPolarHBondContact O-CB 3.34Å; Q174-S178 PolarHBondContact O-N 3.03Å; S178-F181 PolarHBondContact O-N 3.2Å; S178-R182 VanDerWaalsContact O-CB 3.28Å; S178-R182 WeakPolarHBondContact O-CB 3.3Å; S178-R182 PolarHBondContact O-N 3.38Å; S178-Y231 WeakPolarHBondContact CA-OH 3.06Å; S178-Y231 VanDerWaalsContact CB-OH 3.28Å; S178-Y231 WeakPolarHBondContact CB-OH 3.48Å; S178-Y231 PolarHBondContact O-OH 3.25Å; S178-Y231 WeakPolarHBondContact OG-CE1 3.35Å; S178-Y231 PolarHBondContact OG-OH 3Å
179S80Confident76.8Confident37 Ų3734 Ų3426%0.25917%0.174SC..Hα-helixtrans-64.8-44.3176.5-65.70000112.3R175 K176 R177 R182 D183R175-S179 VanDerWaalsContact O-CB 3.27Å; R175-S179 WeakPolarHBondContact O-CB 3.44Å; R175-S179 PolarHBondContact O-N 3.32Å; R175-S179 PolarHBondContact O-OG 3.18Å; K176-S179 PolarHBondContact O-N 2.87Å; R177-S179 PolarHBondContact O-N 3.23Å; S179-R182 WeakPolarHBondContact O-CB 3.15Å; S179-R182 PolarHBondContact O-N 2.9Å; S179-D183 WeakPolarHBondContact O-CB 3.48Å; S179-D183 PolarHBondContact O-N 2.69Å
180S82.3Confident79.4Confident28 Ų2831 Ų3120%0.19616%0.162CC..Hα-helixtrans-62.7-44.2175.9170.20000111.5W116 K176 R177 D183 L184W116-S180 PolarHBondContact NE1-OG 3.45Å; W116-S180 VanDerWaalsContact NE1-OG 3.07Å; K176-S180 WeakPolarHBondContact O-CB 3.19Å; K176-S180 PolarHBondContact O-N 3.39Å; R177-S180 PolarHBondContact O-N 2.89Å; S180-D183 PolarHBondContact O-N 2.73Å; S180-L184 WeakPolarHBondContact O-CB 3.22Å; S180-L184 WeakPolarHBondContact O-CG 3.38Å; S180-L184 PolarHBondContact O-N 2.68Å
181F89Confident81.3Confident0 Ų036.5 Ų36.50%018%0.181CC..Hα-helixtrans-61.7-44175.6177.7-102.2000112.2W116 L155 V156 M159 R177 S178 D183 L185 L186 I189 Y231W116-F181 AromaticContact CH2-CD2 3.64Å; W116-F181 HydrophobicContact CH2-CD2 3.64Å; W116-F181 HydrophobicContact CH2-CE2 4.39Å; W116-F181 HydrophobicContact CZ2-CB 3.91Å; W116-F181 AromaticContact CZ2-CD2 3.81Å; W116-F181 HydrophobicContact CZ2-CD2 3.81Å; W116-F181 HydrophobicContact CZ2-CG 4.37Å; W116-F181 HydrophobicContact CZ3-CD2 4Å; L155-F181 HydrophobicContact CD2-CE2 3.85Å; L155-F181 HydrophobicContact CD2-CZ 4.36Å; L155-F181 HydrophobicContact CG-CE2 4Å; L155-F181 HydrophobicContact CG-CZ 4.22Å; V156-F181 HydrophobicContact CG2-CE1 4.08Å; V156-F181 HydrophobicContact CG2-CZ 3.87Å; M159-F181 HydrophobicContact CB-CD1 3.81Å; M159-F181 HydrophobicContact CB-CE1 3.97Å; M159-F181 HydrophobicContact CB-CG 4.16Å; M159-F181 HydrophobicContact CB-CZ 4.49Å; M159-F181 HydrophobicContact CE-CD2 4.28Å; M159-F181 HydrophobicContact CG-CD1 4.01Å; M159-F181 HydrophobicContact CG-CD2 3.97Å; M159-F181 HydrophobicContact CG-CE1 4.16Å; M159-F181 HydrophobicContact CG-CE2 4.15Å; M159-F181 HydrophobicContact CG-CG 3.9Å; M159-F181 HydrophobicContact CG-CZ 4.23Å; M159-F181 HydrophobicContact SD-CG 4.47Å; R177-F181 VanDerWaalsContact O-CB 3.26Å; R177-F181 WeakPolarHBondContact O-CB 3.48Å; R177-F181 PolarHBondContact O-N 3.25Å; S178-F181 PolarHBondContact O-N 3.2Å; F181-D183 VanDerWaalsContact C-N 3.32Å; F181-D183 PolarHBondContact O-N 2.51Å; F181-L185 HydrophobicContact CD2-CB 4.23Å; F181-L185 HydrophobicContact CE2-CB 4.08Å; F181-L185 HydrophobicContact CE2-CD1 4.46Å; F181-L185 PolarHBondContact O-N 3.26Å; F181-L186 HydrophobicContact CE1-CB 4.44Å; F181-L186 HydrophobicContact CE1-CD1 3.91Å; F181-L186 PolarHBondContact O-N 3.23Å; F181-I189 HydrophobicContact CE2-CD1 4Å; F181-I189 HydrophobicContact CZ-CD1 3.77Å; F181-Y231 AromaticContact CD1-CE2 3.97Å; F181-Y231 HydrophobicContact CD1-CE2 3.97Å; F181-Y231 AromaticContact CD1-CZ 3.9Å; F181-Y231 HydrophobicContact CE1-CE2 4.05Å
182R87.5Confident83Confident42 Ų4235.8 Ų35.816%0.15818%0.178CC..Iπ-helixtrans-55.5-47174.3-179.5-163.168.1-136.6-11.5111.6S178 S179 L186 Y231 F233S178-R182 VanDerWaalsContact O-CB 3.28Å; S178-R182 WeakPolarHBondContact O-CB 3.3Å; S178-R182 PolarHBondContact O-N 3.38Å; S179-R182 WeakPolarHBondContact O-CB 3.15Å; S179-R182 PolarHBondContact O-N 2.9Å; R182-L186 HydrophobicContact CB-CD2 4.31Å; R182-L186 HydrophobicContact CG-CD2 4.02Å; R182-L186 WeakPolarHBondContact O-CB 2.92Å; R182-Y231 HydrophobicContact CB-CE1 4.12Å; R182-F233 WeakPolarHBondContact CD-O 3.26Å; R182-F233 HydrophobicContact CG-CD1 4.01Å; R182-F233 PolarHBondContact NH1-O 3.21Å
183D84.1Confident84.7Confident103 Ų10335.1 Ų35.155%0.55118%0.175SC*.Iπ-helixtrans-79.3-32.9-172.8-63.9-19.8000112.4S179 S180 F181S179-D183 WeakPolarHBondContact O-CB 3.48Å; S179-D183 PolarHBondContact O-N 2.69Å; S180-D183 PolarHBondContact O-N 2.73Å; F181-D183 VanDerWaalsContact C-N 3.32Å; F181-D183 PolarHBondContact O-N 2.51Å
184L86.7Confident86.1Confident85 Ų8533.1 Ų33.145%0.44516%0.164SC..Iπ-helixtrans-90.6-52.6-177-66175.5000114S180S180-L184 WeakPolarHBondContact O-CB 3.22Å; S180-L184 WeakPolarHBondContact O-CG 3.38Å; S180-L184 PolarHBondContact O-N 2.68Å
185L91.4Very high87.2Confident20 Ų2036.6 Ų36.611%0.10518%0.183CC..Iπ-helixtrans-115.1-24.6-167-65.2-164.3000114.8W116 I129 L130 F181 L187 P188 I189W116-L185 HydrophobicContact CH2-CB 4.48Å; W116-L185 HydrophobicContact CH2-CD1 3.39Å; W116-L185 HydrophobicContact CH2-CG 3.76Å; W116-L185 HydrophobicContact CZ2-CD1 4.47Å; W116-L185 HydrophobicContact CZ2-CG 4.44Å; W116-L185 HydrophobicContact CZ3-CD1 3.96Å; I129-L185 HydrophobicContact CG2-CD1 3.76Å; L130-L185 HydrophobicContact CB-CD1 4.11Å; L130-L185 HydrophobicContact CB-CD2 4.1Å; L130-L185 HydrophobicContact CD2-CD2 4.02Å; F181-L185 HydrophobicContact CD2-CB 4.23Å; F181-L185 HydrophobicContact CE2-CB 4.08Å; F181-L185 HydrophobicContact CE2-CD1 4.46Å; F181-L185 PolarHBondContact O-N 3.26Å; L185-L187 PolarHBondContact O-N 3.1Å; L185-P188 VanDerWaalsContact O-CD 3.29Å; L185-P188 WeakPolarHBondContact O-CD 3.4Å; L185-I189 HydrophobicContact CB-CD1 3.93Å; L185-I189 WeakPolarHBondContact O-CB 3.38Å; L185-I189 WeakPolarHBondContact O-CD1 3.38Å; L185-I189 WeakPolarHBondContact O-CG1 3.29Å; L185-I189 PolarHBondContact O-N 2.92Å
186L93.1Very high88.2Confident0 Ų035.2 Ų35.20%018%0.18CC..Iπ-helixtrans-63.5-41.5-171.9-172.668.9000113V156 F181 R182 I189 F190 C228 Y231 F233 W264V156-L186 HydrophobicContact CG1-CD1 4.09Å; V156-L186 HydrophobicContact CG2-CD1 4.1Å; F181-L186 HydrophobicContact CE1-CB 4.44Å; F181-L186 HydrophobicContact CE1-CD1 3.91Å; F181-L186 PolarHBondContact O-N 3.23Å; R182-L186 HydrophobicContact CB-CD2 4.31Å; R182-L186 HydrophobicContact CG-CD2 4.02Å; R182-L186 WeakPolarHBondContact O-CB 2.92Å; L186-I189 PolarHBondContact O-N 3.49Å; L186-F190 WeakPolarHBondContact O-CB 3.43Å; L186-F190 PolarHBondContact O-N 3.01Å; L186-C228 HydrophobicContact CD1-CB 4.28Å; L186-Y231 HydrophobicContact CD1-CD2 4.2Å; L186-Y231 HydrophobicContact CD1-CG 4.31Å; L186-Y231 HydrophobicContact CD2-CD1 3.66Å; L186-Y231 HydrophobicContact CD2-CD2 4.33Å; L186-Y231 HydrophobicContact CD2-CE1 4.26Å; L186-Y231 HydrophobicContact CD2-CG 3.7Å; L186-F233 HydrophobicContact CD2-CD1 4.28Å; L186-F233 HydrophobicContact CD2-CE1 3.69Å; L186-F233 HydrophobicContact CD2-CZ 4.41Å; L186-W264 HydrophobicContact CB-CZ2 4.31Å; L186-W264 HydrophobicContact CD2-CH2 4.1Å; L186-W264 HydrophobicContact CD2-CZ2 3.96Å; L186-W264 HydrophobicContact CG-CH2 3.89Å; L186-W264 HydrophobicContact CG-CZ2 3.82Å
187L93.9Very high89.3Confident25 Ų2533.5 Ų33.513%0.13117%0.173CC..Hα-helixtrans-66.7-48177.1177.358.5000112.8L185 I189 F190 R191 W264 I267L185-L187 PolarHBondContact O-N 3.1Å; L187-I189 VanDerWaalsContact C-N 3.34Å; L187-I189 PolarHBondContact O-N 3.31Å; L187-F190 PolarHBondContact O-N 3.2Å; L187-R191 HydrophobicContact CD1-CG 4.33Å; L187-R191 WeakPolarHBondContact O-CG 3.26Å; L187-R191 PolarHBondContact O-N 3.37Å; L187-W264 HydrophobicContact CB-CZ2 3.95Å; L187-W264 HydrophobicContact CD1-CD2 3.79Å; L187-W264 HydrophobicContact CD1-CE3 4.5Å; L187-W264 HydrophobicContact CD1-CG 3.82Å; L187-W264 HydrophobicContact CD1-CZ2 4.27Å; L187-I267 HydrophobicContact CD1-CD1 3.45Å; L187-I267 VanDerWaalsContact CD1-CD1 3.45Å
188P93.9Very high90Very high52 Ų5235.9 Ų35.934%0.33818%0.181SC..Hα-helixtrans-54.2-45.8170.4-29.234.1000113.8L130 L185 F190 R191 L192L130-P188 HydrophobicContact CD2-CB 3.53Å; L130-P188 HydrophobicContact CD2-CG 4.45Å; L185-P188 VanDerWaalsContact O-CD 3.29Å; L185-P188 WeakPolarHBondContact O-CD 3.4Å; P188-F190 PolarHBondContact O-N 3.15Å; P188-R191 PolarHBondContact O-N 2.91Å; P188-L192 WeakPolarHBondContact O-CB 3.28Å; P188-L192 PolarHBondContact O-N 3.08Å
189I94.7Very high90.2Very high0 Ų039.8 Ų39.80%020%0.202CC..Hα-helixtrans-59.7-46.7177.6-70.4167000110.6L130 L152 V156 F181 L185 L186 L187 R191 L192 S193 L224L130-I189 HydrophobicContact CD1-CG1 3.85Å; L152-I189 HydrophobicContact CB-CG2 4.32Å; L152-I189 HydrophobicContact CD1-CG2 4.49Å; L152-I189 HydrophobicContact CD2-CD1 4.18Å; L152-I189 HydrophobicContact CD2-CG1 4.13Å; V156-I189 HydrophobicContact CG2-CD1 4.4Å; V156-I189 HydrophobicContact CG2-CG2 4.11Å; F181-I189 HydrophobicContact CE2-CD1 4Å; F181-I189 HydrophobicContact CZ-CD1 3.77Å; L185-I189 HydrophobicContact CB-CD1 3.93Å; L185-I189 WeakPolarHBondContact O-CB 3.38Å; L185-I189 WeakPolarHBondContact O-CD1 3.38Å; L185-I189 WeakPolarHBondContact O-CG1 3.29Å; L185-I189 PolarHBondContact O-N 2.92Å; L186-I189 PolarHBondContact O-N 3.49Å; L187-I189 VanDerWaalsContact C-N 3.34Å; L187-I189 PolarHBondContact O-N 3.31Å; I189-R191 PolarHBondContact O-N 2.62Å; I189-L192 PolarHBondContact O-N 3.41Å; I189-S193 PolarHBondContact O-N 3.17Å; I189-S193 PolarHBondContact O-OG 3.2Å; I189-L224 HydrophobicContact CG2-CD1 3.7Å; I189-L224 HydrophobicContact CG2-CD2 4.18Å; I189-L224 HydrophobicContact CG2-CG 4.23Å
190F94.7Very high90.4Very high0 Ų038.7 Ų38.70%020%0.195CC..Hα-helixtrans-59.8-45.1177.4179.5-115000111.9L186 L187 P188 L192 S193 L194 V225 C228 L229 W264 I267 F268L186-F190 WeakPolarHBondContact O-CB 3.43Å; L186-F190 PolarHBondContact O-N 3.01Å; L187-F190 PolarHBondContact O-N 3.2Å; P188-F190 PolarHBondContact O-N 3.15Å; F190-L192 PolarHBondContact O-N 3.37Å; F190-S193 PolarHBondContact O-N 3.14Å; F190-S193 PolarHBondContact O-OG 3.3Å; F190-L194 HydrophobicContact CD1-CD1 3.92Å; F190-L194 HydrophobicContact CE1-CD1 3.44Å; F190-L194 VanDerWaalsContact CE1-CD1 3.44Å; F190-L194 HydrophobicContact CE1-CG 4.3Å; F190-L194 HydrophobicContact CE2-CD1 4.24Å; F190-L194 HydrophobicContact CE2-CG 4.26Å; F190-L194 HydrophobicContact CZ-CD1 3.62Å; F190-L194 HydrophobicContact CZ-CD2 4.4Å; F190-L194 HydrophobicContact CZ-CG 4.12Å; F190-L194 WeakPolarHBondContact O-CG 3.47Å; F190-L194 PolarHBondContact O-N 3.13Å; F190-V225 HydrophobicContact CE2-CG1 4.02Å; F190-C228 HydrophobicContact CB-CB 4.25Å; F190-C228 HydrophobicContact CD2-CB 3.77Å; F190-C228 HydrophobicContact CG-CB 4.42Å; F190-L229 HydrophobicContact CE2-CD1 4.44Å; F190-L229 HydrophobicContact CE2-CD2 3.83Å; F190-L229 HydrophobicContact CE2-CG 3.92Å; F190-L229 HydrophobicContact CZ-CD2 3.93Å; F190-L229 HydrophobicContact CZ-CG 4.48Å; F190-W264 HydrophobicContact CB-CH2 3.77Å; F190-W264 HydrophobicContact CB-CZ3 3.96Å; F190-W264 AromaticContact CD1-CE3 3.75Å; F190-W264 HydrophobicContact CD1-CE3 3.75Å; F190-W264 HydrophobicContact CD1-CH2 4.16Å; F190-W264 AromaticContact CD1-CZ3 3.5Å; F190-W264 HydrophobicContact CD1-CZ3 3.5Å; F190-W264 HydrophobicContact CD2-CZ3 4.02Å; F190-W264 AromaticContact CE1-CE3 3.89Å; F190-W264 HydrophobicContact CE1-CE3 3.89Å; F190-W264 AromaticContact CE1-CZ3 3.88Å; F190-W264 HydrophobicContact CE1-CZ3 3.88Å; F190-W264 HydrophobicContact CE2-CZ3 4.35Å; F190-W264 HydrophobicContact CG-CE3 4.3Å; F190-W264 AromaticContact CG-CH2 3.92Å; F190-W264 HydrophobicContact CG-CH2 3.92Å; F190-W264 AromaticContact CG-CZ3 3.57Å; F190-W264 HydrophobicContact CG-CZ3 3.57Å; F190-W264 HydrophobicContact CZ-CZ3 4.3Å; F190-I267 HydrophobicContact CD1-CD1 3.95Å; F190-I267 HydrophobicContact CE1-CD1 4.01Å; F190-I267 HydrophobicContact CE1-CG2 3.84Å; F190-F268 HydrophobicContact CE1-CZ 4.19Å; F190-F268 HydrophobicContact CZ-CE1 4.23Å; F190-F268 HydrophobicContact CZ-CZ 4.01Å
191R94.1Very high90.5Very high125 Ų12538.1 Ų38.147%0.47219%0.19SC..Hα-helixtrans-62.7-43.2176.8-74.1176.9176.8174.50.2112.7L187 P188 I189 S193 L194 N195 I267L187-R191 HydrophobicContact CD1-CG 4.33Å; L187-R191 WeakPolarHBondContact O-CG 3.26Å; L187-R191 PolarHBondContact O-N 3.37Å; P188-R191 PolarHBondContact O-N 2.91Å; I189-R191 PolarHBondContact O-N 2.62Å; R191-S193 VanDerWaalsContact C-N 3.34Å; R191-S193 PolarHBondContact O-N 3.47Å; R191-L194 PolarHBondContact O-N 3.47Å; R191-N195 VanDerWaalsContact O-CG 3.29Å; R191-N195 PolarHBondContact O-N 3.29Å; R191-N195 PolarHBondContact O-ND2 2.99Å; R191-I267 HydrophobicContact CG-CD1 4.09Å
192L92.2Very high90.4Very high41 Ų4145.3 Ų45.322%0.21522%0.223CC..Hα-helixtrans-58.5-48176.3-179.765.9000110.6L130 I137 L152 P188 I189 F190 L194 N195 L196L130-L192 HydrophobicContact CD1-CD2 4.25Å; I137-L192 HydrophobicContact CD1-CD2 3.69Å; I137-L192 HydrophobicContact CD1-CG 4.37Å; L152-L192 HydrophobicContact CD1-CD2 3.72Å; P188-L192 WeakPolarHBondContact O-CB 3.28Å; P188-L192 PolarHBondContact O-N 3.08Å; I189-L192 PolarHBondContact O-N 3.41Å; F190-L192 PolarHBondContact O-N 3.37Å; L192-L194 PolarHBondContact O-N 3.23Å; L192-N195 PolarHBondContact O-N 3.42Å; L192-L196 WeakPolarHBondContact O-CG 3.35Å; L192-L196 PolarHBondContact O-N 3.38Å
193S92Very high90.1Very high0 Ų045.4 Ų45.40%023%0.23CC..Hα-helixtrans-62.8-39.9177.970.20000113I189 F190 R191 L196 L197 V225I189-S193 PolarHBondContact O-N 3.17Å; I189-S193 PolarHBondContact O-OG 3.2Å; F190-S193 PolarHBondContact O-N 3.14Å; F190-S193 PolarHBondContact O-OG 3.3Å; R191-S193 VanDerWaalsContact C-N 3.34Å; R191-S193 PolarHBondContact O-N 3.47Å; S193-L196 PolarHBondContact O-N 2.98Å; S193-L197 WeakPolarHBondContact O-CG 3.39Å; S193-L197 PolarHBondContact O-N 3.14Å; S193-L197 VanDerWaalsContact O-N 3.09Å; S193-V225 WeakPolarHBondContact OG-CG2 3.36Å
194L93.2Very high89.7Confident3 Ų341.7 Ų41.72%0.01621%0.211CC..Hα-helixtrans-64.3-39.4174.5-77.5178000112.6F190 R191 L192 L197 R198 V225 I267 F277F190-L194 HydrophobicContact CD1-CD1 3.92Å; F190-L194 HydrophobicContact CE1-CD1 3.44Å; F190-L194 VanDerWaalsContact CE1-CD1 3.44Å; F190-L194 HydrophobicContact CE1-CG 4.3Å; F190-L194 HydrophobicContact CE2-CD1 4.24Å; F190-L194 HydrophobicContact CE2-CG 4.26Å; F190-L194 HydrophobicContact CZ-CD1 3.62Å; F190-L194 HydrophobicContact CZ-CD2 4.4Å; F190-L194 HydrophobicContact CZ-CG 4.12Å; F190-L194 WeakPolarHBondContact O-CG 3.47Å; F190-L194 PolarHBondContact O-N 3.13Å; R191-L194 PolarHBondContact O-N 3.47Å; L192-L194 PolarHBondContact O-N 3.23Å; L194-L197 PolarHBondContact O-N 3.23Å; L194-R198 VanDerWaalsContact O-CG 3.3Å; L194-R198 WeakPolarHBondContact O-CG 3.4Å; L194-R198 PolarHBondContact O-N 3.36Å; L194-V225 HydrophobicContact CD2-CG2 4.37Å; L194-I267 HydrophobicContact CD1-CG2 3.58Å; L194-F277 HydrophobicContact CD2-CE2 4.17Å; L194-F277 HydrophobicContact CD2-CZ 3.74Å
195N91.6Very high88.9Confident78 Ų7844.7 Ų44.742%0.41723%0.233SC..Hα-helixtrans-65.6-43.5177.3-71-19.8000111R191 L192 L197 R198 D199R191-N195 VanDerWaalsContact O-CG 3.29Å; R191-N195 PolarHBondContact O-N 3.29Å; R191-N195 PolarHBondContact O-ND2 2.99Å; L192-N195 PolarHBondContact O-N 3.42Å; N195-L197 VanDerWaalsContact C-N 3.27Å; N195-L197 PolarHBondContact O-N 2.95Å; N195-R198 WeakPolarHBondContact O-CB 3.17Å; N195-R198 PolarHBondContact O-N 3.16Å; N195-D199 VanDerWaalsContact O-CG 3.27Å; N195-D199 PolarHBondContact O-N 2.82Å
196L89.7Confident88.1Confident32 Ų3248.1 Ų48.117%0.16826%0.258CS..Hα-helixtrans-57.1-40.3173.5-68.6173.5000112I137 V149 L192 S193 A200I137-L196 HydrophobicContact CG2-CD2 4.44Å; V149-L196 HydrophobicContact CG2-CD1 3.6Å; L192-L196 WeakPolarHBondContact O-CG 3.35Å; L192-L196 PolarHBondContact O-N 3.38Å; S193-L196 PolarHBondContact O-N 2.98Å; L196-A200 WeakPolarHBondContact O-CB 3.43Å; L196-A200 PolarHBondContact O-N 2.95Å
197L91.8Very high86.9Confident0 Ų050.4 Ų50.40%027%0.27CS..Hα-helixtrans-69.2-35.6175-68-175.6000113.3S193 L194 N195 A200 D201 L218 L222 V225 L276 F277 L280S193-L197 WeakPolarHBondContact O-CG 3.39Å; S193-L197 PolarHBondContact O-N 3.14Å; S193-L197 VanDerWaalsContact O-N 3.09Å; L194-L197 PolarHBondContact O-N 3.23Å; N195-L197 VanDerWaalsContact C-N 3.27Å; N195-L197 PolarHBondContact O-N 2.95Å; L197-A200 PolarHBondContact O-N 3.02Å; L197-D201 PolarHBondContact O-N 3.43Å; L197-L218 HydrophobicContact CD2-CD1 3.67Å; L197-L222 HydrophobicContact CD1-CD2 3.87Å; L197-L222 HydrophobicContact CD1-CG 4.49Å; L197-L222 HydrophobicContact CD2-CD2 4.14Å; L197-L222 HydrophobicContact CD2-CG 3.99Å; L197-V225 HydrophobicContact CD1-CB 4.49Å; L197-V225 HydrophobicContact CD1-CG2 3.71Å; L197-L276 HydrophobicContact CB-CD2 4.24Å; L197-F277 HydrophobicContact CD1-CE1 4.07Å; L197-L280 HydrophobicContact CB-CD1 4.26Å; L197-L280 HydrophobicContact CD1-CD1 4.25Å; L197-L280 HydrophobicContact CD2-CD1 4.38Å
198R91.3Very high86Confident72 Ų7253 Ų5327%0.27228%0.284SS..Hα-helixtrans-66.4-42.6175.2-73170178.6-161.3-6111L194 N195 A200 D201 Q202 D270 T273 L276L194-R198 VanDerWaalsContact O-CG 3.3Å; L194-R198 WeakPolarHBondContact O-CG 3.4Å; L194-R198 PolarHBondContact O-N 3.36Å; N195-R198 WeakPolarHBondContact O-CB 3.17Å; N195-R198 PolarHBondContact O-N 3.16Å; R198-A200 VanDerWaalsContact C-N 3.34Å; R198-D201 PolarHBondContact O-N 3.4Å; R198-Q202 WeakPolarHBondContact O-CG 3.47Å; R198-Q202 PolarHBondContact O-N 3.2Å; R198-Q202 VanDerWaalsContact O-N 3.08Å; R198-D270 IonicContact CZ-OD2 2.99Å; R198-D270 IonicContact NH1-OD2 3.64Å; R198-D270 IonicContact NH2-OD2 3.1Å; R198-D270 PolarHBondContact NH2-OD2 3.37Å; R198-T273 PolarHBondContact NH2-OG1 3.15Å; R198-L276 HydrophobicContact CG-CD2 3.76Å
199D87Confident84.8Confident92 Ų9253 Ų5349%0.49228%0.281SS..Hα-helixtrans-66.1-38.8176.4-64.4-20000111N195 Q202 S203N195-D199 VanDerWaalsContact O-CG 3.27Å; N195-D199 PolarHBondContact O-N 2.82Å; D199-Q202 PolarHBondContact O-N 2.99Å; D199-S203 WeakPolarHBondContact O-CB 3.43Å; D199-S203 PolarHBondContact O-N 3.42Å; D199-S203 PolarHBondContact O-OG 2.99Å
200A84.1Confident83.7Confident15 Ų1559.9 Ų59.912%0.12432%0.318CS..Hα-helixtrans-63.9-4317300000112.7L196 L197 R198 Q202 S203 L204 L207 L218L196-A200 WeakPolarHBondContact O-CB 3.43Å; L196-A200 PolarHBondContact O-N 2.95Å; L197-A200 PolarHBondContact O-N 3.02Å; R198-A200 VanDerWaalsContact C-N 3.34Å; A200-Q202 VanDerWaalsContact C-N 3.3Å; A200-Q202 PolarHBondContact O-N 3.06Å; A200-S203 WeakPolarHBondContact CA-OG 3.5Å; A200-S203 PolarHBondContact O-N 3.07Å; A200-S203 PolarHBondContact O-OG 2.88Å; A200-L204 WeakPolarHBondContact O-CA 3.39Å; A200-L204 WeakPolarHBondContact O-CB 3.41Å; A200-L204 PolarHBondContact O-N 3.02Å; A200-L207 HydrophobicContact CB-CD1 4.37Å; A200-L218 HydrophobicContact CB-CD1 3.83Å
201D85.6Confident82.9Confident16 Ų1662.5 Ų62.59%0.08633%0.332CS..Hα-helixtrans-64.2-35.3176.8-175.538.1000111.8L197 R198 L276 R279 L280 K283L197-D201 PolarHBondContact O-N 3.43Å; R198-D201 PolarHBondContact O-N 3.4Å; D201-L276 HydrophobicContact CB-CD1 3.67Å; D201-R279 IonicContact OD2-CZ 2.71Å; D201-R279 IonicContact OD2-NE 3.82Å; D201-R279 PolarHBondContact OD2-NE 3.01Å; D201-R279 IonicContact OD2-NH2 3.37Å; D201-R279 PolarHBondContact OD2-NH2 3.41Å; D201-L280 HydrophobicContact CB-CD2 4.15Å; D201-K283 IonicContact OD1-NZ 3.99Å; D201-K283 PolarHBondContact OD1-NZ 3.05Å
202Q85.3Confident82.2Confident151 Ų15160.7 Ų60.771%0.70634%0.336SS*.Hα-helixtrans-71.2-39.5175.3-70.5179.125.800112.7R198 D199 A200 L204R198-Q202 WeakPolarHBondContact O-CG 3.47Å; R198-Q202 PolarHBondContact O-N 3.2Å; R198-Q202 VanDerWaalsContact O-N 3.08Å; D199-Q202 PolarHBondContact O-N 2.99Å; A200-Q202 VanDerWaalsContact C-N 3.3Å; A200-Q202 PolarHBondContact O-N 3.06Å; Q202-L204 VanDerWaalsContact C-N 3.32Å
203S81.7Confident81.6Confident43 Ų4362.8 Ų62.830%0.30135%0.345SS..Hα-helixtrans-87.12.6-178.358.10000114.1D199 A200 T205 S206 L207D199-S203 WeakPolarHBondContact O-CB 3.43Å; D199-S203 PolarHBondContact O-N 3.42Å; D199-S203 PolarHBondContact O-OG 2.99Å; A200-S203 WeakPolarHBondContact CA-OG 3.5Å; A200-S203 PolarHBondContact O-N 3.07Å; A200-S203 PolarHBondContact O-OG 2.88Å; S203-T205 VanDerWaalsContact C-N 3.27Å; S203-T205 PolarHBondContact O-N 3.36Å; S203-T205 VanDerWaalsContact O-N 3.11Å; S203-S206 WeakPolarHBondContact O-CA 3.27Å; S203-S206 PolarHBondContact O-N 3.41Å; S203-S206 PolarHBondContact O-OG 3.44Å; S203-L207 PolarHBondContact O-N 2.73Å
204L75.9Confident81.2Confident26 Ų2665.1 Ų65.114%0.13636%0.356CS..G310 helixtrans-59.3-31-169-169.768.9000115.3A200 Q202 S206 L207 K283 L284A200-L204 WeakPolarHBondContact O-CA 3.39Å; A200-L204 WeakPolarHBondContact O-CB 3.41Å; A200-L204 PolarHBondContact O-N 3.02Å; Q202-L204 VanDerWaalsContact C-N 3.32Å; L204-S206 PolarHBondContact O-N 3.46Å; L204-L207 HydrophobicContact CD1-CD1 3.96Å; L204-L207 PolarHBondContact O-N 3.15Å; L204-K283 HydrophobicContact CD2-CB 3.44Å; L204-K283 VanDerWaalsContact CD2-CB 3.44Å; L204-K283 HydrophobicContact CD2-CD 3.11Å; L204-K283 HydrophobicContact CD2-CG 3.94Å; L204-L284 HydrophobicContact CD1-CD2 3.99Å
205T69.9Low80.8Confident148 Ų14867.2 Ų67.291%0.90837%0.365SS*.G310 helixtrans-66.4-17.3175.351.60000113.4S203S203-T205 VanDerWaalsContact C-N 3.27Å; S203-T205 PolarHBondContact O-N 3.36Å; S203-T205 VanDerWaalsContact O-N 3.11Å
206S73.9Confident80.6Confident92 Ų9264.3 Ų64.364%0.64335%0.353SS*.G310 helixtrans-106.8-8.3179.2650000114.2S203 L204S203-S206 WeakPolarHBondContact O-CA 3.27Å; S203-S206 PolarHBondContact O-N 3.41Å; S203-S206 PolarHBondContact O-OG 3.44Å; L204-S206 PolarHBondContact O-N 3.46Å
207L69.7Low80.5Confident47 Ų4764.4 Ų64.425%0.24635%0.354CS..  trans-75.6127.7179.8-73.2173.7000110.5A200 S203 L204A200-L207 HydrophobicContact CB-CD1 4.37Å; S203-L207 PolarHBondContact O-N 2.73Å; L204-L207 HydrophobicContact CD1-CD1 3.96Å; L204-L207 PolarHBondContact O-N 3.15Å
208D73.4Confident80.4Confident79 Ų7964.8 Ų64.842%0.42236%0.356SS..  trans-93.595.5169.3-178.713.3000108.7N210 N211 Q214D208-N210 PolarHBondContact O-N 2.91Å; D208-N210 VanDerWaalsContact O-N 3.1Å; D208-N210 WeakPolarHBondContact OD1-CB 3.42Å; D208-N210 PolarHBondContact OD1-N 3.25Å; D208-N210 VanDerWaalsContact OD1-N 3.11Å; D208-N210 PolarHBondContact OD1-ND2 3.05Å; D208-N211 HydrophobicContact CB-CB 4.43Å; D208-N211 VanDerWaalsContact O-CB 3.24Å; D208-N211 WeakPolarHBondContact O-CB 3.11Å; D208-N211 PolarHBondContact O-N 2.88Å; D208-Q214 PolarHBondContact O-OE1 3.47Å
209L69.5Low80.3Confident52 Ų5265.8 Ų65.827%0.27236%0.361SS..THydrogen-bonded Turntrans-65.5-9.4179.1-65.3176000113.5N211 L218L209-N211 VanDerWaalsContact C-N 3.29Å; L209-L218 HydrophobicContact CD2-CD2 4.47Å
210N70.9Confident80.6Confident146 Ų14662.8 Ų62.878%0.78134%0.343SS*.THydrogen-bonded Turntrans-78.8-17.4170-53.2-62.7000112.1D208 P212D208-N210 PolarHBondContact O-N 2.91Å; D208-N210 VanDerWaalsContact O-N 3.1Å; D208-N210 WeakPolarHBondContact OD1-CB 3.42Å; D208-N210 PolarHBondContact OD1-N 3.25Å; D208-N210 VanDerWaalsContact OD1-N 3.11Å; D208-N210 PolarHBondContact OD1-ND2 3.05Å; N210-P212 WeakPolarHBondContact O-CD 3.29Å
211N78.6Confident81Confident54 Ų5462.1 Ų62.129%0.28934%0.338SS..SBendtrans-73.3115.2173.7-175-21.9000109.1D208 L209 E213 Q214 H215D208-N211 HydrophobicContact CB-CB 4.43Å; D208-N211 VanDerWaalsContact O-CB 3.24Å; D208-N211 WeakPolarHBondContact O-CB 3.11Å; D208-N211 PolarHBondContact O-N 2.88Å; L209-N211 VanDerWaalsContact C-N 3.29Å; N211-E213 PolarHBondContact O-N 3.28Å; N211-E213 VanDerWaalsContact O-N 3.15Å; N211-E213 PolarHBondContact OD1-N 3.02Å; N211-Q214 HydrophobicContact CB-CB 4.3Å; N211-Q214 HydrophobicContact CB-CG 4.29Å; N211-Q214 PolarHBondContact O-N 2.91Å; N211-H215 WeakPolarHBondContact O-CB 3.46Å; N211-H215 PolarHBondContact O-N 2.71Å
212P79.3Confident81.4Confident87 Ų8761.4 Ų61.457%0.56533%0.334SS*.Hα-helixtrans-62.8-24.2-175.526.5-35.8000113.4N210 G216N210-P212 WeakPolarHBondContact O-CD 3.29Å; P212-G216 WeakPolarHBondContact O-CA 3.36Å; P212-G216 PolarHBondContact O-N 3.49Å
213E80.1Confident81.8Confident85 Ų8556.8 Ų56.840%0.39731%0.313SS..Hα-helixtrans-75.3-44.9177.4-63.2-174.6175.400111.8T142 N211 G216 L217T142-E213 HydrophobicContact CG2-CB 4.01Å; N211-E213 PolarHBondContact O-N 3.28Å; N211-E213 VanDerWaalsContact O-N 3.15Å; N211-E213 PolarHBondContact OD1-N 3.02Å; E213-G216 PolarHBondContact O-N 2.87Å; E213-L217 WeakPolarHBondContact O-CB 3.04Å; E213-L217 PolarHBondContact O-N 3.47Å
214Q83.1Confident82.4Confident50 Ų5054.8 Ų54.823%0.23430%0.298CS..Hα-helixtrans-67.4-43.2177.1-67.3-173.5-6.500111T142 D208 N211 L217 L218T142-Q214 HydrophobicContact CG2-CG 4.34Å; D208-Q214 PolarHBondContact O-OE1 3.47Å; N211-Q214 HydrophobicContact CB-CB 4.3Å; N211-Q214 HydrophobicContact CB-CG 4.29Å; N211-Q214 PolarHBondContact O-N 2.91Å; Q214-L217 PolarHBondContact O-N 3.37Å; Q214-L218 PolarHBondContact O-N 2.91Å; Q214-L218 VanDerWaalsContact O-N 3.15Å
215H85.3Confident83.3Confident47 Ų4753.5 Ų53.522%0.21829%0.292CS..Hα-helixtrans-60.2-45.8172.8-174.3-77.5000111.3N211 L217 L218 Y219 S285N211-H215 WeakPolarHBondContact O-CB 3.46Å; N211-H215 PolarHBondContact O-N 2.71Å; H215-L217 PolarHBondContact O-N 2.83Å; H215-L218 PolarHBondContact O-N 3.32Å; H215-Y219 WeakPolarHBondContact O-CB 3.5Å; H215-Y219 PolarHBondContact O-N 2.81Å; H215-S285 PolarHBondContact NE2-OG 2.94Å
216G86.8Confident84.5Confident16 Ų1647.1 Ų47.117%0.16525%0.253CS..Hα-helixtrans-61.6-39.8177.600000113.1L146 P212 E213 Y219 Q220L146-G216 WeakPolarHBondContact CD1-O 3.31Å; P212-G216 WeakPolarHBondContact O-CA 3.36Å; P212-G216 PolarHBondContact O-N 3.49Å; E213-G216 PolarHBondContact O-N 2.87Å; G216-Y219 PolarHBondContact O-N 3.38Å; G216-Q220 WeakPolarHBondContact O-CB 3.38Å; G216-Q220 VanDerWaalsContact O-CG 3.31Å; G216-Q220 WeakPolarHBondContact O-CG 3.45Å; G216-Q220 PolarHBondContact O-N 2.78Å
217L87.8Confident85.3Confident35 Ų3543.4 Ų43.418%0.18323%0.227CC..Hα-helixtrans-62.8-44.7177.5175.559.5000111.3T142 I145 V149 E213 Q214 H215 Q220 S221T142-L217 HydrophobicContact CG2-CD2 4.34Å; I145-L217 HydrophobicContact CB-CD1 4.4Å; I145-L217 HydrophobicContact CG2-CD1 3.56Å; I145-L217 HydrophobicContact CG2-CD2 4.07Å; I145-L217 HydrophobicContact CG2-CG 4.49Å; V149-L217 HydrophobicContact CG2-CD1 3.99Å; E213-L217 WeakPolarHBondContact O-CB 3.04Å; E213-L217 PolarHBondContact O-N 3.47Å; Q214-L217 PolarHBondContact O-N 3.37Å; H215-L217 PolarHBondContact O-N 2.83Å; L217-Q220 PolarHBondContact O-N 3.07Å; L217-S221 WeakPolarHBondContact O-CB 3.36Å; L217-S221 PolarHBondContact O-N 3.05Å; L217-S221 PolarHBondContact O-OG 3.11Å
218L88.9Confident86.4Confident8 Ų841.1 Ų41.14%0.04222%0.215CC..Hα-helixtrans-69.2-40.7179.7-167.861000112.1L197 A200 L209 Q214 H215 S221 L222 L284 L288L197-L218 HydrophobicContact CD2-CD1 3.67Å; A200-L218 HydrophobicContact CB-CD1 3.83Å; L209-L218 HydrophobicContact CD2-CD2 4.47Å; Q214-L218 PolarHBondContact O-N 2.91Å; Q214-L218 VanDerWaalsContact O-N 3.15Å; H215-L218 PolarHBondContact O-N 3.32Å; L218-S221 PolarHBondContact O-N 3.21Å; L218-L222 PolarHBondContact O-N 3.46Å; L218-L284 HydrophobicContact CD2-CD1 3.73Å; L218-L284 HydrophobicContact CD2-CD2 3.26Å; L218-L284 HydrophobicContact CD2-CG 4.11Å; L218-L284 HydrophobicContact CG-CD1 4.32Å; L218-L288 HydrophobicContact CB-CD1 4.42Å; L218-L288 HydrophobicContact CD2-CD1 3.9Å; L218-L288 HydrophobicContact CG-CD1 4.29Å
219Y90.5Very high87.3Confident93 Ų9337.4 Ų37.437%0.36520%0.195SC..Hα-helixtrans-55.2-53.2172.2-178.5-88.2000111.2H215 G216 S221 L222 Q223 L288 L291H215-Y219 WeakPolarHBondContact O-CB 3.5Å; H215-Y219 PolarHBondContact O-N 2.81Å; G216-Y219 PolarHBondContact O-N 3.38Å; Y219-S221 VanDerWaalsContact C-N 3.31Å; Y219-S221 PolarHBondContact O-N 3.37Å; Y219-L222 PolarHBondContact O-N 2.69Å; Y219-Q223 WeakPolarHBondContact O-CB 3.46Å; Y219-Q223 PolarHBondContact O-N 3.49Å; Y219-L288 VanDerWaalsContact CA-CD2 3.47Å; Y219-L288 HydrophobicContact CD2-CD2 3.86Å; Y219-L288 HydrophobicContact CG-CD2 4.24Å; Y219-L291 HydrophobicContact CD2-CD1 3.5Å; Y219-L291 HydrophobicContact CE2-CD1 3.34Å; Y219-L291 HydrophobicContact CG-CD1 4.3Å
220Q91.3Very high88.2Confident28 Ų2837.3 Ų37.313%0.13120%0.199CC..Hα-helixtrans-67.4-32.3-177.9-70.5-67.3-24.100112.3L146 V149 Q150 N153 G216 L217 L224L146-Q220 HydrophobicContact CD1-CB 4.11Å; L146-Q220 HydrophobicContact CD1-CG 3.73Å; V149-Q220 HydrophobicContact CB-CB 4.47Å; V149-Q220 HydrophobicContact CG1-CB 3.78Å; Q150-Q220 HydrophobicContact CG-CB 4.46Å; Q150-Q220 HydrophobicContact CG-CG 3.7Å; N153-Q220 PolarHBondContact ND2-OE1 2.74Å; G216-Q220 WeakPolarHBondContact O-CB 3.38Å; G216-Q220 VanDerWaalsContact O-CG 3.31Å; G216-Q220 WeakPolarHBondContact O-CG 3.45Å; G216-Q220 PolarHBondContact O-N 2.78Å; L217-Q220 PolarHBondContact O-N 3.07Å; Q220-L224 WeakPolarHBondContact O-CB 3.45Å; Q220-L224 PolarHBondContact O-N 2.76Å
221S92.9Very high89Confident2 Ų230.6 Ų30.61%0.01416%0.163CC..Hα-helixtrans-68.2-43.8175.6-58.60000111.9L217 L218 Y219 L224 V225L217-S221 WeakPolarHBondContact O-CB 3.36Å; L217-S221 PolarHBondContact O-N 3.05Å; L217-S221 PolarHBondContact O-OG 3.11Å; L218-S221 PolarHBondContact O-N 3.21Å; Y219-S221 VanDerWaalsContact C-N 3.31Å; Y219-S221 PolarHBondContact O-N 3.37Å; S221-L224 PolarHBondContact O-N 3.4Å; S221-V225 WeakPolarHBondContact O-CG2 3.49Å; S221-V225 PolarHBondContact O-N 3.19Å; S221-V225 VanDerWaalsContact O-N 3.12Å
222L93.8Very high89.1Confident0 Ų029.3 Ų29.30%016%0.156CC..Hα-helixtrans-65.2-44.7173.9-78.9168.5000111.7L197 L218 Y219 L224 V225 C226 L280 L284 L288 L291 A292L197-L222 HydrophobicContact CD1-CD2 3.87Å; L197-L222 HydrophobicContact CD1-CG 4.49Å; L197-L222 HydrophobicContact CD2-CD2 4.14Å; L197-L222 HydrophobicContact CD2-CG 3.99Å; L218-L222 PolarHBondContact O-N 3.46Å; Y219-L222 PolarHBondContact O-N 2.69Å; L222-L224 VanDerWaalsContact C-N 3.31Å; L222-L224 PolarHBondContact O-N 3.37Å; L222-V225 PolarHBondContact O-N 2.8Å; L222-C226 WeakPolarHBondContact O-CB 3.23Å; L222-C226 PolarHBondContact O-N 3.14Å; L222-L280 HydrophobicContact CD2-CD1 4.29Å; L222-L284 HydrophobicContact CD1-CD1 3.98Å; L222-L288 HydrophobicContact CD1-CB 4.28Å; L222-L288 HydrophobicContact CD1-CD2 4.4Å; L222-L291 HydrophobicContact CB-CB 4.11Å; L222-L291 HydrophobicContact CD1-CB 4.3Å; L222-A292 HydrophobicContact CD2-CB 4.36Å
223Q94.2Very high89.1Confident54 Ų5425.7 Ų25.725%0.25213%0.131SC..Hα-helixtrans-60-42.5176.4-172.668.13500111N153 Y219 V225 C226 S227N153-Q223 WeakPolarHBondContact ND2-CG 3.37Å; Y219-Q223 WeakPolarHBondContact O-CB 3.46Å; Y219-Q223 PolarHBondContact O-N 3.49Å; Q223-V225 PolarHBondContact O-N 3.14Å; Q223-C226 WeakPolarHBondContact O-CB 3.39Å; Q223-C226 PolarHBondContact O-N 3.32Å; Q223-S227 WeakPolarHBondContact O-CB 3.11Å; Q223-S227 PolarHBondContact O-N 3.38Å; Q223-S227 PolarHBondContact O-OG 2.76Å
224L95.2Very high88.7Confident1 Ų125.3 Ų25.31%0.00513%0.131CC..Hα-helixtrans-60.7-45.1176.8176.857.4000112V149 L152 N153 V156 I189 Q220 S221 L222 C226 S227 C228V149-L224 HydrophobicContact CG1-CB 4.46Å; V149-L224 HydrophobicContact CG1-CD2 4.03Å; L152-L224 HydrophobicContact CB-CD1 4.13Å; L152-L224 HydrophobicContact CB-CD2 3.98Å; L152-L224 HydrophobicContact CD1-CD2 4.47Å; N153-L224 HydrophobicContact CB-CB 4.13Å; N153-L224 HydrophobicContact CB-CD1 4.13Å; V156-L224 HydrophobicContact CG2-CD1 4.02Å; I189-L224 HydrophobicContact CG2-CD1 3.7Å; I189-L224 HydrophobicContact CG2-CD2 4.18Å; I189-L224 HydrophobicContact CG2-CG 4.23Å; Q220-L224 WeakPolarHBondContact O-CB 3.45Å; Q220-L224 PolarHBondContact O-N 2.76Å; S221-L224 PolarHBondContact O-N 3.4Å; L222-L224 VanDerWaalsContact C-N 3.31Å; L222-L224 PolarHBondContact O-N 3.37Å; L224-C226 VanDerWaalsContact C-N 3.34Å; L224-S227 PolarHBondContact O-N 2.78Å; L224-C228 WeakPolarHBondContact O-CB 3.23Å; L224-C228 PolarHBondContact O-N 2.7Å; L224-C228 PolarHBondContact O-SG 3.13Å
225V95.2Very high87.7Confident0 Ų023.3 Ų23.30%012%0.124CC..Hα-helixtrans-59-47.6173.8168.60000110.5F190 S193 L194 L197 S221 L222 Q223 S227 C228 L229 F277 C295F190-V225 HydrophobicContact CE2-CG1 4.02Å; S193-V225 WeakPolarHBondContact OG-CG2 3.36Å; L194-V225 HydrophobicContact CD2-CG2 4.37Å; L197-V225 HydrophobicContact CD1-CB 4.49Å; L197-V225 HydrophobicContact CD1-CG2 3.71Å; S221-V225 WeakPolarHBondContact O-CG2 3.49Å; S221-V225 PolarHBondContact O-N 3.19Å; S221-V225 VanDerWaalsContact O-N 3.12Å; L222-V225 PolarHBondContact O-N 2.8Å; Q223-V225 PolarHBondContact O-N 3.14Å; V225-S227 PolarHBondContact O-N 3.21Å; V225-C228 PolarHBondContact O-N 2.96Å; V225-L229 HydrophobicContact CG1-CD1 3.84Å; V225-L229 HydrophobicContact CG1-CG 4.44Å; V225-L229 WeakPolarHBondContact O-CG 3.2Å; V225-L229 PolarHBondContact O-N 3.35Å; V225-F277 HydrophobicContact CG1-CE1 3.8Å; V225-F277 HydrophobicContact CG1-CZ 3.7Å; V225-C295 HydrophobicContact CG1-CB 4.4Å
226C93.2Very high86.2Confident14 Ų1424.9 Ų24.910%0.09514%0.137CC..Hα-helixtrans-60.3-45.4179-166.40000111.8L222 Q223 L224 C228 L229 S230L222-C226 WeakPolarHBondContact O-CB 3.23Å; L222-C226 PolarHBondContact O-N 3.14Å; Q223-C226 WeakPolarHBondContact O-CB 3.39Å; Q223-C226 PolarHBondContact O-N 3.32Å; L224-C226 VanDerWaalsContact C-N 3.34Å; C226-C228 VanDerWaalsContact C-N 3.34Å; C226-C228 PolarHBondContact O-N 3.01Å; C226-L229 PolarHBondContact O-N 2.9Å; C226-S230 VanDerWaalsContact O-CB 3.27Å; C226-S230 WeakPolarHBondContact O-CB 3.48Å; C226-S230 PolarHBondContact O-N 3.12Å; C226-S230 PolarHBondContact O-OG 3.01Å
227S90.9Very high84.3Confident13 Ų1325.9 Ų25.99%0.09114%0.142CC..Hα-helixtrans-61.6-39.3176-61.50000112N153 Q223 L224 V225 Y231N153-S227 PolarHBondContact OD1-OG 2.93Å; Q223-S227 WeakPolarHBondContact O-CB 3.11Å; Q223-S227 PolarHBondContact O-N 3.38Å; Q223-S227 PolarHBondContact O-OG 2.76Å; L224-S227 PolarHBondContact O-N 2.78Å; V225-S227 PolarHBondContact O-N 3.21Å; S227-Y231 PolarHBondContact O-N 2.87Å
228C93.8Very high82.2Confident0 Ų025.6 Ų25.60%015%0.147CC..Hα-helixtrans-67-40.5175.7-68.50000112.2L186 F190 L224 V225 C226 Y231 F233L186-C228 HydrophobicContact CD1-CB 4.28Å; F190-C228 HydrophobicContact CB-CB 4.25Å; F190-C228 HydrophobicContact CD2-CB 3.77Å; F190-C228 HydrophobicContact CG-CB 4.42Å; L224-C228 WeakPolarHBondContact O-CB 3.23Å; L224-C228 PolarHBondContact O-N 2.7Å; L224-C228 PolarHBondContact O-SG 3.13Å; V225-C228 PolarHBondContact O-N 2.96Å; C226-C228 VanDerWaalsContact C-N 3.34Å; C226-C228 PolarHBondContact O-N 3.01Å; C228-Y231 VanDerWaalsContact O-CB 3.29Å; C228-Y231 WeakPolarHBondContact O-CB 3.37Å; C228-Y231 PolarHBondContact O-N 2.97Å; C228-F233 WeakPolarHBondContact O-CZ 3.48Å
229L91.1Very high79.6Confident1 Ų127.5 Ų27.51%0.00516%0.161CC..Hα-helixtrans-73.6-30.5178.9-68.7170.8000112.6F190 V225 C226 Y231 V258 I260 F268 C295 Q298 I299F190-L229 HydrophobicContact CE2-CD1 4.44Å; F190-L229 HydrophobicContact CE2-CD2 3.83Å; F190-L229 HydrophobicContact CE2-CG 3.92Å; F190-L229 HydrophobicContact CZ-CD2 3.93Å; F190-L229 HydrophobicContact CZ-CG 4.48Å; V225-L229 HydrophobicContact CG1-CD1 3.84Å; V225-L229 HydrophobicContact CG1-CG 4.44Å; V225-L229 WeakPolarHBondContact O-CG 3.2Å; V225-L229 PolarHBondContact O-N 3.35Å; C226-L229 PolarHBondContact O-N 2.9Å; L229-Y231 VanDerWaalsContact C-N 3.25Å; L229-V258 WeakPolarHBondContact O-CG1 3.35Å; L229-I260 HydrophobicContact CD2-CD1 4.21Å; L229-F268 HydrophobicContact CD2-CE1 4.11Å; L229-F268 HydrophobicContact CD2-CZ 3.8Å; L229-C295 HydrophobicContact CD1-CB 4.32Å; L229-Q298 HydrophobicContact CB-CB 3.7Å; L229-Q298 HydrophobicContact CB-CG 4.2Å; L229-Q298 HydrophobicContact CD1-CB 4.25Å; L229-I299 HydrophobicContact CD1-CD1 4.2Å; L229-I299 HydrophobicContact CD1-CG1 3.82Å; L229-I299 HydrophobicContact CD2-CG1 4.45Å
230S88.4Confident76.7Confident50 Ų5027.1 Ų27.135%0.3517%0.168SC..THydrogen-bonded Turntrans-86.86.6177.2-50.20000112.9N160 C226N160-S230 PolarHBondContact ND2-O 3.44Å; C226-S230 VanDerWaalsContact O-CB 3.27Å; C226-S230 WeakPolarHBondContact O-CB 3.48Å; C226-S230 PolarHBondContact O-N 3.12Å; C226-S230 PolarHBondContact O-OG 3.01Å
231Y88.8Confident73.6Confident5 Ų532.3 Ų32.32%0.0220%0.197CC..SBendtrans-67.1138178.6-161.6-93.2000110.4V156 M159 N160 S178 F181 R182 L186 S227 C228 L229 F233V156-Y231 HydrophobicContact CG1-CD2 3.94Å; M159-Y231 HydrophobicContact CB-CE2 4.28Å; M159-Y231 PolarHBondContact O-OH 3.33Å; N160-Y231 HydrophobicContact CB-CD2 3.82Å; N160-Y231 HydrophobicContact CB-CE2 3.72Å; S178-Y231 WeakPolarHBondContact CA-OH 3.06Å; S178-Y231 VanDerWaalsContact CB-OH 3.28Å; S178-Y231 WeakPolarHBondContact CB-OH 3.48Å; S178-Y231 PolarHBondContact O-OH 3.25Å; S178-Y231 WeakPolarHBondContact OG-CE1 3.35Å; S178-Y231 PolarHBondContact OG-OH 3Å; F181-Y231 AromaticContact CD1-CE2 3.97Å; F181-Y231 HydrophobicContact CD1-CE2 3.97Å; F181-Y231 AromaticContact CD1-CZ 3.9Å; F181-Y231 HydrophobicContact CE1-CE2 4.05Å; R182-Y231 HydrophobicContact CB-CE1 4.12Å; L186-Y231 HydrophobicContact CD1-CD2 4.2Å; L186-Y231 HydrophobicContact CD1-CG 4.31Å; L186-Y231 HydrophobicContact CD2-CD1 3.66Å; L186-Y231 HydrophobicContact CD2-CD2 4.33Å; L186-Y231 HydrophobicContact CD2-CE1 4.26Å; L186-Y231 HydrophobicContact CD2-CG 3.7Å; S227-Y231 PolarHBondContact O-N 2.87Å; C228-Y231 VanDerWaalsContact O-CB 3.29Å; C228-Y231 WeakPolarHBondContact O-CB 3.37Å; C228-Y231 PolarHBondContact O-N 2.97Å; L229-Y231 VanDerWaalsContact C-N 3.25Å; Y231-F233 WeakPolarHBondContact O-CD2 3.26Å; Y231-F233 WeakPolarHBondContact O-CE2 3.32Å; Y231-F233 PolarHBondContact O-N 3.09Å
232D80.3Confident70.3Confident26 Ų2637.3 Ų37.314%0.13923%0.232CC..  trans-76.189.5174.9-176.44.5000110.5N160 I234 G235 T236 S237N160-D232 PolarHBondContact OD1-N 3.16Å; D232-I234 PolarHBondContact O-N 2.61Å; D232-I234 VanDerWaalsContact O-N 3.12Å; D232-I234 PolarHBondContact OD1-N 2.94Å; D232-G235 VanDerWaalsContact CG-CA 3.46Å; D232-G235 PolarHBondContact OD1-N 3.26Å; D232-G235 WeakPolarHBondContact OD2-CA 3.36Å; D232-G235 PolarHBondContact OD2-N 3.33Å; D232-T236 PolarHBondContact OD1-N 3.42Å; D232-T236 PolarHBondContact OD2-N 3.06Å; D232-S237 WeakPolarHBondContact CB-OG 3.5Å; D232-S237 WeakPolarHBondContact OD2-CA 3.3Å; D232-S237 WeakPolarHBondContact OD2-CB 3.22Å; D232-S237 PolarHBondContact OD2-N 3Å; D232-S237 PolarHBondContact OD2-OG 3.49Å
233F80.5Confident67Low12 Ų1241.8 Ų41.85%0.05326%0.259CS..SBendtrans-63.1-17.6-177.9-64.1-80.8000114.1R182 L186 C228 Y231 V258 Q259 I260 P261 W264R182-F233 WeakPolarHBondContact CD-O 3.26Å; R182-F233 HydrophobicContact CG-CD1 4.01Å; R182-F233 PolarHBondContact NH1-O 3.21Å; L186-F233 HydrophobicContact CD2-CD1 4.28Å; L186-F233 HydrophobicContact CD2-CE1 3.69Å; L186-F233 HydrophobicContact CD2-CZ 4.41Å; C228-F233 WeakPolarHBondContact O-CZ 3.48Å; Y231-F233 WeakPolarHBondContact O-CD2 3.26Å; Y231-F233 WeakPolarHBondContact O-CE2 3.32Å; Y231-F233 PolarHBondContact O-N 3.09Å; F233-V258 HydrophobicContact CD2-CG1 4.07Å; F233-V258 HydrophobicContact CE2-CG1 3.73Å; F233-Q259 VanDerWaalsContact CB-O 3.25Å; F233-Q259 WeakPolarHBondContact CB-O 3.17Å; F233-I260 HydrophobicContact CD2-CG1 4.49Å; F233-I260 HydrophobicContact CE2-CG1 3.96Å; F233-I260 HydrophobicContact CZ-CG1 4.21Å; F233-I260 HydrophobicContact CZ-CG2 4.46Å; F233-P261 HydrophobicContact CD1-CG 3.92Å; F233-P261 HydrophobicContact CE1-CG 4.42Å; F233-W264 HydrophobicContact CE1-CH2 4.04Å; F233-W264 HydrophobicContact CE1-CZ2 4.02Å; F233-W264 HydrophobicContact CE1-CZ3 4.43Å; F233-W264 HydrophobicContact CZ-CH2 4.17Å; F233-W264 HydrophobicContact CZ-CZ3 4.22Å
234I70.9Confident63.7Low76 Ų7643.8 Ų43.839%0.3928%0.275SS..SBendtrans-109.8-27.5-176.1-49.1169000111.7D232 T236 Q259D232-I234 PolarHBondContact O-N 2.61Å; D232-I234 VanDerWaalsContact O-N 3.12Å; D232-I234 PolarHBondContact OD1-N 2.94Å; I234-T236 HydrophobicContact CB-CG2 4.32Å; I234-T236 HydrophobicContact CG2-CG2 3.84Å; I234-Q259 HydrophobicContact CD1-CB 3.72Å; I234-Q259 HydrophobicContact CD1-CG 3.71Å; I234-Q259 VanDerWaalsContact CD1-OE1 3.26Å; I234-Q259 HydrophobicContact CG1-CB 4.04Å
235G62.7Low60.3Low8 Ų850 Ų508%0.08232%0.317CS..SBendtrans87.914.9-172.400000113.6R175 D232R175-G235 PolarHBondContact NE-O 2.88Å; R175-G235 PolarHBondContact NH1-O 3.39Å; R175-G235 PolarHBondContact NH2-O 2.99Å; D232-G235 VanDerWaalsContact CG-CA 3.46Å; D232-G235 PolarHBondContact OD1-N 3.26Å; D232-G235 WeakPolarHBondContact OD2-CA 3.36Å; D232-G235 PolarHBondContact OD2-N 3.33Å
236T52.1Low56.9Low80 Ų8056.7 Ų56.749%0.49135%0.353SS..  trans-85-18.1-178.948.40000114.6D232 I234 G238 S239D232-T236 PolarHBondContact OD1-N 3.42Å; D232-T236 PolarHBondContact OD2-N 3.06Å; I234-T236 HydrophobicContact CB-CG2 4.32Å; I234-T236 HydrophobicContact CG2-CG2 3.84Å; T236-G238 PolarHBondContact O-N 3.35Å; T236-S239 PolarHBondContact O-N 3.35Å
237S47.4Very low53.6Low38 Ų3859.1 Ų59.127%0.26637%0.367SS..G310 helixtrans-69.2-27-171.868.90000114.3D232 S239 V240 N241D232-S237 WeakPolarHBondContact CB-OG 3.5Å; D232-S237 WeakPolarHBondContact OD2-CA 3.3Å; D232-S237 WeakPolarHBondContact OD2-CB 3.22Å; D232-S237 PolarHBondContact OD2-N 3Å; D232-S237 PolarHBondContact OD2-OG 3.49Å; S237-S239 PolarHBondContact O-N 3.48Å; S237-V240 PolarHBondContact O-N 2.98Å; S237-N241 PolarHBondContact O-N 2.83Å
238G43.2Very low50.6Low28 Ų2861.7 Ų61.729%0.28939%0.385SS..G310 helixtrans-58.4-14.8174.200000113.4D162 T236D162-G238 WeakPolarHBondContact OD2-CA 3.3Å; T236-G238 PolarHBondContact O-N 3.35Å
239S35.2Very low47.5Very low49 Ų4963.9 Ų63.934%0.34340%0.4SS..G310 helixtrans-90.5-14.6172.7-164.30000115.2T236 S237 R1230T236-S239 PolarHBondContact O-N 3.35Å; S237-S239 PolarHBondContact O-N 3.48Å; S239-R1230 PolarHBondContact OG-NH2 3.1Å
240V29.2Very low44.4Very low84 Ų8469.3 Ų69.351%0.50943%0.429SS..THydrogen-bonded Turntrans-110.6-39.5-167-173.10000111.7S237S237-V240 PolarHBondContact O-N 2.98Å
241N26.1Very low41.7Very low138 Ų13869.1 Ų69.174%0.73844%0.435SS*.SBendtrans-82.1-21.4-174.1-69.10.2000114.3S237S237-N241 PolarHBondContact O-N 2.83Å
242S24.9Very low39Very low107 Ų10776.2 Ų76.275%0.74847%0.47SS*.SBendtrans-80.8-25.1-179.4163.20000113.1V244S242-V244 PolarHBondContact O-N 3.25Å
243T23.6Very low36.8Very low93 Ų9379.5 Ų79.557%0.57149%0.488SS*.SBendtrans-103.486-179.5570000110.6
244V24.2Very low35Very low97 Ų9780.1 Ų80.159%0.58849%0.492SS*.  trans71.9102.2149.4-170.20000114.3S242 D246 V247S242-V244 PolarHBondContact O-N 3.25Å; V244-D246 HydrophobicContact CG1-CB 3.77Å; V244-D246 PolarHBondContact O-N 3.23Å; V244-V247 HydrophobicContact CG1-CG2 3.89Å
245C23.9Very low34Very low131 Ų13181 Ų8189%0.88550%0.497SS*.SBendtrans-60.320.1161.7-65.30000114.6
246D24.8Very low34Very low141 Ų14183.9 Ų83.975%0.75451%0.512SS*.  trans-151.447.4-167-87.1-35.5000113.3V244V244-D246 HydrophobicContact CG1-CB 3.77Å; V244-D246 PolarHBondContact O-N 3.23Å
247V24.5Very low35Very low64 Ų6482 Ų8239%0.38850%0.501SS..SBendtrans-149.6109.4159.9-162.50000112.6V244 K508V244-V247 HydrophobicContact CG1-CG2 3.89Å; V247-K508 HydrophobicContact CG1-CD 3.7Å
248S27.6Very low36.6Very low68 Ų6880.8 Ų80.848%0.47649%0.492SS..  trans6883.7161.459.70000117.9N250S248-N250 PolarHBondContact O-N 3.02Å
249S27.2Very low38.4Very low45 Ų4583.1 Ų83.132%0.31550%0.495SS..  trans-58.916.2163.664.30000116.3G251 Q571S249-G251 PolarHBondContact O-N 3.46Å; S249-Q571 WeakPolarHBondContact OG-CG 3.34Å; S249-Q571 PolarHBondContact OG-NE2 3.45Å
250N26.4Very low40.9Very low116 Ų11681.4 Ų81.462%0.6248%0.482SS*.SBendtrans-94.777.3179.3-80.314.8000109.7S248S248-N250 PolarHBondContact O-N 3.02Å
251G33Very low43.6Very low46 Ų4678.9 Ų78.947%0.47447%0.467SS..SBendtrans109.7-17.5151.700000117.9S249S249-G251 PolarHBondContact O-N 3.46Å
252M30.6Very low46.5Very low154 Ų15478 Ų7876%0.75947%0.467SS*.SBendtrans-102.3-43.6-175.2-156.964.4-175.500114.3D254 L255M252-D254 PolarHBondContact O-N 3.26Å; M252-L255 PolarHBondContact O-N 3.46Å
253D34.1Very low49.4Very low95 Ų9576.4 Ų76.451%0.50846%0.456SS..THydrogen-bonded Turntrans-65.3-26.9-176-64-22.6000113.1V256D253-V256 WeakPolarHBondContact O-CG2 3.42Å
254D43Very low52.7Low25 Ų2572.1 Ų72.113%0.13443%0.429CS..THydrogen-bonded Turntrans-79.7-18.6-177.2-98.82.7000114.6M252 V256 R400 R452M252-D254 PolarHBondContact O-N 3.26Å; D254-V256 PolarHBondContact O-N 3.47Å; D254-V256 VanDerWaalsContact O-N 3.16Å; D254-R400 PolarHBondContact O-NH1 2.89Å; D254-R400 VanDerWaalsContact O-NH1 3.11Å; D254-R452 IonicContact OD2-CZ 3.8Å; D254-R452 IonicContact OD2-NH1 2.9Å; D254-R452 PolarHBondContact OD2-NH1 3.21Å; D254-R452 IonicContact OD2-NH2 3.57Å; D254-R452 PolarHBondContact OD2-NH2 2.92Å
255L50.3Low55.8Low95 Ų9570.9 Ų70.950%0.49741%0.414SS..  trans-87.642.6176.4-80.2157.5000110.8M252 V257M252-L255 PolarHBondContact O-N 3.46Å; L255-V257 VanDerWaalsContact C-N 3.33Å; L255-V257 PolarHBondContact O-N 3.47Å
256V63.7Low59Low67 Ų6771.2 Ų71.241%0.40640%0.402SS..  trans-62.6100.9166.8-163.60000107.6D253 D254 R400D253-V256 WeakPolarHBondContact O-CG2 3.42Å; D254-V256 PolarHBondContact O-N 3.47Å; D254-V256 VanDerWaalsContact O-N 3.16Å; V256-R400 PolarHBondContact O-NH1 3.46Å
257V72.4Confident62.1Low41 Ų4165.4 Ų65.425%0.24837%0.371CS..  trans-111.2118.7177.8172.50000107.1L255 Q259 S301 R303L255-V257 VanDerWaalsContact C-N 3.33Å; L255-V257 PolarHBondContact O-N 3.47Å; V257-Q259 HydrophobicContact CG1-CG 4.36Å; V257-Q259 PolarHBondContact O-N 3.15Å; V257-S301 WeakPolarHBondContact CA-O 3.25Å; V257-R303 HydrophobicContact CG1-CB 3.35Å; V257-R303 HydrophobicContact CG1-CG 3.58Å
258V80.5Confident65.3Low12 Ų1262.4 Ų62.47%0.07335%0.353CS..BIsolated β-bridgetrans-80.3117.6176.9-174.10000108.5L229 F233 I260 S301 R303L229-V258 WeakPolarHBondContact O-CG1 3.35Å; F233-V258 HydrophobicContact CD2-CG1 4.07Å; F233-V258 HydrophobicContact CE2-CG1 3.73Å; V258-I260 HydrophobicContact CB-CG1 4.49Å; V258-I260 HydrophobicContact CG1-CD1 4.15Å; V258-I260 HydrophobicContact CG1-CG1 3.59Å; V258-I260 PolarHBondContact O-N 3.25Å; V258-S301 PolarHBondContact N-O 2.89Å; V258-R303 PolarHBondContact O-N 2.87Å
259Q81.8Confident68.1Low78 Ų7861.1 Ų61.136%0.36434%0.341SS..  trans-97.466.9-175.9-61-161.740.300111.9F233 I234 V257F233-Q259 VanDerWaalsContact CB-O 3.25Å; F233-Q259 WeakPolarHBondContact CB-O 3.17Å; I234-Q259 HydrophobicContact CD1-CB 3.72Å; I234-Q259 HydrophobicContact CD1-CG 3.71Å; I234-Q259 VanDerWaalsContact CD1-OE1 3.26Å; I234-Q259 HydrophobicContact CG1-CB 4.04Å; V257-Q259 HydrophobicContact CG1-CG 4.36Å; V257-Q259 PolarHBondContact O-N 3.15Å
260I86.8Confident71.1Confident13 Ų1361.9 Ų61.97%0.06734%0.341CS..  trans-64.7139-178.9-52.9-170.3000111.1L229 F233 V258 W264 F268 I302L229-I260 HydrophobicContact CD2-CD1 4.21Å; F233-I260 HydrophobicContact CD2-CG1 4.49Å; F233-I260 HydrophobicContact CE2-CG1 3.96Å; F233-I260 HydrophobicContact CZ-CG1 4.21Å; F233-I260 HydrophobicContact CZ-CG2 4.46Å; V258-I260 HydrophobicContact CB-CG1 4.49Å; V258-I260 HydrophobicContact CG1-CD1 4.15Å; V258-I260 HydrophobicContact CG1-CG1 3.59Å; V258-I260 PolarHBondContact O-N 3.25Å; I260-W264 HydrophobicContact CG2-CB 3.43Å; I260-W264 VanDerWaalsContact CG2-CB 3.43Å; I260-W264 HydrophobicContact CG2-CD2 3.61Å; I260-W264 HydrophobicContact CG2-CE3 3.67Å; I260-W264 HydrophobicContact CG2-CG 3.54Å; I260-F268 HydrophobicContact CD1-CE2 3.51Å; I260-F268 HydrophobicContact CD1-CZ 3.52Å; I260-F268 HydrophobicContact CG2-CE2 4.2Å; I260-I302 HydrophobicContact CD1-CD1 3.58Å; I260-I302 HydrophobicContact CD1-CG1 3.58Å; I260-I302 HydrophobicContact CG1-CG1 4.22Å
261P87Confident73.8Confident31 Ų3160.5 Ų60.520%0.20134%0.341CS..  trans-54.4146.7172.1-27.334.5000113.8F233 S263 W264F233-P261 HydrophobicContact CD1-CG 3.92Å; F233-P261 HydrophobicContact CE1-CG 4.42Å; P261-S263 PolarHBondContact O-N 2.77Å; P261-S263 VanDerWaalsContact O-N 3.15Å; P261-W264 WeakPolarHBondContact O-CB 3.48Å; P261-W264 PolarHBondContact O-N 3.49Å
262T85.7Confident76.3Confident120 Ų12059.5 Ų59.574%0.73633%0.33SS*.G310 helixtrans-60.3-27.1-179.451.40000113.6W264 R265 L306T262-W264 PolarHBondContact O-N 3.19Å; T262-R265 WeakPolarHBondContact O-CB 3.45Å; T262-R265 PolarHBondContact O-N 2.91Å; T262-R265 VanDerWaalsContact O-N 3.16Å; T262-L306 HydrophobicContact CG2-CD1 4.33Å
263S86.9Confident79.3Confident73 Ų7352.1 Ų52.151%0.5129%0.294SS..G310 helixtrans-62.9-21.5176.452.10000113.6P261P261-S263 PolarHBondContact O-N 2.77Å; P261-S263 VanDerWaalsContact O-N 3.15Å
264W91.9Very high82Confident3 Ų347.6 Ų47.61%0.01127%0.27CS..G310 helixtrans-87.6-12.8179.2-65.140.3000112.7L186 L187 F190 F233 I260 P261 T262 Q266 I267 F268L186-W264 HydrophobicContact CB-CZ2 4.31Å; L186-W264 HydrophobicContact CD2-CH2 4.1Å; L186-W264 HydrophobicContact CD2-CZ2 3.96Å; L186-W264 HydrophobicContact CG-CH2 3.89Å; L186-W264 HydrophobicContact CG-CZ2 3.82Å; L187-W264 HydrophobicContact CB-CZ2 3.95Å; L187-W264 HydrophobicContact CD1-CD2 3.79Å; L187-W264 HydrophobicContact CD1-CE3 4.5Å; L187-W264 HydrophobicContact CD1-CG 3.82Å; L187-W264 HydrophobicContact CD1-CZ2 4.27Å; F190-W264 HydrophobicContact CB-CH2 3.77Å; F190-W264 HydrophobicContact CB-CZ3 3.96Å; F190-W264 AromaticContact CD1-CE3 3.75Å; F190-W264 HydrophobicContact CD1-CE3 3.75Å; F190-W264 HydrophobicContact CD1-CH2 4.16Å; F190-W264 AromaticContact CD1-CZ3 3.5Å; F190-W264 HydrophobicContact CD1-CZ3 3.5Å; F190-W264 HydrophobicContact CD2-CZ3 4.02Å; F190-W264 AromaticContact CE1-CE3 3.89Å; F190-W264 HydrophobicContact CE1-CE3 3.89Å; F190-W264 AromaticContact CE1-CZ3 3.88Å; F190-W264 HydrophobicContact CE1-CZ3 3.88Å; F190-W264 HydrophobicContact CE2-CZ3 4.35Å; F190-W264 HydrophobicContact CG-CE3 4.3Å; F190-W264 AromaticContact CG-CH2 3.92Å; F190-W264 HydrophobicContact CG-CH2 3.92Å; F190-W264 AromaticContact CG-CZ3 3.57Å; F190-W264 HydrophobicContact CG-CZ3 3.57Å; F190-W264 HydrophobicContact CZ-CZ3 4.3Å; F233-W264 HydrophobicContact CE1-CH2 4.04Å; F233-W264 HydrophobicContact CE1-CZ2 4.02Å; F233-W264 HydrophobicContact CE1-CZ3 4.43Å; F233-W264 HydrophobicContact CZ-CH2 4.17Å; F233-W264 HydrophobicContact CZ-CZ3 4.22Å; I260-W264 HydrophobicContact CG2-CB 3.43Å; I260-W264 VanDerWaalsContact CG2-CB 3.43Å; I260-W264 HydrophobicContact CG2-CD2 3.61Å; I260-W264 HydrophobicContact CG2-CE3 3.67Å; I260-W264 HydrophobicContact CG2-CG 3.54Å; P261-W264 WeakPolarHBondContact O-CB 3.48Å; P261-W264 PolarHBondContact O-N 3.49Å; T262-W264 PolarHBondContact O-N 3.19Å; W264-Q266 PolarHBondContact O-N 3.41Å; W264-Q266 VanDerWaalsContact O-N 3.08Å; W264-I267 WeakPolarHBondContact O-CB 3.17Å; W264-I267 PolarHBondContact O-N 3.25Å; W264-F268 HydrophobicContact CB-CE2 4.16Å; W264-F268 HydrophobicContact CE3-CE2 4.34Å; W264-F268 HydrophobicContact CE3-CZ 4.44Å
265R90.4Very high84.4Confident71 Ų7148.3 Ų48.327%0.26828%0.275SS..Hα-helixtrans-47-44.9-174.4175.7179.1166.3176.6-10.7113T262 I267 F268 L269 L306 E311T262-R265 WeakPolarHBondContact O-CB 3.45Å; T262-R265 PolarHBondContact O-N 2.91Å; T262-R265 VanDerWaalsContact O-N 3.16Å; R265-I267 PolarHBondContact O-N 3.44Å; R265-F268 PolarHBondContact O-N 3.45Å; R265-L269 HydrophobicContact CG-CD1 3.81Å; R265-L269 HydrophobicContact CG-CG 4.34Å; R265-L269 WeakPolarHBondContact O-CG 3.4Å; R265-L269 PolarHBondContact O-N 2.94Å; R265-L306 HydrophobicContact CB-CD1 4.11Å; R265-L306 HydrophobicContact CB-CG 4.26Å; R265-L306 WeakPolarHBondContact CD-O 3.25Å; R265-L306 HydrophobicContact CG-CG 4.42Å; R265-E311 IonicContact CZ-OE1 3.45Å; R265-E311 IonicContact CZ-OE2 2.76Å; R265-E311 IonicContact NE-OE1 3.2Å; R265-E311 PolarHBondContact NE-OE1 2.91Å; R265-E311 IonicContact NE-OE2 2.58Å; R265-E311 PolarHBondContact NE-OE2 3.21Å; R265-E311 IonicContact NH2-OE1 2.86Å; R265-E311 PolarHBondContact NH2-OE1 2.83Å; R265-E311 IonicContact NH2-OE2 2.89Å; R265-E311 PolarHBondContact NH2-OE2 2.96Å
266Q89.6Confident86.5Confident137 Ų13743.8 Ų43.864%0.6425%0.252SS*.Hα-helixtrans-62.8-26.8-177.3-64.3-61.3-23.700113.5W264 L269 D270W264-Q266 PolarHBondContact O-N 3.41Å; W264-Q266 VanDerWaalsContact O-N 3.08Å; Q266-L269 PolarHBondContact O-N 3.44Å; Q266-D270 PolarHBondContact O-N 2.94Å
267I91.4Very high87.9Confident20 Ų2040.6 Ų40.610%0.10323%0.233CC..Hα-helixtrans-69.5-37.1-179.4-58.2172.6000111.1L187 F190 R191 L194 W264 R265 T273L187-I267 HydrophobicContact CD1-CD1 3.45Å; L187-I267 VanDerWaalsContact CD1-CD1 3.45Å; F190-I267 HydrophobicContact CD1-CD1 3.95Å; F190-I267 HydrophobicContact CE1-CD1 4.01Å; F190-I267 HydrophobicContact CE1-CG2 3.84Å; R191-I267 HydrophobicContact CG-CD1 4.09Å; L194-I267 HydrophobicContact CD1-CG2 3.58Å; W264-I267 WeakPolarHBondContact O-CB 3.17Å; W264-I267 PolarHBondContact O-N 3.25Å; R265-I267 PolarHBondContact O-N 3.44Å; I267-T273 HydrophobicContact CG2-CG2 4.26Å; I267-T273 VanDerWaalsContact O-CB 3.26Å; I267-T273 WeakPolarHBondContact O-CB 3.35Å; I267-T273 PolarHBondContact O-OG1 3.25Å
268F90.6Very high88.9Confident1 Ų139.7 Ų39.70%0.00423%0.225CC..Hα-helixtrans-84.5-17.4179.3-58.4-70.9000113.2F190 L229 I260 W264 R265 I299 I302 F307 F315F190-F268 HydrophobicContact CE1-CZ 4.19Å; F190-F268 HydrophobicContact CZ-CE1 4.23Å; F190-F268 HydrophobicContact CZ-CZ 4.01Å; L229-F268 HydrophobicContact CD2-CE1 4.11Å; L229-F268 HydrophobicContact CD2-CZ 3.8Å; I260-F268 HydrophobicContact CD1-CE2 3.51Å; I260-F268 HydrophobicContact CD1-CZ 3.52Å; I260-F268 HydrophobicContact CG2-CE2 4.2Å; W264-F268 HydrophobicContact CB-CE2 4.16Å; W264-F268 HydrophobicContact CE3-CE2 4.34Å; W264-F268 HydrophobicContact CE3-CZ 4.44Å; R265-F268 PolarHBondContact O-N 3.45Å; F268-I299 HydrophobicContact CD1-CG2 4.4Å; F268-I299 HydrophobicContact CE1-CG1 4.09Å; F268-I302 HydrophobicContact CD1-CD1 3.79Å; F268-I302 HydrophobicContact CD2-CD1 3.98Å; F268-I302 HydrophobicContact CE1-CD1 3.77Å; F268-I302 HydrophobicContact CE2-CD1 3.96Å; F268-I302 HydrophobicContact CG-CD1 3.9Å; F268-I302 HydrophobicContact CZ-CD1 3.85Å; F268-F307 HydrophobicContact CB-CE1 4.21Å; F268-F307 HydrophobicContact CB-CZ 4.11Å; F268-F315 HydrophobicContact CB-CE2 4.07Å
269L88.1Confident89.4Confident41 Ų4144.5 Ų44.522%0.21524%0.242CC..Hα-helixtrans-82.6-18171.5-65.1178.3000112.9R265 Q266 S271 F307 E311R265-L269 HydrophobicContact CG-CD1 3.81Å; R265-L269 HydrophobicContact CG-CG 4.34Å; R265-L269 WeakPolarHBondContact O-CG 3.4Å; R265-L269 PolarHBondContact O-N 2.94Å; Q266-L269 PolarHBondContact O-N 3.44Å; L269-S271 PolarHBondContact O-N 3.2Å; L269-F307 HydrophobicContact CD2-CD1 3.86Å; L269-F307 HydrophobicContact CD2-CE1 4.03Å; L269-F307 HydrophobicContact CG-CD1 4.48Å; L269-F307 HydrophobicContact CG-CE1 4.41Å; L269-E311 HydrophobicContact CD1-CG 4.19Å; L269-E311 VanDerWaalsContact CD1-OE1 3.31Å; L269-E311 WeakPolarHBondContact CD1-OE1 3.48Å; L269-E311 HydrophobicContact CD2-CB 3.73Å; L269-E311 HydrophobicContact CD2-CG 3.91Å
270D88.2Confident89.8Confident60 Ų6040.9 Ų40.932%0.32123%0.225SC..SBendtrans-61.8118.4172-179.78.6000110.1R198 Q266 G272 T273R198-D270 IonicContact CZ-OD2 2.99Å; R198-D270 IonicContact NH1-OD2 3.64Å; R198-D270 IonicContact NH2-OD2 3.1Å; R198-D270 PolarHBondContact NH2-OD2 3.37Å; Q266-D270 PolarHBondContact O-N 2.94Å; D270-G272 PolarHBondContact O-N 3.45Å; D270-G272 PolarHBondContact OD1-N 2.96Å; D270-G272 VanDerWaalsContact OD1-N 3.13Å; D270-T273 PolarHBondContact O-N 3.22Å
271S83.1Confident89.9Confident88 Ų8840.7 Ų40.762%0.61522%0.224SC*.THydrogen-bonded Turntrans-54.2-18.6178.662.80000114.6L269 P275L269-S271 PolarHBondContact O-N 3.2Å; S271-P275 WeakPolarHBondContact O-CD 3.47Å; S271-P275 VanDerWaalsContact O-CG 3.31Å; S271-P275 WeakPolarHBondContact O-CG 3.41Å
272G87Confident89.8Confident24 Ų2446.8 Ų46.825%0.24725%0.247CC..THydrogen-bonded Turntrans-84.5-22.1176.900000115.5D270 L276D270-G272 PolarHBondContact O-N 3.45Å; D270-G272 PolarHBondContact OD1-N 2.96Å; D270-G272 VanDerWaalsContact OD1-N 3.13Å; G272-L276 VanDerWaalsContact O-CB 3.31Å; G272-L276 WeakPolarHBondContact O-CB 3.27Å; G272-L276 PolarHBondContact O-N 3.18Å
273T92.1Very high89.7Confident0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-77.7-53.7-164.9-590000113.5R198 I267 D270 L276 F277R198-T273 PolarHBondContact NH2-OG1 3.15Å; I267-T273 HydrophobicContact CG2-CG2 4.26Å; I267-T273 VanDerWaalsContact O-CB 3.26Å; I267-T273 WeakPolarHBondContact O-CB 3.35Å; I267-T273 PolarHBondContact O-OG1 3.25Å; D270-T273 PolarHBondContact O-N 3.22Å; T273-L276 WeakPolarHBondContact O-CB 3.48Å; T273-L276 PolarHBondContact O-N 3.36Å; T273-F277 HydrophobicContact CG2-CE2 4.27Å; T273-F277 VanDerWaalsContact O-CD2 3.23Å; T273-F277 WeakPolarHBondContact O-CD2 3.44Å
274V92.5Very high89.6Confident0 Ų042.9 Ų42.90%021%0.211CC..Hα-helixtrans-65.4-45.8179.2-179.80000111.4L276 F277 F278 L296 I299 F315 Q318 I319V274-L276 PolarHBondContact O-N 3.24Å; V274-F277 PolarHBondContact O-N 3.34Å; V274-F278 HydrophobicContact CG1-CD2 4.22Å; V274-F278 HydrophobicContact CG1-CE2 3.86Å; V274-L296 HydrophobicContact CG1-CD2 4.25Å; V274-I299 HydrophobicContact CG2-CG2 4.15Å; V274-F315 HydrophobicContact CG2-CD2 3.99Å; V274-F315 HydrophobicContact CG2-CE2 3.55Å; V274-Q318 HydrophobicContact CB-CB 4.32Å; V274-Q318 HydrophobicContact CG1-CB 4.24Å; V274-I319 HydrophobicContact CG1-CG1 3.94Å
275P93.1Very high89.2Confident39 Ų3944.1 Ų44.125%0.25322%0.22SC..Hα-helixtrans-62.6-27178-26.538.9000114.1S271 F277 F278 R279S271-P275 WeakPolarHBondContact O-CD 3.47Å; S271-P275 VanDerWaalsContact O-CG 3.31Å; S271-P275 WeakPolarHBondContact O-CG 3.41Å; P275-F277 VanDerWaalsContact C-N 3.32Å; P275-F277 PolarHBondContact O-N 2.94Å; P275-F278 PolarHBondContact O-N 3.46Å; P275-R279 WeakPolarHBondContact O-CG 3.36Å; P275-R279 PolarHBondContact O-N 3.43Å
276L93.3Very high88.6Confident1 Ų143.8 Ų43.81%0.00523%0.227CC..Hα-helixtrans-54-48.3174.9175.566.2000111.2L197 R198 D201 G272 T273 V274 F278 R279 L280L197-L276 HydrophobicContact CB-CD2 4.24Å; R198-L276 HydrophobicContact CG-CD2 3.76Å; D201-L276 HydrophobicContact CB-CD1 3.67Å; G272-L276 VanDerWaalsContact O-CB 3.31Å; G272-L276 WeakPolarHBondContact O-CB 3.27Å; G272-L276 PolarHBondContact O-N 3.18Å; T273-L276 WeakPolarHBondContact O-CB 3.48Å; T273-L276 PolarHBondContact O-N 3.36Å; V274-L276 PolarHBondContact O-N 3.24Å; L276-F278 PolarHBondContact O-N 3.33Å; L276-R279 PolarHBondContact O-N 3.35Å; L276-L280 HydrophobicContact CD1-CD1 4.22Å; L276-L280 HydrophobicContact CD1-CG 4.26Å; L276-L280 HydrophobicContact CG-CD1 4.03Å; L276-L280 HydrophobicContact CG-CG 4.43Å; L276-L280 VanDerWaalsContact O-CG 3.32Å; L276-L280 WeakPolarHBondContact O-CG 3.21Å; L276-L280 PolarHBondContact O-N 2.69Å
277F94.6Very high88.2Confident0 Ų042 Ų420%022%0.222CC..Hα-helixtrans-66.7-37.1-177.9-66-80.2000112.7L194 L197 V225 T273 V274 P275 L280 Y281 C295 L296 I299L194-F277 HydrophobicContact CD2-CE2 4.17Å; L194-F277 HydrophobicContact CD2-CZ 3.74Å; L197-F277 HydrophobicContact CD1-CE1 4.07Å; V225-F277 HydrophobicContact CG1-CE1 3.8Å; V225-F277 HydrophobicContact CG1-CZ 3.7Å; T273-F277 HydrophobicContact CG2-CE2 4.27Å; T273-F277 VanDerWaalsContact O-CD2 3.23Å; T273-F277 WeakPolarHBondContact O-CD2 3.44Å; V274-F277 PolarHBondContact O-N 3.34Å; P275-F277 VanDerWaalsContact C-N 3.32Å; P275-F277 PolarHBondContact O-N 2.94Å; F277-L280 PolarHBondContact O-N 3.45Å; F277-Y281 WeakPolarHBondContact O-CB 3.34Å; F277-Y281 PolarHBondContact O-N 2.64Å; F277-C295 HydrophobicContact CD1-CB 3.71Å; F277-C295 HydrophobicContact CE1-CB 3.68Å; F277-C295 HydrophobicContact CG-CB 4.49Å; F277-C295 HydrophobicContact CZ-CB 4.44Å; F277-L296 HydrophobicContact CB-CD1 4.06Å; F277-L296 HydrophobicContact CB-CD2 3.77Å; F277-L296 HydrophobicContact CB-CG 3.7Å; F277-I299 HydrophobicContact CD2-CD1 3.63Å; F277-I299 HydrophobicContact CE2-CD1 3.52Å; F277-I299 HydrophobicContact CG-CD1 4.35Å; F277-I299 HydrophobicContact CZ-CD1 4.15Å
278F92.9Very high87.9Confident21 Ų2141 Ų419%0.09222%0.217CC..Hα-helixtrans-65.9-38.2172.6-73.4-73.7000112.3V274 P275 L276 K282 L296 I319 I326V274-F278 HydrophobicContact CG1-CD2 4.22Å; V274-F278 HydrophobicContact CG1-CE2 3.86Å; P275-F278 PolarHBondContact O-N 3.46Å; L276-F278 PolarHBondContact O-N 3.33Å; F278-K282 PolarHBondContact O-N 2.77Å; F278-L296 HydrophobicContact CD1-CD1 3.81Å; F278-L296 HydrophobicContact CD2-CD1 4.25Å; F278-L296 HydrophobicContact CD2-CD2 3.94Å; F278-L296 HydrophobicContact CE1-CD1 3.69Å; F278-L296 HydrophobicContact CE2-CD1 4.14Å; F278-L296 HydrophobicContact CE2-CD2 3.54Å; F278-L296 HydrophobicContact CE2-CG 4.5Å; F278-L296 HydrophobicContact CG-CD1 4.1Å; F278-L296 HydrophobicContact CZ-CD1 3.87Å; F278-L296 HydrophobicContact CZ-CD2 3.87Å; F278-L296 HydrophobicContact CZ-CG 4.47Å; F278-I319 HydrophobicContact CZ-CG2 4.47Å; F278-I326 HydrophobicContact CD1-CD1 3.86Å; F278-I326 HydrophobicContact CD1-CG1 4.36Å; F278-I326 HydrophobicContact CE1-CD1 3.8Å
279R90.8Very high87.8Confident114 Ų11441 Ų4143%0.4322%0.217SC..Hα-helixtrans-65.4-42.5173.6-69.8-166.3-53-1271.5111.8D201 P275 L276 K282 K283D201-R279 IonicContact OD2-CZ 2.71Å; D201-R279 IonicContact OD2-NE 3.82Å; D201-R279 PolarHBondContact OD2-NE 3.01Å; D201-R279 IonicContact OD2-NH2 3.37Å; D201-R279 PolarHBondContact OD2-NH2 3.41Å; P275-R279 WeakPolarHBondContact O-CG 3.36Å; P275-R279 PolarHBondContact O-N 3.43Å; L276-R279 PolarHBondContact O-N 3.35Å; R279-K282 PolarHBondContact O-N 2.97Å; R279-K283 VanDerWaalsContact O-CG 3.31Å; R279-K283 WeakPolarHBondContact O-CG 3.38Å; R279-K283 PolarHBondContact O-N 3.45Å
280L89.4Confident87.9Confident1 Ų139.7 Ų39.71%0.00521%0.211CC..Hα-helixtrans-62.6-48.9176.3-69.8174.4000110.7L197 D201 L222 L276 F277 K282 K283 L284L197-L280 HydrophobicContact CB-CD1 4.26Å; L197-L280 HydrophobicContact CD1-CD1 4.25Å; L197-L280 HydrophobicContact CD2-CD1 4.38Å; D201-L280 HydrophobicContact CB-CD2 4.15Å; L222-L280 HydrophobicContact CD2-CD1 4.29Å; L276-L280 HydrophobicContact CD1-CD1 4.22Å; L276-L280 HydrophobicContact CD1-CG 4.26Å; L276-L280 HydrophobicContact CG-CD1 4.03Å; L276-L280 HydrophobicContact CG-CG 4.43Å; L276-L280 VanDerWaalsContact O-CG 3.32Å; L276-L280 WeakPolarHBondContact O-CG 3.21Å; L276-L280 PolarHBondContact O-N 2.69Å; F277-L280 PolarHBondContact O-N 3.45Å; L280-K282 PolarHBondContact O-N 3.32Å; L280-K283 PolarHBondContact O-N 2.89Å; L280-K283 VanDerWaalsContact O-N 3.11Å; L280-L284 HydrophobicContact CB-CD1 3.92Å; L280-L284 HydrophobicContact CB-CG 4.49Å; L280-L284 HydrophobicContact CD2-CD1 4.18Å; L280-L284 WeakPolarHBondContact O-CB 3.25Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 2.86Å
281Y89Confident88Confident9 Ų937.7 Ų37.74%0.03520%0.2CC..Hα-helixtrans-49.6-45.5175.4167.8-100.5000112.7F277 K283 L293 I326 L384F277-Y281 WeakPolarHBondContact O-CB 3.34Å; F277-Y281 PolarHBondContact O-N 2.64Å; Y281-K283 PolarHBondContact O-N 3.49Å; Y281-L293 HydrophobicContact CD2-CD1 3.92Å; Y281-L293 HydrophobicContact CD2-CD2 3.97Å; Y281-L293 HydrophobicContact CD2-CG 3.64Å; Y281-L293 HydrophobicContact CE2-CD1 3.58Å; Y281-L293 HydrophobicContact CE2-CD2 4.19Å; Y281-L293 HydrophobicContact CE2-CG 3.85Å; Y281-L293 HydrophobicContact CG-CD2 4.37Å; Y281-L293 HydrophobicContact CG-CG 4.46Å; Y281-I326 HydrophobicContact CD1-CD1 3.85Å; Y281-I326 HydrophobicContact CD1-CG1 3.97Å; Y281-I326 HydrophobicContact CE1-CD1 3.76Å; Y281-I326 HydrophobicContact CE1-CG1 3.67Å; Y281-I326 HydrophobicContact CE1-CG2 4.24Å; Y281-L384 HydrophobicContact CE2-CB 4.18Å
282K85.9Confident88.4Confident160 Ų16033.5 Ų33.570%0.69617%0.17SC*.Hα-helixtrans-69.2-30.8-176.9-175.6172.4-178.9173.60114.1F278 R279 L280F278-K282 PolarHBondContact O-N 2.77Å; R279-K282 PolarHBondContact O-N 2.97Å; L280-K282 PolarHBondContact O-N 3.32Å
283K83.5Confident88.7Confident100 Ų10032.3 Ų32.344%0.43516%0.159SC..Hα-helixtrans-107.5-10.9-168.3-52.9177.8-166164.70114.1D201 L204 R279 L280 Y281D201-K283 IonicContact OD1-NZ 3.99Å; D201-K283 PolarHBondContact OD1-NZ 3.05Å; L204-K283 HydrophobicContact CD2-CB 3.44Å; L204-K283 VanDerWaalsContact CD2-CB 3.44Å; L204-K283 HydrophobicContact CD2-CD 3.11Å; L204-K283 HydrophobicContact CD2-CG 3.94Å; R279-K283 VanDerWaalsContact O-CG 3.31Å; R279-K283 WeakPolarHBondContact O-CG 3.38Å; R279-K283 PolarHBondContact O-N 3.45Å; L280-K283 PolarHBondContact O-N 2.89Å; L280-K283 VanDerWaalsContact O-N 3.11Å; Y281-K283 PolarHBondContact O-N 3.49Å
284L84.8Confident88.7Confident10 Ų1033.3 Ų33.35%0.05217%0.165CC..SBendtrans-92.9168.4-177.6-63.7-179.2000113.3L204 L218 L222 L280 L288L204-L284 HydrophobicContact CD1-CD2 3.99Å; L218-L284 HydrophobicContact CD2-CD1 3.73Å; L218-L284 HydrophobicContact CD2-CD2 3.26Å; L218-L284 HydrophobicContact CD2-CG 4.11Å; L218-L284 HydrophobicContact CG-CD1 4.32Å; L222-L284 HydrophobicContact CD1-CD1 3.98Å; L280-L284 HydrophobicContact CB-CD1 3.92Å; L280-L284 HydrophobicContact CB-CG 4.49Å; L280-L284 HydrophobicContact CD2-CD1 4.18Å; L280-L284 WeakPolarHBondContact O-CB 3.25Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 2.86Å; L284-L288 HydrophobicContact CB-CB 3.93Å; L284-L288 HydrophobicContact CB-CD1 4.47Å; L284-L288 HydrophobicContact CD1-CB 4.06Å
285S81.8Confident88.7Confident29 Ų2933.3 Ų33.320%0.20317%0.165CC..  trans-62.8157.8173.155.60000111.5H215 D287 L288 S289H215-S285 PolarHBondContact NE2-OG 2.94Å; S285-D287 VanDerWaalsContact C-N 3.32Å; S285-D287 PolarHBondContact O-N 2.78Å; S285-L288 PolarHBondContact O-N 3.28Å; S285-L288 WeakPolarHBondContact OG-CD1 3.4Å; S285-L288 WeakPolarHBondContact OG-CG 3.18Å; S285-S289 WeakPolarHBondContact O-CB 3.25Å; S285-S289 PolarHBondContact O-N 3.34Å
286P78.4Confident88.8Confident65 Ų6531.5 Ų31.542%0.42215%0.154SC..Hα-helixtrans-49.4-47.8-179.5-29.636.2000113.9L288 S289 V290P286-L288 PolarHBondContact O-N 3.47Å; P286-S289 WeakPolarHBondContact O-CB 3.3Å; P286-S289 PolarHBondContact O-N 2.85Å; P286-S289 VanDerWaalsContact O-N 3.16Å; P286-S289 PolarHBondContact O-OG 3.25Å; P286-V290 WeakPolarHBondContact O-CG2 3.14Å; P286-V290 PolarHBondContact O-N 3.01Å
287D80.6Confident88.7Confident99 Ų9931.6 Ų31.653%0.52915%0.154SC..Hα-helixtrans-64.3-39.4-176.3-50.2-12.7000112.3S285S285-D287 VanDerWaalsContact C-N 3.32Å; S285-D287 PolarHBondContact O-N 2.78Å
288L86.5Confident88.5Confident0 Ų033.5 Ų33.50%016%0.163CC..Hα-helixtrans-74.3-30.1176.8-64.8178.4000112.4L218 Y219 L222 L284 S285 P286 V290 L291 A292L218-L288 HydrophobicContact CB-CD1 4.42Å; L218-L288 HydrophobicContact CD2-CD1 3.9Å; L218-L288 HydrophobicContact CG-CD1 4.29Å; Y219-L288 VanDerWaalsContact CA-CD2 3.47Å; Y219-L288 HydrophobicContact CD2-CD2 3.86Å; Y219-L288 HydrophobicContact CG-CD2 4.24Å; L222-L288 HydrophobicContact CD1-CB 4.28Å; L222-L288 HydrophobicContact CD1-CD2 4.4Å; L284-L288 HydrophobicContact CB-CB 3.93Å; L284-L288 HydrophobicContact CB-CD1 4.47Å; L284-L288 HydrophobicContact CD1-CB 4.06Å; S285-L288 PolarHBondContact O-N 3.28Å; S285-L288 WeakPolarHBondContact OG-CD1 3.4Å; S285-L288 WeakPolarHBondContact OG-CG 3.18Å; P286-L288 PolarHBondContact O-N 3.47Å; L288-V290 VanDerWaalsContact C-N 3.31Å; L288-V290 PolarHBondContact O-N 2.82Å; L288-L291 PolarHBondContact O-N 3.36Å; L288-A292 PolarHBondContact O-N 2.85Å; L288-A292 VanDerWaalsContact O-N 3.13Å
289S87.9Confident88.4Confident0 Ų032.6 Ų32.60%016%0.159CC..Hα-helixtrans-65.9-35.3178.880.30000112.1S285 P286 L291 A292 L293 L384S285-S289 WeakPolarHBondContact O-CB 3.25Å; S285-S289 PolarHBondContact O-N 3.34Å; P286-S289 WeakPolarHBondContact O-CB 3.3Å; P286-S289 PolarHBondContact O-N 2.85Å; P286-S289 VanDerWaalsContact O-N 3.16Å; P286-S289 PolarHBondContact O-OG 3.25Å; S289-L291 VanDerWaalsContact C-N 3.35Å; S289-L291 PolarHBondContact O-N 3.09Å; S289-A292 PolarHBondContact O-N 3.05Å; S289-L293 PolarHBondContact O-N 2.9Å; S289-L384 VanDerWaalsContact OG-CD2 3.28Å; S289-L384 WeakPolarHBondContact OG-CD2 3.48Å
290V90.3Very high88.4Confident14 Ų1427.1 Ų27.19%0.08514%0.139CC..Hα-helixtrans-59.5-47.6174.2179.70000109.9P286 L288 A292 L293 S294 E389 A390 E393P286-V290 WeakPolarHBondContact O-CG2 3.14Å; P286-V290 PolarHBondContact O-N 3.01Å; L288-V290 VanDerWaalsContact C-N 3.31Å; L288-V290 PolarHBondContact O-N 2.82Å; V290-A292 VanDerWaalsContact C-N 3.33Å; V290-A292 PolarHBondContact O-N 3.09Å; V290-L293 CarbonylContact O-C 3.55Å; V290-L293 WeakPolarHBondContact O-CA 3.03Å; V290-L293 WeakPolarHBondContact O-CB 3.5Å; V290-L293 PolarHBondContact O-N 3.3Å; V290-S294 PolarHBondContact O-N 2.58Å; V290-S294 PolarHBondContact O-OG 3.4Å; V290-E389 HydrophobicContact CG1-CB 4.03Å; V290-E389 HydrophobicContact CG2-CB 3.9Å; V290-A390 HydrophobicContact CG2-CB 3.91Å; V290-E393 HydrophobicContact CG1-CG 3.87Å
291L89.6Confident88.3Confident17 Ų1727.1 Ų27.19%0.08914%0.138CC..Hα-helixtrans-61.9-37.7177.7-84.2158.8000113.5Y219 L222 L288 S289 L293 S294 C295Y219-L291 HydrophobicContact CD2-CD1 3.5Å; Y219-L291 HydrophobicContact CE2-CD1 3.34Å; Y219-L291 HydrophobicContact CG-CD1 4.3Å; L222-L291 HydrophobicContact CB-CB 4.11Å; L222-L291 HydrophobicContact CD1-CB 4.3Å; L288-L291 PolarHBondContact O-N 3.36Å; S289-L291 VanDerWaalsContact C-N 3.35Å; S289-L291 PolarHBondContact O-N 3.09Å; L291-L293 VanDerWaalsContact C-N 3.32Å; L291-S294 PolarHBondContact O-N 3.3Å; L291-C295 PolarHBondContact O-N 2.83Å; L291-C295 PolarHBondContact O-SG 3.17Å
292A92.8Very high88.3Confident0 Ų026.7 Ų26.70%014%0.137CC..Hα-helixtrans-64-38.5173.700000111.6L222 L288 S289 V290 C295 L296L222-A292 HydrophobicContact CD2-CB 4.36Å; L288-A292 PolarHBondContact O-N 2.85Å; L288-A292 VanDerWaalsContact O-N 3.13Å; S289-A292 PolarHBondContact O-N 3.05Å; V290-A292 VanDerWaalsContact C-N 3.33Å; V290-A292 PolarHBondContact O-N 3.09Å; A292-C295 PolarHBondContact O-N 2.89Å; A292-L296 PolarHBondContact O-N 3.49Å; A292-L296 VanDerWaalsContact O-N 3.15Å
293L92.1Very high88.2Confident0 Ų024.5 Ų24.50%012%0.124CC..Hα-helixtrans-66.2-42.6172.3-71.1174.4000112Y281 S289 V290 L291 C295 L296 V297 I326 A390 E393 F394 L397Y281-L293 HydrophobicContact CD2-CD1 3.92Å; Y281-L293 HydrophobicContact CD2-CD2 3.97Å; Y281-L293 HydrophobicContact CD2-CG 3.64Å; Y281-L293 HydrophobicContact CE2-CD1 3.58Å; Y281-L293 HydrophobicContact CE2-CD2 4.19Å; Y281-L293 HydrophobicContact CE2-CG 3.85Å; Y281-L293 HydrophobicContact CG-CD2 4.37Å; Y281-L293 HydrophobicContact CG-CG 4.46Å; S289-L293 PolarHBondContact O-N 2.9Å; V290-L293 CarbonylContact O-C 3.55Å; V290-L293 WeakPolarHBondContact O-CA 3.03Å; V290-L293 WeakPolarHBondContact O-CB 3.5Å; V290-L293 PolarHBondContact O-N 3.3Å; L291-L293 VanDerWaalsContact C-N 3.32Å; L293-C295 VanDerWaalsContact C-N 3.27Å; L293-C295 PolarHBondContact O-N 3.25Å; L293-L296 HydrophobicContact CD2-CD1 4.23Å; L293-L296 CarbonylContact O-C 3.57Å; L293-L296 WeakPolarHBondContact O-CA 3.41Å; L293-L296 WeakPolarHBondContact O-CB 3.17Å; L293-L296 PolarHBondContact O-N 3.2Å; L293-V297 WeakPolarHBondContact O-CG2 3.44Å; L293-V297 PolarHBondContact O-N 2.67Å; L293-I326 HydrophobicContact CD2-CD1 4.01Å; L293-A390 HydrophobicContact CD1-CB 4.18Å; L293-A390 WeakPolarHBondContact CD1-O 3.38Å; L293-E393 HydrophobicContact CB-CB 3.84Å; L293-E393 HydrophobicContact CD1-CB 4.32Å; L293-F394 HydrophobicContact CD1-CB 4.21Å; L293-F394 HydrophobicContact CD2-CD2 4.32Å; L293-L397 HydrophobicContact CD2-CD2 4.35Å
294S91.8Very high88Confident20 Ų2026.2 Ų26.214%0.1413%0.128CC..Hα-helixtrans-59.8-38.6176.1-58.30000112.2V290 L291 L296 V297 Q298 E393V290-S294 PolarHBondContact O-N 2.58Å; V290-S294 PolarHBondContact O-OG 3.4Å; L291-S294 PolarHBondContact O-N 3.3Å; S294-L296 VanDerWaalsContact C-N 3.35Å; S294-L296 PolarHBondContact O-N 2.94Å; S294-V297 WeakPolarHBondContact O-CB 3.45Å; S294-V297 PolarHBondContact O-N 3.3Å; S294-Q298 WeakPolarHBondContact O-CG 3.29Å; S294-Q298 PolarHBondContact O-N 2.91Å; S294-Q298 VanDerWaalsContact O-N 3.1Å; S294-E393 VanDerWaalsContact CA-OE2 3.25Å; S294-E393 WeakPolarHBondContact CA-OE2 3.39Å; S294-E393 WeakPolarHBondContact CB-OE2 3.39Å; S294-E393 PolarHBondContact OG-OE2 3.33Å
295C93.9Very high88Confident0 Ų029.9 Ų29.90%015%0.154CC..Hα-helixtrans-60.7-44.3171.1-65.10000111.5V225 L229 F277 L291 A292 L293 V297 Q298 I299V225-C295 HydrophobicContact CG1-CB 4.4Å; L229-C295 HydrophobicContact CD1-CB 4.32Å; F277-C295 HydrophobicContact CD1-CB 3.71Å; F277-C295 HydrophobicContact CE1-CB 3.68Å; F277-C295 HydrophobicContact CG-CB 4.49Å; F277-C295 HydrophobicContact CZ-CB 4.44Å; L291-C295 PolarHBondContact O-N 2.83Å; L291-C295 PolarHBondContact O-SG 3.17Å; A292-C295 PolarHBondContact O-N 2.89Å; L293-C295 VanDerWaalsContact C-N 3.27Å; L293-C295 PolarHBondContact O-N 3.25Å; C295-V297 VanDerWaalsContact C-N 3.34Å; C295-V297 PolarHBondContact O-N 2.89Å; C295-Q298 PolarHBondContact O-N 3.42Å; C295-I299 WeakPolarHBondContact O-CB 3.05Å; C295-I299 WeakPolarHBondContact O-CG1 3.26Å; C295-I299 PolarHBondContact O-N 3.33Å
296L93.8Very high88.2Confident2 Ų229.1 Ų29.11%0.0115%0.148CC..Hα-helixtrans-63.1-37.3175.9-74.6166000112.6V274 F277 F278 A292 L293 S294 Q298 I299 S300 L397V274-L296 HydrophobicContact CG1-CD2 4.25Å; F277-L296 HydrophobicContact CB-CD1 4.06Å; F277-L296 HydrophobicContact CB-CD2 3.77Å; F277-L296 HydrophobicContact CB-CG 3.7Å; F278-L296 HydrophobicContact CD1-CD1 3.81Å; F278-L296 HydrophobicContact CD2-CD1 4.25Å; F278-L296 HydrophobicContact CD2-CD2 3.94Å; F278-L296 HydrophobicContact CE1-CD1 3.69Å; F278-L296 HydrophobicContact CE2-CD1 4.14Å; F278-L296 HydrophobicContact CE2-CD2 3.54Å; F278-L296 HydrophobicContact CE2-CG 4.5Å; F278-L296 HydrophobicContact CG-CD1 4.1Å; F278-L296 HydrophobicContact CZ-CD1 3.87Å; F278-L296 HydrophobicContact CZ-CD2 3.87Å; F278-L296 HydrophobicContact CZ-CG 4.47Å; A292-L296 PolarHBondContact O-N 3.49Å; A292-L296 VanDerWaalsContact O-N 3.15Å; L293-L296 HydrophobicContact CD2-CD1 4.23Å; L293-L296 CarbonylContact O-C 3.57Å; L293-L296 WeakPolarHBondContact O-CA 3.41Å; L293-L296 WeakPolarHBondContact O-CB 3.17Å; L293-L296 PolarHBondContact O-N 3.2Å; S294-L296 VanDerWaalsContact C-N 3.35Å; S294-L296 PolarHBondContact O-N 2.94Å; L296-Q298 VanDerWaalsContact C-N 3.35Å; L296-Q298 PolarHBondContact O-N 3.13Å; L296-I299 PolarHBondContact O-N 3.01Å; L296-S300 WeakPolarHBondContact O-CB 3.19Å; L296-S300 PolarHBondContact O-N 3.38Å; L296-S300 PolarHBondContact O-OG 3.49Å; L296-S300 VanDerWaalsContact O-OG 3.11Å; L296-L397 HydrophobicContact CB-CD1 4.13Å; L296-L397 HydrophobicContact CB-CD2 4.03Å; L296-L397 HydrophobicContact CD1-CD2 4.47Å; L296-L397 WeakPolarHBondContact O-CD1 2.8Å
297V91.9Very high88.7Confident2 Ų226.7 Ų26.71%0.01213%0.131CC..Hα-helixtrans-58.1-48.3173.3171.90000110L293 S294 C295 S300 S301 E393 L396 L397 R400L293-V297 WeakPolarHBondContact O-CG2 3.44Å; L293-V297 PolarHBondContact O-N 2.67Å; S294-V297 WeakPolarHBondContact O-CB 3.45Å; S294-V297 PolarHBondContact O-N 3.3Å; C295-V297 VanDerWaalsContact C-N 3.34Å; C295-V297 PolarHBondContact O-N 2.89Å; V297-S300 PolarHBondContact O-N 3.42Å; V297-S300 PolarHBondContact O-OG 2.81Å; V297-S301 WeakPolarHBondContact O-CB 3.48Å; V297-S301 PolarHBondContact O-N 3.41Å; V297-S301 VanDerWaalsContact O-N 3.11Å; V297-S301 PolarHBondContact O-OG 3.21Å; V297-E393 WeakPolarHBondContact CG2-O 3.27Å; V297-L396 HydrophobicContact CG1-CD2 3.64Å; V297-L396 HydrophobicContact CG1-CG 3.75Å; V297-L396 HydrophobicContact CG2-CB 4.23Å; V297-L396 HydrophobicContact CG2-CD2 4.28Å; V297-L396 HydrophobicContact CG2-CG 4.24Å; V297-L397 HydrophobicContact CG2-CB 3.84Å; V297-R400 HydrophobicContact CG1-CG 4.24Å
298Q90.5Very high89Confident41 Ų4124.8 Ų24.819%0.19212%0.123CC..Hα-helixtrans-66.3-40.5178.3-59.5-54.8-27.900112.3L229 S294 C295 L296 S301L229-Q298 HydrophobicContact CB-CB 3.7Å; L229-Q298 HydrophobicContact CB-CG 4.2Å; L229-Q298 HydrophobicContact CD1-CB 4.25Å; S294-Q298 WeakPolarHBondContact O-CG 3.29Å; S294-Q298 PolarHBondContact O-N 2.91Å; S294-Q298 VanDerWaalsContact O-N 3.1Å; C295-Q298 PolarHBondContact O-N 3.42Å; L296-Q298 VanDerWaalsContact C-N 3.35Å; L296-Q298 PolarHBondContact O-N 3.13Å; Q298-S301 WeakPolarHBondContact O-CA 3.18Å; Q298-S301 WeakPolarHBondContact O-CB 3.33Å; Q298-S301 PolarHBondContact O-N 2.91Å; Q298-S301 VanDerWaalsContact O-N 3.11Å
299I91.6Very high88.8Confident1 Ų131 Ų311%0.00516%0.156CC..Hα-helixtrans-63.3-44.3177.3-69.3166.8000111.3L229 F268 V274 F277 C295 L296 S301 I302 F315L229-I299 HydrophobicContact CD1-CD1 4.2Å; L229-I299 HydrophobicContact CD1-CG1 3.82Å; L229-I299 HydrophobicContact CD2-CG1 4.45Å; F268-I299 HydrophobicContact CD1-CG2 4.4Å; F268-I299 HydrophobicContact CE1-CG1 4.09Å; V274-I299 HydrophobicContact CG2-CG2 4.15Å; F277-I299 HydrophobicContact CD2-CD1 3.63Å; F277-I299 HydrophobicContact CE2-CD1 3.52Å; F277-I299 HydrophobicContact CG-CD1 4.35Å; F277-I299 HydrophobicContact CZ-CD1 4.15Å; C295-I299 WeakPolarHBondContact O-CB 3.05Å; C295-I299 WeakPolarHBondContact O-CG1 3.26Å; C295-I299 PolarHBondContact O-N 3.33Å; L296-I299 PolarHBondContact O-N 3.01Å; I299-S301 PolarHBondContact O-N 3.07Å; I299-I302 HydrophobicContact CG2-CD1 4.38Å; I299-I302 WeakPolarHBondContact O-CB 3.32Å; I299-I302 WeakPolarHBondContact O-CD1 3.35Å; I299-I302 WeakPolarHBondContact O-CG1 3.26Å; I299-I302 PolarHBondContact O-N 2.73Å; I299-F315 HydrophobicContact CG2-CE2 3.93Å; I299-F315 HydrophobicContact CG2-CZ 3.58Å
300S89.6Confident88.7Confident0 Ų035 Ų350%018%0.184CC..Hα-helixtrans-67.5-18.8176.168.30000112.9L296 V297 L397 R400 N404L296-S300 WeakPolarHBondContact O-CB 3.19Å; L296-S300 PolarHBondContact O-N 3.38Å; L296-S300 PolarHBondContact O-OG 3.49Å; L296-S300 VanDerWaalsContact O-OG 3.11Å; V297-S300 PolarHBondContact O-N 3.42Å; V297-S300 PolarHBondContact O-OG 2.81Å; S300-L397 WeakPolarHBondContact OG-CD1 3.44Å; S300-R400 WeakPolarHBondContact OG-CB 3.33Å; S300-N404 PolarHBondContact O-ND2 3.5Å
301S88.6Confident88.7Confident0 Ų036 Ų360%019%0.188CC..THydrogen-bonded Turntrans-85-1.6178.7-60.50000114V257 V258 V297 Q298 I299 R303 R400 N404V257-S301 WeakPolarHBondContact CA-O 3.25Å; V258-S301 PolarHBondContact N-O 2.89Å; V297-S301 WeakPolarHBondContact O-CB 3.48Å; V297-S301 PolarHBondContact O-N 3.41Å; V297-S301 VanDerWaalsContact O-N 3.11Å; V297-S301 PolarHBondContact O-OG 3.21Å; Q298-S301 WeakPolarHBondContact O-CA 3.18Å; Q298-S301 WeakPolarHBondContact O-CB 3.33Å; Q298-S301 PolarHBondContact O-N 2.91Å; Q298-S301 VanDerWaalsContact O-N 3.11Å; I299-S301 PolarHBondContact O-N 3.07Å; S301-R303 PolarHBondContact O-N 3.32Å; S301-R400 VanDerWaalsContact OG-CD 3.31Å; S301-R400 WeakPolarHBondContact OG-CD 3.45Å; S301-R400 WeakPolarHBondContact OG-CG 3.14Å; S301-N404 VanDerWaalsContact CA-ND2 3.27Å; S301-N404 WeakPolarHBondContact CA-ND2 3.38Å
302I88.2Confident88.5Confident1 Ų135.6 Ų35.61%0.00519%0.185CC..BIsolated β-bridgetrans-62.2133.8179.8-65.5170.4000111.4I260 F268 I299 R304 L306 F307 F315I260-I302 HydrophobicContact CD1-CD1 3.58Å; I260-I302 HydrophobicContact CD1-CG1 3.58Å; I260-I302 HydrophobicContact CG1-CG1 4.22Å; F268-I302 HydrophobicContact CD1-CD1 3.79Å; F268-I302 HydrophobicContact CD2-CD1 3.98Å; F268-I302 HydrophobicContact CE1-CD1 3.77Å; F268-I302 HydrophobicContact CE2-CD1 3.96Å; F268-I302 HydrophobicContact CG-CD1 3.9Å; F268-I302 HydrophobicContact CZ-CD1 3.85Å; I299-I302 HydrophobicContact CG2-CD1 4.38Å; I299-I302 WeakPolarHBondContact O-CB 3.32Å; I299-I302 WeakPolarHBondContact O-CD1 3.35Å; I299-I302 WeakPolarHBondContact O-CG1 3.26Å; I299-I302 PolarHBondContact O-N 2.73Å; I302-R304 PolarHBondContact O-N 3.44Å; I302-L306 HydrophobicContact CG2-CB 4.3Å; I302-L306 HydrophobicContact CG2-CD2 3.57Å; I302-F307 HydrophobicContact CB-CE2 4.46Å; I302-F307 HydrophobicContact CG2-CE2 3.81Å; I302-F307 HydrophobicContact CG2-CZ 4.12Å; I302-F315 HydrophobicContact CD1-CZ 4.32Å
303R83.5Confident88.2Confident113 Ų11338.2 Ų38.243%0.42620%0.203SC..  trans-58.3132.5-178.2-165.4169.8179.3178.2-0.2113V257 V258 S301 S305 L306V257-R303 HydrophobicContact CG1-CB 3.35Å; V257-R303 HydrophobicContact CG1-CG 3.58Å; V258-R303 PolarHBondContact O-N 2.87Å; S301-R303 PolarHBondContact O-N 3.32Å; R303-S305 WeakPolarHBondContact CD-OG 3.49Å; R303-S305 WeakPolarHBondContact CG-OG 3.34Å; R303-S305 PolarHBondContact O-N 2.94Å; R303-L306 WeakPolarHBondContact O-CB 3.4Å; R303-L306 PolarHBondContact O-N 3.14Å; R303-L306 VanDerWaalsContact O-N 3.09Å
304R80.8Confident88Confident137 Ų13743.1 Ų43.152%0.51723%0.228SC..G310 helixtrans-49.3-31.4176.863173.2-80.7-165.8-1.1115.8I302 L306 F307I302-R304 PolarHBondContact O-N 3.44Å; R304-L306 PolarHBondContact O-N 2.96Å; R304-F307 PolarHBondContact O-N 2.94Å
305S83.4Confident87.9Confident86 Ų8642.3 Ų42.360%0.60122%0.222SC*.G310 helixtrans-73.9-10.7-175.155.30000113.8R303 F307R303-S305 WeakPolarHBondContact CD-OG 3.49Å; R303-S305 WeakPolarHBondContact CG-OG 3.34Å; R303-S305 PolarHBondContact O-N 2.94Å; S305-F307 VanDerWaalsContact C-N 3.31Å
306L86.4Confident87.7Confident13 Ų1342.4 Ų42.47%0.06822%0.223CC..G310 helixtrans-69.7-31176.6-172.765.9000112.1T262 R265 I302 R303 R304T262-L306 HydrophobicContact CG2-CD1 4.33Å; R265-L306 HydrophobicContact CB-CD1 4.11Å; R265-L306 HydrophobicContact CB-CG 4.26Å; R265-L306 WeakPolarHBondContact CD-O 3.25Å; R265-L306 HydrophobicContact CG-CG 4.42Å; I302-L306 HydrophobicContact CG2-CB 4.3Å; I302-L306 HydrophobicContact CG2-CD2 3.57Å; R303-L306 WeakPolarHBondContact O-CB 3.4Å; R303-L306 PolarHBondContact O-N 3.14Å; R303-L306 VanDerWaalsContact O-N 3.09Å; R304-L306 PolarHBondContact O-N 2.96Å
307F88.8Confident87.5Confident14 Ų1444.9 Ų44.96%0.06124%0.24CC..SBendtrans-108.1149.2-173.1-53.2-66.5000111.9F268 L269 I302 R304 S305 E311 R312 F315F268-F307 HydrophobicContact CB-CE1 4.21Å; F268-F307 HydrophobicContact CB-CZ 4.11Å; L269-F307 HydrophobicContact CD2-CD1 3.86Å; L269-F307 HydrophobicContact CD2-CE1 4.03Å; L269-F307 HydrophobicContact CG-CD1 4.48Å; L269-F307 HydrophobicContact CG-CE1 4.41Å; I302-F307 HydrophobicContact CB-CE2 4.46Å; I302-F307 HydrophobicContact CG2-CE2 3.81Å; I302-F307 HydrophobicContact CG2-CZ 4.12Å; R304-F307 PolarHBondContact O-N 2.94Å; S305-F307 VanDerWaalsContact C-N 3.31Å; F307-E311 HydrophobicContact CB-CB 4.3Å; F307-R312 HydrophobicContact CB-CB 4.06Å; F307-F315 HydrophobicContact CD2-CD1 4.49Å; F307-F315 AromaticContact CE2-CD1 3.9Å; F307-F315 HydrophobicContact CE2-CD1 3.9Å; F307-F315 AromaticContact CE2-CE1 3.93Å; F307-F315 HydrophobicContact CE2-CE1 3.93Å; F307-F315 HydrophobicContact CE2-CG 4.32Å; F307-F315 HydrophobicContact CE2-CZ 4.4Å; F307-F315 HydrophobicContact CZ-CD1 4.22Å; F307-F315 HydrophobicContact CZ-CD2 4.31Å; F307-F315 HydrophobicContact CZ-CE1 4.22Å; F307-F315 HydrophobicContact CZ-CE2 4.32Å; F307-F315 HydrophobicContact CZ-CG 4.25Å; F307-F315 HydrophobicContact CZ-CZ 4.26Å
308T86.7Confident87.5Confident59 Ų5946.5 Ų46.536%0.36225%0.248SC..  trans-75.9164.8164.262.10000110.4S310 E311 R312T308-S310 VanDerWaalsContact C-N 3.33Å; T308-S310 PolarHBondContact O-N 2.95Å; T308-S310 PolarHBondContact OG1-OG 2.92Å; T308-E311 WeakPolarHBondContact CB-OE2 3.33Å; T308-E311 WeakPolarHBondContact CG2-OE2 3.45Å; T308-E311 PolarHBondContact N-OE2 2.91Å; T308-E311 PolarHBondContact O-N 2.9Å; T308-E311 WeakPolarHBondContact OG1-CB 3.45Å; T308-E311 VanDerWaalsContact OG1-CG 3.26Å; T308-E311 WeakPolarHBondContact OG1-CG 3.42Å; T308-E311 PolarHBondContact OG1-OE2 3.12Å; T308-R312 VanDerWaalsContact O-CB 3.23Å; T308-R312 WeakPolarHBondContact O-CB 3.48Å; T308-R312 PolarHBondContact O-N 3.34Å
309N83.5Confident87.5Confident131 Ų13144.6 Ų44.670%0.70124%0.239SC*.Hα-helixtrans-59.4-39.9-176.8-69.3-21.4000113.4S313N309-S313 PolarHBondContact O-N 2.59Å
310S86.1Confident87.5Confident83 Ų8344.7 Ų44.758%0.5824%0.24SC*.Hα-helixtrans-67.3-47.6177.949.30000111.9T308 R312 S313 I314T308-S310 VanDerWaalsContact C-N 3.33Å; T308-S310 PolarHBondContact O-N 2.95Å; T308-S310 PolarHBondContact OG1-OG 2.92Å; S310-R312 VanDerWaalsContact C-N 3.3Å; S310-R312 PolarHBondContact O-N 3.27Å; S310-S313 WeakPolarHBondContact O-CB 3.37Å; S310-S313 PolarHBondContact O-N 3.37Å; S310-I314 PolarHBondContact O-N 3.07Å
311E88.6Confident87.6Confident36 Ų3646.9 Ų46.917%0.16826%0.255CS..Hα-helixtrans-61.1-39.7176.6-73167.6155.700112.3R265 L269 F307 T308 S313 I314 F315R265-E311 IonicContact CZ-OE1 3.45Å; R265-E311 IonicContact CZ-OE2 2.76Å; R265-E311 IonicContact NE-OE1 3.2Å; R265-E311 PolarHBondContact NE-OE1 2.91Å; R265-E311 IonicContact NE-OE2 2.58Å; R265-E311 PolarHBondContact NE-OE2 3.21Å; R265-E311 IonicContact NH2-OE1 2.86Å; R265-E311 PolarHBondContact NH2-OE1 2.83Å; R265-E311 IonicContact NH2-OE2 2.89Å; R265-E311 PolarHBondContact NH2-OE2 2.96Å; L269-E311 HydrophobicContact CD1-CG 4.19Å; L269-E311 VanDerWaalsContact CD1-OE1 3.31Å; L269-E311 WeakPolarHBondContact CD1-OE1 3.48Å; L269-E311 HydrophobicContact CD2-CB 3.73Å; L269-E311 HydrophobicContact CD2-CG 3.91Å; F307-E311 HydrophobicContact CB-CB 4.3Å; T308-E311 WeakPolarHBondContact CB-OE2 3.33Å; T308-E311 WeakPolarHBondContact CG2-OE2 3.45Å; T308-E311 PolarHBondContact N-OE2 2.91Å; T308-E311 PolarHBondContact O-N 2.9Å; T308-E311 WeakPolarHBondContact OG1-CB 3.45Å; T308-E311 VanDerWaalsContact OG1-CG 3.26Å; T308-E311 WeakPolarHBondContact OG1-CG 3.42Å; T308-E311 PolarHBondContact OG1-OE2 3.12Å; E311-S313 VanDerWaalsContact C-N 3.31Å; E311-S313 PolarHBondContact O-N 3.44Å; E311-I314 WeakPolarHBondContact O-CB 3.33Å; E311-I314 PolarHBondContact O-N 3.46Å; E311-I314 VanDerWaalsContact O-N 3.16Å; E311-F315 PolarHBondContact O-N 2.89Å
312R86.5Confident87.7Confident9 Ų947.1 Ų47.13%0.03426%0.257CS..Hα-helixtrans-62.6-39.5179.3-170177.5-179.6-158-13.6111.8F307 T308 S310 I314 F315 L316 N404 Y405 E409F307-R312 HydrophobicContact CB-CB 4.06Å; T308-R312 VanDerWaalsContact O-CB 3.23Å; T308-R312 WeakPolarHBondContact O-CB 3.48Å; T308-R312 PolarHBondContact O-N 3.34Å; S310-R312 VanDerWaalsContact C-N 3.3Å; S310-R312 PolarHBondContact O-N 3.27Å; R312-I314 VanDerWaalsContact C-N 3.3Å; R312-I314 PolarHBondContact O-N 2.81Å; R312-F315 PolarHBondContact O-N 2.99Å; R312-L316 VanDerWaalsContact O-CB 3.26Å; R312-L316 WeakPolarHBondContact O-CB 3.37Å; R312-L316 PolarHBondContact O-N 2.67Å; R312-N404 PolarHBondContact NH2-O 3Å; R312-Y405 HydrophobicContact CG-CD1 4.15Å; R312-Y405 HydrophobicContact CG-CE1 3.73Å; R312-E409 VanDerWaalsContact CZ-CD 3.44Å; R312-E409 IonicContact CZ-OE1 2.63Å; R312-E409 IonicContact CZ-OE2 3.42Å; R312-E409 IonicContact NE-OE1 3.48Å; R312-E409 IonicContact NE-OE2 3.99Å; R312-E409 IonicContact NH1-OE1 2.96Å; R312-E409 PolarHBondContact NH1-OE1 3.01Å; R312-E409 IonicContact NH1-OE2 3.44Å; R312-E409 IonicContact NH2-OE1 3.42Å; R312-E409 PolarHBondContact NH2-OE1 3.11Å; R312-E409 IonicContact NH2-OE2 2.65Å; R312-E409 PolarHBondContact NH2-OE2 3.17Å
313S86Confident87.8Confident55 Ų5547 Ų4739%0.38526%0.257SS..Hα-helixtrans-61.8-39.4174.9-170.10000111.9N309 S310 E311 S317N309-S313 PolarHBondContact O-N 2.59Å; S310-S313 WeakPolarHBondContact O-CB 3.37Å; S310-S313 PolarHBondContact O-N 3.37Å; E311-S313 VanDerWaalsContact C-N 3.31Å; E311-S313 PolarHBondContact O-N 3.44Å; S313-S317 VanDerWaalsContact O-CB 3.3Å; S313-S317 WeakPolarHBondContact O-CB 3.22Å; S313-S317 PolarHBondContact O-N 3.34Å
314I88.1Confident88.2Confident103 Ų10342 Ų4253%0.52824%0.239SC..Hα-helixtrans-67.3-48.3177.9-62168.2000110.3S310 E311 R312 L316 S317 Q318S310-I314 PolarHBondContact O-N 3.07Å; E311-I314 WeakPolarHBondContact O-CB 3.33Å; E311-I314 PolarHBondContact O-N 3.46Å; E311-I314 VanDerWaalsContact O-N 3.16Å; R312-I314 VanDerWaalsContact C-N 3.3Å; R312-I314 PolarHBondContact O-N 2.81Å; I314-L316 PolarHBondContact O-N 3.26Å; I314-S317 WeakPolarHBondContact O-CB 3.41Å; I314-S317 PolarHBondContact O-N 3.05Å; I314-Q318 PolarHBondContact O-N 2.99Å
315F89.9Confident88.5Confident3 Ų340.3 Ų40.31%0.01324%0.24CC..Hα-helixtrans-60.7-45.6179.1-178.1-109000111.9F268 V274 I299 I302 F307 E311 R312 S317 Q318 I319 Y405F268-F315 HydrophobicContact CB-CE2 4.07Å; V274-F315 HydrophobicContact CG2-CD2 3.99Å; V274-F315 HydrophobicContact CG2-CE2 3.55Å; I299-F315 HydrophobicContact CG2-CE2 3.93Å; I299-F315 HydrophobicContact CG2-CZ 3.58Å; I302-F315 HydrophobicContact CD1-CZ 4.32Å; F307-F315 HydrophobicContact CD2-CD1 4.49Å; F307-F315 AromaticContact CE2-CD1 3.9Å; F307-F315 HydrophobicContact CE2-CD1 3.9Å; F307-F315 AromaticContact CE2-CE1 3.93Å; F307-F315 HydrophobicContact CE2-CE1 3.93Å; F307-F315 HydrophobicContact CE2-CG 4.32Å; F307-F315 HydrophobicContact CE2-CZ 4.4Å; F307-F315 HydrophobicContact CZ-CD1 4.22Å; F307-F315 HydrophobicContact CZ-CD2 4.31Å; F307-F315 HydrophobicContact CZ-CE1 4.22Å; F307-F315 HydrophobicContact CZ-CE2 4.32Å; F307-F315 HydrophobicContact CZ-CG 4.25Å; F307-F315 HydrophobicContact CZ-CZ 4.26Å; E311-F315 PolarHBondContact O-N 2.89Å; R312-F315 PolarHBondContact O-N 2.99Å; F315-S317 PolarHBondContact O-N 3.4Å; F315-Q318 PolarHBondContact O-N 3.31Å; F315-I319 HydrophobicContact CD1-CD1 4.01Å; F315-I319 HydrophobicContact CE1-CD1 3.55Å; F315-I319 HydrophobicContact CE2-CD1 4.47Å; F315-I319 HydrophobicContact CZ-CD1 3.81Å; F315-I319 PolarHBondContact O-N 3.02Å; F315-Y405 WeakPolarHBondContact CD1-OH 3.37Å; F315-Y405 WeakPolarHBondContact CE1-OH 3.36Å
316L89.8Confident88.8Confident2 Ų236.5 Ų36.51%0.0121%0.213CC..Hα-helixtrans-63.2-41.5177-177.759.5000112.1R312 I314 Q318 I319 V320 L401 Y405 E409 L410 L413R312-L316 VanDerWaalsContact O-CB 3.26Å; R312-L316 WeakPolarHBondContact O-CB 3.37Å; R312-L316 PolarHBondContact O-N 2.67Å; I314-L316 PolarHBondContact O-N 3.26Å; L316-Q318 VanDerWaalsContact C-N 3.29Å; L316-Q318 PolarHBondContact O-N 2.98Å; L316-I319 PolarHBondContact O-N 3.07Å; L316-V320 HydrophobicContact CD1-CG2 3.97Å; L316-V320 HydrophobicContact CG-CG2 4.23Å; L316-V320 WeakPolarHBondContact O-CG2 3.36Å; L316-V320 PolarHBondContact O-N 2.66Å; L316-L401 HydrophobicContact CD1-CD2 4.35Å; L316-Y405 HydrophobicContact CB-CD1 4.29Å; L316-Y405 HydrophobicContact CB-CE1 4.23Å; L316-Y405 HydrophobicContact CD1-CD1 3.93Å; L316-Y405 HydrophobicContact CD1-CD2 3.49Å; L316-Y405 VanDerWaalsContact CD1-CD2 3.49Å; L316-Y405 HydrophobicContact CD1-CE1 4.21Å; L316-Y405 HydrophobicContact CD1-CE2 3.86Å; L316-Y405 HydrophobicContact CD1-CG 3.58Å; L316-Y405 HydrophobicContact CD2-CD1 3.84Å; L316-Y405 HydrophobicContact CD2-CG 3.91Å; L316-Y405 HydrophobicContact CG-CD1 4.24Å; L316-Y405 HydrophobicContact CG-CG 4.28Å; L316-E409 HydrophobicContact CD2-CB 4.18Å; L316-L410 HydrophobicContact CD1-CD2 4.09Å; L316-L410 HydrophobicContact CD2-CD2 3.97Å; L316-L410 HydrophobicContact CD2-CG 4.47Å; L316-L410 HydrophobicContact CG-CD2 4.32Å; L316-L413 HydrophobicContact CD2-CD1 3.94Å; L316-L413 HydrophobicContact CG-CD1 3.86Å
317S89.7Confident88.9Confident54 Ų5436 Ų3638%0.37821%0.21SC..Hα-helixtrans-57.9-41177-176.80000112.1S313 I314 F315 S321S313-S317 VanDerWaalsContact O-CB 3.3Å; S313-S317 WeakPolarHBondContact O-CB 3.22Å; S313-S317 PolarHBondContact O-N 3.34Å; I314-S317 WeakPolarHBondContact O-CB 3.41Å; I314-S317 PolarHBondContact O-N 3.05Å; F315-S317 PolarHBondContact O-N 3.4Å; S317-S321 VanDerWaalsContact O-CB 3.24Å; S317-S321 WeakPolarHBondContact O-CB 3.41Å; S317-S321 PolarHBondContact O-N 3.4Å
318Q91Very high88.7Confident35 Ų3538.4 Ų38.416%0.16422%0.223CC..Hα-helixtrans-63.7-44176.3-67.5174.97.200112.4V274 I314 F315 L316 G322V274-Q318 HydrophobicContact CB-CB 4.32Å; V274-Q318 HydrophobicContact CG1-CB 4.24Å; I314-Q318 PolarHBondContact O-N 2.99Å; F315-Q318 PolarHBondContact O-N 3.31Å; L316-Q318 VanDerWaalsContact C-N 3.29Å; L316-Q318 PolarHBondContact O-N 2.98Å; Q318-G322 PolarHBondContact O-N 2.97Å; Q318-G322 VanDerWaalsContact O-N 3.08Å
319I91.3Very high88.4Confident2 Ų238.1 Ų38.11%0.0122%0.224CC..Hα-helixtrans-67.2-46.2179.4-58.4173.3000110.6V274 F278 F315 L316 S321 G322 C323 L401V274-I319 HydrophobicContact CG1-CG1 3.94Å; F278-I319 HydrophobicContact CZ-CG2 4.47Å; F315-I319 HydrophobicContact CD1-CD1 4.01Å; F315-I319 HydrophobicContact CE1-CD1 3.55Å; F315-I319 HydrophobicContact CE2-CD1 4.47Å; F315-I319 HydrophobicContact CZ-CD1 3.81Å; F315-I319 PolarHBondContact O-N 3.02Å; L316-I319 PolarHBondContact O-N 3.07Å; I319-S321 PolarHBondContact O-N 3.28Å; I319-G322 PolarHBondContact O-N 3.49Å; I319-C323 PolarHBondContact O-N 3.05Å; I319-C323 PolarHBondContact O-SG 3.45Å; I319-L401 HydrophobicContact CB-CD2 4.38Å; I319-L401 HydrophobicContact CG2-CD2 3.59Å
320V91.1Very high88Confident3 Ų333 Ų332%0.01820%0.197CC..Hα-helixtrans-63.4-42.9179.8171.70000110.8L316 G322 C323 C324 L410 L413 F419L316-V320 HydrophobicContact CD1-CG2 3.97Å; L316-V320 HydrophobicContact CG-CG2 4.23Å; L316-V320 WeakPolarHBondContact O-CG2 3.36Å; L316-V320 PolarHBondContact O-N 2.66Å; V320-G322 PolarHBondContact O-N 3.16Å; V320-C323 PolarHBondContact O-N 2.88Å; V320-C324 PolarHBondContact O-N 3.23Å; V320-C324 PolarHBondContact O-SG 2.89Å; V320-C324 VanDerWaalsContact O-SG 3.39Å; V320-L410 HydrophobicContact CG2-CD2 4.08Å; V320-L413 HydrophobicContact CB-CD1 4.25Å; V320-L413 HydrophobicContact CG1-CD1 4.42Å; V320-L413 HydrophobicContact CG2-CD1 3.85Å; V320-F419 HydrophobicContact CG1-CB 3.99Å; V320-F419 HydrophobicContact CG1-CD1 4.33Å; V320-F419 HydrophobicContact CG1-CD2 3.97Å; V320-F419 HydrophobicContact CG1-CG 3.82Å
321S90.6Very high87.1Confident45 Ų4530 Ų3032%0.31518%0.176SC..Hα-helixtrans-58.7-45.9174.9-171.20000111.9S317 I319 C323 C324 D325S317-S321 VanDerWaalsContact O-CB 3.24Å; S317-S321 WeakPolarHBondContact O-CB 3.41Å; S317-S321 PolarHBondContact O-N 3.4Å; I319-S321 PolarHBondContact O-N 3.28Å; S321-C323 VanDerWaalsContact C-N 3.35Å; S321-C323 PolarHBondContact O-N 3.01Å; S321-C324 WeakPolarHBondContact O-CB 3.42Å; S321-C324 PolarHBondContact O-N 3.01Å; S321-D325 PolarHBondContact O-N 3.27Å; S321-D325 VanDerWaalsContact O-N 3.08Å
322G91Very high85.4Confident5 Ų533 Ų335%0.05219%0.193CC..Hα-helixtrans-64.8-37.8177.100000112.9Q318 I319 V320 D325 I326Q318-G322 PolarHBondContact O-N 2.97Å; Q318-G322 VanDerWaalsContact O-N 3.08Å; I319-G322 PolarHBondContact O-N 3.49Å; V320-G322 PolarHBondContact O-N 3.16Å; G322-D325 PolarHBondContact O-N 2.98Å; G322-I326 WeakPolarHBondContact O-CG1 3.27Å; G322-I326 PolarHBondContact O-N 3.32Å
323C91.8Very high83.5Confident0 Ų035.7 Ų35.70%021%0.208CC..Hα-helixtrans-65.1-41.3173.9-64.70000111.8I319 V320 S321 D325 I326 L327 L398 F419I319-C323 PolarHBondContact O-N 3.05Å; I319-C323 PolarHBondContact O-SG 3.45Å; V320-C323 PolarHBondContact O-N 2.88Å; S321-C323 VanDerWaalsContact C-N 3.35Å; S321-C323 PolarHBondContact O-N 3.01Å; C323-D325 VanDerWaalsContact C-N 3.32Å; C323-D325 PolarHBondContact O-N 2.85Å; C323-I326 PolarHBondContact O-N 3.39Å; C323-L327 VanDerWaalsContact O-CG 3.26Å; C323-L327 WeakPolarHBondContact O-CG 3.45Å; C323-L327 PolarHBondContact O-N 2.96Å; C323-L398 HydrophobicContact CB-CD2 4.38Å; C323-F419 HydrophobicContact CB-CD2 4.5Å; C323-F419 HydrophobicContact CB-CE2 3.9Å
324C90.5Very high81.3Confident8 Ų835.9 Ų35.95%0.05421%0.206CC..Hα-helixtrans-57.1-44.2173.5-75.90000111.8V320 S321 I326 L327 L328 F419V320-C324 PolarHBondContact O-N 3.23Å; V320-C324 PolarHBondContact O-SG 2.89Å; V320-C324 VanDerWaalsContact O-SG 3.39Å; S321-C324 WeakPolarHBondContact O-CB 3.42Å; S321-C324 PolarHBondContact O-N 3.01Å; C324-I326 VanDerWaalsContact C-N 3.33Å; C324-I326 PolarHBondContact O-N 3.39Å; C324-L327 PolarHBondContact O-N 3.22Å; C324-L328 WeakPolarHBondContact O-CB 2.99Å; C324-L328 WeakPolarHBondContact O-CG 3.27Å; C324-L328 PolarHBondContact O-N 3.35Å; C324-F419 VanDerWaalsContact SG-CB 3.55Å
325D87.9Confident78.6Confident100 Ų10035.4 Ų35.454%0.53521%0.208SC..Hα-helixtrans-61.9-40.8178.9-71.9-22.3000112S321 G322 C323 S329S321-D325 PolarHBondContact O-N 3.27Å; S321-D325 VanDerWaalsContact O-N 3.08Å; G322-D325 PolarHBondContact O-N 2.98Å; C323-D325 VanDerWaalsContact C-N 3.32Å; C323-D325 PolarHBondContact O-N 2.85Å; D325-S329 PolarHBondContact O-N 2.96Å
326I89.1Confident75.6Confident6 Ų639.7 Ų39.73%0.03124%0.235CC..Hα-helixtrans-63.9-48.6174.3-63.6178.7000110F278 Y281 L293 G322 C323 C324 L328 S329 V330 L385 F394F278-I326 HydrophobicContact CD1-CD1 3.86Å; F278-I326 HydrophobicContact CD1-CG1 4.36Å; F278-I326 HydrophobicContact CE1-CD1 3.8Å; Y281-I326 HydrophobicContact CD1-CD1 3.85Å; Y281-I326 HydrophobicContact CD1-CG1 3.97Å; Y281-I326 HydrophobicContact CE1-CD1 3.76Å; Y281-I326 HydrophobicContact CE1-CG1 3.67Å; Y281-I326 HydrophobicContact CE1-CG2 4.24Å; L293-I326 HydrophobicContact CD2-CD1 4.01Å; G322-I326 WeakPolarHBondContact O-CG1 3.27Å; G322-I326 PolarHBondContact O-N 3.32Å; C323-I326 PolarHBondContact O-N 3.39Å; C324-I326 VanDerWaalsContact C-N 3.33Å; C324-I326 PolarHBondContact O-N 3.39Å; I326-L328 PolarHBondContact O-N 3.44Å; I326-S329 WeakPolarHBondContact O-CB 3.31Å; I326-S329 PolarHBondContact O-N 3.19Å; I326-S329 PolarHBondContact O-OG 3.26Å; I326-V330 PolarHBondContact O-N 3.01Å; I326-L385 HydrophobicContact CG2-CD1 3.59Å; I326-F394 HydrophobicContact CB-CE2 3.93Å; I326-F394 HydrophobicContact CB-CZ 4.01Å; I326-F394 HydrophobicContact CD1-CD2 4.05Å; I326-F394 HydrophobicContact CD1-CE2 3.8Å; I326-F394 HydrophobicContact CG1-CE2 4.45Å; I326-F394 HydrophobicContact CG2-CD1 4.45Å; I326-F394 HydrophobicContact CG2-CD2 4.09Å; I326-F394 HydrophobicContact CG2-CE1 4.04Å; I326-F394 HydrophobicContact CG2-CE2 3.67Å; I326-F394 HydrophobicContact CG2-CG 4.47Å; I326-F394 HydrophobicContact CG2-CZ 3.65Å
327L87.9Confident72.7Confident4 Ų444.7 Ų44.72%0.02127%0.266CS..Hα-helixtrans-62.6-39.9-179.4-66.1166.3000112.6C323 C324 S329 V330 S331 F394 F419 L422 L423 F426C323-L327 VanDerWaalsContact O-CG 3.26Å; C323-L327 WeakPolarHBondContact O-CG 3.45Å; C323-L327 PolarHBondContact O-N 2.96Å; C324-L327 PolarHBondContact O-N 3.22Å; L327-S329 VanDerWaalsContact C-N 3.29Å; L327-S329 PolarHBondContact O-N 3.38Å; L327-V330 PolarHBondContact O-N 3.26Å; L327-S331 PolarHBondContact O-N 3.5Å; L327-S331 VanDerWaalsContact O-N 3.08Å; L327-F394 HydrophobicContact CD2-CE1 3.77Å; L327-F394 HydrophobicContact CD2-CZ 3.93Å; L327-F394 HydrophobicContact CG-CE1 4.35Å; L327-F394 HydrophobicContact CG-CZ 4.01Å; L327-F419 HydrophobicContact CD1-CD2 4.13Å; L327-F419 HydrophobicContact CD1-CE2 4.06Å; L327-L422 HydrophobicContact CB-CB 3.85Å; L327-L422 HydrophobicContact CB-CD1 4.35Å; L327-L422 HydrophobicContact CD1-CB 4Å; L327-L422 HydrophobicContact CG-CB 4.5Å; L327-L423 HydrophobicContact CD1-CB 4.36Å; L327-F426 HydrophobicContact CD2-CB 3.54Å; L327-F426 HydrophobicContact CD2-CD1 4.01Å; L327-F426 HydrophobicContact CD2-CD2 4.11Å; L327-F426 HydrophobicContact CD2-CG 3.62Å
328L85.8Confident69.8Low64 Ų6447.8 Ų47.834%0.33528%0.283SS..Hα-helixtrans-63-35.1176.5-78.7169.6000112.7C324 I326 V330 S331 N332 L422C324-L328 WeakPolarHBondContact O-CB 2.99Å; C324-L328 WeakPolarHBondContact O-CG 3.27Å; C324-L328 PolarHBondContact O-N 3.35Å; I326-L328 PolarHBondContact O-N 3.44Å; L328-V330 PolarHBondContact O-N 2.76Å; L328-S331 WeakPolarHBondContact CA-OG 3.24Å; L328-S331 PolarHBondContact O-N 3.15Å; L328-S331 PolarHBondContact O-OG 2.89Å; L328-S331 VanDerWaalsContact O-OG 3.13Å; L328-N332 PolarHBondContact O-N 2.83Å; L328-N332 PolarHBondContact O-ND2 3.08Å; L328-L422 HydrophobicContact CD1-CD1 4.43Å; L328-L422 HydrophobicContact CD2-CD1 3.76Å; L328-L422 HydrophobicContact CD2-CD2 3.74Å; L328-L422 HydrophobicContact CD2-CG 4.38Å; L328-L422 HydrophobicContact CG-CD1 3.64Å; L328-L422 HydrophobicContact CG-CD2 4.29Å
329S80.1Confident66.7Low53 Ų5350.7 Ų50.737%0.37131%0.307SS..Hα-helixtrans-64.4-30.9177.976.50000112.3D325 I326 L327D325-S329 PolarHBondContact O-N 2.96Å; I326-S329 WeakPolarHBondContact O-CB 3.31Å; I326-S329 PolarHBondContact O-N 3.19Å; I326-S329 PolarHBondContact O-OG 3.26Å; L327-S329 VanDerWaalsContact C-N 3.29Å; L327-S329 PolarHBondContact O-N 3.38Å
330V75Confident63.6Low23 Ų2355.3 Ų55.314%0.13934%0.339CS..Hα-helixtrans-78.2-45.3175.7-176.10000110.9I326 L327 L328 N332 I333 L385I326-V330 PolarHBondContact O-N 3.01Å; L327-V330 PolarHBondContact O-N 3.26Å; L328-V330 PolarHBondContact O-N 2.76Å; V330-N332 PolarHBondContact O-N 3.05Å; V330-I333 PolarHBondContact O-N 3.15Å; V330-L385 HydrophobicContact CG2-CD1 3.33Å
331S66.7Low60.4Low19 Ų1960.7 Ų60.713%0.13338%0.377CS..Hα-helixtrans-66.8-36-173.763.90000113.8L327 L328 I333 T334L327-S331 PolarHBondContact O-N 3.5Å; L327-S331 VanDerWaalsContact O-N 3.08Å; L328-S331 WeakPolarHBondContact CA-OG 3.24Å; L328-S331 PolarHBondContact O-N 3.15Å; L328-S331 PolarHBondContact O-OG 2.89Å; L328-S331 VanDerWaalsContact O-OG 3.13Å; S331-I333 PolarHBondContact O-N 3.43Å; S331-T334 PolarHBondContact O-N 3.37Å; S331-T334 PolarHBondContact O-OG1 2.84Å
332N53.4Low57.5Low99 Ų9964.2 Ų64.253%0.52940%0.399SS..Hα-helixtrans-65.3-21.1-178.4-74.4-19.2000113.5L328 V330 T335 T336L328-N332 PolarHBondContact O-N 2.83Å; L328-N332 PolarHBondContact O-ND2 3.08Å; V330-N332 PolarHBondContact O-N 3.05Å; N332-T335 PolarHBondContact O-OG1 3.18Å; N332-T335 VanDerWaalsContact O-OG1 3.09Å; N332-T336 PolarHBondContact O-OG1 2.83Å; N332-T336 VanDerWaalsContact O-OG1 3.12Å
333I46.7Very low54.4Low66 Ų6669.3 Ų69.334%0.33843%0.434SS..Hα-helixtrans-80.9-39.2178.2-59.6172.3000110.3V330 S331 T335 T336 N383V330-I333 PolarHBondContact O-N 3.15Å; S331-I333 PolarHBondContact O-N 3.43Å; I333-T335 PolarHBondContact O-N 2.96Å; I333-T336 PolarHBondContact O-N 3.26Å; I333-T336 VanDerWaalsContact O-N 3.16Å; I333-T336 PolarHBondContact O-OG1 3.36Å; I333-N383 HydrophobicContact CD1-CB 3.95Å
334T39.5Very low51.1Low59 Ų5974.8 Ų74.836%0.36247%0.472SS..Hα-helixtrans-61.4-25.4176.8350000113.7S331S331-T334 PolarHBondContact O-N 3.37Å; S331-T334 PolarHBondContact O-OG1 2.84Å
335T31.1Very low47.9Very low93 Ų9380.9 Ų80.957%0.57151%0.509SS*.Hα-helixtrans-86.8-20.3177.246.60000114.7N332 I333 T338N332-T335 PolarHBondContact O-OG1 3.18Å; N332-T335 VanDerWaalsContact O-OG1 3.09Å; I333-T335 PolarHBondContact O-N 2.96Å; T335-T338 PolarHBondContact O-OG1 2.94Å
336T28Very low44.8Very low94 Ų9482 Ų8258%0.57752%0.52SS*.Hα-helixtrans-91.8-13.9-174.443.70000113.7N332 I333 T338N332-T336 PolarHBondContact O-OG1 2.83Å; N332-T336 VanDerWaalsContact O-OG1 3.12Å; I333-T336 PolarHBondContact O-N 3.26Å; I333-T336 VanDerWaalsContact O-N 3.16Å; I333-T336 PolarHBondContact O-OG1 3.36Å; T336-T338 VanDerWaalsContact C-N 3.32Å; T336-T338 PolarHBondContact O-N 3.39Å
337T29.2Very low41.6Very low107 Ų10787.8 Ų87.866%0.65656%0.555SS**THydrogen-bonded Turntrans-81.5-5.8175.749.90000114.3
338T28.7Very low38.5Very low118 Ų11893.7 Ų93.772%0.72459%0.592SS**THydrogen-bonded Turntrans-104.24.9179.252.10000115.1T335 T336T335-T338 PolarHBondContact O-OG1 2.94Å; T336-T338 VanDerWaalsContact C-N 3.32Å; T336-T338 PolarHBondContact O-N 3.39Å
339S24.8Very low35.4Very low96 Ų9697.5 Ų97.567%0.67162%0.618SS**  trans-10356.5175.969.50000112.8
340S26.6Very low32.7Very low99 Ų99101.4 Ų101.469%0.69264%0.64SS**SBendtrans-11395.6154.559.80000107.4P342S340-P342 VanDerWaalsContact O-CD 3.27Å; S340-P342 WeakPolarHBondContact O-CD 3.43Å; S340-P342 VanDerWaalsContact O-N 3.13Å
341S24.7Very low30.2Very low116 Ų116107.4 Ų107.481%0.81167%0.671SS**  trans-46.4112.3179.1-38.70000110.8S343S341-S343 PolarHBondContact O-N 2.87Å
342P29.7Very low28.1Very low120 Ų120113.7 Ų113.778%0.77971%0.709SS**  trans-72.7122.4172.1-7.223.7000107.4S340 S344S340-P342 VanDerWaalsContact O-CD 3.27Å; S340-P342 WeakPolarHBondContact O-CD 3.43Å; S340-P342 VanDerWaalsContact O-N 3.13Å; P342-S344 PolarHBondContact O-N 3.35Å; P342-S344 VanDerWaalsContact O-N 3.17Å
343S24.9Very low26.6Very low112 Ų112114.7 Ų114.778%0.78372%0.719SS**  trans-49.9121.6170.545.70000110.3S341 T345S341-S343 PolarHBondContact O-N 2.87Å; S343-T345 PolarHBondContact O-N 3.22Å
344S23.2Very low25.5Very low114 Ų114118.5 Ų118.580%0.79775%0.745SS**  trans-41.7126176.851.80000114.5P342P342-S344 PolarHBondContact O-N 3.35Å; P342-S344 VanDerWaalsContact O-N 3.17Å
345T23.9Very low24.6Very low137 Ų137123.2 Ų123.284%0.8477%0.766SS**  trans-136.6106.3143.5-8.20000108.4S343S343-T345 PolarHBondContact O-N 3.22Å
346T21.4Very low24.1Very low124 Ų124121.7 Ų121.776%0.76177%0.769SS**  trans-28.6134.3167.131.50000116.2
347T22.5Very low24Very low126 Ų126122.9 Ų122.977%0.77378%0.781SS**  -169.795.112418.40000111.6
348T22Very low24.3Very low129 Ų129123.5 Ų123.579%0.79179%0.787SS**  trans36.897135.349.90000119
349T22Very low24Very low144 Ų144126.8 Ų126.888%0.88379%0.794SS**  trans-135134.9141.334.90000109.7
350T23.5Very low23.9Very low134 Ų134127.8 Ų127.882%0.82280%0.801SS**  trans-84.6115.7-163.642.40000113
351N21.9Very low23.7Very low149 Ų149129.1 Ų129.180%0.79781%0.805SS**  trans19.5113.9136.1-64.8-12.2000119.1
352T23.1Very low23.7Very low152 Ų152131.8 Ų131.893%0.93381%0.81SS**  trans-120.5126.8137.722.10000109.3
353T20.7Very low23.4Very low119 Ų119131.1 Ų131.173%0.7381%0.807SS**  trans-85133-168.843.80000112.5
354V24.4Very low23.2Very low147 Ų147133.2 Ų133.289%0.89181%0.81SS**  trans-138.397.3148.6-175.50000109.6
355I21.1Very low23.2Very low157 Ų157134.5 Ų134.581%0.80581%0.813SS**  trans-4.9122.5152.6-58.1168.1000116.1
356G20.1Very low23.1Very low62 Ų62133.8 Ų133.864%0.63981%0.809SS**  trans-96.1-167.216900000114.5
357S25.2Very low23.1Very low118 Ų118134.5 Ų134.583%0.82581%0.813SS**  trans-176.9153.1162.6-87.10000109.9
358P35.9Very low23Very low121 Ų121134.4 Ų134.479%0.78681%0.813SS**  -126.6164.4-107.431-13.5000116.5
359H21.7Very low23.1Very low186 Ų186134.8 Ų134.886%0.86182%0.815SS**  trans-38.2133.6167-68-82.7000116.5
360S23.6Very low23.1Very low117 Ų117135 Ų13582%0.81881%0.811SS**  trans-102.7111.2154.258.70000110
361T21.5Very low23.2Very low128 Ų128136.4 Ų136.479%0.78581%0.813SS**  trans-62.2134172.9450000113.2
362L24.9Very low23.3Very low172 Ų172136 Ų13690%0.90181%0.811SS**  trans-135.2129.6152.5-99.6130.5000110.2
363S23.4Very low23.3Very low105 Ų105136.1 Ų136.173%0.73480%0.801SS**  trans-80.4130.7-160.6450000113.5
364N21.5Very low23.4Very low156 Ų156137.3 Ų137.383%0.83480%0.803SS**  trans-72.6120.4166.1-75.5-24.8000110.9
365T23Very low23.3Very low141 Ų141136.2 Ų136.287%0.86580%0.801SS**  trans-101.198.315721.40000108.7
366T20.8Very low23.4Very low123 Ų123133.4 Ų133.476%0.75580%0.796SS**  trans-72.5116.3167.630.90000110.7
367T22.3Very low23.5Very low138 Ų138139.3 Ų139.385%0.84781%0.809SS**  trans-122.7100.3154.734.70000109.3
368T21.2Very low23.6Very low124 Ų124140.7 Ų140.776%0.76181%0.807SS**  trans-56.5121.3169.543.50000112
369T23Very low23.1Very low138 Ų138140 Ų14085%0.84781%0.805SS**  trans-136.6105.3147.738.70000109.1N371T369-N371 PolarHBondContact O-N 3.21Å
370N22.1Very low23.6Very low149 Ų149139.9 Ų139.980%0.79780%0.802SS**  trans-59.9124.8171-77.6-25.7000109.8
371N26.5Very low24.2Very low162 Ų162141.3 Ų141.387%0.86680%0.801SS**  trans-139.9103.4152.8-90.6-26.2000109.1T369T369-N371 PolarHBondContact O-N 3.21Å
372N22.4Very low25.3Very low140 Ų140139.8 Ų139.875%0.74979%0.794SS**  trans-66.5121.3163.5-75.4-25.2000108.9
373H23.4Very low26.9Very low155 Ų155133.1 Ų133.172%0.71876%0.759SS**  165.5122.6111.7-94-59000112.2
374N23.1Very low28.7Very low145 Ų145129.6 Ų129.678%0.77573%0.732SS**  trans56.385.8137.4-57.6-0.2000118.4
375S22.4Very low31.1Very low123 Ų123122.4 Ų122.486%0.8669%0.693SS**  trans-165.215113550.10000109.9
376S22.7Very low33.4Very low98 Ų98120.8 Ų120.869%0.68568%0.68SS**  trans88.775.4176.5-174.70000117.5N378S376-N378 PolarHBondContact O-N 3.1Å
377M23.4Very low36.1Very low186 Ų186116.5 Ų116.592%0.91665%0.652SS**  trans-72.846.3160.6-108.1-81-170.400112.4
378N26.7Very low38.9Very low148 Ų148113.4 Ų113.479%0.79163%0.634SS**  trans-126.453.9-174.9-85.9-1.6000114.1S376S376-N378 PolarHBondContact O-N 3.1Å
379S24.8Very low41.8Very low106 Ų106113.3 Ų113.374%0.74163%0.625SS**  trans-143.114.8171.870.70000116.9N381S379-N381 PolarHBondContact O-N 3.32Å; S379-N381 VanDerWaalsContact O-N 3.09Å
380K32.8Very low44.8Very low184 Ų184106.7 Ų106.780%0.859%0.585SS**  trans-79.792.7165.1-78-176176.4179.50108.5C382K380-C382 PolarHBondContact O-N 3.44Å; K380-C382 PolarHBondContact O-SG 2.98Å
381N37.1Very low47.8Very low147 Ų14799.8 Ų99.879%0.78655%0.547SS*.  trans-54.984.1162-77.6-20.1000108.4S379 N383S379-N381 PolarHBondContact O-N 3.32Å; S379-N381 VanDerWaalsContact O-N 3.09Å; N381-N383 PolarHBondContact O-N 2.7Å
382C43.2Very low50.7Low96 Ų9694.4 Ų94.465%0.64952%0.517SS*.  trans-71.1115172.8-66.50000106.3K380 L384K380-C382 PolarHBondContact O-N 3.44Å; K380-C382 PolarHBondContact O-SG 2.98Å; C382-L384 PolarHBondContact O-N 3.18Å
383N58.5Low53.9Low32 Ų3289.5 Ų89.517%0.17149%0.49CS..  trans-64.897.6-179.6-158.315.2000108.5I333 N381 L385 N386I333-N383 HydrophobicContact CD1-CB 3.95Å; N381-N383 PolarHBondContact O-N 2.7Å; N383-L385 PolarHBondContact O-N 3.03Å; N383-L385 VanDerWaalsContact O-N 3.13Å; N383-N386 WeakPolarHBondContact O-CB 3.28Å; N383-N386 PolarHBondContact O-N 2.88Å
384L61.8Low57.1Low30 Ų3082.1 Ų82.116%0.15746%0.455CS..G310 helixtrans-59.9-25.2-173.9-73.6108.7000112.5Y281 S289 C382 N386 N387Y281-L384 HydrophobicContact CE2-CB 4.18Å; S289-L384 VanDerWaalsContact OG-CD2 3.28Å; S289-L384 WeakPolarHBondContact OG-CD2 3.48Å; C382-L384 PolarHBondContact O-N 3.18Å; L384-N386 PolarHBondContact O-N 2.81Å; L384-N387 WeakPolarHBondContact O-CB 3.42Å; L384-N387 PolarHBondContact O-N 2.9Å; L384-N387 VanDerWaalsContact O-N 3.12Å
385L72.3Confident60.3Low5 Ų575.2 Ų75.23%0.02642%0.418CS..G310 helixtrans-68.5-6174.1-79.4162.1000114.7I326 V330 N383 N387 F394I326-L385 HydrophobicContact CG2-CD1 3.59Å; V330-L385 HydrophobicContact CG2-CD1 3.33Å; N383-L385 PolarHBondContact O-N 3.03Å; N383-L385 VanDerWaalsContact O-N 3.13Å; L385-N387 PolarHBondContact O-N 3.36Å; L385-F394 HydrophobicContact CD1-CD1 4.29Å; L385-F394 HydrophobicContact CD2-CB 3.78Å; L385-F394 HydrophobicContact CD2-CD1 3.89Å; L385-F394 HydrophobicContact CD2-CG 4.03Å
386N71Confident63.5Low108 Ų10870.2 Ų70.258%0.57838%0.382SS*.G310 helixtrans-69.6-17.1168.1-70-2.4000111.9N383 L384N383-N386 WeakPolarHBondContact O-CB 3.28Å; N383-N386 PolarHBondContact O-N 2.88Å; L384-N386 PolarHBondContact O-N 2.81Å
387N78.1Confident66.7Low33 Ų3365.6 Ų65.618%0.17635%0.35CS..SBendtrans-75.3122.1169.6-178.9-9000109.4L384 L385 E389 A390 Y391L384-N387 WeakPolarHBondContact O-CB 3.42Å; L384-N387 PolarHBondContact O-N 2.9Å; L384-N387 VanDerWaalsContact O-N 3.12Å; L385-N387 PolarHBondContact O-N 3.36Å; N387-E389 PolarHBondContact O-N 3.33Å; N387-E389 PolarHBondContact OD1-N 3.38Å; N387-A390 HydrophobicContact CB-CB 4.06Å; N387-A390 PolarHBondContact O-N 3.47Å; N387-Y391 PolarHBondContact O-N 3.37Å
388P80.4Confident69.9Low73 Ų7356.7 Ų56.747%0.47431%0.306SS..Hα-helixtrans-57.7-32.1-179.923.4-34.9000113.7H392P388-H392 WeakPolarHBondContact O-CB 3.48Å; P388-H392 PolarHBondContact O-N 3.18Å
389E82.8Confident72.8Confident121 Ų12149.8 Ų49.857%0.56527%0.269SS*.Hα-helixtrans-70.5-44.3177.7-65.1179.7179.900111.7V290 N387 Y391 H392 E393V290-E389 HydrophobicContact CG1-CB 4.03Å; V290-E389 HydrophobicContact CG2-CB 3.9Å; N387-E389 PolarHBondContact O-N 3.33Å; N387-E389 PolarHBondContact OD1-N 3.38Å; E389-Y391 VanDerWaalsContact C-N 3.29Å; E389-Y391 PolarHBondContact O-N 3.44Å; E389-H392 WeakPolarHBondContact O-CB 3.25Å; E389-H392 PolarHBondContact O-N 3.33Å; E389-E393 WeakPolarHBondContact O-CG 3.39Å; E389-E393 PolarHBondContact O-N 3.25Å
390A85.1Confident75.7Confident0 Ų045.8 Ų45.80%024%0.238CC..Hα-helixtrans-63.9-39176.600000110.9V290 L293 N387 F394V290-A390 HydrophobicContact CG2-CB 3.91Å; L293-A390 HydrophobicContact CD1-CB 4.18Å; L293-A390 WeakPolarHBondContact CD1-O 3.38Å; N387-A390 HydrophobicContact CB-CB 4.06Å; N387-A390 PolarHBondContact O-N 3.47Å; A390-F394 VanDerWaalsContact O-CB 3.27Å; A390-F394 WeakPolarHBondContact O-CB 3.15Å; A390-F394 PolarHBondContact O-N 3.01Å
391Y86.3Confident77.9Confident3 Ų337.2 Ų37.21%0.01220%0.2CC..Hα-helixtrans-59.8-47.4172.8174.6-102.7000112.1N387 E389 F394 C395 F426 S430 N439N387-Y391 PolarHBondContact O-N 3.37Å; E389-Y391 VanDerWaalsContact C-N 3.29Å; E389-Y391 PolarHBondContact O-N 3.44Å; Y391-F394 PolarHBondContact O-N 3.13Å; Y391-C395 VanDerWaalsContact CZ-SG 3.56Å; Y391-C395 PolarHBondContact O-N 3.07Å; Y391-C395 PolarHBondContact O-SG 2.87Å; Y391-F426 HydrophobicContact CD2-CE2 4.35Å; Y391-F426 AromaticContact CD2-CZ 3.9Å; Y391-F426 HydrophobicContact CD2-CZ 3.9Å; Y391-F426 HydrophobicContact CE2-CE1 4.32Å; Y391-F426 HydrophobicContact CE2-CE2 4.07Å; Y391-F426 AromaticContact CE2-CZ 3.5Å; Y391-F426 HydrophobicContact CE2-CZ 3.5Å; Y391-F426 VanDerWaalsContact CE2-CZ 3.5Å; Y391-S430 WeakPolarHBondContact CE2-OG 3.48Å; Y391-S430 WeakPolarHBondContact OH-CB 3.34Å; Y391-S430 PolarHBondContact OH-OG 3.04Å; Y391-N439 HydrophobicContact CE1-CB 4.46Å
392H87.7Confident79.5Confident50 Ų5031.4 Ų31.423%0.23117%0.168CC..Hα-helixtrans-60-51.9178.1-173.880.3000112.3P388 E389 F394 C395 L396 S442 Y445P388-H392 WeakPolarHBondContact O-CB 3.48Å; P388-H392 PolarHBondContact O-N 3.18Å; E389-H392 WeakPolarHBondContact O-CB 3.25Å; E389-H392 PolarHBondContact O-N 3.33Å; H392-F394 VanDerWaalsContact C-N 3.28Å; H392-F394 PolarHBondContact O-N 2.96Å; H392-C395 WeakPolarHBondContact O-CB 3.35Å; H392-C395 PolarHBondContact O-N 3.47Å; H392-C395 VanDerWaalsContact O-N 3.14Å; H392-L396 PolarHBondContact O-N 3.28Å; H392-S442 PolarHBondContact ND1-OG 3.35Å; H392-Y445 AromaticContact CE1-CE2 3.56Å; H392-Y445 AromaticContact NE2-CE2 3.87Å
393E87.7Confident80.5Confident36 Ų3628.1 Ų28.117%0.16815%0.146CC..Hα-helixtrans-61.2-36.8179.1-72.5-63.9129.800112.1V290 L293 S294 V297 E389 L396 L397V290-E393 HydrophobicContact CG1-CG 3.87Å; L293-E393 HydrophobicContact CB-CB 3.84Å; L293-E393 HydrophobicContact CD1-CB 4.32Å; S294-E393 VanDerWaalsContact CA-OE2 3.25Å; S294-E393 WeakPolarHBondContact CA-OE2 3.39Å; S294-E393 WeakPolarHBondContact CB-OE2 3.39Å; S294-E393 PolarHBondContact OG-OE2 3.33Å; V297-E393 WeakPolarHBondContact CG2-O 3.27Å; E389-E393 WeakPolarHBondContact O-CG 3.39Å; E389-E393 PolarHBondContact O-N 3.25Å; E393-L396 WeakPolarHBondContact O-CB 3.49Å; E393-L396 PolarHBondContact O-N 2.99Å; E393-L397 WeakPolarHBondContact O-CB 3.35Å; E393-L397 PolarHBondContact O-N 2.87Å
394F91.3Very high80.8Confident0 Ų027.3 Ų27.30%014%0.142CC..Hα-helixtrans-67.9-40.8175.2-173.9-117.5000112.4L293 I326 L327 L385 A390 Y391 H392 L396 L397 L398 F426L293-F394 HydrophobicContact CD1-CB 4.21Å; L293-F394 HydrophobicContact CD2-CD2 4.32Å; I326-F394 HydrophobicContact CB-CE2 3.93Å; I326-F394 HydrophobicContact CB-CZ 4.01Å; I326-F394 HydrophobicContact CD1-CD2 4.05Å; I326-F394 HydrophobicContact CD1-CE2 3.8Å; I326-F394 HydrophobicContact CG1-CE2 4.45Å; I326-F394 HydrophobicContact CG2-CD1 4.45Å; I326-F394 HydrophobicContact CG2-CD2 4.09Å; I326-F394 HydrophobicContact CG2-CE1 4.04Å; I326-F394 HydrophobicContact CG2-CE2 3.67Å; I326-F394 HydrophobicContact CG2-CG 4.47Å; I326-F394 HydrophobicContact CG2-CZ 3.65Å; L327-F394 HydrophobicContact CD2-CE1 3.77Å; L327-F394 HydrophobicContact CD2-CZ 3.93Å; L327-F394 HydrophobicContact CG-CE1 4.35Å; L327-F394 HydrophobicContact CG-CZ 4.01Å; L385-F394 HydrophobicContact CD1-CD1 4.29Å; L385-F394 HydrophobicContact CD2-CB 3.78Å; L385-F394 HydrophobicContact CD2-CD1 3.89Å; L385-F394 HydrophobicContact CD2-CG 4.03Å; A390-F394 VanDerWaalsContact O-CB 3.27Å; A390-F394 WeakPolarHBondContact O-CB 3.15Å; A390-F394 PolarHBondContact O-N 3.01Å; Y391-F394 PolarHBondContact O-N 3.13Å; H392-F394 VanDerWaalsContact C-N 3.28Å; H392-F394 PolarHBondContact O-N 2.96Å; F394-L396 VanDerWaalsContact C-N 3.28Å; F394-L396 PolarHBondContact O-N 3.41Å; F394-L397 HydrophobicContact CD2-CD2 4.21Å; F394-L397 HydrophobicContact CE2-CD2 4.46Å; F394-L397 WeakPolarHBondContact O-CB 3.41Å; F394-L397 PolarHBondContact O-N 2.83Å; F394-L398 HydrophobicContact CD1-CD1 3.94Å; F394-L398 HydrophobicContact CE1-CD1 3.57Å; F394-L398 HydrophobicContact CE1-CG 4.17Å; F394-L398 HydrophobicContact CE2-CD2 4.4Å; F394-L398 HydrophobicContact CE2-CG 4.31Å; F394-L398 HydrophobicContact CZ-CD1 3.91Å; F394-L398 HydrophobicContact CZ-CD2 4.07Å; F394-L398 HydrophobicContact CZ-CG 4.06Å; F394-L398 WeakPolarHBondContact O-CG 3.36Å; F394-L398 PolarHBondContact O-N 3.29Å; F394-F426 HydrophobicContact CD1-CE1 4.1Å; F394-F426 HydrophobicContact CD1-CE2 4.38Å; F394-F426 AromaticContact CD1-CZ 3.77Å; F394-F426 HydrophobicContact CD1-CZ 3.77Å; F394-F426 HydrophobicContact CE1-CE1 4.08Å; F394-F426 HydrophobicContact CE1-CE2 4.36Å; F394-F426 AromaticContact CE1-CZ 3.99Å; F394-F426 HydrophobicContact CE1-CZ 3.99Å
395C89.9Confident81.2Confident0 Ų026.1 Ų26.10%014%0.135CC..Hα-helixtrans-60.9-39.9173.2-66.90000111.6Y391 H392 L398 S399 L446Y391-C395 VanDerWaalsContact CZ-SG 3.56Å; Y391-C395 PolarHBondContact O-N 3.07Å; Y391-C395 PolarHBondContact O-SG 2.87Å; H392-C395 WeakPolarHBondContact O-CB 3.35Å; H392-C395 PolarHBondContact O-N 3.47Å; H392-C395 VanDerWaalsContact O-N 3.14Å; C395-L398 PolarHBondContact O-N 2.99Å; C395-S399 PolarHBondContact O-N 3.27Å; C395-L446 HydrophobicContact CB-CD2 4.13Å; C395-L446 HydrophobicContact CB-CG 4.13Å
396L89.7Confident81.5Confident19 Ų1931 Ų3110%0.09916%0.158CC..Hα-helixtrans-62.5-49.4175.4-172.260.1000110.8V297 H392 E393 F394 L398 S399 R400 Y445V297-L396 HydrophobicContact CG1-CD2 3.64Å; V297-L396 HydrophobicContact CG1-CG 3.75Å; V297-L396 HydrophobicContact CG2-CB 4.23Å; V297-L396 HydrophobicContact CG2-CD2 4.28Å; V297-L396 HydrophobicContact CG2-CG 4.24Å; H392-L396 PolarHBondContact O-N 3.28Å; E393-L396 WeakPolarHBondContact O-CB 3.49Å; E393-L396 PolarHBondContact O-N 2.99Å; F394-L396 VanDerWaalsContact C-N 3.28Å; F394-L396 PolarHBondContact O-N 3.41Å; L396-L398 VanDerWaalsContact C-N 3.32Å; L396-L398 PolarHBondContact O-N 2.94Å; L396-S399 WeakPolarHBondContact O-CB 3.08Å; L396-S399 PolarHBondContact O-N 3.35Å; L396-S399 VanDerWaalsContact O-N 3.12Å; L396-R400 WeakPolarHBondContact O-CG 3.4Å; L396-R400 PolarHBondContact O-N 2.92Å; L396-Y445 HydrophobicContact CD1-CD1 3.88Å; L396-Y445 HydrophobicContact CD1-CD2 4.39Å; L396-Y445 HydrophobicContact CD1-CE1 3.63Å; L396-Y445 HydrophobicContact CD1-CE2 4.17Å; L396-Y445 HydrophobicContact CD1-CG 4.26Å
397L90.8Very high81.9Confident0 Ų026 Ų260%013%0.131CC..Hα-helixtrans-53.7-47.7176.1173.559.9000111.6L293 L296 V297 S300 E393 F394 S399 R400 L401L293-L397 HydrophobicContact CD2-CD2 4.35Å; L296-L397 HydrophobicContact CB-CD1 4.13Å; L296-L397 HydrophobicContact CB-CD2 4.03Å; L296-L397 HydrophobicContact CD1-CD2 4.47Å; L296-L397 WeakPolarHBondContact O-CD1 2.8Å; V297-L397 HydrophobicContact CG2-CB 3.84Å; S300-L397 WeakPolarHBondContact OG-CD1 3.44Å; E393-L397 WeakPolarHBondContact O-CB 3.35Å; E393-L397 PolarHBondContact O-N 2.87Å; F394-L397 HydrophobicContact CD2-CD2 4.21Å; F394-L397 HydrophobicContact CE2-CD2 4.46Å; F394-L397 WeakPolarHBondContact O-CB 3.41Å; F394-L397 PolarHBondContact O-N 2.83Å; L397-S399 PolarHBondContact O-N 3.48Å; L397-R400 PolarHBondContact O-N 3.45Å; L397-L401 PolarHBondContact O-N 3.5Å
398L90.7Very high82Confident0 Ų026.2 Ų26.20%013%0.132CC..Hα-helixtrans-61-43.2178.1-71.1173.6000111.8C323 F394 C395 L396 R400 L401 F419 L423 F426 L446 L449C323-L398 HydrophobicContact CB-CD2 4.38Å; F394-L398 HydrophobicContact CD1-CD1 3.94Å; F394-L398 HydrophobicContact CE1-CD1 3.57Å; F394-L398 HydrophobicContact CE1-CG 4.17Å; F394-L398 HydrophobicContact CE2-CD2 4.4Å; F394-L398 HydrophobicContact CE2-CG 4.31Å; F394-L398 HydrophobicContact CZ-CD1 3.91Å; F394-L398 HydrophobicContact CZ-CD2 4.07Å; F394-L398 HydrophobicContact CZ-CG 4.06Å; F394-L398 WeakPolarHBondContact O-CG 3.36Å; F394-L398 PolarHBondContact O-N 3.29Å; C395-L398 PolarHBondContact O-N 2.99Å; L396-L398 VanDerWaalsContact C-N 3.32Å; L396-L398 PolarHBondContact O-N 2.94Å; L398-R400 VanDerWaalsContact C-N 3.33Å; L398-R400 PolarHBondContact O-N 3.17Å; L398-L401 HydrophobicContact CD2-CD1 4.2Å; L398-L401 WeakPolarHBondContact O-CB 3.42Å; L398-L401 PolarHBondContact O-N 3.36Å; L398-F419 HydrophobicContact CD2-CE2 4.28Å; L398-F419 HydrophobicContact CD2-CZ 4.27Å; L398-L423 HydrophobicContact CD1-CD1 3.7Å; L398-L423 HydrophobicContact CD2-CD1 3.99Å; L398-L423 HydrophobicContact CG-CD1 4.36Å; L398-F426 HydrophobicContact CD1-CD1 4.2Å; L398-F426 HydrophobicContact CD1-CE1 3.94Å; L398-L446 HydrophobicContact CB-CD2 4.44Å; L398-L446 HydrophobicContact CD1-CD2 3.87Å; L398-L449 HydrophobicContact CB-CD2 3.92Å; L398-L449 WeakPolarHBondContact O-CD1 3.42Å
399S88Confident82.1Confident2 Ų224.5 Ų24.51%0.01412%0.118CC..Hα-helixtrans-61.5-38.3177-177.70000112.9C395 L396 L397 L401 K402 C403 Y445C395-S399 PolarHBondContact O-N 3.27Å; L396-S399 WeakPolarHBondContact O-CB 3.08Å; L396-S399 PolarHBondContact O-N 3.35Å; L396-S399 VanDerWaalsContact O-N 3.12Å; L397-S399 PolarHBondContact O-N 3.48Å; S399-L401 VanDerWaalsContact C-N 3.27Å; S399-L401 PolarHBondContact O-N 2.87Å; S399-K402 PolarHBondContact O-N 3.38Å; S399-C403 PolarHBondContact O-SG 3.42Å; S399-C403 VanDerWaalsContact O-SG 3.34Å; S399-Y445 WeakPolarHBondContact CB-O 3.21Å
400R84.4Confident82.2Confident23 Ų2319 Ų199%0.0879%0.092CC..Hα-helixtrans-61.3-31.6178.3-62.3-52.2177.9171-5.4113.7D254 V256 V297 S300 S301 L396 L397 L398 K402 C403 N404D254-R400 PolarHBondContact O-NH1 2.89Å; D254-R400 VanDerWaalsContact O-NH1 3.11Å; V256-R400 PolarHBondContact O-NH1 3.46Å; V297-R400 HydrophobicContact CG1-CG 4.24Å; S300-R400 WeakPolarHBondContact OG-CB 3.33Å; S301-R400 VanDerWaalsContact OG-CD 3.31Å; S301-R400 WeakPolarHBondContact OG-CD 3.45Å; S301-R400 WeakPolarHBondContact OG-CG 3.14Å; L396-R400 WeakPolarHBondContact O-CG 3.4Å; L396-R400 PolarHBondContact O-N 2.92Å; L397-R400 PolarHBondContact O-N 3.45Å; L398-R400 VanDerWaalsContact C-N 3.33Å; L398-R400 PolarHBondContact O-N 3.17Å; R400-K402 VanDerWaalsContact C-N 3.26Å; R400-K402 PolarHBondContact O-N 2.8Å; R400-C403 WeakPolarHBondContact O-CB 3.44Å; R400-C403 PolarHBondContact O-N 3.47Å; R400-N404 PolarHBondContact O-N 3.22Å
401L79.4Confident82.1Confident3 Ų320.2 Ų20.22%0.01610%0.1CC..Hα-helixtrans-53.9-44.9-179.8-68.2175.3000111.4L316 I319 L397 L398 S399 Y405 F419L316-L401 HydrophobicContact CD1-CD2 4.35Å; I319-L401 HydrophobicContact CB-CD2 4.38Å; I319-L401 HydrophobicContact CG2-CD2 3.59Å; L397-L401 PolarHBondContact O-N 3.5Å; L398-L401 HydrophobicContact CD2-CD1 4.2Å; L398-L401 WeakPolarHBondContact O-CB 3.42Å; L398-L401 PolarHBondContact O-N 3.36Å; S399-L401 VanDerWaalsContact C-N 3.27Å; S399-L401 PolarHBondContact O-N 2.87Å; L401-Y405 VanDerWaalsContact O-CB 3.3Å; L401-Y405 WeakPolarHBondContact O-CB 3.3Å; L401-Y405 WeakPolarHBondContact O-CD2 3.43Å; L401-Y405 PolarHBondContact O-N 2.97Å; L401-F419 HydrophobicContact CD1-CE2 4.42Å; L401-F419 HydrophobicContact CD1-CZ 3.76Å
402K71.1Confident81.9Confident25 Ų2524.6 Ų24.611%0.10913%0.127CC..Hα-helixtrans-89.8-17.6-176.3-160.2-107161.563.40113.9S399 R400 N404 L449 R452 L453 S456S399-K402 PolarHBondContact O-N 3.38Å; R400-K402 VanDerWaalsContact C-N 3.26Å; R400-K402 PolarHBondContact O-N 2.8Å; K402-N404 PolarHBondContact O-N 3.47Å; K402-L449 HydrophobicContact CB-CD1 3.49Å; K402-L449 VanDerWaalsContact CB-CD1 3.49Å; K402-R452 VanDerWaalsContact CD-C 3.48Å; K402-R452 HydrophobicContact CD-CB 3.07Å; K402-R452 HydrophobicContact CD-CG 4.24Å; K402-R452 VanDerWaalsContact CE-CB 3.47Å; K402-R452 WeakPolarHBondContact CE-O 3.29Å; K402-R452 HydrophobicContact CG-CB 4.49Å; K402-R452 PolarHBondContact NZ-O 3.12Å; K402-L453 HydrophobicContact CB-CD2 4.49Å; K402-L453 HydrophobicContact CD-CG 4.47Å; K402-L453 HydrophobicContact CG-CD2 3.86Å; K402-L453 HydrophobicContact CG-CG 4.14Å; K402-S456 VanDerWaalsContact NZ-CB 3.32Å; K402-S456 PolarHBondContact NZ-OG 3.19Å
403C64.6Low81.7Confident27 Ų2723 Ų2318%0.18212%0.12CC..Hα-helixtrans-59.4-38.1167-59.70000111.4S399 R400 R452S399-C403 PolarHBondContact O-SG 3.42Å; S399-C403 VanDerWaalsContact O-SG 3.34Å; R400-C403 WeakPolarHBondContact O-CB 3.44Å; R400-C403 PolarHBondContact O-N 3.47Å; C403-R452 PolarHBondContact SG-NH1 2.89Å
404N64.2Low81.4Confident15 Ų1528.9 Ų28.98%0.0815%0.152CC..Hα-helixtrans-106.4-16.9-170.7-71.8-35.9000114.7S300 S301 R312 R400 K402S300-N404 PolarHBondContact O-ND2 3.5Å; S301-N404 VanDerWaalsContact CA-ND2 3.27Å; S301-N404 WeakPolarHBondContact CA-ND2 3.38Å; R312-N404 PolarHBondContact NH2-O 3Å; R400-N404 PolarHBondContact O-N 3.22Å; K402-N404 PolarHBondContact O-N 3.47Å
405Y70.1Confident81.1Confident6 Ų632.4 Ų32.42%0.02417%0.171CC..SBendtrans-124.7134-176.7-54.5-79.2000112R312 F315 L316 L401 E409R312-Y405 HydrophobicContact CG-CD1 4.15Å; R312-Y405 HydrophobicContact CG-CE1 3.73Å; F315-Y405 WeakPolarHBondContact CD1-OH 3.37Å; F315-Y405 WeakPolarHBondContact CE1-OH 3.36Å; L316-Y405 HydrophobicContact CB-CD1 4.29Å; L316-Y405 HydrophobicContact CB-CE1 4.23Å; L316-Y405 HydrophobicContact CD1-CD1 3.93Å; L316-Y405 HydrophobicContact CD1-CD2 3.49Å; L316-Y405 VanDerWaalsContact CD1-CD2 3.49Å; L316-Y405 HydrophobicContact CD1-CE1 4.21Å; L316-Y405 HydrophobicContact CD1-CE2 3.86Å; L316-Y405 HydrophobicContact CD1-CG 3.58Å; L316-Y405 HydrophobicContact CD2-CD1 3.84Å; L316-Y405 HydrophobicContact CD2-CG 3.91Å; L316-Y405 HydrophobicContact CG-CD1 4.24Å; L316-Y405 HydrophobicContact CG-CG 4.28Å; L401-Y405 VanDerWaalsContact O-CB 3.3Å; L401-Y405 WeakPolarHBondContact O-CB 3.3Å; L401-Y405 WeakPolarHBondContact O-CD2 3.43Å; L401-Y405 PolarHBondContact O-N 2.97Å; Y405-E409 WeakPolarHBondContact CA-OE2 3.32Å
406Q79Confident80.9Confident106 Ų10632.9 Ų32.950%0.49517%0.173SC..  trans-72.9150.9177.9-68-176.9-31.400109.6N408 E409 L410Q406-N408 PolarHBondContact O-N 2.85Å; Q406-E409 HydrophobicContact CB-CG 4.2Å; Q406-E409 PolarHBondContact N-OE2 2.78Å; Q406-E409 WeakPolarHBondContact O-CB 3.39Å; Q406-E409 PolarHBondContact O-N 2.89Å; Q406-L410 PolarHBondContact O-N 2.96Å
407L79.5Confident80.7Confident4 Ų435 Ų352%0.02119%0.19CC..Hα-helixtrans-58.2-37.5178.8179.956.7000111.8E409 L410 V411 Y416 L453 S456 V460 L468L407-E409 PolarHBondContact O-N 2.89Å; L407-L410 PolarHBondContact O-N 2.9Å; L407-V411 HydrophobicContact CD1-CG2 3.97Å; L407-V411 HydrophobicContact CG-CG2 4.17Å; L407-V411 WeakPolarHBondContact O-CG2 3.5Å; L407-V411 PolarHBondContact O-N 3.45Å; L407-Y416 HydrophobicContact CD1-CE2 4.43Å; L407-L453 HydrophobicContact CD1-CD2 3.9Å; L407-S456 WeakPolarHBondContact CB-OG 3.5Å; L407-S456 WeakPolarHBondContact CD2-OG 3.47Å; L407-V460 HydrophobicContact CB-CG2 4.19Å; L407-V460 HydrophobicContact CD2-CG2 3.41Å; L407-V460 VanDerWaalsContact CD2-CG2 3.41Å; L407-V460 HydrophobicContact CG-CG2 3.79Å; L407-L468 HydrophobicContact CD1-CD1 4.33Å; L407-L468 HydrophobicContact CD2-CD1 3.66Å
408N80.3Confident80.6Confident37 Ų3737.4 Ų37.420%0.19821%0.207CC..Hα-helixtrans-59-33.8176.4-62.1-1.8000112.4Q406 T412 Y459 V460Q406-N408 PolarHBondContact O-N 2.85Å; N408-T412 WeakPolarHBondContact O-CG2 3.1Å; N408-T412 PolarHBondContact O-N 3.39Å; N408-T412 PolarHBondContact O-OG1 2.95Å; N408-Y459 PolarHBondContact ND2-O 3.27Å; N408-V460 VanDerWaalsContact OD1-CA 3.3Å; N408-V460 WeakPolarHBondContact OD1-CA 3.42Å; N408-V460 WeakPolarHBondContact OD1-CG2 3.48Å
409E82Confident80.5Confident38 Ų3837.7 Ų37.718%0.17821%0.208CC..Hα-helixtrans-74.3-34178.2-61.1170.7156.500111.6R312 L316 Y405 Q406 L407 T412R312-E409 VanDerWaalsContact CZ-CD 3.44Å; R312-E409 IonicContact CZ-OE1 2.63Å; R312-E409 IonicContact CZ-OE2 3.42Å; R312-E409 IonicContact NE-OE1 3.48Å; R312-E409 IonicContact NE-OE2 3.99Å; R312-E409 IonicContact NH1-OE1 2.96Å; R312-E409 PolarHBondContact NH1-OE1 3.01Å; R312-E409 IonicContact NH1-OE2 3.44Å; R312-E409 IonicContact NH2-OE1 3.42Å; R312-E409 PolarHBondContact NH2-OE1 3.11Å; R312-E409 IonicContact NH2-OE2 2.65Å; R312-E409 PolarHBondContact NH2-OE2 3.17Å; L316-E409 HydrophobicContact CD2-CB 4.18Å; Y405-E409 WeakPolarHBondContact CA-OE2 3.32Å; Q406-E409 HydrophobicContact CB-CG 4.2Å; Q406-E409 PolarHBondContact N-OE2 2.78Å; Q406-E409 WeakPolarHBondContact O-CB 3.39Å; Q406-E409 PolarHBondContact O-N 2.89Å; L407-E409 PolarHBondContact O-N 2.89Å; E409-T412 PolarHBondContact O-OG1 3.36Å
410L83.8Confident80.6Confident5 Ų537.7 Ų37.73%0.02621%0.208CC..Hα-helixtrans-70.1-42.9175.2-71.4168.7000111.4L316 V320 Q406 L407 T412 L413 Y416 L453L316-L410 HydrophobicContact CD1-CD2 4.09Å; L316-L410 HydrophobicContact CD2-CD2 3.97Å; L316-L410 HydrophobicContact CD2-CG 4.47Å; L316-L410 HydrophobicContact CG-CD2 4.32Å; V320-L410 HydrophobicContact CG2-CD2 4.08Å; Q406-L410 PolarHBondContact O-N 2.96Å; L407-L410 PolarHBondContact O-N 2.9Å; L410-T412 VanDerWaalsContact C-N 3.26Å; L410-T412 PolarHBondContact O-N 2.93Å; L410-L413 HydrophobicContact CD2-CD1 4.21Å; L410-L413 WeakPolarHBondContact O-CB 3.49Å; L410-L413 PolarHBondContact O-N 3.31Å; L410-L413 VanDerWaalsContact O-N 3.16Å; L410-Y416 HydrophobicContact CB-CD2 4.05Å; L410-Y416 HydrophobicContact CB-CE2 4.08Å; L410-Y416 WeakPolarHBondContact O-CB 3.26Å; L410-Y416 VanDerWaalsContact O-CD2 3.27Å; L410-Y416 WeakPolarHBondContact O-CD2 3.36Å; L410-L453 HydrophobicContact CD1-CD2 4.21Å
411V83.3Confident80.8Confident25 Ų2541.4 Ų41.415%0.15223%0.226CC..Hα-helixtrans-65.8-29.1-177.8177.50000112L407 L413 Y416 D464 H466L407-V411 HydrophobicContact CD1-CG2 3.97Å; L407-V411 HydrophobicContact CG-CG2 4.17Å; L407-V411 WeakPolarHBondContact O-CG2 3.5Å; L407-V411 PolarHBondContact O-N 3.45Å; V411-L413 PolarHBondContact O-N 3.47Å; V411-Y416 HydrophobicContact CG2-CD1 4.44Å; V411-Y416 HydrophobicContact CG2-CE1 3.94Å; V411-Y416 HydrophobicContact CG2-CE2 4.04Å; V411-D464 HydrophobicContact CG1-CB 3.95Å; V411-H466 HydrophobicContact CG2-CB 4.26Å
412T82.3Confident81.3Confident95 Ų9542 Ų4258%0.58323%0.229SC*.THydrogen-bonded Turntrans-72.8-7.6176.350.50000114.7N408 E409 L410N408-T412 WeakPolarHBondContact O-CG2 3.1Å; N408-T412 PolarHBondContact O-N 3.39Å; N408-T412 PolarHBondContact O-OG1 2.95Å; E409-T412 PolarHBondContact O-OG1 3.36Å; L410-T412 VanDerWaalsContact C-N 3.26Å; L410-T412 PolarHBondContact O-N 2.93Å
413L83.7Confident82.3Confident17 Ų1740.9 Ų40.99%0.08922%0.224CC..SBendtrans-82.1136.1179.5-59.4170.2000111.1L316 V320 L410 V411 N415 Y416L316-L413 HydrophobicContact CD2-CD1 3.94Å; L316-L413 HydrophobicContact CG-CD1 3.86Å; V320-L413 HydrophobicContact CB-CD1 4.25Å; V320-L413 HydrophobicContact CG1-CD1 4.42Å; V320-L413 HydrophobicContact CG2-CD1 3.85Å; L410-L413 HydrophobicContact CD2-CD1 4.21Å; L410-L413 WeakPolarHBondContact O-CB 3.49Å; L410-L413 PolarHBondContact O-N 3.31Å; L410-L413 VanDerWaalsContact O-N 3.16Å; V411-L413 PolarHBondContact O-N 3.47Å; L413-N415 PolarHBondContact O-N 2.85Å; L413-N415 VanDerWaalsContact O-N 3.13Å; L413-Y416 VanDerWaalsContact O-CB 3.23Å; L413-Y416 WeakPolarHBondContact O-CB 3.32Å; L413-Y416 PolarHBondContact O-N 3.12Å
414D82.4Confident83.5Confident159 Ų15939.8 Ų39.885%0.8522%0.217SC*.THydrogen-bonded Turntrans-56.9-32.9179.7-60.2-38.5000113.3
415N83.3Confident84.7Confident74 Ų7442.7 Ų42.740%0.39623%0.232SC..THydrogen-bonded Turntrans-89.33.6-178-67.6-11.8000114.2L413 S417 S418 F419L413-N415 PolarHBondContact O-N 2.85Å; L413-N415 VanDerWaalsContact O-N 3.13Å; N415-S417 PolarHBondContact O-N 3.3Å; N415-S418 PolarHBondContact O-N 3.19Å; N415-F419 WeakPolarHBondContact O-CB 3.39Å; N415-F419 PolarHBondContact O-N 2.85Å
416Y86.7Confident85.7Confident11 Ų1143.1 Ų43.14%0.04323%0.233CC..Hα-helixtrans-57-45-173.5174.2-104.1000113.7L407 L410 V411 L413 F419 I420 H466L407-Y416 HydrophobicContact CD1-CE2 4.43Å; L410-Y416 HydrophobicContact CB-CD2 4.05Å; L410-Y416 HydrophobicContact CB-CE2 4.08Å; L410-Y416 WeakPolarHBondContact O-CB 3.26Å; L410-Y416 VanDerWaalsContact O-CD2 3.27Å; L410-Y416 WeakPolarHBondContact O-CD2 3.36Å; V411-Y416 HydrophobicContact CG2-CD1 4.44Å; V411-Y416 HydrophobicContact CG2-CE1 3.94Å; V411-Y416 HydrophobicContact CG2-CE2 4.04Å; L413-Y416 VanDerWaalsContact O-CB 3.23Å; L413-Y416 WeakPolarHBondContact O-CB 3.32Å; L413-Y416 PolarHBondContact O-N 3.12Å; Y416-F419 PolarHBondContact O-N 2.77Å; Y416-I420 HydrophobicContact CD2-CG1 4.02Å; Y416-I420 HydrophobicContact CE1-CG1 4.19Å; Y416-I420 HydrophobicContact CE2-CD1 4.09Å; Y416-I420 HydrophobicContact CE2-CG1 3.47Å; Y416-I420 VanDerWaalsContact CE2-CG1 3.47Å; Y416-I420 PolarHBondContact O-N 3.04Å; Y416-H466 WeakPolarHBondContact CE1-O 3.49Å; Y416-H466 PolarHBondContact OH-O 2.76Å
417S85.7Confident86.2Confident63 Ų6338.1 Ų38.144%0.44121%0.21SC..Hα-helixtrans-60-50.8-178.4530000111.4N415 I420 E421N415-S417 PolarHBondContact O-N 3.3Å; S417-I420 PolarHBondContact O-N 2.94Å; S417-E421 WeakPolarHBondContact O-CG 3.21Å; S417-E421 PolarHBondContact O-N 2.82Å; S417-E421 VanDerWaalsContact O-N 3.12Å
418S87.9Confident86.7Confident51 Ų5139 Ų3936%0.35722%0.216SC..Hα-helixtrans-62.3-43.6176.5-176.10000111.8N415 I420 E421 L422N415-S418 PolarHBondContact O-N 3.19Å; S418-I420 PolarHBondContact O-N 3.38Å; S418-E421 PolarHBondContact O-N 3.41Å; S418-L422 WeakPolarHBondContact O-CB 3.36Å; S418-L422 WeakPolarHBondContact O-CD1 3.36Å; S418-L422 VanDerWaalsContact O-CG 3.24Å; S418-L422 WeakPolarHBondContact O-CG 3.38Å; S418-L422 PolarHBondContact O-N 3.31Å
419F89.7Confident87Confident6 Ų639.1 Ų39.13%0.02622%0.216CC..Hα-helixtrans-57.8-49.7177.7175.4-110.4000112.4V320 C323 C324 L327 L398 L401 N415 Y416 L422 L423V320-F419 HydrophobicContact CG1-CB 3.99Å; V320-F419 HydrophobicContact CG1-CD1 4.33Å; V320-F419 HydrophobicContact CG1-CD2 3.97Å; V320-F419 HydrophobicContact CG1-CG 3.82Å; C323-F419 HydrophobicContact CB-CD2 4.5Å; C323-F419 HydrophobicContact CB-CE2 3.9Å; C324-F419 VanDerWaalsContact SG-CB 3.55Å; L327-F419 HydrophobicContact CD1-CD2 4.13Å; L327-F419 HydrophobicContact CD1-CE2 4.06Å; L398-F419 HydrophobicContact CD2-CE2 4.28Å; L398-F419 HydrophobicContact CD2-CZ 4.27Å; L401-F419 HydrophobicContact CD1-CE2 4.42Å; L401-F419 HydrophobicContact CD1-CZ 3.76Å; N415-F419 WeakPolarHBondContact O-CB 3.39Å; N415-F419 PolarHBondContact O-N 2.85Å; Y416-F419 PolarHBondContact O-N 2.77Å; F419-L422 PolarHBondContact O-N 2.89Å; F419-L423 HydrophobicContact CE1-CD2 4.12Å; F419-L423 HydrophobicContact CZ-CD2 4.14Å; F419-L423 VanDerWaalsContact O-CB 3.22Å; F419-L423 WeakPolarHBondContact O-CB 3.31Å; F419-L423 PolarHBondContact O-N 3.5Å
420I89.1Confident87.2Confident2 Ų237.3 Ų37.31%0.0121%0.208CC..Hα-helixtrans-66.8-39.7-178.4-77.6-64.3000112Y416 S417 S418 L423 T424 W450 L468 V471Y416-I420 HydrophobicContact CD2-CG1 4.02Å; Y416-I420 HydrophobicContact CE1-CG1 4.19Å; Y416-I420 HydrophobicContact CE2-CD1 4.09Å; Y416-I420 HydrophobicContact CE2-CG1 3.47Å; Y416-I420 VanDerWaalsContact CE2-CG1 3.47Å; Y416-I420 PolarHBondContact O-N 3.04Å; S417-I420 PolarHBondContact O-N 2.94Å; S418-I420 PolarHBondContact O-N 3.38Å; I420-L423 HydrophobicContact CD1-CD2 4.35Å; I420-L423 PolarHBondContact O-N 2.7Å; I420-T424 WeakPolarHBondContact O-CB 3.27Å; I420-T424 PolarHBondContact O-N 3.44Å; I420-T424 PolarHBondContact O-OG1 2.98Å; I420-W450 HydrophobicContact CD1-CH2 4.42Å; I420-L468 HydrophobicContact CD1-CD2 4.45Å; I420-V471 HydrophobicContact CG2-CG1 4.02Å; I420-V471 HydrophobicContact CG2-CG2 3.89Å
421E89.5Confident87.2Confident100 Ų10037.3 Ų37.347%0.46721%0.208SC..Hα-helixtrans-61.6-48.1176.1-75.1179.4-176.600111.4S417 S418 T424 I425S417-E421 WeakPolarHBondContact O-CG 3.21Å; S417-E421 PolarHBondContact O-N 2.82Å; S417-E421 VanDerWaalsContact O-N 3.12Å; S418-E421 PolarHBondContact O-N 3.41Å; E421-T424 WeakPolarHBondContact O-CB 3.37Å; E421-T424 PolarHBondContact O-N 3.34Å; E421-I425 WeakPolarHBondContact O-CG1 3.39Å; E421-I425 PolarHBondContact O-N 3.33Å; E421-I425 VanDerWaalsContact O-N 3.08Å
422L89.6Confident87.2Confident17 Ų1740.6 Ų40.69%0.08922%0.22CC..Hα-helixtrans-64.3-41.7178-69.6169.6000112.6L327 L328 S418 F419 T424 I425 F426L327-L422 HydrophobicContact CB-CB 3.85Å; L327-L422 HydrophobicContact CB-CD1 4.35Å; L327-L422 HydrophobicContact CD1-CB 4Å; L327-L422 HydrophobicContact CG-CB 4.5Å; L328-L422 HydrophobicContact CD1-CD1 4.43Å; L328-L422 HydrophobicContact CD2-CD1 3.76Å; L328-L422 HydrophobicContact CD2-CD2 3.74Å; L328-L422 HydrophobicContact CD2-CG 4.38Å; L328-L422 HydrophobicContact CG-CD1 3.64Å; L328-L422 HydrophobicContact CG-CD2 4.29Å; S418-L422 WeakPolarHBondContact O-CB 3.36Å; S418-L422 WeakPolarHBondContact O-CD1 3.36Å; S418-L422 VanDerWaalsContact O-CG 3.24Å; S418-L422 WeakPolarHBondContact O-CG 3.38Å; S418-L422 PolarHBondContact O-N 3.31Å; F419-L422 PolarHBondContact O-N 2.89Å; L422-T424 VanDerWaalsContact C-N 3.26Å; L422-T424 PolarHBondContact O-N 3.05Å; L422-I425 PolarHBondContact O-N 3.07Å; L422-F426 WeakPolarHBondContact O-CB 3.44Å; L422-F426 PolarHBondContact O-N 3.47Å
423L91.2Very high86.5Confident1 Ų142.2 Ų42.21%0.00522%0.221CC..Hα-helixtrans-62.1-36.7176.3-176.865.8000111.3L327 L398 F419 I420 T427 L449 W450L327-L423 HydrophobicContact CD1-CB 4.36Å; L398-L423 HydrophobicContact CD1-CD1 3.7Å; L398-L423 HydrophobicContact CD2-CD1 3.99Å; L398-L423 HydrophobicContact CG-CD1 4.36Å; F419-L423 HydrophobicContact CE1-CD2 4.12Å; F419-L423 HydrophobicContact CZ-CD2 4.14Å; F419-L423 VanDerWaalsContact O-CB 3.22Å; F419-L423 WeakPolarHBondContact O-CB 3.31Å; F419-L423 PolarHBondContact O-N 3.5Å; I420-L423 HydrophobicContact CD1-CD2 4.35Å; I420-L423 PolarHBondContact O-N 2.7Å; L423-T427 WeakPolarHBondContact O-CB 3.23Å; L423-T427 PolarHBondContact O-N 3.47Å; L423-T427 PolarHBondContact O-OG1 2.65Å; L423-L449 HydrophobicContact CD1-CD2 4.26Å; L423-L449 HydrophobicContact CD2-CD2 3.84Å; L423-W450 HydrophobicContact CB-CZ2 4.28Å; L423-W450 HydrophobicContact CD2-CH2 4.09Å; L423-W450 HydrophobicContact CD2-CZ2 3.74Å; L423-W450 HydrophobicContact CG-CH2 4.3Å; L423-W450 HydrophobicContact CG-CZ2 3.63Å
424T90Very high85.4Confident3 Ų344.7 Ų44.72%0.01823%0.23CC..Hα-helixtrans-64.7-49.9176.6-56.40000110.7I420 E421 L422 F426 T427 V428 V471 Q474 I475I420-T424 WeakPolarHBondContact O-CB 3.27Å; I420-T424 PolarHBondContact O-N 3.44Å; I420-T424 PolarHBondContact O-OG1 2.98Å; E421-T424 WeakPolarHBondContact O-CB 3.37Å; E421-T424 PolarHBondContact O-N 3.34Å; L422-T424 VanDerWaalsContact C-N 3.26Å; L422-T424 PolarHBondContact O-N 3.05Å; T424-F426 VanDerWaalsContact C-N 3.32Å; T424-F426 PolarHBondContact O-N 3.15Å; T424-T427 PolarHBondContact O-N 3.16Å; T424-V428 WeakPolarHBondContact O-CG2 3.28Å; T424-V428 PolarHBondContact O-N 3.42Å; T424-V471 HydrophobicContact CG2-CB 3.86Å; T424-V471 HydrophobicContact CG2-CG1 4.17Å; T424-V471 VanDerWaalsContact OG1-CB 3.29Å; T424-V471 WeakPolarHBondContact OG1-CB 3.4Å; T424-V471 WeakPolarHBondContact OG1-CG1 3.32Å; T424-Q474 HydrophobicContact CG2-CB 4.37Å; T424-I475 HydrophobicContact CG2-CD1 4.43Å; T424-I475 HydrophobicContact CG2-CG1 4.14Å
425I89.7Confident84.1Confident77 Ų7740.4 Ų40.440%0.39521%0.209SC..Hα-helixtrans-57.9-47.3177.3-65.3165.8000110.3E421 L422 T427 V428 N429E421-I425 WeakPolarHBondContact O-CG1 3.39Å; E421-I425 PolarHBondContact O-N 3.33Å; E421-I425 VanDerWaalsContact O-N 3.08Å; L422-I425 PolarHBondContact O-N 3.07Å; I425-T427 PolarHBondContact O-N 3.23Å; I425-V428 PolarHBondContact O-N 3.37Å; I425-N429 VanDerWaalsContact O-CG 3.3Å; I425-N429 PolarHBondContact O-N 3.28Å
426F90.3Very high82.7Confident14 Ų1442.2 Ų42.26%0.06122%0.219CC..Hα-helixtrans-60.7-43.3178.4176.1-103.6000112.8L327 Y391 F394 L398 L422 T424 N429 S430 L446L327-F426 HydrophobicContact CD2-CB 3.54Å; L327-F426 HydrophobicContact CD2-CD1 4.01Å; L327-F426 HydrophobicContact CD2-CD2 4.11Å; L327-F426 HydrophobicContact CD2-CG 3.62Å; Y391-F426 HydrophobicContact CD2-CE2 4.35Å; Y391-F426 AromaticContact CD2-CZ 3.9Å; Y391-F426 HydrophobicContact CD2-CZ 3.9Å; Y391-F426 HydrophobicContact CE2-CE1 4.32Å; Y391-F426 HydrophobicContact CE2-CE2 4.07Å; Y391-F426 AromaticContact CE2-CZ 3.5Å; Y391-F426 HydrophobicContact CE2-CZ 3.5Å; Y391-F426 VanDerWaalsContact CE2-CZ 3.5Å; F394-F426 HydrophobicContact CD1-CE1 4.1Å; F394-F426 HydrophobicContact CD1-CE2 4.38Å; F394-F426 AromaticContact CD1-CZ 3.77Å; F394-F426 HydrophobicContact CD1-CZ 3.77Å; F394-F426 HydrophobicContact CE1-CE1 4.08Å; F394-F426 HydrophobicContact CE1-CE2 4.36Å; F394-F426 AromaticContact CE1-CZ 3.99Å; F394-F426 HydrophobicContact CE1-CZ 3.99Å; L398-F426 HydrophobicContact CD1-CD1 4.2Å; L398-F426 HydrophobicContact CD1-CE1 3.94Å; L422-F426 WeakPolarHBondContact O-CB 3.44Å; L422-F426 PolarHBondContact O-N 3.47Å; T424-F426 VanDerWaalsContact C-N 3.32Å; T424-F426 PolarHBondContact O-N 3.15Å; F426-N429 PolarHBondContact O-N 3Å; F426-S430 VanDerWaalsContact O-CB 3.23Å; F426-S430 WeakPolarHBondContact O-CB 3.21Å; F426-S430 PolarHBondContact O-N 2.94Å; F426-S430 PolarHBondContact O-OG 3.27Å; F426-L446 HydrophobicContact CD1-CD1 4.49Å; F426-L446 HydrophobicContact CE1-CD1 4.01Å; F426-L446 HydrophobicContact CE1-CD2 4.11Å
427T90.4Very high81.2Confident1 Ų147 Ų471%0.00624%0.242CC..Hα-helixtrans-65.8-43178.4-54.90000111.2L423 T424 I425 S430 L431 W450 I475L423-T427 WeakPolarHBondContact O-CB 3.23Å; L423-T427 PolarHBondContact O-N 3.47Å; L423-T427 PolarHBondContact O-OG1 2.65Å; T424-T427 PolarHBondContact O-N 3.16Å; I425-T427 PolarHBondContact O-N 3.23Å; T427-S430 WeakPolarHBondContact O-CB 3.2Å; T427-S430 PolarHBondContact O-N 2.63Å; T427-L431 HydrophobicContact CG2-CD1 4.3Å; T427-L431 WeakPolarHBondContact O-CG 3.31Å; T427-L431 PolarHBondContact O-N 3.36Å; T427-W450 PolarHBondContact OG1-NE1 3.43Å; T427-I475 HydrophobicContact CG2-CG1 4.43Å; T427-I475 HydrophobicContact CG2-CG2 3.9Å
428V89.4Confident79.7Confident23 Ų2347.2 Ų47.214%0.13924%0.244CC..Hα-helixtrans-63.3-44.3178.3169.40000111.1T424 I425 L431 K432 I475 A478T424-V428 WeakPolarHBondContact O-CG2 3.28Å; T424-V428 PolarHBondContact O-N 3.42Å; I425-V428 PolarHBondContact O-N 3.37Å; V428-L431 PolarHBondContact O-N 3.49Å; V428-K432 HydrophobicContact CG1-CD 4.21Å; V428-K432 WeakPolarHBondContact O-CG 3.38Å; V428-K432 PolarHBondContact O-N 3.17Å; V428-K432 VanDerWaalsContact O-N 3.14Å; V428-I475 HydrophobicContact CG2-CG1 4.39Å; V428-A478 HydrophobicContact CB-CB 4.33Å; V428-A478 HydrophobicContact CG1-CB 3.89Å; V428-A478 HydrophobicContact CG2-CB 4.07Å
429N86.5Confident78.6Confident39 Ų3945.1 Ų45.121%0.20923%0.228CC..Hα-helixtrans-65.8-42.4176.9-67.6-7.8000111.5I425 F426 L431 K432 E433I425-N429 VanDerWaalsContact O-CG 3.3Å; I425-N429 PolarHBondContact O-N 3.28Å; F426-N429 PolarHBondContact O-N 3Å; N429-L431 VanDerWaalsContact C-N 3.26Å; N429-L431 PolarHBondContact O-N 3.49Å; N429-K432 PolarHBondContact O-N 3.33Å; N429-E433 PolarHBondContact O-N 2.87Å
430S86.3Confident77.7Confident1 Ų146.3 Ų46.31%0.00723%0.234CC..Hα-helixtrans-55.5-40.4174.3-71.30000112.6Y391 F426 T427Y391-S430 WeakPolarHBondContact CE2-OG 3.48Å; Y391-S430 WeakPolarHBondContact OH-CB 3.34Å; Y391-S430 PolarHBondContact OH-OG 3.04Å; F426-S430 VanDerWaalsContact O-CB 3.23Å; F426-S430 WeakPolarHBondContact O-CB 3.21Å; F426-S430 PolarHBondContact O-N 2.94Å; F426-S430 PolarHBondContact O-OG 3.27Å; T427-S430 WeakPolarHBondContact O-CB 3.2Å; T427-S430 PolarHBondContact O-N 2.63Å
431L85.2Confident77.1Confident4 Ų451 Ų512%0.02126%0.259CS..Hα-helixtrans-69.9-34.5176.2-71.2168.4000112.5T427 V428 N429 L443 I475 A478 Y479 T482T427-L431 HydrophobicContact CG2-CD1 4.3Å; T427-L431 WeakPolarHBondContact O-CG 3.31Å; T427-L431 PolarHBondContact O-N 3.36Å; V428-L431 PolarHBondContact O-N 3.49Å; N429-L431 VanDerWaalsContact C-N 3.26Å; N429-L431 PolarHBondContact O-N 3.49Å; L431-L443 HydrophobicContact CD2-CD1 4.3Å; L431-L443 HydrophobicContact CD2-CD2 3.91Å; L431-L443 HydrophobicContact CG-CD2 4.4Å; L431-I475 HydrophobicContact CD1-CG2 4.09Å; L431-A478 HydrophobicContact CD1-CB 4.23Å; L431-Y479 HydrophobicContact CD2-CD2 3.9Å; L431-T482 HydrophobicContact CB-CG2 4.25Å; L431-T482 WeakPolarHBondContact O-CB 3.24Å; L431-T482 WeakPolarHBondContact O-CG2 3.33Å
432K81.5Confident76.8Confident95 Ų9546.3 Ų46.341%0.41324%0.237SC..Hα-helixtrans-86-45.6-172.3-73.5-174.4177.2-150.70115V428 N429 E481 T482V428-K432 HydrophobicContact CG1-CD 4.21Å; V428-K432 WeakPolarHBondContact O-CG 3.38Å; V428-K432 PolarHBondContact O-N 3.17Å; V428-K432 VanDerWaalsContact O-N 3.14Å; N429-K432 PolarHBondContact O-N 3.33Å; K432-E481 VanDerWaalsContact CE-OE2 3.29Å; K432-E481 WeakPolarHBondContact CE-OE2 3.37Å; K432-E481 IonicContact NZ-OE1 3.83Å; K432-E481 IonicContact NZ-OE2 2.63Å; K432-E481 PolarHBondContact NZ-OE2 2.9Å; K432-T482 HydrophobicContact CB-CG2 4.23Å; K432-T482 HydrophobicContact CG-CG2 3.61Å
433E69.1Low76.5Confident129 Ų12945.8 Ų45.860%0.60323%0.234SC*.Hα-helixtrans-88.9-29.5-170.5-74.1179.4151.800113.3N429 T435N429-E433 PolarHBondContact O-N 2.87Å; E433-T435 PolarHBondContact O-N 3.44Å
434Y60.6Low76.2Confident68 Ų6847 Ų4727%0.26724%0.24SC..  trans-107.178.3-163.9-70-85.6000112.4
435T54.3Low76.1Confident69 Ų6949.3 Ų49.342%0.42325%0.249SC..  trans-922.8-178.857.20000115.9E433 K489E433-T435 PolarHBondContact O-N 3.44Å; T435-K489 PolarHBondContact OG1-NZ 3.34Å
436D53.9Low76.1Confident113 Ų11345.7 Ų45.760%0.60423%0.23SC*.SBendtrans-71.5146.7178.3-64.2-19.5000111.7S438 N439D436-S438 VanDerWaalsContact C-N 3.26Å; D436-S438 PolarHBondContact O-N 2.9Å; D436-N439 PolarHBondContact O-N 3.17Å
437E55.7Low76Confident111 Ų11145.2 Ų45.252%0.51923%0.229SC..THydrogen-bonded Turntrans-52.5-39.4-174.4-67.9-175.415200113.4N439 Q440 N558E437-N439 PolarHBondContact O-N 2.86Å; E437-N439 VanDerWaalsContact O-N 3.12Å; E437-Q440 PolarHBondContact O-N 3.28Å; E437-N558 VanDerWaalsContact OE1-O 3.06Å
438S54.7Low75.9Confident68 Ų6845.3 Ų45.348%0.47623%0.229SC..Hα-helixtrans-58.3-27.4179.856.90000113.4D436D436-S438 VanDerWaalsContact C-N 3.26Å; D436-S438 PolarHBondContact O-N 2.9Å
439N64.5Low75.9Confident6 Ų644.5 Ų44.53%0.03222%0.224CC..Hα-helixtrans-84.5-16.2-175.8-65.3-37.9000113.4Y391 D436 E437 N441 S442 L443Y391-N439 HydrophobicContact CE1-CB 4.46Å; D436-N439 PolarHBondContact O-N 3.17Å; E437-N439 PolarHBondContact O-N 2.86Å; E437-N439 VanDerWaalsContact O-N 3.12Å; N439-N441 VanDerWaalsContact C-N 3.29Å; N439-N441 PolarHBondContact O-N 2.91Å; N439-S442 WeakPolarHBondContact O-CB 3.48Å; N439-S442 PolarHBondContact O-N 3.09Å; N439-S442 VanDerWaalsContact O-N 3.13Å; N439-L443 WeakPolarHBondContact O-CG 3.3Å; N439-L443 PolarHBondContact O-N 2.93Å
440Q69.4Low76.1Confident31 Ų3142.6 Ų42.615%0.14521%0.214CC..Hα-helixtrans-65.6-36.5179.3-60.3-160.86.300112.2E437 S442 L443 H444E437-Q440 PolarHBondContact O-N 3.28Å; Q440-S442 VanDerWaalsContact C-N 3.31Å; Q440-S442 PolarHBondContact O-N 3.33Å; Q440-L443 PolarHBondContact O-N 3.31Å; Q440-H444 PolarHBondContact O-N 2.89Å
441N76.3Confident76.2Confident100 Ų10044.2 Ų44.254%0.53522%0.221SC..Hα-helixtrans-64.5-37173.9-65.9-18.7000111.3N439 H444N439-N441 VanDerWaalsContact C-N 3.29Å; N439-N441 PolarHBondContact O-N 2.91Å; N441-H444 WeakPolarHBondContact O-CB 3.04Å
442S83.2Confident76.2Confident2 Ų246.8 Ų46.81%0.01423%0.23CC..Hα-helixtrans-70.7-40.7175.7-51.60000112.5H392 N439 Q440 H444 Y445H392-S442 PolarHBondContact ND1-OG 3.35Å; N439-S442 WeakPolarHBondContact O-CB 3.48Å; N439-S442 PolarHBondContact O-N 3.09Å; N439-S442 VanDerWaalsContact O-N 3.13Å; Q440-S442 VanDerWaalsContact C-N 3.31Å; Q440-S442 PolarHBondContact O-N 3.33Å; S442-H444 PolarHBondContact O-N 2.71Å; S442-Y445 PolarHBondContact O-N 3.43Å; S442-Y445 VanDerWaalsContact O-N 3.08Å
443L83.5Confident76.4Confident6 Ų642.4 Ų42.43%0.03121%0.212CC..Hα-helixtrans-60.3-32.1178.4-76.2176.1000112.3L431 N439 Q440 Y445 L446 L447L431-L443 HydrophobicContact CD2-CD1 4.3Å; L431-L443 HydrophobicContact CD2-CD2 3.91Å; L431-L443 HydrophobicContact CG-CD2 4.4Å; N439-L443 WeakPolarHBondContact O-CG 3.3Å; N439-L443 PolarHBondContact O-N 2.93Å; Q440-L443 PolarHBondContact O-N 3.31Å; L443-Y445 VanDerWaalsContact C-N 3.26Å; L443-Y445 PolarHBondContact O-N 2.96Å; L443-L446 HydrophobicContact CD2-CD1 4.4Å; L443-L446 PolarHBondContact O-N 3.4Å; L443-L447 WeakPolarHBondContact O-CG 3.28Å; L443-L447 PolarHBondContact O-N 3.12Å
444H85.7Confident77.1Confident27 Ų2736.9 Ų36.913%0.12519%0.187CC..Hα-helixtrans-52.5-45.2173.2175.590000111.5Q440 N441 S442 L447 T448 Q571 Q575Q440-H444 PolarHBondContact O-N 2.89Å; N441-H444 WeakPolarHBondContact O-CB 3.04Å; S442-H444 PolarHBondContact O-N 2.71Å; H444-L447 PolarHBondContact O-N 3.3Å; H444-T448 PolarHBondContact NE2-OG1 3.37Å; H444-T448 WeakPolarHBondContact O-CB 3.36Å; H444-T448 PolarHBondContact O-N 3.09Å; H444-T448 PolarHBondContact O-OG1 2.88Å; H444-T448 VanDerWaalsContact O-OG1 3.07Å; H444-Q571 PolarHBondContact ND1-OE1 3.27Å; H444-Q575 PolarHBondContact CE1-NE2 3.26Å; H444-Q575 PolarHBondContact ND1-NE2 2.96Å; H444-Q575 PolarHBondContact O-NE2 3.12Å
445Y87.4Confident78.2Confident52 Ų5235 Ų3520%0.20419%0.186CC..Hα-helixtrans-67.2-39.4-178.8-63.2-59.6000112.8H392 L396 S399 S442 L443 T448 L449H392-Y445 AromaticContact CE1-CE2 3.56Å; H392-Y445 AromaticContact NE2-CE2 3.87Å; L396-Y445 HydrophobicContact CD1-CD1 3.88Å; L396-Y445 HydrophobicContact CD1-CD2 4.39Å; L396-Y445 HydrophobicContact CD1-CE1 3.63Å; L396-Y445 HydrophobicContact CD1-CE2 4.17Å; L396-Y445 HydrophobicContact CD1-CG 4.26Å; S399-Y445 WeakPolarHBondContact CB-O 3.21Å; S442-Y445 PolarHBondContact O-N 3.43Å; S442-Y445 VanDerWaalsContact O-N 3.08Å; L443-Y445 VanDerWaalsContact C-N 3.26Å; L443-Y445 PolarHBondContact O-N 2.96Å; Y445-T448 PolarHBondContact O-N 3.41Å; Y445-L449 WeakPolarHBondContact O-CB 3.43Å; Y445-L449 PolarHBondContact O-N 3.39Å
446L89.4Confident79.5Confident1 Ų132.7 Ų32.71%0.00517%0.172CC..Hα-helixtrans-65.7-45.7175.4-64.6-178.2000111.3C395 L398 F426 L443 L449 W450C395-L446 HydrophobicContact CB-CD2 4.13Å; C395-L446 HydrophobicContact CB-CG 4.13Å; L398-L446 HydrophobicContact CB-CD2 4.44Å; L398-L446 HydrophobicContact CD1-CD2 3.87Å; F426-L446 HydrophobicContact CD1-CD1 4.49Å; F426-L446 HydrophobicContact CE1-CD1 4.01Å; F426-L446 HydrophobicContact CE1-CD2 4.11Å; L443-L446 HydrophobicContact CD2-CD1 4.4Å; L443-L446 PolarHBondContact O-N 3.4Å; L446-L449 WeakPolarHBondContact O-CB 3.43Å; L446-L449 PolarHBondContact O-N 3.32Å; L446-W450 PolarHBondContact O-N 2.83Å; L446-W450 VanDerWaalsContact O-N 3.09Å
447L90Very high80.8Confident4 Ų429.1 Ų29.12%0.02115%0.152CC..Hα-helixtrans-66.1-38.1177.7-69.2177.8000111.7L443 H444 L449 W450 Q451 Y479 Q572 Q575 I579L443-L447 WeakPolarHBondContact O-CG 3.28Å; L443-L447 PolarHBondContact O-N 3.12Å; H444-L447 PolarHBondContact O-N 3.3Å; L447-L449 PolarHBondContact O-N 3.29Å; L447-W450 PolarHBondContact O-N 2.9Å; L447-Q451 VanDerWaalsContact O-CB 3.31Å; L447-Q451 WeakPolarHBondContact O-CB 3.38Å; L447-Q451 PolarHBondContact O-N 3.49Å; L447-Y479 HydrophobicContact CD1-CD2 4.33Å; L447-Y479 HydrophobicContact CD1-CE2 3.92Å; L447-Y479 HydrophobicContact CD2-CD2 4.44Å; L447-Q572 HydrophobicContact CD1-CB 4.41Å; L447-Q572 HydrophobicContact CD1-CG 4.14Å; L447-Q575 HydrophobicContact CB-CB 3.97Å; L447-Q575 HydrophobicContact CB-CG 4.22Å; L447-I579 HydrophobicContact CD2-CD1 4.12Å
448T88.4Confident81.8Confident3 Ų327 Ų272%0.01815%0.148CC..Hα-helixtrans-60.5-43.3171.9-71.40000111.7H444 Y445 W450 Q451 R452 Q575H444-T448 PolarHBondContact NE2-OG1 3.37Å; H444-T448 WeakPolarHBondContact O-CB 3.36Å; H444-T448 PolarHBondContact O-N 3.09Å; H444-T448 PolarHBondContact O-OG1 2.88Å; H444-T448 VanDerWaalsContact O-OG1 3.07Å; Y445-T448 PolarHBondContact O-N 3.41Å; T448-W450 VanDerWaalsContact C-N 3.35Å; T448-W450 PolarHBondContact O-N 3.04Å; T448-Q451 PolarHBondContact O-N 3.1Å; T448-R452 HydrophobicContact CG2-CG 4.29Å; T448-R452 WeakPolarHBondContact O-CB 3.29Å; T448-R452 VanDerWaalsContact O-CG 3.27Å; T448-R452 WeakPolarHBondContact O-CG 3.5Å; T448-R452 PolarHBondContact O-N 3.18Å; T448-Q575 PolarHBondContact OG1-NE2 3.48Å
449L89.2Confident82.8Confident5 Ų531.8 Ų31.83%0.02616%0.157CC..Hα-helixtrans-55.1-51.8174.9174.960.6000110.8L398 K402 L423 Y445 L446 L447 R452 L453L398-L449 HydrophobicContact CB-CD2 3.92Å; L398-L449 WeakPolarHBondContact O-CD1 3.42Å; K402-L449 HydrophobicContact CB-CD1 3.49Å; K402-L449 VanDerWaalsContact CB-CD1 3.49Å; L423-L449 HydrophobicContact CD1-CD2 4.26Å; L423-L449 HydrophobicContact CD2-CD2 3.84Å; Y445-L449 WeakPolarHBondContact O-CB 3.43Å; Y445-L449 PolarHBondContact O-N 3.39Å; L446-L449 WeakPolarHBondContact O-CB 3.43Å; L446-L449 PolarHBondContact O-N 3.32Å; L447-L449 PolarHBondContact O-N 3.29Å; L449-R452 PolarHBondContact O-N 3.02Å; L449-L453 HydrophobicContact CD1-CD1 4.06Å; L449-L453 HydrophobicContact CD1-CG 4.28Å; L449-L453 HydrophobicContact CG-CD1 3.98Å; L449-L453 WeakPolarHBondContact O-CB 3.25Å; L449-L453 VanDerWaalsContact O-CG 3.29Å; L449-L453 WeakPolarHBondContact O-CG 3.47Å; L449-L453 PolarHBondContact O-N 2.94Å
450W90.6Very high83.1Confident0 Ų032.5 Ų32.50%016%0.162CC..Hα-helixtrans-66.3-44.2-180-71.8113.5000113.1I420 L423 T427 L446 L447 T448 R452 L453 V454 L468 V471 I475 I579I420-W450 HydrophobicContact CD1-CH2 4.42Å; L423-W450 HydrophobicContact CB-CZ2 4.28Å; L423-W450 HydrophobicContact CD2-CH2 4.09Å; L423-W450 HydrophobicContact CD2-CZ2 3.74Å; L423-W450 HydrophobicContact CG-CH2 4.3Å; L423-W450 HydrophobicContact CG-CZ2 3.63Å; T427-W450 PolarHBondContact OG1-NE1 3.43Å; L446-W450 PolarHBondContact O-N 2.83Å; L446-W450 VanDerWaalsContact O-N 3.09Å; L447-W450 PolarHBondContact O-N 2.9Å; T448-W450 VanDerWaalsContact C-N 3.35Å; T448-W450 PolarHBondContact O-N 3.04Å; W450-R452 VanDerWaalsContact C-N 3.27Å; W450-R452 PolarHBondContact O-N 3.19Å; W450-L453 HydrophobicContact CD2-CD1 4.39Å; W450-L453 HydrophobicContact CE3-CD1 3.91Å; W450-L453 HydrophobicContact CZ3-CD1 4.16Å; W450-L453 PolarHBondContact O-N 3.24Å; W450-V454 WeakPolarHBondContact O-CG2 3.15Å; W450-V454 PolarHBondContact O-N 3.19Å; W450-L468 HydrophobicContact CE3-CD2 4.46Å; W450-L468 HydrophobicContact CZ3-CD2 3.89Å; W450-V471 HydrophobicContact CH2-CG2 4.27Å; W450-V471 HydrophobicContact CZ3-CG2 4.07Å; W450-I475 HydrophobicContact CD2-CD1 3.41Å; W450-I475 VanDerWaalsContact CD2-CD1 3.41Å; W450-I475 HydrophobicContact CE3-CD1 3.71Å; W450-I475 HydrophobicContact CG-CD1 4Å; W450-I475 HydrophobicContact CH2-CD1 3.66Å; W450-I475 HydrophobicContact CZ2-CD1 3.35Å; W450-I475 HydrophobicContact CZ3-CD1 3.83Å; W450-I579 HydrophobicContact CB-CD1 3.67Å; W450-I579 HydrophobicContact CB-CG1 4.03Å
451Q87.8Confident82.9Confident34 Ų3437 Ų3716%0.15918%0.182CC..Hα-helixtrans-52.3-51.2174.2171.7-17935.800109.8L447 T448 V454 A455 D574 Q575 T578 I579L447-Q451 VanDerWaalsContact O-CB 3.31Å; L447-Q451 WeakPolarHBondContact O-CB 3.38Å; L447-Q451 PolarHBondContact O-N 3.49Å; T448-Q451 PolarHBondContact O-N 3.1Å; Q451-V454 PolarHBondContact O-N 2.79Å; Q451-A455 VanDerWaalsContact O-CB 3.29Å; Q451-A455 WeakPolarHBondContact O-CB 3.4Å; Q451-A455 PolarHBondContact O-N 3.16Å; Q451-D574 PolarHBondContact NE2-OD2 3.32Å; Q451-Q575 HydrophobicContact CB-CB 4.25Å; Q451-Q575 HydrophobicContact CB-CG 4.31Å; Q451-Q575 VanDerWaalsContact OE1-CG 3.29Å; Q451-T578 HydrophobicContact CG-CG2 3.85Å; Q451-T578 PolarHBondContact NE2-OG1 3.23Å; Q451-I579 HydrophobicContact CB-CD1 4.42Å; Q451-I579 HydrophobicContact CB-CG1 4.19Å
452R84.7Confident82.1Confident58 Ų5838.7 Ų38.722%0.21920%0.202CC..Hα-helixtrans-67.3-42.8-178.9-67.1-178.8170.4129.217.4110.5D254 K402 C403 T448 L449 W450 V454 A455 S456D254-R452 IonicContact OD2-CZ 3.8Å; D254-R452 IonicContact OD2-NH1 2.9Å; D254-R452 PolarHBondContact OD2-NH1 3.21Å; D254-R452 IonicContact OD2-NH2 3.57Å; D254-R452 PolarHBondContact OD2-NH2 2.92Å; K402-R452 VanDerWaalsContact CD-C 3.48Å; K402-R452 HydrophobicContact CD-CB 3.07Å; K402-R452 HydrophobicContact CD-CG 4.24Å; K402-R452 VanDerWaalsContact CE-CB 3.47Å; K402-R452 WeakPolarHBondContact CE-O 3.29Å; K402-R452 HydrophobicContact CG-CB 4.49Å; K402-R452 PolarHBondContact NZ-O 3.12Å; C403-R452 PolarHBondContact SG-NH1 2.89Å; T448-R452 HydrophobicContact CG2-CG 4.29Å; T448-R452 WeakPolarHBondContact O-CB 3.29Å; T448-R452 VanDerWaalsContact O-CG 3.27Å; T448-R452 WeakPolarHBondContact O-CG 3.5Å; T448-R452 PolarHBondContact O-N 3.18Å; L449-R452 PolarHBondContact O-N 3.02Å; W450-R452 VanDerWaalsContact C-N 3.27Å; W450-R452 PolarHBondContact O-N 3.19Å; R452-V454 VanDerWaalsContact C-N 3.34Å; R452-V454 PolarHBondContact O-N 2.9Å; R452-A455 PolarHBondContact O-N 3.16Å; R452-S456 PolarHBondContact O-N 3.22Å; R452-S456 VanDerWaalsContact O-N 3.14Å; R452-S456 PolarHBondContact O-OG 3.33Å
453L86.3Confident80.8Confident3 Ų343.1 Ų43.12%0.01623%0.233CC..Hα-helixtrans-53.5-49.5175.4-77.5170000111.5K402 L407 L410 L449 W450 S456 L468K402-L453 HydrophobicContact CB-CD2 4.49Å; K402-L453 HydrophobicContact CD-CG 4.47Å; K402-L453 HydrophobicContact CG-CD2 3.86Å; K402-L453 HydrophobicContact CG-CG 4.14Å; L407-L453 HydrophobicContact CD1-CD2 3.9Å; L410-L453 HydrophobicContact CD1-CD2 4.21Å; L449-L453 HydrophobicContact CD1-CD1 4.06Å; L449-L453 HydrophobicContact CD1-CG 4.28Å; L449-L453 HydrophobicContact CG-CD1 3.98Å; L449-L453 WeakPolarHBondContact O-CB 3.25Å; L449-L453 VanDerWaalsContact O-CG 3.29Å; L449-L453 WeakPolarHBondContact O-CG 3.47Å; L449-L453 PolarHBondContact O-N 2.94Å; W450-L453 HydrophobicContact CD2-CD1 4.39Å; W450-L453 HydrophobicContact CE3-CD1 3.91Å; W450-L453 HydrophobicContact CZ3-CD1 4.16Å; W450-L453 PolarHBondContact O-N 3.24Å; L453-S456 PolarHBondContact O-N 2.84Å; L453-S456 PolarHBondContact O-OG 3.47Å; L453-L468 HydrophobicContact CB-CD1 4.31Å; L453-L468 HydrophobicContact CB-CD2 4.44Å
454V84.3Confident79.7Confident13 Ų1345.2 Ų45.28%0.07924%0.244CC..Hα-helixtrans-65.4-44.5177.7173.70000111.7W450 Q451 R452 S456 I457 T472 T578 C582W450-V454 WeakPolarHBondContact O-CG2 3.15Å; W450-V454 PolarHBondContact O-N 3.19Å; Q451-V454 PolarHBondContact O-N 2.79Å; R452-V454 VanDerWaalsContact C-N 3.34Å; R452-V454 PolarHBondContact O-N 2.9Å; V454-S456 PolarHBondContact O-N 3.35Å; V454-S456 VanDerWaalsContact O-N 3.09Å; V454-I457 HydrophobicContact CB-CD1 4.36Å; V454-I457 HydrophobicContact CG1-CD1 4.14Å; V454-I457 WeakPolarHBondContact O-CB 3.35Å; V454-I457 VanDerWaalsContact O-CG1 3.27Å; V454-I457 WeakPolarHBondContact O-CG1 3.18Å; V454-I457 PolarHBondContact O-N 2.91Å; V454-T472 HydrophobicContact CG2-CG2 3.99Å; V454-T578 WeakPolarHBondContact CG1-O 3.46Å; V454-C582 HydrophobicContact CG1-CB 3.84Å; V454-C582 HydrophobicContact CG2-CB 4.15Å
455A83.4Confident78.8Confident30 Ų3049.6 Ų49.625%0.24827%0.273CS..Hα-helixtrans-61.4-21.317900000113.6Q451 R452 P458 T578Q451-A455 VanDerWaalsContact O-CB 3.29Å; Q451-A455 WeakPolarHBondContact O-CB 3.4Å; Q451-A455 PolarHBondContact O-N 3.16Å; R452-A455 PolarHBondContact O-N 3.16Å; A455-P458 WeakPolarHBondContact O-CD 3.35Å; A455-T578 HydrophobicContact CB-CG2 4.22Å
456S81.9Confident78.2Confident19 Ų1948.5 Ų48.513%0.13327%0.27CS..THydrogen-bonded Turntrans-87.6-9.5176.459.90000115.5K402 L407 R452 L453 V454 P458 Y459K402-S456 VanDerWaalsContact NZ-CB 3.32Å; K402-S456 PolarHBondContact NZ-OG 3.19Å; L407-S456 WeakPolarHBondContact CB-OG 3.5Å; L407-S456 WeakPolarHBondContact CD2-OG 3.47Å; R452-S456 PolarHBondContact O-N 3.22Å; R452-S456 VanDerWaalsContact O-N 3.14Å; R452-S456 PolarHBondContact O-OG 3.33Å; L453-S456 PolarHBondContact O-N 2.84Å; L453-S456 PolarHBondContact O-OG 3.47Å; V454-S456 PolarHBondContact O-N 3.35Å; V454-S456 VanDerWaalsContact O-N 3.09Å; S456-P458 VanDerWaalsContact C-N 3.32Å; S456-Y459 PolarHBondContact O-N 3.15Å
457I80.5Confident77.7Confident38 Ų3851.8 Ų51.820%0.19529%0.286CS..G310 helixtrans-50.9-43.5-179.3-67169.9000112.7V454 Y459 V460 L468V454-I457 HydrophobicContact CB-CD1 4.36Å; V454-I457 HydrophobicContact CG1-CD1 4.14Å; V454-I457 WeakPolarHBondContact O-CB 3.35Å; V454-I457 VanDerWaalsContact O-CG1 3.27Å; V454-I457 WeakPolarHBondContact O-CG1 3.18Å; V454-I457 PolarHBondContact O-N 2.91Å; I457-Y459 PolarHBondContact O-N 3.18Å; I457-V460 PolarHBondContact O-N 3.11Å; I457-V460 VanDerWaalsContact O-N 3.09Å; I457-L468 HydrophobicContact CD1-CB 4.08Å; I457-L468 HydrophobicContact CD1-CD1 4.01Å; I457-L468 HydrophobicContact CG1-CD1 3.75Å
458P75.8Confident77.4Confident67 Ų6751.6 Ų51.644%0.43529%0.285SS..G310 helixtrans-62.4-16.2-179.8-23.635.2000115.1A455 S456A455-P458 WeakPolarHBondContact O-CD 3.35Å; S456-P458 VanDerWaalsContact C-N 3.32Å
459Y76.7Confident77.1Confident169 Ų16955.1 Ų55.166%0.66330%0.304SS*.G310 helixtrans-100.21.8-178.7-54.8-80.5000112.9N408 S456 I457N408-Y459 PolarHBondContact ND2-O 3.27Å; S456-Y459 PolarHBondContact O-N 3.15Å; I457-Y459 PolarHBondContact O-N 3.18Å
460V70.8Confident76.9Confident20 Ų2058.7 Ų58.712%0.12133%0.326CS..SBendtrans-84.5137.5175.2-173.60000109.6L407 N408 I457 D464L407-V460 HydrophobicContact CB-CG2 4.19Å; L407-V460 HydrophobicContact CD2-CG2 3.41Å; L407-V460 VanDerWaalsContact CD2-CG2 3.41Å; L407-V460 HydrophobicContact CG-CG2 3.79Å; N408-V460 VanDerWaalsContact OD1-CA 3.3Å; N408-V460 WeakPolarHBondContact OD1-CA 3.42Å; N408-V460 WeakPolarHBondContact OD1-CG2 3.48Å; I457-V460 PolarHBondContact O-N 3.11Å; I457-V460 VanDerWaalsContact O-N 3.09Å; V460-D464 HydrophobicContact CG1-CB 4.04Å
461H64.9Low76.7Confident125 Ų12559 Ų5958%0.57933%0.328SS*.  trans-66.5137.5176.1-66.4-57.9000110.2S463 D464H461-S463 PolarHBondContact O-N 3.23Å; H461-D464 PolarHBondContact O-N 3.45Å
462S58.7Low76.7Confident137 Ų13757.4 Ų57.496%0.95832%0.32SS*.THydrogen-bonded Turntrans-61.6-11.1-172.956.20000115.2
463S57.1Low76.8Confident94 Ų9455.2 Ų55.266%0.65731%0.314SS*.THydrogen-bonded Turntrans-76.7-21174.847.70000113.7H461H461-S463 PolarHBondContact O-N 3.23Å
464D61Low77Confident51 Ų5160.1 Ų60.127%0.27334%0.337SS..SBendtrans-99.7116-162.4-55.4-15000110.7V411 V460 H461 H466V411-D464 HydrophobicContact CG1-CB 3.95Å; V460-D464 HydrophobicContact CG1-CB 4.04Å; H461-D464 PolarHBondContact O-N 3.45Å; D464-H466 PolarHBondContact O-N 3.37Å
465T66Low77.3Confident119 Ų11959.6 Ų59.673%0.7333%0.333SS*.  trans-7492.4-179.849.40000111.1M467T465-M467 PolarHBondContact O-N 3.27Å
466H74.1Confident77.7Confident29 Ų2958.2 Ų58.213%0.13432%0.322CS..  trans-77.2-9.7-176.656.776.6000115.3V411 Y416 D464 L468 D469V411-H466 HydrophobicContact CG2-CB 4.26Å; Y416-H466 WeakPolarHBondContact CE1-O 3.49Å; Y416-H466 PolarHBondContact OH-O 2.76Å; D464-H466 PolarHBondContact O-N 3.37Å; H466-L468 HydrophobicContact CB-CG 4.48Å; H466-L468 WeakPolarHBondContact ND1-CB 3.21Å; H466-L468 PolarHBondContact ND1-N 3.12Å; H466-L468 PolarHBondContact O-N 3.31Å; H466-D469 IonicContact CE1-OD1 2.8Å; H466-D469 IonicContact CE1-OD2 3.88Å
467M80.3Confident78.2Confident70 Ų7060.4 Ų60.435%0.34533%0.332SS..  trans59.1-11.9-178-61.4-73.9-81.600116.3T465 D469 T470 V471T465-M467 PolarHBondContact O-N 3.27Å; M467-D469 PolarHBondContact O-N 3.12Å; M467-D469 VanDerWaalsContact O-N 3.08Å; M467-T470 PolarHBondContact O-N 3.47Å; M467-T470 PolarHBondContact O-OG1 3.19Å; M467-V471 PolarHBondContact O-N 2.7Å
468L83.2Confident78.6Confident0 Ų058.8 Ų58.80%032%0.324CS..Hα-helixtrans-55.7-30.8-177.6-63175000113.7L407 I420 W450 L453 I457 H466 T470 V471 T472L407-L468 HydrophobicContact CD1-CD1 4.33Å; L407-L468 HydrophobicContact CD2-CD1 3.66Å; I420-L468 HydrophobicContact CD1-CD2 4.45Å; W450-L468 HydrophobicContact CE3-CD2 4.46Å; W450-L468 HydrophobicContact CZ3-CD2 3.89Å; L453-L468 HydrophobicContact CB-CD1 4.31Å; L453-L468 HydrophobicContact CB-CD2 4.44Å; I457-L468 HydrophobicContact CD1-CB 4.08Å; I457-L468 HydrophobicContact CD1-CD1 4.01Å; I457-L468 HydrophobicContact CG1-CD1 3.75Å; H466-L468 HydrophobicContact CB-CG 4.48Å; H466-L468 WeakPolarHBondContact ND1-CB 3.21Å; H466-L468 PolarHBondContact ND1-N 3.12Å; H466-L468 PolarHBondContact O-N 3.31Å; L468-T470 VanDerWaalsContact C-N 3.27Å; L468-T470 PolarHBondContact O-N 3.46Å; L468-V471 HydrophobicContact CD2-CG2 4.29Å; L468-T472 WeakPolarHBondContact O-CB 3.35Å; L468-T472 PolarHBondContact O-N 3.18Å; L468-T472 PolarHBondContact O-OG1 3.45Å
469D81.9Confident79.4Confident76 Ų7655.7 Ų55.741%0.40630%0.304SS..Hα-helixtrans-66.4-25.8178-67.4-18.7000113.4H466 M467 P473 V583H466-D469 IonicContact CE1-OD1 2.8Å; H466-D469 IonicContact CE1-OD2 3.88Å; M467-D469 PolarHBondContact O-N 3.12Å; M467-D469 VanDerWaalsContact O-N 3.08Å; D469-P473 WeakPolarHBondContact O-CD 3.33Å; D469-P473 WeakPolarHBondContact O-CG 3.38Å; D469-V583 HydrophobicContact CB-CG2 3.82Å; D469-V583 VanDerWaalsContact O-CG2 3.27Å; D469-V583 WeakPolarHBondContact O-CG2 3.48Å
470T84.8Confident80Confident81 Ų8147.8 Ų47.850%0.49727%0.273SS..Hα-helixtrans-90.4-33.8179.6560000112.5M467 L468 Q474M467-T470 PolarHBondContact O-N 3.47Å; M467-T470 PolarHBondContact O-OG1 3.19Å; L468-T470 VanDerWaalsContact C-N 3.27Å; L468-T470 PolarHBondContact O-N 3.46Å; T470-Q474 PolarHBondContact O-NE2 3.33Å
471V85.9Confident81Confident6 Ų651 Ų514%0.03629%0.286CS..Hα-helixtrans-88.2-37.2-176.4-65.10000113.8I420 T424 W450 M467 L468 Q474 I475I420-V471 HydrophobicContact CG2-CG1 4.02Å; I420-V471 HydrophobicContact CG2-CG2 3.89Å; T424-V471 HydrophobicContact CG2-CB 3.86Å; T424-V471 HydrophobicContact CG2-CG1 4.17Å; T424-V471 VanDerWaalsContact OG1-CB 3.29Å; T424-V471 WeakPolarHBondContact OG1-CB 3.4Å; T424-V471 WeakPolarHBondContact OG1-CG1 3.32Å; W450-V471 HydrophobicContact CH2-CG2 4.27Å; W450-V471 HydrophobicContact CZ3-CG2 4.07Å; M467-V471 PolarHBondContact O-N 2.7Å; L468-V471 HydrophobicContact CD2-CG2 4.29Å; V471-Q474 WeakPolarHBondContact O-CB 3.48Å; V471-Q474 PolarHBondContact O-N 3.25Å; V471-I475 PolarHBondContact O-N 2.82Å
472T87.8Confident82.1Confident0 Ų045.7 Ų45.70%026%0.263CS..Hα-helixtrans-58.9-41.4-174.9-52.50000113.4V454 L468 Q474 I475 I476 I579 C582V454-T472 HydrophobicContact CG2-CG2 3.99Å; L468-T472 WeakPolarHBondContact O-CB 3.35Å; L468-T472 PolarHBondContact O-N 3.18Å; L468-T472 PolarHBondContact O-OG1 3.45Å; T472-Q474 PolarHBondContact O-N 3.12Å; T472-I475 PolarHBondContact O-N 3.48Å; T472-I476 HydrophobicContact CG2-CG1 4.44Å; T472-I476 PolarHBondContact O-N 2.94Å; T472-I476 VanDerWaalsContact O-N 3.12Å; T472-I579 HydrophobicContact CG2-CB 4.48Å; T472-I579 HydrophobicContact CG2-CG2 3.29Å; T472-I579 WeakPolarHBondContact CG2-O 3.33Å; T472-C582 HydrophobicContact CG2-CB 3.5Å; T472-C582 PolarHBondContact OG1-SG 3.31Å
473P88.2Confident83.5Confident13 Ų1339.9 Ų39.98%0.08422%0.22CC..Hα-helixtrans-60-28.8175.7-26.236.8000114D469 N477 V583D469-P473 WeakPolarHBondContact O-CD 3.33Å; D469-P473 WeakPolarHBondContact O-CG 3.38Å; P473-N477 WeakPolarHBondContact O-CB 3.47Å; P473-N477 PolarHBondContact O-N 3.26Å; P473-N477 PolarHBondContact O-ND2 2.97Å; P473-N477 VanDerWaalsContact O-ND2 3.15Å; P473-V583 HydrophobicContact CG-CB 4.12Å; P473-V583 HydrophobicContact CG-CG2 4.2Å
474Q89.7Confident85Confident106 Ų10635.8 Ų35.850%0.49519%0.191SC..Hα-helixtrans-69.4-42.3178.9-56.7179.138.600111.1T424 T470 V471 T472 N477 A478T424-Q474 HydrophobicContact CG2-CB 4.37Å; T470-Q474 PolarHBondContact O-NE2 3.33Å; V471-Q474 WeakPolarHBondContact O-CB 3.48Å; V471-Q474 PolarHBondContact O-N 3.25Å; T472-Q474 PolarHBondContact O-N 3.12Å; Q474-N477 PolarHBondContact O-N 2.99Å; Q474-A478 WeakPolarHBondContact O-CB 3.23Å; Q474-A478 PolarHBondContact O-N 3.48Å
475I91.3Very high86.3Confident1 Ų138.4 Ų38.41%0.00521%0.205CC..Hα-helixtrans-65.7-43.7178.6-59.7166.7000110.2T424 T427 V428 L431 W450 V471 T472 A478 Y479T424-I475 HydrophobicContact CG2-CD1 4.43Å; T424-I475 HydrophobicContact CG2-CG1 4.14Å; T427-I475 HydrophobicContact CG2-CG1 4.43Å; T427-I475 HydrophobicContact CG2-CG2 3.9Å; V428-I475 HydrophobicContact CG2-CG1 4.39Å; L431-I475 HydrophobicContact CD1-CG2 4.09Å; W450-I475 HydrophobicContact CD2-CD1 3.41Å; W450-I475 VanDerWaalsContact CD2-CD1 3.41Å; W450-I475 HydrophobicContact CE3-CD1 3.71Å; W450-I475 HydrophobicContact CG-CD1 4Å; W450-I475 HydrophobicContact CH2-CD1 3.66Å; W450-I475 HydrophobicContact CZ2-CD1 3.35Å; W450-I475 HydrophobicContact CZ3-CD1 3.83Å; V471-I475 PolarHBondContact O-N 2.82Å; T472-I475 PolarHBondContact O-N 3.48Å; I475-A478 PolarHBondContact O-N 3.27Å; I475-Y479 WeakPolarHBondContact O-CB 3.39Å; I475-Y479 PolarHBondContact O-N 3.25Å
476I90.9Very high87.1Confident2 Ų233.2 Ų33.21%0.0117%0.174CC..Hα-helixtrans-63.2-47.2178-71.6-70.1000111.6T472 A478 Y479 I480 F576 I579 T587T472-I476 HydrophobicContact CG2-CG1 4.44Å; T472-I476 PolarHBondContact O-N 2.94Å; T472-I476 VanDerWaalsContact O-N 3.12Å; I476-A478 VanDerWaalsContact C-N 3.3Å; I476-A478 PolarHBondContact O-N 3.42Å; I476-Y479 WeakPolarHBondContact O-CB 3.28Å; I476-Y479 PolarHBondContact O-N 3.41Å; I476-Y479 VanDerWaalsContact O-N 3.17Å; I476-I480 HydrophobicContact CG2-CD1 3.82Å; I476-I480 VanDerWaalsContact O-CG1 3.32Å; I476-I480 WeakPolarHBondContact O-CG1 3.46Å; I476-I480 PolarHBondContact O-N 2.83Å; I476-F576 HydrophobicContact CD1-CD2 3.68Å; I476-F576 HydrophobicContact CD1-CE2 3.67Å; I476-F576 HydrophobicContact CD1-CG 4.47Å; I476-F576 HydrophobicContact CD1-CZ 4.44Å; I476-F576 HydrophobicContact CG2-CE2 4.09Å; I476-F576 HydrophobicContact CG2-CZ 4.42Å; I476-I579 HydrophobicContact CD1-CB 3.89Å; I476-I579 HydrophobicContact CD1-CG2 3.56Å; I476-I579 HydrophobicContact CG1-CG2 3.7Å; I476-T587 HydrophobicContact CG2-CG2 3.68Å
477N92Very high87.7Confident65 Ų6531.9 Ų31.935%0.34817%0.167SC..Hα-helixtrans-62-40.5177.2-72.2-26.3000111.4P473 Q474 I480 E481 T590P473-N477 WeakPolarHBondContact O-CB 3.47Å; P473-N477 PolarHBondContact O-N 3.26Å; P473-N477 PolarHBondContact O-ND2 2.97Å; P473-N477 VanDerWaalsContact O-ND2 3.15Å; Q474-N477 PolarHBondContact O-N 2.99Å; N477-I480 PolarHBondContact O-N 3.25Å; N477-E481 VanDerWaalsContact O-CB 3.27Å; N477-E481 WeakPolarHBondContact O-CB 3.5Å; N477-E481 PolarHBondContact O-N 3.45Å; N477-T590 PolarHBondContact OD1-OG1 3.01Å
478A90.1Very high87.8Confident3 Ų331.8 Ų31.83%0.02517%0.172CC..Hα-helixtrans-63-4117400000112.1V428 L431 Q474 I475 I476 T482V428-A478 HydrophobicContact CB-CB 4.33Å; V428-A478 HydrophobicContact CG1-CB 3.89Å; V428-A478 HydrophobicContact CG2-CB 4.07Å; L431-A478 HydrophobicContact CD1-CB 4.23Å; Q474-A478 WeakPolarHBondContact O-CB 3.23Å; Q474-A478 PolarHBondContact O-N 3.48Å; I475-A478 PolarHBondContact O-N 3.27Å; I476-A478 VanDerWaalsContact C-N 3.3Å; I476-A478 PolarHBondContact O-N 3.42Å; A478-T482 VanDerWaalsContact O-CB 3.32Å; A478-T482 WeakPolarHBondContact O-CB 3.39Å; A478-T482 WeakPolarHBondContact O-CG2 3.42Å; A478-T482 PolarHBondContact O-N 3.33Å; A478-T482 PolarHBondContact O-OG1 2.73Å
479Y91.1Very high87.7Confident2 Ų237 Ų371%0.00820%0.195CC..Hα-helixtrans-62.1-46.8175.7-174.3-87.5000111.7L431 L447 I475 I476 T482 R483 Q572 F576 M638L431-Y479 HydrophobicContact CD2-CD2 3.9Å; L447-Y479 HydrophobicContact CD1-CD2 4.33Å; L447-Y479 HydrophobicContact CD1-CE2 3.92Å; L447-Y479 HydrophobicContact CD2-CD2 4.44Å; I475-Y479 WeakPolarHBondContact O-CB 3.39Å; I475-Y479 PolarHBondContact O-N 3.25Å; I476-Y479 WeakPolarHBondContact O-CB 3.28Å; I476-Y479 PolarHBondContact O-N 3.41Å; I476-Y479 VanDerWaalsContact O-N 3.17Å; Y479-T482 PolarHBondContact O-N 3.49Å; Y479-T482 PolarHBondContact O-OG1 2.77Å; Y479-R483 HydrophobicContact CD1-CG 4.15Å; Y479-R483 HydrophobicContact CE1-CG 3.78Å; Y479-R483 HydrophobicContact CE2-CG 4.39Å; Y479-R483 WeakPolarHBondContact O-CG 3.2Å; Y479-R483 PolarHBondContact O-N 3.04Å; Y479-R483 VanDerWaalsContact O-N 3.1Å; Y479-R483 PolarHBondContact OH-NE 3.46Å; Y479-Q572 PolarHBondContact OH-OE1 3.42Å; Y479-F576 AromaticContact CD1-CD2 3.34Å; Y479-F576 HydrophobicContact CD1-CD2 3.34Å; Y479-F576 AromaticContact CD1-CE2 3.58Å; Y479-F576 HydrophobicContact CD1-CE2 3.58Å; Y479-F576 HydrophobicContact CD1-CG 4.29Å; Y479-F576 AromaticContact CE1-CD2 3.71Å; Y479-F576 HydrophobicContact CE1-CD2 3.71Å; Y479-F576 HydrophobicContact CE1-CE2 4.21Å; Y479-F576 HydrophobicContact CE1-CG 4.22Å; Y479-F576 AromaticContact CG-CD2 3.98Å; Y479-F576 HydrophobicContact CG-CD2 3.98Å; Y479-F576 HydrophobicContact CG-CE2 4.34Å; Y479-M638 HydrophobicContact CD1-CE 4.19Å; Y479-M638 HydrophobicContact CE1-CE 4.02Å
480I91.2Very high87.7Confident3 Ų334 Ų342%0.01518%0.178CC..Hα-helixtrans-60.7-51.2178.2-65.2166.1000110.5I476 N477 T482 R483 L484 F576 I591 L594 M638I476-I480 HydrophobicContact CG2-CD1 3.82Å; I476-I480 VanDerWaalsContact O-CG1 3.32Å; I476-I480 WeakPolarHBondContact O-CG1 3.46Å; I476-I480 PolarHBondContact O-N 2.83Å; N477-I480 PolarHBondContact O-N 3.25Å; I480-T482 VanDerWaalsContact C-N 3.34Å; I480-T482 PolarHBondContact O-N 3.35Å; I480-R483 PolarHBondContact O-N 2.93Å; I480-L484 HydrophobicContact CG2-CD1 3.77Å; I480-L484 HydrophobicContact CG2-CG 4.47Å; I480-L484 VanDerWaalsContact O-CG 3.31Å; I480-L484 WeakPolarHBondContact O-CG 3.23Å; I480-L484 PolarHBondContact O-N 3.27Å; I480-L484 VanDerWaalsContact O-N 3.07Å; I480-F576 HydrophobicContact CD1-CE2 4.45Å; I480-F576 HydrophobicContact CD1-CZ 4.25Å; I480-F576 HydrophobicContact CG1-CE2 3.98Å; I480-F576 HydrophobicContact CG1-CZ 4.04Å; I480-I591 HydrophobicContact CD1-CD1 4.28Å; I480-I591 HydrophobicContact CD1-CG1 3.91Å; I480-L594 HydrophobicContact CG2-CD1 3.66Å; I480-M638 HydrophobicContact CG1-CE 4.46Å; I480-M638 HydrophobicContact CG1-SD 3.9Å
481E90.8Very high87.3Confident87 Ų8731.5 Ų31.541%0.40716%0.161SC..Hα-helixtrans-57.4-46.1-179.5-177.6-176.2-179.400111.4K432 N477 L484 N485K432-E481 VanDerWaalsContact CE-OE2 3.29Å; K432-E481 WeakPolarHBondContact CE-OE2 3.37Å; K432-E481 IonicContact NZ-OE1 3.83Å; K432-E481 IonicContact NZ-OE2 2.63Å; K432-E481 PolarHBondContact NZ-OE2 2.9Å; N477-E481 VanDerWaalsContact O-CB 3.27Å; N477-E481 WeakPolarHBondContact O-CB 3.5Å; N477-E481 PolarHBondContact O-N 3.45Å; E481-L484 PolarHBondContact O-N 3.02Å; E481-N485 WeakPolarHBondContact CG-ND2 3.42Å; E481-N485 WeakPolarHBondContact O-CB 3.42Å; E481-N485 PolarHBondContact O-N 3.05Å; E481-N485 PolarHBondContact O-ND2 3.1Å
482T87.9Confident86.7Confident15 Ų1535.6 Ų35.69%0.09218%0.182CC..Hα-helixtrans-69-41.2-17654.50000112.6L431 K432 A478 Y479 I480 N485 S486L431-T482 HydrophobicContact CB-CG2 4.25Å; L431-T482 WeakPolarHBondContact O-CB 3.24Å; L431-T482 WeakPolarHBondContact O-CG2 3.33Å; K432-T482 HydrophobicContact CB-CG2 4.23Å; K432-T482 HydrophobicContact CG-CG2 3.61Å; A478-T482 VanDerWaalsContact O-CB 3.32Å; A478-T482 WeakPolarHBondContact O-CB 3.39Å; A478-T482 WeakPolarHBondContact O-CG2 3.42Å; A478-T482 PolarHBondContact O-N 3.33Å; A478-T482 PolarHBondContact O-OG1 2.73Å; Y479-T482 PolarHBondContact O-N 3.49Å; Y479-T482 PolarHBondContact O-OG1 2.77Å; I480-T482 VanDerWaalsContact C-N 3.34Å; I480-T482 PolarHBondContact O-N 3.35Å; T482-N485 PolarHBondContact O-N 2.98Å; T482-S486 WeakPolarHBondContact O-CB 3.48Å; T482-S486 PolarHBondContact O-N 3.1Å
483R88.5Confident85.6Confident15 Ų1538.9 Ų38.96%0.05720%0.198CC..Hα-helixtrans-65.7-44.1176.4-65.6-61.1178.8-100.48.6111.5Y479 I480 S486 W634 M638Y479-R483 HydrophobicContact CD1-CG 4.15Å; Y479-R483 HydrophobicContact CE1-CG 3.78Å; Y479-R483 HydrophobicContact CE2-CG 4.39Å; Y479-R483 WeakPolarHBondContact O-CG 3.2Å; Y479-R483 PolarHBondContact O-N 3.04Å; Y479-R483 VanDerWaalsContact O-N 3.1Å; Y479-R483 PolarHBondContact OH-NE 3.46Å; I480-R483 PolarHBondContact O-N 2.93Å; R483-S486 PolarHBondContact O-N 2.96Å; R483-S486 PolarHBondContact O-OG 2.95Å; R483-W634 HydrophobicContact CB-CD2 4.08Å; R483-W634 HydrophobicContact CB-CE3 4.15Å; R483-W634 HydrophobicContact CB-CZ2 4.45Å; R483-W634 HydrophobicContact CB-CZ3 4.37Å; R483-W634 HydrophobicContact CG-CE3 4.32Å; R483-W634 HydrophobicContact CG-CH2 4.17Å; R483-W634 HydrophobicContact CG-CZ2 4.49Å; R483-W634 HydrophobicContact CG-CZ3 4.07Å; R483-M638 HydrophobicContact CB-CE 3.93Å; R483-M638 HydrophobicContact CG-CE 4.27Å
484L89.4Confident84.3Confident7 Ų743.1 Ų43.14%0.03722%0.223CC..Hα-helixtrans-66.5-38.6177.1-65.5174.8000112.6I480 E481 S486 I487 L594 Y598 R631 W634 L635I480-L484 HydrophobicContact CG2-CD1 3.77Å; I480-L484 HydrophobicContact CG2-CG 4.47Å; I480-L484 VanDerWaalsContact O-CG 3.31Å; I480-L484 WeakPolarHBondContact O-CG 3.23Å; I480-L484 PolarHBondContact O-N 3.27Å; I480-L484 VanDerWaalsContact O-N 3.07Å; E481-L484 PolarHBondContact O-N 3.02Å; L484-S486 VanDerWaalsContact C-N 3.27Å; L484-S486 PolarHBondContact O-N 3.33Å; L484-I487 HydrophobicContact CD2-CD1 4.1Å; L484-I487 WeakPolarHBondContact O-CD1 3.45Å; L484-I487 WeakPolarHBondContact O-CG1 3.46Å; L484-I487 PolarHBondContact O-N 3.26Å; L484-L594 HydrophobicContact CD1-CD1 3.96Å; L484-Y598 HydrophobicContact CD1-CE2 3.98Å; L484-Y598 HydrophobicContact CD2-CE2 4.33Å; L484-R631 HydrophobicContact CD2-CB 4.22Å; L484-R631 HydrophobicContact CD2-CG 4.23Å; L484-W634 HydrophobicContact CD2-CB 4.19Å; L484-L635 HydrophobicContact CD1-CD2 4.42Å; L484-L635 HydrophobicContact CD2-CG 4.47Å
485N86.8Confident82.8Confident106 Ų10641.4 Ų41.457%0.56722%0.22SC*.Hα-helixtrans-72.4-18.4177.6-71.1-16.5000113.5E481 T482 P488E481-N485 WeakPolarHBondContact CG-ND2 3.42Å; E481-N485 WeakPolarHBondContact O-CB 3.42Å; E481-N485 PolarHBondContact O-N 3.05Å; E481-N485 PolarHBondContact O-ND2 3.1Å; T482-N485 PolarHBondContact O-N 2.98Å; N485-P488 WeakPolarHBondContact O-CD 3.45Å
486S84Confident81.4Confident11 Ų1144.1 Ų44.18%0.07723%0.234CC..Hα-helixtrans-76.3-21.6177.475.50000113.9T482 R483 L484 P488 K489 Y490T482-S486 WeakPolarHBondContact O-CB 3.48Å; T482-S486 PolarHBondContact O-N 3.1Å; R483-S486 PolarHBondContact O-N 2.96Å; R483-S486 PolarHBondContact O-OG 2.95Å; L484-S486 VanDerWaalsContact C-N 3.27Å; L484-S486 PolarHBondContact O-N 3.33Å; S486-P488 VanDerWaalsContact C-CD 3.46Å; S486-K489 VanDerWaalsContact O-CB 3.32Å; S486-K489 WeakPolarHBondContact O-CB 3.49Å; S486-K489 WeakPolarHBondContact O-CG 3.42Å; S486-K489 PolarHBondContact O-N 2.72Å; S486-Y490 WeakPolarHBondContact O-CE1 3.33Å
487I85.7Confident79.8Confident0 Ų047.2 Ų47.20%025%0.251CS..G310 helixtrans-53.6-42.9-172.5-64.7167.4000113.6L484 K489 Y490 M491 L627 H630 R631L484-I487 HydrophobicContact CD2-CD1 4.1Å; L484-I487 WeakPolarHBondContact O-CD1 3.45Å; L484-I487 WeakPolarHBondContact O-CG1 3.46Å; L484-I487 PolarHBondContact O-N 3.26Å; I487-K489 PolarHBondContact O-N 3.33Å; I487-Y490 WeakPolarHBondContact CG1-OH 3.48Å; I487-Y490 PolarHBondContact O-N 2.76Å; I487-M491 HydrophobicContact CG2-CB 4.31Å; I487-M491 PolarHBondContact O-N 2.71Å; I487-L627 HydrophobicContact CB-CD1 4.44Å; I487-L627 HydrophobicContact CG2-CD1 3.8Å; I487-H630 HydrophobicContact CD1-CB 4.22Å; I487-H630 HydrophobicContact CG1-CB 4.33Å; I487-H630 HydrophobicContact CG2-CB 3.53Å; I487-R631 HydrophobicContact CD1-CB 4.12Å; I487-R631 HydrophobicContact CD1-CG 3.46Å; I487-R631 VanDerWaalsContact CD1-CG 3.46Å
488P83.7Confident78Confident69 Ų6945.8 Ų45.845%0.44824%0.243SC..G310 helixtrans-59.3-19.2-180-25.536.4000115.6N485 S486 M491N485-P488 WeakPolarHBondContact O-CD 3.45Å; S486-P488 VanDerWaalsContact C-CD 3.46Å; P488-M491 VanDerWaalsContact CA-CE 3.4Å; P488-M491 HydrophobicContact CB-CE 3.58Å; P488-M491 HydrophobicContact CG-CE 3.99Å
489K79.9Confident75.8Confident110 Ų11049.5 Ų49.548%0.47827%0.265SS..G310 helixtrans-72.3-29.6-179.4-60-178.3178.8-175.10113.4T435 S486 I487T435-K489 PolarHBondContact OG1-NZ 3.34Å; S486-K489 VanDerWaalsContact O-CB 3.32Å; S486-K489 WeakPolarHBondContact O-CB 3.49Å; S486-K489 WeakPolarHBondContact O-CG 3.42Å; S486-K489 PolarHBondContact O-N 2.72Å; I487-K489 PolarHBondContact O-N 3.33Å
490Y81Confident73.4Confident11 Ų1154.7 Ų54.74%0.04329%0.285CS..THydrogen-bonded Turntrans-126-2.4-174.857.8-101.1000114.2S486 I487 N492 H493 C561 H630 W634S486-Y490 WeakPolarHBondContact O-CE1 3.33Å; I487-Y490 WeakPolarHBondContact CG1-OH 3.48Å; I487-Y490 PolarHBondContact O-N 2.76Å; Y490-N492 PolarHBondContact O-N 2.9Å; Y490-H493 VanDerWaalsContact O-CB 3.32Å; Y490-H493 WeakPolarHBondContact O-CB 3.39Å; Y490-H493 PolarHBondContact O-N 3.48Å; Y490-C561 HydrophobicContact CD2-CB 3.92Å; Y490-C561 WeakPolarHBondContact CD2-SG 3.06Å; Y490-C561 HydrophobicContact CE2-CB 4.5Å; Y490-C561 WeakPolarHBondContact CE2-SG 3.41Å; Y490-C561 HydrophobicContact CG-CB 4.19Å; Y490-H630 AromaticContact CE2-CD2 3.86Å; Y490-W634 PolarHBondContact OH-NE1 3.32Å
491M77.9Confident70.8Confident29 Ų2960.3 Ų60.314%0.14331%0.311CS..THydrogen-bonded Turntrans-58.2-24.6-175.569159.8109.900114.7I487 P488 L627I487-M491 HydrophobicContact CG2-CB 4.31Å; I487-M491 PolarHBondContact O-N 2.71Å; P488-M491 VanDerWaalsContact CA-CE 3.4Å; P488-M491 HydrophobicContact CB-CE 3.58Å; P488-M491 HydrophobicContact CG-CE 3.99Å; M491-L627 HydrophobicContact CE-CD1 4.04Å; M491-L627 HydrophobicContact SD-CB 4.48Å
492N72Confident68.3Low92 Ų9256.2 Ų56.249%0.49229%0.292SS..THydrogen-bonded Turntrans-89.3-2.9-179-70.1-29.8000113.6Y490 T494Y490-N492 PolarHBondContact O-N 2.9Å; N492-T494 PolarHBondContact O-N 3.39Å
493H65.4Low65.9Low70 Ų7057.3 Ų57.332%0.32430%0.297SS..  trans-71.7117.1-179.3-160.5-101.3000110.6Y490 T495Y490-H493 VanDerWaalsContact O-CB 3.32Å; Y490-H493 WeakPolarHBondContact O-CB 3.39Å; Y490-H493 PolarHBondContact O-N 3.48Å; H493-T495 VanDerWaalsContact CE1-CB 3.49Å; H493-T495 WeakPolarHBondContact CE1-CB 3.25Å; H493-T495 PolarHBondContact CE1-O 3.49Å; H493-T495 PolarHBondContact ND1-O 2.86Å
494T61.1Low63.4Low101 Ų10162.3 Ų62.362%0.6232%0.316SS*.  trans-83.9-18.8-177.149.20000113.2N492 P695N492-T494 PolarHBondContact O-N 3.39Å; T494-P695 WeakPolarHBondContact O-CG 3.36Å
495T58.9Low61Low71 Ų7163.8 Ų63.844%0.43633%0.327SS..  trans-88.2135.6-178.4-32.80000110.4H493 R699H493-T495 VanDerWaalsContact CE1-CB 3.49Å; H493-T495 WeakPolarHBondContact CE1-CB 3.25Å; H493-T495 PolarHBondContact CE1-O 3.49Å; H493-T495 PolarHBondContact ND1-O 2.86Å; T495-R699 PolarHBondContact O-NH2 3.46Å
496I61.9Low58.5Low58 Ų5860 Ų6030%0.29731%0.306SS..  trans-101.3106.1175.1-60.9172.4000107.4I498 P695 I698I496-I498 VanDerWaalsContact C-N 3.27Å; I496-I498 HydrophobicContact CG2-CB 4.06Å; I496-I498 HydrophobicContact CG2-CD1 3.44Å; I496-I498 VanDerWaalsContact CG2-CD1 3.44Å; I496-I498 HydrophobicContact CG2-CG1 3.5Å; I496-I498 VanDerWaalsContact CG2-CG1 3.5Å; I496-I498 PolarHBondContact O-N 3.24Å; I496-P695 HydrophobicContact CD1-CB 4.02Å; I496-P695 HydrophobicContact CD1-CG 4.29Å; I496-P695 HydrophobicContact CG1-CB 3.71Å; I496-P695 HydrophobicContact CG1-CG 4.07Å; I496-I698 HydrophobicContact CD1-CB 4.13Å; I496-I698 HydrophobicContact CD1-CD1 3.36Å; I496-I698 HydrophobicContact CD1-CG1 4.31Å; I496-I698 HydrophobicContact CD1-CG2 4.06Å
497N56.3Low56.1Low66 Ų6665.4 Ų65.435%0.35333%0.328SS..  trans-9441.8178.3-74.7-0.3000111.3T499 E560 D564N497-T499 PolarHBondContact O-N 3.46Å; N497-E560 PolarHBondContact ND2-OE1 2.98Å; N497-D564 PolarHBondContact N-OD2 2.94Å
498I55.2Low53.3Low36 Ų3671.1 Ų71.119%0.18535%0.353CS..  trans-75.186.2172.6-58.7168.2000107.3I496 I503 D564 L702I496-I498 VanDerWaalsContact C-N 3.27Å; I496-I498 HydrophobicContact CG2-CB 4.06Å; I496-I498 HydrophobicContact CG2-CD1 3.44Å; I496-I498 VanDerWaalsContact CG2-CD1 3.44Å; I496-I498 HydrophobicContact CG2-CG1 3.5Å; I496-I498 VanDerWaalsContact CG2-CG1 3.5Å; I496-I498 PolarHBondContact O-N 3.24Å; I498-I503 HydrophobicContact CG2-CD1 3.87Å; I498-I503 HydrophobicContact CG2-CG1 4.24Å; I498-D564 HydrophobicContact CG1-CB 4.22Å; I498-L702 HydrophobicContact CD1-CD1 3.33Å
499T44.1Very low50.6Low81 Ų8169.3 Ų69.350%0.49734%0.342SS..  trans-62.6140.117656.70000109.6N497 E501 S502N497-T499 PolarHBondContact O-N 3.46Å; T499-E501 PolarHBondContact O-N 3.27Å; T499-S502 PolarHBondContact O-N 3.37Å; T499-S502 VanDerWaalsContact O-N 3.1Å; T499-S502 PolarHBondContact O-OG 3.44Å
500R40.7Very low48.3Very low110 Ų11067 Ų6742%0.41533%0.331SS..Hα-helixtrans-56.1-23.5178.7-82.4-175178.3138.412.8114S502 E761 T818R500-S502 VanDerWaalsContact C-N 3.34Å; R500-E761 IonicContact CZ-OE1 3.41Å; R500-E761 IonicContact CZ-OE2 2.81Å; R500-E761 IonicContact NE-OE1 3.72Å; R500-E761 PolarHBondContact NE-OE1 3.34Å; R500-E761 IonicContact NH2-OE1 3.63Å; R500-E761 PolarHBondContact NH2-OE1 3.29Å; R500-E761 VanDerWaalsContact NH2-OE1 3.1Å; R500-E761 IonicContact NH2-OE2 2.83Å; R500-E761 PolarHBondContact NH2-OE2 2.84Å; R500-T818 VanDerWaalsContact CZ-CG2 3.41Å; R500-T818 PolarHBondContact NH2-OG1 3.43Å
501E36.1Very low45.9Very low121 Ų12169.1 Ų69.157%0.56534%0.342SS*.Hα-helixtrans-68.6-36.2-179.6-76.2174.9170.200111.6T499 I503 R504T499-E501 PolarHBondContact O-N 3.27Å; E501-I503 VanDerWaalsContact C-N 3.34Å; E501-I503 PolarHBondContact O-N 2.85Å; E501-R504 PolarHBondContact O-N 2.72Å; E501-R504 VanDerWaalsContact O-N 3.13Å
502S37.5Very low43.3Very low1 Ų173.9 Ų73.91%0.00737%0.367CS..Hα-helixtrans-60.8-44-178.886.40000111.1T499 R500 R504 S505 W566T499-S502 PolarHBondContact O-N 3.37Å; T499-S502 VanDerWaalsContact O-N 3.1Å; T499-S502 PolarHBondContact O-OG 3.44Å; R500-S502 VanDerWaalsContact C-N 3.34Å; S502-R504 PolarHBondContact O-N 3.41Å; S502-S505 PolarHBondContact O-OG 3.48Å; S502-S505 VanDerWaalsContact O-OG 3.1Å; S502-W566 WeakPolarHBondContact OG-CB 3.48Å
503I38.5Very low41.2Very low39 Ų3974.3 Ų74.320%0.237%0.368CS..Hα-helixtrans-72.8-22.5179.4-57.9171.5000113.2I498 E501I498-I503 HydrophobicContact CG2-CD1 3.87Å; I498-I503 HydrophobicContact CG2-CG1 4.24Å; E501-I503 VanDerWaalsContact C-N 3.34Å; E501-I503 PolarHBondContact O-N 2.85Å
504R35.9Very low39.3Very low120 Ų12074 Ų7445%0.45338%0.378SS..Hα-helixtrans-83.2-30-171-114.1-178.2-175.1172.33.9114.8E501 S502 E506 K507 N534 N535E501-R504 PolarHBondContact O-N 2.72Å; E501-R504 VanDerWaalsContact O-N 3.13Å; S502-R504 PolarHBondContact O-N 3.41Å; R504-E506 PolarHBondContact O-N 2.59Å; R504-K507 PolarHBondContact O-N 3.17Å; R504-K507 VanDerWaalsContact O-N 3.14Å; R504-N534 PolarHBondContact NH2-O 3Å; R504-N535 PolarHBondContact NH1-O 3.36Å; R504-N535 PolarHBondContact NH2-O 3.29Å
505S37.5Very low37.5Very low38 Ų3873 Ų7327%0.26637%0.369SS..Hα-helixtrans-57.5-32.418058.20000111.9S502 K507 K508 S509S502-S505 PolarHBondContact O-OG 3.48Å; S502-S505 VanDerWaalsContact O-OG 3.1Å; S505-K507 VanDerWaalsContact C-N 3.3Å; S505-K507 PolarHBondContact O-N 3.05Å; S505-K508 PolarHBondContact O-N 2.85Å; S505-S509 PolarHBondContact O-N 3.36Å
506E34.2Very low35.9Very low26 Ų2673.1 Ų73.112%0.12137%0.372CS..Hα-helixtrans-66.7-25.5179.5-141.1-167.6165.200114.2R504 S509 K510 R713R504-E506 PolarHBondContact O-N 2.59Å; E506-S509 PolarHBondContact O-OG 3.05Å; E506-S509 VanDerWaalsContact O-OG 3.11Å; E506-K510 WeakPolarHBondContact O-CG 3.36Å; E506-K510 IonicContact OE1-NZ 3.79Å; E506-R713 IonicContact OE1-CZ 3.32Å; E506-R713 IonicContact OE1-NH1 2.84Å; E506-R713 IonicContact OE1-NH2 3.51Å; E506-R713 PolarHBondContact OE1-NH2 3.45Å
507K33.7Very low34.2Very low125 Ų12578.1 Ų78.154%0.54339%0.392SS..Hα-helixtrans-78.2-40.7179.2-153.9176.2-176.5177.90111.6R504 S505 S509 K510 E511R504-K507 PolarHBondContact O-N 3.17Å; R504-K507 VanDerWaalsContact O-N 3.14Å; S505-K507 VanDerWaalsContact C-N 3.3Å; S505-K507 PolarHBondContact O-N 3.05Å; K507-S509 PolarHBondContact O-N 3.44Å; K507-K510 PolarHBondContact O-N 2.84Å; K507-E511 PolarHBondContact O-N 3.41Å
508K28Very low32.7Very low120 Ų12078.2 Ų78.252%0.52240%0.398SS..Hα-helixtrans-62-41.7177-82.7-175174.8-178.20112.1V247 S505 L512V247-K508 HydrophobicContact CG1-CD 3.7Å; S505-K508 PolarHBondContact O-N 2.85Å; K508-L512 PolarHBondContact O-N 3.13Å
509S27.6Very low31.2Very low31 Ų3183.2 Ų83.222%0.21742%0.424CS..Hα-helixtrans-67.2-38.7-178.660.60000112.8S505 E506 K507 I513S505-S509 PolarHBondContact O-N 3.36Å; E506-S509 PolarHBondContact O-OG 3.05Å; E506-S509 VanDerWaalsContact O-OG 3.11Å; K507-S509 PolarHBondContact O-N 3.44Å; S509-I513 WeakPolarHBondContact O-CD1 3.47Å; S509-I513 WeakPolarHBondContact O-CG1 3.39Å; S509-I513 PolarHBondContact O-N 2.79Å
510K31.7Very low30.4Very low60 Ų6086 Ų8626%0.26144%0.436SS..Hα-helixtrans-68.5-38.4178.4-72.4175179.8172.40113.3E506 K507 A514 E773E506-K510 WeakPolarHBondContact O-CG 3.36Å; E506-K510 IonicContact OE1-NZ 3.79Å; K507-K510 PolarHBondContact O-N 2.84Å; K510-A514 PolarHBondContact O-N 3.39Å; K510-E773 IonicContact NZ-OE1 2.65Å; K510-E773 PolarHBondContact NZ-OE1 2.93Å; K510-E773 IonicContact NZ-OE2 3.68Å
511E29.3Very low29.6Very low56 Ų5687 Ų8726%0.26245%0.45SS..Hα-helixtrans-74.1-32.4-177.6-72.8163.4155.700111.9K507 A514 L515 Y533K507-E511 PolarHBondContact O-N 3.41Å; E511-A514 PolarHBondContact O-N 2.87Å; E511-L515 WeakPolarHBondContact O-CG 3.44Å; E511-L515 PolarHBondContact O-N 3.45Å; E511-Y533 PolarHBondContact OE1-OH 3.14Å; E511-Y533 WeakPolarHBondContact OE2-CE1 3.49Å; E511-Y533 PolarHBondContact OE2-OH 3.22Å
512L24.5Very low29Very low130 Ų13087.1 Ų87.168%0.68146%0.463SS*.Hα-helixtrans-67.2-36.8175.2-143.7103.1000112.6K508 L515 S516K508-L512 PolarHBondContact O-N 3.13Å; L512-L515 PolarHBondContact O-N 3.38Å; L512-S516 PolarHBondContact O-N 2.85Å
513I26.8Very low28.5Very low100 Ų10093.2 Ų93.251%0.51350%0.501SS..Hα-helixtrans-70.6-33.2176.7-62.9167.3000111.3S509 S516 K517S509-I513 WeakPolarHBondContact O-CD1 3.47Å; S509-I513 WeakPolarHBondContact O-CG1 3.39Å; S509-I513 PolarHBondContact O-N 2.79Å; I513-S516 PolarHBondContact O-OG 3.21Å; I513-S516 VanDerWaalsContact O-OG 3.1Å; I513-K517 PolarHBondContact O-N 3.37Å
514A25.8Very low27.8Very low64 Ų6498.3 Ų98.353%0.52953%0.529SS..Hα-helixtrans-69.4-39.217300000111.5K510 E511 K517 S518K510-A514 PolarHBondContact O-N 3.39Å; E511-A514 PolarHBondContact O-N 2.87Å; A514-K517 PolarHBondContact O-N 3.33Å; A514-S518 PolarHBondContact O-N 2.96Å
515L23.3Very low27.1Very low80 Ų8099.9 Ų99.942%0.41955%0.546SS..Hα-helixtrans-65.5-41.5176.8-76.4163000112.2E511 L512 K517 S518 L519E511-L515 WeakPolarHBondContact O-CG 3.44Å; E511-L515 PolarHBondContact O-N 3.45Å; L512-L515 PolarHBondContact O-N 3.38Å; L515-K517 VanDerWaalsContact C-N 3.27Å; L515-K517 PolarHBondContact O-N 2.94Å; L515-S518 PolarHBondContact O-N 3.42Å; L515-S518 VanDerWaalsContact O-N 3.1Å; L515-S518 PolarHBondContact O-OG 2.93Å; L515-L519 PolarHBondContact O-N 2.88Å
516S24.5Very low26.5Very low73 Ų73104.8 Ų104.851%0.5157%0.574SS.*Hα-helixtrans-65-29.1178.772.20000113.4L512 I513L512-S516 PolarHBondContact O-N 2.85Å; I513-S516 PolarHBondContact O-OG 3.21Å; I513-S516 VanDerWaalsContact O-OG 3.1Å
517K26.2Very low25.9Very low164 Ų164110.1 Ų110.171%0.71360%0.603SS**Hα-helixtrans-78.6-28.2173-72.8-176.6178.9179.70113.2I513 A514 L515I513-K517 PolarHBondContact O-N 3.37Å; A514-K517 PolarHBondContact O-N 3.33Å; L515-K517 VanDerWaalsContact C-N 3.27Å; L515-K517 PolarHBondContact O-N 2.94Å
518S25.6Very low25.4Very low68 Ų68111.8 Ų111.848%0.47661%0.613SS.*Hα-helixtrans-79.2-30.4177.879.10000113.3A514 L515 N520 N521A514-S518 PolarHBondContact O-N 2.96Å; L515-S518 PolarHBondContact O-N 3.42Å; L515-S518 VanDerWaalsContact O-N 3.1Å; L515-S518 PolarHBondContact O-OG 2.93Å; S518-N520 PolarHBondContact O-N 2.94Å; S518-N521 PolarHBondContact O-N 2.92Å
519L24.5Very low25.2Very low141 Ų141111.5 Ų111.574%0.73862%0.617SS**THydrogen-bonded Turntrans-68.8-16.4-177.2-113.893.4000114.7L515 N521L515-L519 PolarHBondContact O-N 2.88Å; L519-N521 VanDerWaalsContact C-N 3.32Å; L519-N521 PolarHBondContact O-N 3.44Å
520N26.2Very low25Very low140 Ų140114.9 Ų114.975%0.74963%0.632SS**THydrogen-bonded Turntrans-83.8-1.3-179.2-81.4-9.4000114.3S518S518-N520 PolarHBondContact O-N 2.94Å
521N24Very low24.6Very low131 Ų131116.6 Ų116.670%0.70165%0.648SS**SBendtrans-130.9126.7175.3-74.3-29.4000111.1S518 L519S518-N521 PolarHBondContact O-N 2.92Å; L519-N521 VanDerWaalsContact C-N 3.32Å; L519-N521 PolarHBondContact O-N 3.44Å
522S23.6Very low24.4Very low122 Ų122118.2 Ų118.285%0.85366%0.662SS**  trans87.299.2173.171.10000118.2
523T26.4Very low24.4Very low130 Ų130117.2 Ų117.280%0.79865%0.65SS**  trans-66.9141.8152.839.60000109.9
524N24.8Very low24.2Very low146 Ų146116 Ų11678%0.78164%0.644SS**  trans73.584175.3-53.3-16.5000115.6
525D21.2Very low24.2Very low153 Ų153114.4 Ų114.482%0.81863%0.627SS**  -174.8124126.8-90.2-23.3000108.4L527D525-L527 PolarHBondContact O-N 3.31Å
526T23.7Very low24.3Very low140 Ų140118.4 Ų118.486%0.85964%0.637SS**  trans-6976.5178.6390000110.3H528T526-H528 PolarHBondContact O-N 3.45Å
527L21.9Very low24.3Very low139 Ų139118.5 Ų118.573%0.72863%0.631SS**  trans-84.197.2171.9-144.383.5000108.9D525 N529D525-L527 PolarHBondContact O-N 3.31Å; L527-N529 VanDerWaalsContact C-N 3.32Å; L527-N529 PolarHBondContact O-N 3.47Å
528H24.5Very low24.1Very low160 Ų160116.4 Ų116.474%0.74163%0.628SS**  trans-59.392.6166.1-81.6-75.7000109.5T526 D530T526-H528 PolarHBondContact O-N 3.45Å; H528-D530 PolarHBondContact O-N 2.9Å
529N22.6Very low23.9Very low114 Ų114117.2 Ų117.261%0.6163%0.633SS**  trans-73.987.8172.3-87.2-23.7000109.9L527 T531L527-N529 VanDerWaalsContact C-N 3.32Å; L527-N529 PolarHBondContact O-N 3.47Å; N529-T531 VanDerWaalsContact C-N 3.25Å; N529-T531 PolarHBondContact O-N 3.26Å
530D24.4Very low23.8Very low101 Ų101117.8 Ų117.854%0.5464%0.637SS.*  trans-74.271170.1-87.4-16.8000110.7H528 T532 K1002H528-D530 PolarHBondContact O-N 2.9Å; D530-T532 VanDerWaalsContact C-N 3.35Å; D530-T532 PolarHBondContact O-N 3.45Å; D530-K1002 IonicContact OD2-NZ 3.72Å; D530-K1002 PolarHBondContact OD2-NZ 2.97Å
531T22.9Very low23.5Very low96 Ų96116 Ų11659%0.58964%0.635SS**  trans-74.489.4162.1260000109.5N529 Y533N529-T531 VanDerWaalsContact C-N 3.25Å; N529-T531 PolarHBondContact O-N 3.26Å; T531-Y533 VanDerWaalsContact C-N 3.34Å; T531-Y533 HydrophobicContact CG2-CE2 4.37Å; T531-Y533 WeakPolarHBondContact O-CD2 3.32Å; T531-Y533 PolarHBondContact O-N 3.2Å
532T24.3Very low23.4Very low90 Ų90117.6 Ų117.655%0.55264%0.642SS**  trans-6884.2173.9330000111.6D530 N534D530-T532 VanDerWaalsContact C-N 3.35Å; D530-T532 PolarHBondContact O-N 3.45Å; T532-N534 PolarHBondContact O-N 3.47Å
533Y24.7Very low23.3Very low109 Ų109116 Ų11643%0.42763%0.631SS.*  trans-67.4118.6175.4-78.8-82.2000113.1E511 T531 N535E511-Y533 PolarHBondContact OE1-OH 3.14Å; E511-Y533 WeakPolarHBondContact OE2-CE1 3.49Å; E511-Y533 PolarHBondContact OE2-OH 3.22Å; T531-Y533 VanDerWaalsContact C-N 3.34Å; T531-Y533 HydrophobicContact CG2-CE2 4.37Å; T531-Y533 WeakPolarHBondContact O-CD2 3.32Å; T531-Y533 PolarHBondContact O-N 3.2Å; Y533-N535 PolarHBondContact O-N 3.2Å
534N22.6Very low23Very low75 Ų75115.6 Ų115.640%0.40163%0.634SS.*  trans-72.4116.8-178.1-73.1-67.4000113.7R504 T532 K934R504-N534 PolarHBondContact NH2-O 3Å; T532-N534 PolarHBondContact O-N 3.47Å; N534-K934 PolarHBondContact OD1-NZ 3.37Å
535N26.9Very low22.9Very low30 Ų30114 Ų11416%0.1663%0.629CS.*  trans42.7118.9144-69.85.1000123.7R504 Y533R504-N535 PolarHBondContact NH1-O 3.36Å; R504-N535 PolarHBondContact NH2-O 3.29Å; Y533-N535 PolarHBondContact O-N 3.2Å
536Y24.9Very low22.9Very low164 Ų164113.9 Ų113.964%0.64363%0.628SS**  trans-42.2154.8142.8-69.8-99.2000116
537I25.4Very low22.9Very low75 Ų75115.5 Ų115.539%0.38563%0.632SS.*  -178.5122.4111.9-78.5158.2000107C539 Y987 K992I537-C539 WeakPolarHBondContact CG2-SG 3.5Å; I537-C539 PolarHBondContact O-SG 3.06Å; I537-Y987 HydrophobicContact CD1-CE1 4.4Å; I537-K992 VanDerWaalsContact CD1-NZ 3.34Å
538N21.6Very low22.9Very low121 Ų121113.8 Ų113.865%0.64763%0.632SS**  trans-72.7113.3166.8-167.3-5.9000107.7
539C20.4Very low22.9Very low84 Ų84115.9 Ų115.957%0.56864%0.638SS**  trans-111.657.9-173.4-51.40000111I537 S541I537-C539 WeakPolarHBondContact CG2-SG 3.5Å; I537-C539 PolarHBondContact O-SG 3.06Å; C539-S541 PolarHBondContact O-N 3.34Å
540N21.8Very low22.9Very low153 Ų153118.6 Ų118.682%0.81865%0.652SS**  trans-8864.1162.1-76.6-4.8000109.3
541S20.9Very low22.9Very low104 Ų104119.7 Ų119.773%0.72766%0.662SS**  trans-103.886.4163.263.80000107.6C539 S543C539-S541 PolarHBondContact O-N 3.34Å; S541-S543 PolarHBondContact O-N 2.92Å; S541-S543 VanDerWaalsContact O-N 3.1Å
542I21.7Very low22.9Very low163 Ų163121.2 Ų121.284%0.83667%0.667SS**  trans-55.3116166-66.5170000106.4S544I542-S544 PolarHBondContact O-N 3.47Å; I542-S544 VanDerWaalsContact O-N 3.08Å
543S21.7Very low22.9Very low90 Ų90124.4 Ų124.463%0.62968%0.68SS**  trans-52.9112172.944.50000109.4S541 T545S541-S543 PolarHBondContact O-N 2.92Å; S541-S543 VanDerWaalsContact O-N 3.1Å; S543-T545 PolarHBondContact O-N 3.49Å; S543-T545 PolarHBondContact O-OG1 3.32Å
544S20.5Very low22.9Very low121 Ų121124.4 Ų124.485%0.84670%0.696SS**  trans-68.677.4171.358.80000109.7I542I542-S544 PolarHBondContact O-N 3.47Å; I542-S544 VanDerWaalsContact O-N 3.08Å
545T21.7Very low23.1Very low112 Ų112128.9 Ų128.969%0.68772%0.719SS**  trans-102.8101.3169.924.90000109.7S543S543-T545 PolarHBondContact O-N 3.49Å; S543-T545 PolarHBondContact O-OG1 3.32Å
546N22.5Very low23.1Very low150 Ų150132.1 Ų132.180%0.80274%0.744SS**  trans54.6104.5152.8-63.4-18.1000118.9S548N546-S548 PolarHBondContact O-N 2.95Å; N546-S548 VanDerWaalsContact O-N 3.08Å
547N22.8Very low23.4Very low175 Ų175129.5 Ų129.594%0.93675%0.746SS**  trans-48103.5159.6-69.1-29.3000112.5
548S23.1Very low24.2Very low103 Ų103131.6 Ų131.672%0.7276%0.758SS**  trans-161.3108.914860.70000112.3N546N546-S548 PolarHBondContact O-N 2.95Å; N546-S548 VanDerWaalsContact O-N 3.08Å
549K23.3Very low25.6Very low203 Ų203130 Ų13088%0.88375%0.749SS**  trans50.893.1152.8-69.1178.7175.6177.10117.9
550L23.2Very low27.7Very low171 Ų171130.9 Ų130.990%0.89575%0.745SS**  trans-150.385.3141-102.6150000107.5
551V24Very low30.1Very low125 Ų125123.9 Ų123.976%0.75871%0.708SS**  trans-84.4129.7164.1167.40000105.7
552N23.9Very low32.7Very low128 Ų128120.6 Ų120.668%0.68468%0.682SS**  trans94.182.6177.5-53.4-19.8000115.9
553D23.8Very low35.5Very low156 Ų156113.1 Ų113.183%0.83464%0.644SS**  trans-160.634.3139.8-95.8-15.5000111.5L555D553-L555 PolarHBondContact O-N 3.45Å; D553-L555 VanDerWaalsContact O-N 3.09Å
554S25.2Very low38.2Very low109 Ų109109.2 Ų109.276%0.76262%0.616SS**THydrogen-bonded Turntrans-77.391.7170.156.40000109.3
555L26.1Very low40.9Very low169 Ų169106.6 Ų106.689%0.88559%0.592SS**THydrogen-bonded Turntrans176.621.8152-94.5159.7000113.4D553 T557D553-L555 PolarHBondContact O-N 3.45Å; D553-L555 VanDerWaalsContact O-N 3.09Å; L555-T557 PolarHBondContact O-N 2.95Å
556S27.9Very low43.6Very low98 Ų98102.2 Ų102.269%0.68556%0.563SS**  trans-71.8101.3167.661.70000109N558S556-N558 PolarHBondContact O-N 3.27Å; S556-N558 VanDerWaalsContact O-N 3.16Å
557T31.1Very low46.1Very low109 Ų10998 Ų9867%0.66954%0.54SS*.  trans-41.4118.4164.549.90000109.5L555 N559L555-T557 PolarHBondContact O-N 2.95Å; T557-N559 VanDerWaalsContact C-N 3.28Å; T557-N559 PolarHBondContact O-N 2.71Å
558N41.7Very low48.6Very low119 Ų11990.8 Ų90.864%0.63650%0.502SS*.  trans-61.588.4176.5-73.4-16000108.8E437 S556 E560E437-N558 VanDerWaalsContact OE1-O 3.06Å; S556-N558 PolarHBondContact O-N 3.27Å; S556-N558 VanDerWaalsContact O-N 3.16Å; N558-E560 PolarHBondContact O-N 3.33Å; N558-E560 VanDerWaalsContact O-N 3.1Å
559N50.2Low51.5Low89 Ų8986 Ų8648%0.47647%0.468SS..  trans-84.474.6172.5-75-12.4000108T557T557-N559 VanDerWaalsContact C-N 3.28Å; T557-N559 PolarHBondContact O-N 2.71Å
560E65.1Low54.4Low102 Ų10278.3 Ų78.348%0.47744%0.44SS..  trans-64.6144.5176.6-65.9-158.8144.700111.2N497 N558 L562N497-E560 PolarHBondContact ND2-OE1 2.98Å; N558-E560 PolarHBondContact O-N 3.33Å; N558-E560 VanDerWaalsContact O-N 3.1Å; E560-L562 PolarHBondContact O-N 3.47Å
561C71.6Confident57.3Low5 Ų572.1 Ų72.13%0.03441%0.407CS..  trans-74.1120.3178.5-178.30000109.8Y490 L563 D564 R699Y490-C561 HydrophobicContact CD2-CB 3.92Å; Y490-C561 WeakPolarHBondContact CD2-SG 3.06Å; Y490-C561 HydrophobicContact CE2-CB 4.5Å; Y490-C561 WeakPolarHBondContact CE2-SG 3.41Å; Y490-C561 HydrophobicContact CG-CB 4.19Å; C561-L563 PolarHBondContact O-N 3.4Å; C561-D564 WeakPolarHBondContact O-CB 3.5Å; C561-D564 PolarHBondContact O-N 2.99Å; C561-R699 PolarHBondContact SG-NE 3.2Å
562L75.3Confident60.3Low35 Ų3566.6 Ų66.618%0.18337%0.373CS..THydrogen-bonded Turntrans-61.5-16.2-178.9-54.6-171.2000114.8E560 D564 W634E560-L562 PolarHBondContact O-N 3.47Å; L562-D564 VanDerWaalsContact C-N 3.34Å; L562-W634 HydrophobicContact CB-CZ2 3.99Å
563L80.4Confident63.4Low7 Ų761 Ų614%0.03734%0.343CS..THydrogen-bonded Turntrans-80.7-15.8175.5-66.1177000112.9C561 L569 A633 W634 Y637 R699C561-L563 PolarHBondContact O-N 3.4Å; L563-L569 HydrophobicContact CD2-CD1 4.22Å; L563-L569 HydrophobicContact CD2-CD2 4.15Å; L563-A633 HydrophobicContact CD1-CB 4.04Å; L563-W634 HydrophobicContact CD2-CD2 3.8Å; L563-W634 VanDerWaalsContact CD2-CE2 3.5Å; L563-W634 HydrophobicContact CD2-CE3 4.26Å; L563-W634 HydrophobicContact CD2-CG 4.23Å; L563-W634 HydrophobicContact CD2-CH2 4.2Å; L563-W634 HydrophobicContact CD2-CZ2 3.73Å; L563-W634 HydrophobicContact CD2-CZ3 4.45Å; L563-W634 HydrophobicContact CG-CZ2 4.23Å; L563-Y637 HydrophobicContact CD2-CD2 3.78Å; L563-Y637 HydrophobicContact CD2-CE2 3.8Å; L563-R699 HydrophobicContact CB-CG 4.5Å; L563-R699 HydrophobicContact CD1-CB 4.32Å
564D78.5Confident66.4Low8 Ų857 Ų574%0.04332%0.321CS..THydrogen-bonded Turntrans-84.9-28.2-176.7-65.7-9.9000111.6N497 I498 C561 L562 W566 R699N497-D564 PolarHBondContact N-OD2 2.94Å; I498-D564 HydrophobicContact CG1-CB 4.22Å; C561-D564 WeakPolarHBondContact O-CB 3.5Å; C561-D564 PolarHBondContact O-N 2.99Å; L562-D564 VanDerWaalsContact C-N 3.34Å; D564-W566 PolarHBondContact O-N 3.32Å; D564-W566 VanDerWaalsContact O-N 3.13Å; D564-R699 IonicContact OD1-CZ 3.67Å; D564-R699 IonicContact OD1-NE 3.31Å; D564-R699 PolarHBondContact OD1-NE 2.82Å; D564-R699 IonicContact OD1-NH2 3.61Å; D564-R699 PolarHBondContact OD1-NH2 2.83Å; D564-R699 IonicContact OD2-CZ 2.64Å; D564-R699 IonicContact OD2-NE 3.4Å; D564-R699 IonicContact OD2-NH2 2.73Å; D564-R699 PolarHBondContact OD2-NH2 2.98Å
565D78.1Confident69.4Low65 Ų6551.9 Ų51.935%0.34829%0.286SS..  trans-82.484.3170.5-176.56000111.5I567 T568 L569D565-I567 PolarHBondContact O-N 2.92Å; D565-I567 PolarHBondContact OD1-N 3.08Å; D565-I567 VanDerWaalsContact OD1-N 3.12Å; D565-T568 PolarHBondContact O-OG1 3.32Å; D565-T568 PolarHBondContact OD1-N 2.99Å; D565-T568 WeakPolarHBondContact OD2-CB 3.41Å; D565-T568 WeakPolarHBondContact OD2-CG2 3.47Å; D565-T568 PolarHBondContact OD2-OG1 3.49Å; D565-L569 WeakPolarHBondContact O-CB 3.36Å; D565-L569 PolarHBondContact O-N 3.12Å
566W78.2Confident72.5Confident21 Ų2143.9 Ų43.98%0.0824%0.244CC..Hα-helixtrans-59.2-27.4178.9178.4-97.9000113.8S502 D564 L569 S570 Y637 S706S502-W566 WeakPolarHBondContact OG-CB 3.48Å; D564-W566 PolarHBondContact O-N 3.32Å; D564-W566 VanDerWaalsContact O-N 3.13Å; W566-L569 HydrophobicContact CE3-CD2 4.08Å; W566-L569 HydrophobicContact CZ3-CD2 4.25Å; W566-S570 WeakPolarHBondContact O-CB 3.28Å; W566-S570 PolarHBondContact O-N 3.09Å; W566-Y637 HydrophobicContact CE3-CE1 4.43Å; W566-Y637 HydrophobicContact CH2-CE1 4.31Å; W566-Y637 HydrophobicContact CZ3-CD1 4.22Å; W566-Y637 AromaticContact CZ3-CE1 3.51Å; W566-Y637 HydrophobicContact CZ3-CE1 3.51Å; W566-S706 WeakPolarHBondContact CH2-OG 3.38Å; W566-S706 VanDerWaalsContact CZ3-OG 3.3Å; W566-S706 WeakPolarHBondContact CZ3-OG 3.5Å
567I74.3Confident75.4Confident61 Ų6139.2 Ų39.231%0.31321%0.211SC..Hα-helixtrans-71-54.9-175.3-59180000109.4D565 L569 S570 Q571D565-I567 PolarHBondContact O-N 2.92Å; D565-I567 PolarHBondContact OD1-N 3.08Å; D565-I567 VanDerWaalsContact OD1-N 3.12Å; I567-L569 VanDerWaalsContact C-N 3.34Å; I567-S570 PolarHBondContact O-N 2.94Å; I567-Q571 WeakPolarHBondContact O-CG 3.4Å; I567-Q571 PolarHBondContact O-N 2.86Å; I567-Q571 VanDerWaalsContact O-N 3.11Å
568T76.5Confident78.1Confident23 Ų2334.6 Ų34.614%0.14118%0.183CC..Hα-helixtrans-65.5-39.5177.456.30000111.2D565 Q571 Q572D565-T568 PolarHBondContact O-OG1 3.32Å; D565-T568 PolarHBondContact OD1-N 2.99Å; D565-T568 WeakPolarHBondContact OD2-CB 3.41Å; D565-T568 WeakPolarHBondContact OD2-CG2 3.47Å; D565-T568 PolarHBondContact OD2-OG1 3.49Å; T568-Q571 PolarHBondContact O-N 3.32Å; T568-Q572 WeakPolarHBondContact O-CB 3.38Å; T568-Q572 WeakPolarHBondContact O-CG 3.35Å; T568-Q572 PolarHBondContact O-N 3.44Å
569L83.7Confident80.3Confident2 Ų229 Ų291%0.0115%0.153CC..Hα-helixtrans-58.6-49.5174.8-178.966.2000111.4L563 D565 W566 I567 Q571 Q572 L573 W634 Y637L563-L569 HydrophobicContact CD2-CD1 4.22Å; L563-L569 HydrophobicContact CD2-CD2 4.15Å; D565-L569 WeakPolarHBondContact O-CB 3.36Å; D565-L569 PolarHBondContact O-N 3.12Å; W566-L569 HydrophobicContact CE3-CD2 4.08Å; W566-L569 HydrophobicContact CZ3-CD2 4.25Å; I567-L569 VanDerWaalsContact C-N 3.34Å; L569-Q571 VanDerWaalsContact C-N 3.35Å; L569-Q571 PolarHBondContact O-N 3.32Å; L569-Q572 PolarHBondContact O-N 2.85Å; L569-L573 HydrophobicContact CD1-CD1 3.87Å; L569-L573 HydrophobicContact CD1-CG 4.07Å; L569-L573 HydrophobicContact CD2-CD1 4.38Å; L569-L573 HydrophobicContact CG-CD1 3.72Å; L569-L573 HydrophobicContact CG-CG 4.29Å; L569-L573 VanDerWaalsContact O-CB 3.23Å; L569-L573 WeakPolarHBondContact O-CB 3.34Å; L569-L573 WeakPolarHBondContact O-CG 3.38Å; L569-L573 PolarHBondContact O-N 2.68Å; L569-W634 HydrophobicContact CD1-CE3 4.42Å; L569-W634 HydrophobicContact CD1-CH2 3.57Å; L569-W634 HydrophobicContact CD1-CZ2 4.5Å; L569-W634 HydrophobicContact CD1-CZ3 3.53Å; L569-Y637 HydrophobicContact CD2-CD1 4.49Å; L569-Y637 HydrophobicContact CD2-CD2 4.14Å; L569-Y637 HydrophobicContact CD2-CE1 4.3Å; L569-Y637 HydrophobicContact CD2-CE2 3.92Å; L569-Y637 HydrophobicContact CD2-CG 4.43Å
570S84.2Confident82.1Confident43 Ų4324.8 Ų24.830%0.30113%0.13SC..Hα-helixtrans-63.4-39.2-179.1-177.40000112.3W566 I567 D574W566-S570 WeakPolarHBondContact O-CB 3.28Å; W566-S570 PolarHBondContact O-N 3.09Å; I567-S570 PolarHBondContact O-N 2.94Å; S570-D574 PolarHBondContact O-N 3.19Å
571Q83.4Confident83.1Confident41 Ų4121.9 Ų21.919%0.19212%0.115CC..Hα-helixtrans-66-49.3177-71.5168.92.900111.6S249 H444 I567 T568 L569 L573 D574 Q575S249-Q571 WeakPolarHBondContact OG-CG 3.34Å; S249-Q571 PolarHBondContact OG-NE2 3.45Å; H444-Q571 PolarHBondContact ND1-OE1 3.27Å; I567-Q571 WeakPolarHBondContact O-CG 3.4Å; I567-Q571 PolarHBondContact O-N 2.86Å; I567-Q571 VanDerWaalsContact O-N 3.11Å; T568-Q571 PolarHBondContact O-N 3.32Å; L569-Q571 VanDerWaalsContact C-N 3.35Å; L569-Q571 PolarHBondContact O-N 3.32Å; Q571-L573 VanDerWaalsContact C-N 3.29Å; Q571-L573 PolarHBondContact O-N 3.43Å; Q571-D574 PolarHBondContact O-N 3.47Å; Q571-Q575 WeakPolarHBondContact O-CG 3.27Å; Q571-Q575 PolarHBondContact O-N 3.27Å; Q571-Q575 VanDerWaalsContact O-N 3.11Å
572Q87.4Confident83.7Confident8 Ų822 Ų224%0.03712%0.116CC..Hα-helixtrans-63.3-38.1178.9-71.4-174.119.500111.8L447 Y479 T568 L569 Q575 F576L447-Q572 HydrophobicContact CD1-CB 4.41Å; L447-Q572 HydrophobicContact CD1-CG 4.14Å; Y479-Q572 PolarHBondContact OH-OE1 3.42Å; T568-Q572 WeakPolarHBondContact O-CB 3.38Å; T568-Q572 WeakPolarHBondContact O-CG 3.35Å; T568-Q572 PolarHBondContact O-N 3.44Å; L569-Q572 PolarHBondContact O-N 2.85Å; Q572-Q575 PolarHBondContact O-N 3.24Å; Q572-F576 WeakPolarHBondContact O-CB 3.49Å; Q572-F576 PolarHBondContact O-N 3.19Å
573L88.5Confident84.1Confident12 Ų1222.5 Ų22.56%0.06312%0.12CC..Hα-helixtrans-65.3-40.3176-75.9175.4000111.9L569 Q571 F576 G577 Y637 M638 A641L569-L573 HydrophobicContact CD1-CD1 3.87Å; L569-L573 HydrophobicContact CD1-CG 4.07Å; L569-L573 HydrophobicContact CD2-CD1 4.38Å; L569-L573 HydrophobicContact CG-CD1 3.72Å; L569-L573 HydrophobicContact CG-CG 4.29Å; L569-L573 VanDerWaalsContact O-CB 3.23Å; L569-L573 WeakPolarHBondContact O-CB 3.34Å; L569-L573 WeakPolarHBondContact O-CG 3.38Å; L569-L573 PolarHBondContact O-N 2.68Å; Q571-L573 VanDerWaalsContact C-N 3.29Å; Q571-L573 PolarHBondContact O-N 3.43Å; L573-F576 PolarHBondContact O-N 3.44Å; L573-G577 PolarHBondContact O-N 2.85Å; L573-Y637 HydrophobicContact CD1-CD1 4.01Å; L573-Y637 HydrophobicContact CD1-CG 4.06Å; L573-M638 HydrophobicContact CD2-CG 4.41Å; L573-A641 HydrophobicContact CB-CB 3.91Å; L573-A641 HydrophobicContact CD2-CB 4.03Å; L573-A641 HydrophobicContact CG-CB 4.49Å; L573-A641 WeakPolarHBondContact O-CB 3.34Å
574D86.7Confident84.4Confident70 Ų7023.1 Ų23.137%0.37412%0.122SC..Hα-helixtrans-63.6-43.1176.5-170.159.2000112.2Q451 S570 Q571 G577 T578Q451-D574 PolarHBondContact NE2-OD2 3.32Å; S570-D574 PolarHBondContact O-N 3.19Å; Q571-D574 PolarHBondContact O-N 3.47Å; D574-G577 PolarHBondContact O-N 3.34Å; D574-T578 PolarHBondContact O-N 2.91Å; D574-T578 PolarHBondContact O-OG1 3.47Å; D574-T578 VanDerWaalsContact O-OG1 3.09Å
575Q88.6Confident84.9Confident3 Ų324.3 Ų24.31%0.01414%0.137CC..Hα-helixtrans-60.1-51.6172.2-67158.9-11.500110.8H444 L447 T448 Q451 Q571 Q572 G577 T578 I579H444-Q575 PolarHBondContact CE1-NE2 3.26Å; H444-Q575 PolarHBondContact ND1-NE2 2.96Å; H444-Q575 PolarHBondContact O-NE2 3.12Å; L447-Q575 HydrophobicContact CB-CB 3.97Å; L447-Q575 HydrophobicContact CB-CG 4.22Å; T448-Q575 PolarHBondContact OG1-NE2 3.48Å; Q451-Q575 HydrophobicContact CB-CB 4.25Å; Q451-Q575 HydrophobicContact CB-CG 4.31Å; Q451-Q575 VanDerWaalsContact OE1-CG 3.29Å; Q571-Q575 WeakPolarHBondContact O-CG 3.27Å; Q571-Q575 PolarHBondContact O-N 3.27Å; Q571-Q575 VanDerWaalsContact O-N 3.11Å; Q572-Q575 PolarHBondContact O-N 3.24Å; Q575-G577 VanDerWaalsContact C-N 3.33Å; Q575-G577 PolarHBondContact O-N 2.75Å; Q575-T578 PolarHBondContact O-N 2.93Å; Q575-I579 HydrophobicContact CB-CD1 4.5Å; Q575-I579 WeakPolarHBondContact O-CD1 3.43Å; Q575-I579 WeakPolarHBondContact O-CG1 3.3Å; Q575-I579 PolarHBondContact O-N 3.49Å
576F90.8Very high85.3Confident1 Ų127.4 Ų27.40%0.00415%0.147CC..Hα-helixtrans-56.6-44.4178.3174.9-92000112.1I476 Y479 I480 Q572 L573 T578 I579 G580 I591 M638 A641 L642I476-F576 HydrophobicContact CD1-CD2 3.68Å; I476-F576 HydrophobicContact CD1-CE2 3.67Å; I476-F576 HydrophobicContact CD1-CG 4.47Å; I476-F576 HydrophobicContact CD1-CZ 4.44Å; I476-F576 HydrophobicContact CG2-CE2 4.09Å; I476-F576 HydrophobicContact CG2-CZ 4.42Å; Y479-F576 AromaticContact CD1-CD2 3.34Å; Y479-F576 HydrophobicContact CD1-CD2 3.34Å; Y479-F576 AromaticContact CD1-CE2 3.58Å; Y479-F576 HydrophobicContact CD1-CE2 3.58Å; Y479-F576 HydrophobicContact CD1-CG 4.29Å; Y479-F576 AromaticContact CE1-CD2 3.71Å; Y479-F576 HydrophobicContact CE1-CD2 3.71Å; Y479-F576 HydrophobicContact CE1-CE2 4.21Å; Y479-F576 HydrophobicContact CE1-CG 4.22Å; Y479-F576 AromaticContact CG-CD2 3.98Å; Y479-F576 HydrophobicContact CG-CD2 3.98Å; Y479-F576 HydrophobicContact CG-CE2 4.34Å; I480-F576 HydrophobicContact CD1-CE2 4.45Å; I480-F576 HydrophobicContact CD1-CZ 4.25Å; I480-F576 HydrophobicContact CG1-CE2 3.98Å; I480-F576 HydrophobicContact CG1-CZ 4.04Å; Q572-F576 WeakPolarHBondContact O-CB 3.49Å; Q572-F576 PolarHBondContact O-N 3.19Å; L573-F576 PolarHBondContact O-N 3.44Å; F576-T578 VanDerWaalsContact C-N 3.31Å; F576-T578 PolarHBondContact O-N 3.27Å; F576-I579 PolarHBondContact O-N 2.93Å; F576-G580 PolarHBondContact O-N 2.94Å; F576-I591 HydrophobicContact CZ-CD1 4.49Å; F576-M638 HydrophobicContact CD1-CB 4.38Å; F576-M638 HydrophobicContact CD1-CG 4.31Å; F576-M638 HydrophobicContact CE1-CB 3.63Å; F576-M638 HydrophobicContact CE1-CG 3.77Å; F576-M638 HydrophobicContact CZ-CB 4.09Å; F576-M638 HydrophobicContact CZ-CG 3.95Å; F576-M638 HydrophobicContact CZ-SD 4.09Å; F576-A641 HydrophobicContact CD1-CB 4.36Å; F576-L642 HydrophobicContact CD1-CD2 4.5Å; F576-L642 HydrophobicContact CD1-CG 4.46Å; F576-L642 HydrophobicContact CE1-CD1 4.11Å; F576-L642 HydrophobicContact CE1-CD2 4.05Å; F576-L642 HydrophobicContact CE1-CG 3.86Å
577G89.6Confident85.8Confident0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-60.3-40.5-179.500000112.5L573 D574 Q575 A641L573-G577 PolarHBondContact O-N 2.85Å; D574-G577 PolarHBondContact O-N 3.34Å; Q575-G577 VanDerWaalsContact C-N 3.33Å; Q575-G577 PolarHBondContact O-N 2.75Å; G577-A641 WeakPolarHBondContact CA-O 3.24Å
578T87.5Confident86.6Confident12 Ų1223.6 Ų23.67%0.07413%0.129CC..Hα-helixtrans-70.8-47.2176.7-51.90000111.4Q451 V454 A455 D574 Q575 F576 R581 V647Q451-T578 HydrophobicContact CG-CG2 3.85Å; Q451-T578 PolarHBondContact NE2-OG1 3.23Å; V454-T578 WeakPolarHBondContact CG1-O 3.46Å; A455-T578 HydrophobicContact CB-CG2 4.22Å; D574-T578 PolarHBondContact O-N 2.91Å; D574-T578 PolarHBondContact O-OG1 3.47Å; D574-T578 VanDerWaalsContact O-OG1 3.09Å; Q575-T578 PolarHBondContact O-N 2.93Å; F576-T578 VanDerWaalsContact C-N 3.31Å; F576-T578 PolarHBondContact O-N 3.27Å; T578-R581 PolarHBondContact O-N 2.72Å; T578-V647 HydrophobicContact CG2-CG2 4.05Å
579I88.5Confident87.3Confident1 Ų127.1 Ų27.11%0.00515%0.147CC..Hα-helixtrans-63.8-44.3-178.4-62.6165.1000110.3L447 W450 Q451 T472 I476 Q575 F576 R581 C582L447-I579 HydrophobicContact CD2-CD1 4.12Å; W450-I579 HydrophobicContact CB-CD1 3.67Å; W450-I579 HydrophobicContact CB-CG1 4.03Å; Q451-I579 HydrophobicContact CB-CD1 4.42Å; Q451-I579 HydrophobicContact CB-CG1 4.19Å; T472-I579 HydrophobicContact CG2-CB 4.48Å; T472-I579 HydrophobicContact CG2-CG2 3.29Å; T472-I579 WeakPolarHBondContact CG2-O 3.33Å; I476-I579 HydrophobicContact CD1-CB 3.89Å; I476-I579 HydrophobicContact CD1-CG2 3.56Å; I476-I579 HydrophobicContact CG1-CG2 3.7Å; Q575-I579 HydrophobicContact CB-CD1 4.5Å; Q575-I579 WeakPolarHBondContact O-CD1 3.43Å; Q575-I579 WeakPolarHBondContact O-CG1 3.3Å; Q575-I579 PolarHBondContact O-N 3.49Å; F576-I579 PolarHBondContact O-N 2.93Å; I579-R581 PolarHBondContact O-N 3.43Å; I579-C582 WeakPolarHBondContact O-CB 3.14Å; I579-C582 PolarHBondContact O-N 2.91Å
580G87.3Confident87.7Confident0 Ų029.1 Ų29.10%016%0.159CC..Hα-helixtrans-67.7-15.8-175.700000114.7F576 C582 T587F576-G580 PolarHBondContact O-N 2.94Å; G580-C582 VanDerWaalsContact C-N 3.31Å; G580-T587 WeakPolarHBondContact O-CB 3.09Å; G580-T587 PolarHBondContact O-OG1 2.87Å
581R86.2Confident88.2Confident41 Ų4127 Ų2716%0.15515%0.145CC..THydrogen-bonded Turntrans-78.1-13.4171.2-78-174.7172.2-104.5-21.3113.8T578 I579 V583 Y584 L642 I643 G645 R646 D656T578-R581 PolarHBondContact O-N 2.72Å; I579-R581 PolarHBondContact O-N 3.43Å; R581-V583 PolarHBondContact O-N 3.19Å; R581-Y584 HydrophobicContact CG-CD2 4.07Å; R581-Y584 HydrophobicContact CG-CE2 4.34Å; R581-Y584 HydrophobicContact CG-CG 4.44Å; R581-Y584 PolarHBondContact O-N 3.34Å; R581-L642 VanDerWaalsContact CZ-O 3.22Å; R581-L642 PolarHBondContact NE-O 2.75Å; R581-L642 PolarHBondContact NH2-O 3.29Å; R581-I643 PolarHBondContact NH2-O 3.22Å; R581-G645 VanDerWaalsContact CD-O 3.3Å; R581-G645 WeakPolarHBondContact CD-O 3.43Å; R581-R646 VanDerWaalsContact NH1-CG 3.29Å; R581-D656 IonicContact CZ-OD2 2.88Å; R581-D656 IonicContact NH1-OD2 2.74Å; R581-D656 IonicContact NH2-OD1 3.65Å; R581-D656 PolarHBondContact NH2-OD1 3.44Å; R581-D656 IonicContact NH2-OD2 2.76Å; R581-D656 PolarHBondContact NH2-OD2 3.46Å
582C84Confident88.7Confident8 Ų825.7 Ų25.75%0.05414%0.139CC..THydrogen-bonded Turntrans-67.5115.8166.6-165.80000108.7V454 T472 I579 G580V454-C582 HydrophobicContact CG1-CB 3.84Å; V454-C582 HydrophobicContact CG2-CB 4.15Å; T472-C582 HydrophobicContact CG2-CB 3.5Å; T472-C582 PolarHBondContact OG1-SG 3.31Å; I579-C582 WeakPolarHBondContact O-CB 3.14Å; I579-C582 PolarHBondContact O-N 2.91Å; G580-C582 VanDerWaalsContact C-N 3.31Å
583V84Confident89.1Confident46 Ų4631.2 Ų31.228%0.27917%0.168SC..THydrogen-bonded Turntrans56.448.2-171.6-160.20000112.5D469 P473 R581 G585 K586D469-V583 HydrophobicContact CB-CG2 3.82Å; D469-V583 VanDerWaalsContact O-CG2 3.27Å; D469-V583 WeakPolarHBondContact O-CG2 3.48Å; P473-V583 HydrophobicContact CG-CB 4.12Å; P473-V583 HydrophobicContact CG-CG2 4.2Å; R581-V583 PolarHBondContact O-N 3.19Å; V583-G585 VanDerWaalsContact C-N 3.26Å; V583-G585 PolarHBondContact O-N 3.48Å; V583-K586 HydrophobicContact CG1-CB 4.22Å; V583-K586 HydrophobicContact CG1-CD 3.73Å; V583-K586 HydrophobicContact CG1-CG 3.85Å; V583-K586 PolarHBondContact O-N 3.39Å
584Y87.3Confident89.3Confident19 Ų1932.3 Ų32.38%0.07517%0.174CC..Hα-helixtrans-47.8-39.9-170.6-169.6-140.4000115.4R581 K586 T587 C588 L642 A652 C655 D656R581-Y584 HydrophobicContact CG-CD2 4.07Å; R581-Y584 HydrophobicContact CG-CE2 4.34Å; R581-Y584 HydrophobicContact CG-CG 4.44Å; R581-Y584 PolarHBondContact O-N 3.34Å; Y584-K586 VanDerWaalsContact C-N 3.31Å; Y584-K586 PolarHBondContact O-N 3.1Å; Y584-T587 PolarHBondContact O-N 2.89Å; Y584-C588 VanDerWaalsContact CD2-SG 3.51Å; Y584-C588 WeakPolarHBondContact CE2-SG 3.49Å; Y584-C588 WeakPolarHBondContact O-CB 3.49Å; Y584-C588 PolarHBondContact O-N 2.96Å; Y584-C588 PolarHBondContact O-SG 2.93Å; Y584-L642 HydrophobicContact CE2-CB 4.11Å; Y584-L642 HydrophobicContact CE2-CD1 4.38Å; Y584-L642 HydrophobicContact CE2-CD2 4.16Å; Y584-L642 HydrophobicContact CE2-CG 4.45Å; Y584-A652 HydrophobicContact CD1-CB 3.76Å; Y584-A652 HydrophobicContact CE1-CB 3.95Å; Y584-C655 HydrophobicContact CD1-CB 3.72Å; Y584-C655 HydrophobicContact CE1-CB 3.41Å; Y584-C655 VanDerWaalsContact CE1-CB 3.41Å; Y584-D656 PolarHBondContact OH-OD1 2.95Å
585G87.3Confident89.8Confident34 Ų3429.2 Ų29.235%0.35116%0.157SC..Hα-helixtrans-60.3-35.7-179.300000113.9V583 N589V583-G585 VanDerWaalsContact C-N 3.26Å; V583-G585 PolarHBondContact O-N 3.48Å; G585-N589 PolarHBondContact O-N 2.9Å; G585-N589 VanDerWaalsContact O-N 3.12Å; G585-N589 PolarHBondContact O-ND2 2.64Å
586K87.1Confident90Very high129 Ų12932.2 Ų32.256%0.56117%0.173SC*.Hα-helixtrans-69.3-46.3176.1-71.2-174.9-174.71750111.1V583 Y584 C588 N589 T590V583-K586 HydrophobicContact CG1-CB 4.22Å; V583-K586 HydrophobicContact CG1-CD 3.73Å; V583-K586 HydrophobicContact CG1-CG 3.85Å; V583-K586 PolarHBondContact O-N 3.39Å; Y584-K586 VanDerWaalsContact C-N 3.31Å; Y584-K586 PolarHBondContact O-N 3.1Å; K586-C588 VanDerWaalsContact C-N 3.32Å; K586-C588 PolarHBondContact O-N 3.22Å; K586-N589 PolarHBondContact O-N 3.26Å; K586-T590 PolarHBondContact O-N 3.39Å; K586-T590 VanDerWaalsContact O-N 3.09Å; K586-T590 PolarHBondContact O-OG1 2.88Å
587T89Confident90.2Very high1 Ų138.1 Ų38.11%0.00620%0.201CC..Hα-helixtrans-58-45.3177.1-53.10000111.2I476 G580 Y584 N589 T590 I591 L642I476-T587 HydrophobicContact CG2-CG2 3.68Å; G580-T587 WeakPolarHBondContact O-CB 3.09Å; G580-T587 PolarHBondContact O-OG1 2.87Å; Y584-T587 PolarHBondContact O-N 2.89Å; T587-N589 PolarHBondContact O-N 3.35Å; T587-T590 PolarHBondContact O-N 3.49Å; T587-I591 HydrophobicContact CG2-CD1 4.04Å; T587-I591 WeakPolarHBondContact O-CG1 3.5Å; T587-I591 PolarHBondContact O-N 3.11Å; T587-I591 VanDerWaalsContact O-N 3.08Å; T587-L642 HydrophobicContact CG2-CD1 4.21Å; T587-L642 HydrophobicContact CG2-CD2 4.34Å
588C90.4Very high90.5Very high2 Ų239.2 Ų39.21%0.01421%0.205CC..Hα-helixtrans-60.3-46.7177.6-68.20000111.8Y584 K586 T590 I591 V592 C655Y584-C588 VanDerWaalsContact CD2-SG 3.51Å; Y584-C588 WeakPolarHBondContact CE2-SG 3.49Å; Y584-C588 WeakPolarHBondContact O-CB 3.49Å; Y584-C588 PolarHBondContact O-N 2.96Å; Y584-C588 PolarHBondContact O-SG 2.93Å; K586-C588 VanDerWaalsContact C-N 3.32Å; K586-C588 PolarHBondContact O-N 3.22Å; C588-T590 VanDerWaalsContact C-N 3.34Å; C588-T590 PolarHBondContact O-N 3.44Å; C588-I591 PolarHBondContact O-N 3.01Å; C588-V592 VanDerWaalsContact O-CB 3.31Å; C588-V592 WeakPolarHBondContact O-CB 3.35Å; C588-V592 VanDerWaalsContact O-CG2 3.24Å; C588-V592 WeakPolarHBondContact O-CG2 3.17Å; C588-V592 PolarHBondContact O-N 2.79Å; C588-C655 HydrophobicContact CB-CB 4.33Å
589N92.4Very high90.8Very high96 Ų9639.4 Ų39.451%0.51321%0.208SC..Hα-helixtrans-60.2-42.6178.9-71.8-17.5000112.2G585 K586 T587 V592 L593G585-N589 PolarHBondContact O-N 2.9Å; G585-N589 VanDerWaalsContact O-N 3.12Å; G585-N589 PolarHBondContact O-ND2 2.64Å; K586-N589 PolarHBondContact O-N 3.26Å; T587-N589 PolarHBondContact O-N 3.35Å; N589-V592 PolarHBondContact O-N 3.41Å; N589-L593 WeakPolarHBondContact O-CG 3.33Å; N589-L593 PolarHBondContact O-N 3.09Å; N589-L593 VanDerWaalsContact O-N 3.1Å
590T92.3Very high91.1Very high44 Ų4441.5 Ų41.527%0.2722%0.223SC..Hα-helixtrans-60.1-48.8175.8-55.60000111.3N477 K586 T587 C588 V592 L593 L594N477-T590 PolarHBondContact OD1-OG1 3.01Å; K586-T590 PolarHBondContact O-N 3.39Å; K586-T590 VanDerWaalsContact O-N 3.09Å; K586-T590 PolarHBondContact O-OG1 2.88Å; T587-T590 PolarHBondContact O-N 3.49Å; C588-T590 VanDerWaalsContact C-N 3.34Å; C588-T590 PolarHBondContact O-N 3.44Å; T590-V592 VanDerWaalsContact C-N 3.35Å; T590-V592 PolarHBondContact O-N 2.86Å; T590-L593 PolarHBondContact O-N 2.83Å; T590-L594 HydrophobicContact CG2-CD1 4.21Å; T590-L594 WeakPolarHBondContact O-CG 3.27Å; T590-L594 PolarHBondContact O-N 2.97Å
591I93.7Very high91.3Very high0 Ų043.4 Ų43.40%024%0.236CC..Hα-helixtrans-64.9-41-179-69.2172.7000111.1I480 F576 T587 C588 L593 L594 F595 L635 V639 L642 L659I480-I591 HydrophobicContact CD1-CD1 4.28Å; I480-I591 HydrophobicContact CD1-CG1 3.91Å; F576-I591 HydrophobicContact CZ-CD1 4.49Å; T587-I591 HydrophobicContact CG2-CD1 4.04Å; T587-I591 WeakPolarHBondContact O-CG1 3.5Å; T587-I591 PolarHBondContact O-N 3.11Å; T587-I591 VanDerWaalsContact O-N 3.08Å; C588-I591 PolarHBondContact O-N 3.01Å; I591-L593 PolarHBondContact O-N 3.39Å; I591-L594 PolarHBondContact O-N 3.45Å; I591-F595 WeakPolarHBondContact O-CB 3.04Å; I591-F595 PolarHBondContact O-N 2.74Å; I591-L635 HydrophobicContact CG2-CD2 4.5Å; I591-V639 HydrophobicContact CG2-CG2 3.89Å; I591-L642 HydrophobicContact CD1-CD1 3.24Å; I591-L659 HydrophobicContact CB-CD2 4.34Å; I591-L659 HydrophobicContact CG2-CD2 3.88Å
592V94.1Very high91.5Very high13 Ų1341.4 Ų41.48%0.07923%0.229CC..Hα-helixtrans-57.7-48.8177.4157.20000111.6C588 N589 T590 L594 F595 D596 E658 L659C588-V592 VanDerWaalsContact O-CB 3.31Å; C588-V592 WeakPolarHBondContact O-CB 3.35Å; C588-V592 VanDerWaalsContact O-CG2 3.24Å; C588-V592 WeakPolarHBondContact O-CG2 3.17Å; C588-V592 PolarHBondContact O-N 2.79Å; N589-V592 PolarHBondContact O-N 3.41Å; T590-V592 VanDerWaalsContact C-N 3.35Å; T590-V592 PolarHBondContact O-N 2.86Å; V592-L594 PolarHBondContact O-N 2.99Å; V592-F595 PolarHBondContact O-N 3.26Å; V592-D596 WeakPolarHBondContact O-CB 3.35Å; V592-D596 PolarHBondContact O-N 2.88Å; V592-E658 HydrophobicContact CG2-CG 4.18Å; V592-L659 HydrophobicContact CG2-CD2 3.85Å
593L95.2Very high91.8Very high123 Ų12345.6 Ų45.664%0.64425%0.248SC*.Hα-helixtrans-61.6-45.7-179.2-71171.2000111.8N589 T590 I591 E597N589-L593 WeakPolarHBondContact O-CG 3.33Å; N589-L593 PolarHBondContact O-N 3.09Å; N589-L593 VanDerWaalsContact O-N 3.1Å; T590-L593 PolarHBondContact O-N 2.83Å; I591-L593 PolarHBondContact O-N 3.39Å; L593-E597 PolarHBondContact O-N 2.8Å
594L94.1Very high92Very high36 Ų3649.7 Ų49.719%0.18826%0.262CS..Hα-helixtrans-65.9-41.2177.5-65.8172000111.8I480 L484 T590 I591 V592 E597 Y598 L635I480-L594 HydrophobicContact CG2-CD1 3.66Å; L484-L594 HydrophobicContact CD1-CD1 3.96Å; T590-L594 HydrophobicContact CG2-CD1 4.21Å; T590-L594 WeakPolarHBondContact O-CG 3.27Å; T590-L594 PolarHBondContact O-N 2.97Å; I591-L594 PolarHBondContact O-N 3.45Å; V592-L594 PolarHBondContact O-N 2.99Å; L594-E597 PolarHBondContact O-N 3.35Å; L594-Y598 HydrophobicContact CB-CE2 4.07Å; L594-Y598 HydrophobicContact CD2-CE2 4.42Å; L594-Y598 WeakPolarHBondContact O-CD2 3.39Å; L594-Y598 VanDerWaalsContact O-CG 3.23Å; L594-Y598 PolarHBondContact O-N 3.23Å; L594-Y598 VanDerWaalsContact O-N 3.09Å; L594-L635 HydrophobicContact CB-CD1 4.16Å
595F95.8Very high92Very high5 Ų549 Ų492%0.02226%0.26CS..Hα-helixtrans-63.9-46.3179.9-167.7-75.8000111.4I591 V592 E597 Y598 A599 L632 L635 V636 R662 V663 L666I591-F595 WeakPolarHBondContact O-CB 3.04Å; I591-F595 PolarHBondContact O-N 2.74Å; V592-F595 PolarHBondContact O-N 3.26Å; F595-E597 VanDerWaalsContact C-N 3.33Å; F595-E597 PolarHBondContact O-N 2.72Å; F595-Y598 PolarHBondContact O-N 2.76Å; F595-A599 HydrophobicContact CD1-CB 4.12Å; F595-A599 HydrophobicContact CE1-CB 4.04Å; F595-A599 WeakPolarHBondContact O-CB 3.29Å; F595-A599 PolarHBondContact O-N 2.87Å; F595-L632 HydrophobicContact CD2-CD2 4.25Å; F595-L632 HydrophobicContact CE2-CD2 4.18Å; F595-L632 HydrophobicContact CG-CD2 4.48Å; F595-L632 HydrophobicContact CZ-CD2 4.33Å; F595-L635 HydrophobicContact CB-CD1 4.06Å; F595-L635 HydrophobicContact CD2-CB 4.01Å; F595-L635 HydrophobicContact CD2-CD1 4.2Å; F595-V636 HydrophobicContact CE2-CG2 4.08Å; F595-R662 HydrophobicContact CD1-CB 3.74Å; F595-R662 HydrophobicContact CD1-CG 4.23Å; F595-R662 HydrophobicContact CE1-CB 3.6Å; F595-R662 HydrophobicContact CE1-CG 4.44Å; F595-R662 WeakPolarHBondContact CE1-O 3.45Å; F595-R662 HydrophobicContact CG-CB 4.38Å; F595-R662 HydrophobicContact CZ-CB 4.11Å; F595-V663 HydrophobicContact CE2-CG2 4.11Å; F595-V663 HydrophobicContact CZ-CG2 4.34Å; F595-L666 HydrophobicContact CE1-CB 4.19Å; F595-L666 HydrophobicContact CE2-CD2 4.11Å; F595-L666 HydrophobicContact CZ-CB 3.77Å; F595-L666 HydrophobicContact CZ-CD2 3.62Å; F595-L666 HydrophobicContact CZ-CG 4.3Å
596D94.6Very high91.8Very high65 Ų6547.8 Ų47.835%0.34825%0.245SC..Hα-helixtrans-65.1-38.4-179.1-70.6-15.5000111.5V592 S600 R662V592-D596 WeakPolarHBondContact O-CB 3.35Å; V592-D596 PolarHBondContact O-N 2.88Å; D596-S600 VanDerWaalsContact O-CB 3.27Å; D596-S600 WeakPolarHBondContact O-CB 3.49Å; D596-S600 PolarHBondContact O-N 2.89Å; D596-R662 VanDerWaalsContact CG-NE 3.33Å; D596-R662 WeakPolarHBondContact OD1-CD 3.46Å; D596-R662 IonicContact OD1-CZ 2.79Å; D596-R662 IonicContact OD1-NE 2.77Å; D596-R662 PolarHBondContact OD1-NE 2.68Å; D596-R662 IonicContact OD1-NH2 3.82Å; D596-R662 IonicContact OD2-CZ 2.78Å; D596-R662 IonicContact OD2-NE 2.62Å; D596-R662 PolarHBondContact OD2-NE 3.26Å; D596-R662 IonicContact OD2-NH2 2.82Å; D596-R662 PolarHBondContact OD2-NH2 3.3Å
597E94.8Very high91.7Very high125 Ų12545.7 Ų45.758%0.58424%0.24SC*.Hα-helixtrans-61-53.8175-174.2-176.9164.400111.6L593 L594 F595 S600 S601L593-E597 PolarHBondContact O-N 2.8Å; L594-E597 PolarHBondContact O-N 3.35Å; F595-E597 VanDerWaalsContact C-N 3.33Å; F595-E597 PolarHBondContact O-N 2.72Å; E597-S600 PolarHBondContact O-N 3.09Å; E597-S601 PolarHBondContact O-N 3.15Å
598Y94.4Very high91.3Very high23 Ų2349.3 Ų49.39%0.0926%0.258CS..Hα-helixtrans-71.2-36.9-176.6-57.6-26.1000112.5L484 L594 F595 S601 L602 E628 R631 L635L484-Y598 HydrophobicContact CD1-CE2 3.98Å; L484-Y598 HydrophobicContact CD2-CE2 4.33Å; L594-Y598 HydrophobicContact CB-CE2 4.07Å; L594-Y598 HydrophobicContact CD2-CE2 4.42Å; L594-Y598 WeakPolarHBondContact O-CD2 3.39Å; L594-Y598 VanDerWaalsContact O-CG 3.23Å; L594-Y598 PolarHBondContact O-N 3.23Å; L594-Y598 VanDerWaalsContact O-N 3.09Å; F595-Y598 PolarHBondContact O-N 2.76Å; Y598-S601 WeakPolarHBondContact O-CB 3.33Å; Y598-S601 PolarHBondContact O-N 3.46Å; Y598-L602 PolarHBondContact O-N 3.28Å; Y598-E628 WeakPolarHBondContact CA-OE2 3.43Å; Y598-E628 VanDerWaalsContact CB-OE2 3.26Å; Y598-E628 WeakPolarHBondContact CB-OE2 3.26Å; Y598-E628 WeakPolarHBondContact CD1-OE2 3.49Å; Y598-R631 HydrophobicContact CD2-CB 3.74Å; Y598-R631 HydrophobicContact CD2-CG 4.34Å; Y598-R631 HydrophobicContact CE2-CB 4.11Å; Y598-R631 HydrophobicContact CE2-CG 4.29Å; Y598-R631 HydrophobicContact CG-CB 4.18Å; Y598-L635 HydrophobicContact CD2-CD1 3.67Å; Y598-L635 HydrophobicContact CE2-CD1 4.13Å
599A94.1Very high90.6Very high17 Ų1751 Ų5114%0.1427%0.267CS..Hα-helixtrans-65.4-40.9175.600000111.8F595 S601 L602 E603 L632F595-A599 HydrophobicContact CD1-CB 4.12Å; F595-A599 HydrophobicContact CE1-CB 4.04Å; F595-A599 WeakPolarHBondContact O-CB 3.29Å; F595-A599 PolarHBondContact O-N 2.87Å; A599-S601 VanDerWaalsContact C-N 3.33Å; A599-L602 PolarHBondContact O-N 3.43Å; A599-E603 WeakPolarHBondContact O-CB 3.46Å; A599-E603 PolarHBondContact O-N 2.94Å; A599-L632 HydrophobicContact CB-CD2 4.26Å
600S94.3Very high89.7Confident45 Ų4549.6 Ų49.632%0.31526%0.262SS..Hα-helixtrans-65.4-37174.4-176.90000112.2D596 E597 K604D596-S600 VanDerWaalsContact O-CB 3.27Å; D596-S600 WeakPolarHBondContact O-CB 3.49Å; D596-S600 PolarHBondContact O-N 2.89Å; E597-S600 PolarHBondContact O-N 3.09Å; S600-K604 WeakPolarHBondContact O-CD 3.4Å; S600-K604 VanDerWaalsContact O-CG 3.28Å; S600-K604 WeakPolarHBondContact O-CG 3.42Å; S600-K604 PolarHBondContact O-N 3.49Å; S600-K604 VanDerWaalsContact O-N 3.1Å
601S92Very high88.6Confident39 Ų3951.5 Ų51.527%0.27328%0.277SS..Hα-helixtrans-62.3-47.3173.8-166.90000111.5E597 Y598 A599 E603 K604 A605E597-S601 PolarHBondContact O-N 3.15Å; Y598-S601 WeakPolarHBondContact O-CB 3.33Å; Y598-S601 PolarHBondContact O-N 3.46Å; A599-S601 VanDerWaalsContact C-N 3.33Å; S601-E603 PolarHBondContact O-N 3.36Å; S601-K604 PolarHBondContact O-N 3.32Å; S601-A605 PolarHBondContact O-N 3.41Å
602L90.5Very high86.8Confident0 Ų055.2 Ų55.20%030%0.297CS..Hα-helixtrans-62-43.7176.6-175.168.5000112.1Y598 A599 K604 A605 F606 L625 E628 E629 L632 L666 L669Y598-L602 PolarHBondContact O-N 3.28Å; A599-L602 PolarHBondContact O-N 3.43Å; L602-K604 VanDerWaalsContact C-N 3.33Å; L602-K604 PolarHBondContact O-N 2.94Å; L602-A605 WeakPolarHBondContact O-CB 3.45Å; L602-A605 PolarHBondContact O-N 3.43Å; L602-A605 VanDerWaalsContact O-N 3.15Å; L602-F606 HydrophobicContact CD1-CD1 4.33Å; L602-F606 HydrophobicContact CD1-CE1 3.77Å; L602-F606 HydrophobicContact CD1-CE2 4.38Å; L602-F606 HydrophobicContact CD1-CZ 3.79Å; L602-F606 HydrophobicContact CD2-CE2 4.08Å; L602-F606 HydrophobicContact CD2-CZ 4.06Å; L602-F606 HydrophobicContact CG-CD2 4.42Å; L602-F606 HydrophobicContact CG-CE1 4.27Å; L602-F606 HydrophobicContact CG-CE2 4.03Å; L602-F606 HydrophobicContact CG-CZ 3.94Å; L602-F606 PolarHBondContact O-N 3.16Å; L602-L625 HydrophobicContact CD1-CD2 4.08Å; L602-E628 HydrophobicContact CB-CB 4.3Å; L602-E628 HydrophobicContact CD1-CB 4.3Å; L602-E629 HydrophobicContact CD1-CG 4.13Å; L602-L632 HydrophobicContact CB-CD1 3.95Å; L602-L632 HydrophobicContact CD2-CD1 3.49Å; L602-L632 VanDerWaalsContact CD2-CD1 3.49Å; L602-L632 HydrophobicContact CG-CD1 4.29Å; L602-L666 HydrophobicContact CD2-CD1 3.95Å; L602-L669 HydrophobicContact CD2-CD2 4.18Å
603E90.9Very high84.8Confident96 Ų9662.1 Ų62.145%0.44933%0.334SS..Hα-helixtrans-58.4-45177.1-169.9178.5-179.100111.8A599 S601 A605 F606 N607 L669A599-E603 WeakPolarHBondContact O-CB 3.46Å; A599-E603 PolarHBondContact O-N 2.94Å; S601-E603 PolarHBondContact O-N 3.36Å; E603-A605 VanDerWaalsContact C-N 3.33Å; E603-A605 PolarHBondContact O-N 3.42Å; E603-F606 PolarHBondContact O-N 3.02Å; E603-N607 WeakPolarHBondContact O-CB 3.34Å; E603-N607 VanDerWaalsContact O-CG 3.26Å; E603-N607 PolarHBondContact O-N 2.87Å; E603-N607 PolarHBondContact O-ND2 3.33Å; E603-L669 HydrophobicContact CB-CD1 3.65Å; E603-L669 HydrophobicContact CG-CD1 3.69Å
604K89Confident82.6Confident132 Ų13262.8 Ų62.857%0.57434%0.335SS*.Hα-helixtrans-60.7-42.9175.4-72164.5-177.3161.10111.2S600 S601 L602 N607 I608S600-K604 WeakPolarHBondContact O-CD 3.4Å; S600-K604 VanDerWaalsContact O-CG 3.28Å; S600-K604 WeakPolarHBondContact O-CG 3.42Å; S600-K604 PolarHBondContact O-N 3.49Å; S600-K604 VanDerWaalsContact O-N 3.1Å; S601-K604 PolarHBondContact O-N 3.32Å; L602-K604 VanDerWaalsContact C-N 3.33Å; L602-K604 PolarHBondContact O-N 2.94Å; K604-N607 PolarHBondContact O-N 3.05Å; K604-I608 VanDerWaalsContact O-CG1 3.27Å; K604-I608 WeakPolarHBondContact O-CG1 3.49Å; K604-I608 PolarHBondContact O-N 2.97Å
605A85.5Confident80.5Confident4 Ų465.8 Ų65.83%0.03336%0.359CS..Hα-helixtrans-63.4-42.3177.900000112.2S601 L602 E603 I608 L609 L621 L625S601-A605 PolarHBondContact O-N 3.41Å; L602-A605 WeakPolarHBondContact O-CB 3.45Å; L602-A605 PolarHBondContact O-N 3.43Å; L602-A605 VanDerWaalsContact O-N 3.15Å; E603-A605 VanDerWaalsContact C-N 3.33Å; E603-A605 PolarHBondContact O-N 3.42Å; A605-I608 PolarHBondContact O-N 3.46Å; A605-L609 PolarHBondContact O-N 2.99Å; A605-L609 VanDerWaalsContact O-N 3.11Å; A605-L621 HydrophobicContact CB-CD1 4.11Å; A605-L625 HydrophobicContact CB-CD2 3.48Å; A605-L625 VanDerWaalsContact CB-CD2 3.48Å; A605-L625 HydrophobicContact CB-CG 4.16Å
606F84.9Confident78.2Confident8 Ų869.4 Ų69.44%0.03538%0.381CS..Hα-helixtrans-65-37.9174.2-73.6-6.9000113.2L602 E603 I608 L609 T610 L625 L669 F673 M697L602-F606 HydrophobicContact CD1-CD1 4.33Å; L602-F606 HydrophobicContact CD1-CE1 3.77Å; L602-F606 HydrophobicContact CD1-CE2 4.38Å; L602-F606 HydrophobicContact CD1-CZ 3.79Å; L602-F606 HydrophobicContact CD2-CE2 4.08Å; L602-F606 HydrophobicContact CD2-CZ 4.06Å; L602-F606 HydrophobicContact CG-CD2 4.42Å; L602-F606 HydrophobicContact CG-CE1 4.27Å; L602-F606 HydrophobicContact CG-CE2 4.03Å; L602-F606 HydrophobicContact CG-CZ 3.94Å; L602-F606 PolarHBondContact O-N 3.16Å; E603-F606 PolarHBondContact O-N 3.02Å; F606-I608 VanDerWaalsContact C-N 3.33Å; F606-I608 PolarHBondContact O-N 2.96Å; F606-L609 HydrophobicContact CD1-CD1 4.4Å; F606-L609 PolarHBondContact O-N 2.74Å; F606-T610 WeakPolarHBondContact O-CG2 3.49Å; F606-T610 PolarHBondContact O-N 3.24Å; F606-T610 PolarHBondContact O-OG1 3.3Å; F606-L625 HydrophobicContact CD1-CD2 3.75Å; F606-L625 HydrophobicContact CE1-CD2 3.71Å; F606-L669 HydrophobicContact CD2-CD2 3.45Å; F606-L669 VanDerWaalsContact CD2-CD2 3.45Å; F606-L669 HydrophobicContact CD2-CG 4.35Å; F606-L669 HydrophobicContact CE2-CD2 3.4Å; F606-L669 VanDerWaalsContact CE2-CD2 3.4Å; F606-F673 HydrophobicContact CB-CD2 3.77Å; F606-F673 HydrophobicContact CB-CE2 4.07Å; F606-F673 AromaticContact CD1-CD2 3.96Å; F606-F673 HydrophobicContact CD1-CD2 3.96Å; F606-F673 HydrophobicContact CD1-CE1 4.43Å; F606-F673 AromaticContact CD1-CE2 3.85Å; F606-F673 HydrophobicContact CD1-CE2 3.85Å; F606-F673 HydrophobicContact CD1-CG 4.28Å; F606-F673 HydrophobicContact CD1-CZ 4.11Å; F606-F673 HydrophobicContact CD2-CB 3.85Å; F606-F673 HydrophobicContact CD2-CD1 4.46Å; F606-F673 AromaticContact CD2-CD2 3.85Å; F606-F673 HydrophobicContact CD2-CD2 3.85Å; F606-F673 AromaticContact CD2-CG 3.79Å; F606-F673 HydrophobicContact CD2-CG 3.79Å; F606-F673 HydrophobicContact CE1-CD1 4.27Å; F606-F673 HydrophobicContact CE1-CE1 4.22Å; F606-F673 HydrophobicContact CE1-CE2 4.43Å; F606-F673 HydrophobicContact CE1-CG 4.41Å; F606-F673 HydrophobicContact CE1-CZ 4.29Å; F606-F673 HydrophobicContact CE2-CB 3.97Å; F606-F673 HydrophobicContact CE2-CD1 4.23Å; F606-F673 HydrophobicContact CE2-CD2 4.42Å; F606-F673 AromaticContact CE2-CG 3.94Å; F606-F673 HydrophobicContact CE2-CG 3.94Å; F606-F673 HydrophobicContact CG-CB 4.48Å; F606-F673 AromaticContact CG-CD2 3.6Å; F606-F673 HydrophobicContact CG-CD2 3.6Å; F606-F673 AromaticContact CG-CE2 3.93Å; F606-F673 HydrophobicContact CG-CE2 3.93Å; F606-F673 AromaticContact CG-CG 3.98Å; F606-F673 HydrophobicContact CG-CG 3.98Å; F606-F673 HydrophobicContact CZ-CD1 4.14Å; F606-F673 HydrophobicContact CZ-CE1 4.49Å; F606-F673 HydrophobicContact CZ-CG 4.27Å; F606-M697 HydrophobicContact CE1-CE 4.38Å; F606-M697 HydrophobicContact CZ-CE 3.76Å
607N83.4Confident76.2Confident86 Ų8673.2 Ų73.246%0.4640%0.401SS..Hα-helixtrans-65.7-35.9175.1-72.2-26.4000112E603 K604 T610 S611E603-N607 WeakPolarHBondContact O-CB 3.34Å; E603-N607 VanDerWaalsContact O-CG 3.26Å; E603-N607 PolarHBondContact O-N 2.87Å; E603-N607 PolarHBondContact O-ND2 3.33Å; K604-N607 PolarHBondContact O-N 3.05Å; N607-T610 WeakPolarHBondContact CA-OG1 3.38Å; N607-T610 PolarHBondContact O-N 3.06Å; N607-T610 PolarHBondContact O-OG1 2.88Å; N607-T610 VanDerWaalsContact O-OG1 3.14Å; N607-S611 VanDerWaalsContact O-CB 3.27Å; N607-S611 WeakPolarHBondContact O-CB 3.47Å; N607-S611 PolarHBondContact O-N 2.82Å; N607-S611 PolarHBondContact O-OG 3.18Å
608I80.9Confident74.9Confident77 Ų7771.5 Ų71.540%0.39540%0.397SS..Hα-helixtrans-65.1-43.9174.3-67.6162.7000110.5K604 A605 F606 T610 N612 L621K604-I608 VanDerWaalsContact O-CG1 3.27Å; K604-I608 WeakPolarHBondContact O-CG1 3.49Å; K604-I608 PolarHBondContact O-N 2.97Å; A605-I608 PolarHBondContact O-N 3.46Å; F606-I608 VanDerWaalsContact C-N 3.33Å; F606-I608 PolarHBondContact O-N 2.96Å; I608-T610 VanDerWaalsContact C-N 3.3Å; I608-T610 PolarHBondContact O-N 2.88Å; I608-N612 WeakPolarHBondContact O-CB 3.47Å; I608-N612 PolarHBondContact O-N 2.8Å; I608-N612 VanDerWaalsContact O-N 3.16Å; I608-L621 HydrophobicContact CG2-CD1 4.46Å; I608-L621 HydrophobicContact CG2-CD2 3.93Å
609L75.6Confident73.8Confident36 Ų3673.6 Ų73.619%0.18841%0.414CS..Hα-helixtrans-63.1-33.3177.3-74.8177.4000113.7A605 F606 L621 L625 F673A605-L609 PolarHBondContact O-N 2.99Å; A605-L609 VanDerWaalsContact O-N 3.11Å; F606-L609 HydrophobicContact CD1-CD1 4.4Å; F606-L609 PolarHBondContact O-N 2.74Å; L609-L621 HydrophobicContact CD2-CD2 3.55Å; L609-L621 HydrophobicContact CD2-CG 4.42Å; L609-L621 HydrophobicContact CG-CD2 3.98Å; L609-L625 HydrophobicContact CD1-CD1 3.66Å; L609-L625 HydrophobicContact CD1-CD2 4.37Å; L609-L625 HydrophobicContact CG-CD1 4.33Å; L609-F673 HydrophobicContact CB-CE2 4.38Å; L609-F673 HydrophobicContact CD1-CE2 4.1Å; L609-F673 HydrophobicContact CD1-CZ 3.85Å
610T73.2Confident73.1Confident67 Ų6779.5 Ų79.541%0.41144%0.439SS..Hα-helixtrans-88-31.6-177.148.50000113.2F606 N607 I608 F673F606-T610 WeakPolarHBondContact O-CG2 3.49Å; F606-T610 PolarHBondContact O-N 3.24Å; F606-T610 PolarHBondContact O-OG1 3.3Å; N607-T610 WeakPolarHBondContact CA-OG1 3.38Å; N607-T610 PolarHBondContact O-N 3.06Å; N607-T610 PolarHBondContact O-OG1 2.88Å; N607-T610 VanDerWaalsContact O-OG1 3.14Å; I608-T610 VanDerWaalsContact C-N 3.3Å; I608-T610 PolarHBondContact O-N 2.88Å; T610-F673 HydrophobicContact CG2-CD2 4.35Å; T610-F673 HydrophobicContact CG2-CE2 4.26Å
611S70.2Confident72.4Confident85 Ų8578.7 Ų78.759%0.59443%0.431SS*.Hα-helixtrans-83.2-31.5-179.457.90000113.9N607N607-S611 VanDerWaalsContact O-CB 3.27Å; N607-S611 WeakPolarHBondContact O-CB 3.47Å; N607-S611 PolarHBondContact O-N 2.82Å; N607-S611 PolarHBondContact O-OG 3.18Å
612N54.5Low71.8Confident78 Ų7881 Ų8142%0.41744%0.437SS..  trans-98.2113.7-178.7-71.7-22.3000110.5I608 M614I608-N612 WeakPolarHBondContact O-CB 3.47Å; I608-N612 PolarHBondContact O-N 2.8Å; I608-N612 VanDerWaalsContact O-N 3.16Å; N612-M614 HydrophobicContact CB-CB 4.11Å; N612-M614 HydrophobicContact CB-CG 4.11Å; N612-M614 PolarHBondContact O-N 2.88Å
613N54Low71.4Confident158 Ų15885.3 Ų85.385%0.84546%0.458SS*.  trans-65.230.9161-79.6-22.4000112.1
614M47.9Very low71.1Confident137 Ų13783.6 Ų83.668%0.67545%0.454SS*.  trans-75.9133.7179.4-84.1-160.56300110.5N612 V616N612-M614 HydrophobicContact CB-CB 4.11Å; N612-M614 HydrophobicContact CB-CG 4.11Å; N612-M614 PolarHBondContact O-N 2.88Å; M614-V616 PolarHBondContact O-N 3.44Å
615S49.7Very low71Confident99 Ų9978 Ų7869%0.69243%0.43SS*.  trans-61.396.7176.752.80000111.9N617S615-N617 PolarHBondContact O-N 3.43Å
616V48.2Very low71Confident80 Ų8080 Ų8049%0.48544%0.437SS..SBendtrans42.7-11.6139-177.30000121.7M614 L690M614-V616 PolarHBondContact O-N 3.44Å; V616-L690 HydrophobicContact CG1-CD1 3.95Å
617N53.3Low71.1Confident145 Ų14581.2 Ų81.278%0.77544%0.443SS*.  trans-119.123.2-168.6-68.5-2000115.3S615 S619S615-N617 PolarHBondContact O-N 3.43Å; N617-S619 PolarHBondContact O-N 2.92Å
618D65.9Low71.5Confident90 Ų9077.6 Ų77.648%0.48142%0.424SS..  trans-8087.5173.2-160.4-7.9000110.9Q620 L621 E622D618-Q620 PolarHBondContact O-N 2.93Å; D618-Q620 VanDerWaalsContact O-N 3.09Å; D618-Q620 PolarHBondContact OD1-N 3.49Å; D618-L621 HydrophobicContact CB-CB 4.2Å; D618-L621 PolarHBondContact O-N 3.44Å; D618-E622 PolarHBondContact O-N 2.76Å
619S72.4Confident72Confident66 Ų6674.1 Ų74.146%0.46241%0.406SS..Hα-helixtrans-51.4-30177.5177.50000112.7N617 Q623N617-S619 PolarHBondContact O-N 2.92Å; S619-Q623 VanDerWaalsContact O-CG 3.3Å; S619-Q623 WeakPolarHBondContact O-CG 3.47Å; S619-Q623 PolarHBondContact O-N 3.03Å; S619-Q623 VanDerWaalsContact O-N 3.08Å
620Q78.4Confident72.7Confident141 Ų14172.4 Ų72.466%0.65940%0.397SS*.Hα-helixtrans-69.8-44.9178.3-63.8-172.6-12.700111.9D618 E622 Q623 V624D618-Q620 PolarHBondContact O-N 2.93Å; D618-Q620 VanDerWaalsContact O-N 3.09Å; D618-Q620 PolarHBondContact OD1-N 3.49Å; Q620-E622 VanDerWaalsContact C-N 3.33Å; Q620-E622 PolarHBondContact O-N 3.32Å; Q620-Q623 PolarHBondContact O-N 3.49Å; Q620-V624 WeakPolarHBondContact O-CG2 3.45Å; Q620-V624 PolarHBondContact O-N 2.59Å
621L81.1Confident73.7Confident29 Ų2971.9 Ų71.915%0.15239%0.387CS..Hα-helixtrans-63.9-40.6178.1-177.661.3000111.1A605 I608 L609 D618 Q623 V624 L625A605-L621 HydrophobicContact CB-CD1 4.11Å; I608-L621 HydrophobicContact CG2-CD1 4.46Å; I608-L621 HydrophobicContact CG2-CD2 3.93Å; L609-L621 HydrophobicContact CD2-CD2 3.55Å; L609-L621 HydrophobicContact CD2-CG 4.42Å; L609-L621 HydrophobicContact CG-CD2 3.98Å; D618-L621 HydrophobicContact CB-CB 4.2Å; D618-L621 PolarHBondContact O-N 3.44Å; L621-Q623 PolarHBondContact O-N 3.17Å; L621-V624 PolarHBondContact O-N 3.16Å; L621-L625 HydrophobicContact CG-CD1 4.2Å; L621-L625 VanDerWaalsContact O-CG 3.3Å; L621-L625 WeakPolarHBondContact O-CG 3.38Å; L621-L625 PolarHBondContact O-N 2.87Å
622E77.9Confident75Confident86 Ų8667.9 Ų67.940%0.40236%0.359SS..Hα-helixtrans-61.5-43.1175.7-172.4178.5-172.700112.1D618 Q620 L625 R626D618-E622 PolarHBondContact O-N 2.76Å; Q620-E622 VanDerWaalsContact C-N 3.33Å; Q620-E622 PolarHBondContact O-N 3.32Å; E622-L625 PolarHBondContact O-N 2.74Å; E622-R626 VanDerWaalsContact O-CG 3.31Å; E622-R626 WeakPolarHBondContact O-CG 3.47Å; E622-R626 PolarHBondContact O-N 2.99Å; E622-R626 IonicContact OE1-CZ 2.8Å; E622-R626 VanDerWaalsContact OE1-CZ 3.31Å; E622-R626 IonicContact OE1-NE 3.56Å; E622-R626 PolarHBondContact OE1-NE 3.28Å; E622-R626 IonicContact OE1-NH2 3.48Å; E622-R626 PolarHBondContact OE1-NH2 2.74Å
623Q82Confident76.8Confident92 Ų9264.1 Ų64.143%0.4334%0.339SS..Hα-helixtrans-63.3-40.6175.7-75177.411.200112.3S619 Q620 L621 R626 L627S619-Q623 VanDerWaalsContact O-CG 3.3Å; S619-Q623 WeakPolarHBondContact O-CG 3.47Å; S619-Q623 PolarHBondContact O-N 3.03Å; S619-Q623 VanDerWaalsContact O-N 3.08Å; Q620-Q623 PolarHBondContact O-N 3.49Å; L621-Q623 PolarHBondContact O-N 3.17Å; Q623-R626 PolarHBondContact O-N 3.36Å; Q623-L627 WeakPolarHBondContact O-CB 3.4Å; Q623-L627 PolarHBondContact O-N 3.36Å
624V85.4Confident78.8Confident60 Ų6056.7 Ų56.736%0.36430%0.299SS..Hα-helixtrans-62.9-46.5176.2172.30000110.7Q620 L621 R626 L627 E628Q620-V624 WeakPolarHBondContact O-CG2 3.45Å; Q620-V624 PolarHBondContact O-N 2.59Å; L621-V624 PolarHBondContact O-N 3.16Å; V624-R626 PolarHBondContact O-N 3.35Å; V624-L627 PolarHBondContact O-N 2.91Å; V624-E628 HydrophobicContact CG1-CG 4.37Å; V624-E628 WeakPolarHBondContact O-CG 3.31Å; V624-E628 PolarHBondContact O-N 3.07Å
625L85.9Confident81.1Confident15 Ų1550.2 Ų50.28%0.07927%0.267CS..Hα-helixtrans-58.4-50.3177.1-71.1164000111.5L602 A605 F606 L609 L621 E622 L627 E628 E629L602-L625 HydrophobicContact CD1-CD2 4.08Å; A605-L625 HydrophobicContact CB-CD2 3.48Å; A605-L625 VanDerWaalsContact CB-CD2 3.48Å; A605-L625 HydrophobicContact CB-CG 4.16Å; F606-L625 HydrophobicContact CD1-CD2 3.75Å; F606-L625 HydrophobicContact CE1-CD2 3.71Å; L609-L625 HydrophobicContact CD1-CD1 3.66Å; L609-L625 HydrophobicContact CD1-CD2 4.37Å; L609-L625 HydrophobicContact CG-CD1 4.33Å; L621-L625 HydrophobicContact CG-CD1 4.2Å; L621-L625 VanDerWaalsContact O-CG 3.3Å; L621-L625 WeakPolarHBondContact O-CG 3.38Å; L621-L625 PolarHBondContact O-N 2.87Å; E622-L625 PolarHBondContact O-N 2.74Å; L625-L627 VanDerWaalsContact C-N 3.29Å; L625-L627 PolarHBondContact O-N 3.43Å; L625-E628 PolarHBondContact O-N 3.19Å; L625-E629 VanDerWaalsContact O-CB 3.29Å; L625-E629 WeakPolarHBondContact O-CB 3.13Å; L625-E629 WeakPolarHBondContact O-CG 3.47Å; L625-E629 PolarHBondContact O-N 3.42Å
626R85.4Confident83.3Confident46 Ų4645.5 Ų45.517%0.17423%0.234CC..Hα-helixtrans-58.3-42.7177.8-71.1176.3-175.4-170.70.7111.5E622 Q623 V624 H630E622-R626 VanDerWaalsContact O-CG 3.31Å; E622-R626 WeakPolarHBondContact O-CG 3.47Å; E622-R626 PolarHBondContact O-N 2.99Å; E622-R626 IonicContact OE1-CZ 2.8Å; E622-R626 VanDerWaalsContact OE1-CZ 3.31Å; E622-R626 IonicContact OE1-NE 3.56Å; E622-R626 PolarHBondContact OE1-NE 3.28Å; E622-R626 IonicContact OE1-NH2 3.48Å; E622-R626 PolarHBondContact OE1-NH2 2.74Å; Q623-R626 PolarHBondContact O-N 3.36Å; V624-R626 PolarHBondContact O-N 3.35Å; R626-H630 PolarHBondContact O-N 3.24Å; R626-H630 PolarHBondContact O-ND1 2.94Å
627L88.8Confident85.6Confident32 Ų3242 Ų4217%0.16821%0.213CC..Hα-helixtrans-63.6-50.8-180179.163000111.6I487 M491 Q623 V624 L625 H630 R631I487-L627 HydrophobicContact CB-CD1 4.44Å; I487-L627 HydrophobicContact CG2-CD1 3.8Å; M491-L627 HydrophobicContact CE-CD1 4.04Å; M491-L627 HydrophobicContact SD-CB 4.48Å; Q623-L627 WeakPolarHBondContact O-CB 3.4Å; Q623-L627 PolarHBondContact O-N 3.36Å; V624-L627 PolarHBondContact O-N 2.91Å; L625-L627 VanDerWaalsContact C-N 3.29Å; L625-L627 PolarHBondContact O-N 3.43Å; L627-H630 PolarHBondContact O-N 3.45Å; L627-R631 WeakPolarHBondContact O-CG 3.23Å; L627-R631 PolarHBondContact O-N 3.26Å
628E90.7Very high87.5Confident11 Ų1135.1 Ų35.15%0.05118%0.176CC..Hα-helixtrans-68.5-37.3-177.7-62.5-52.4150.200112.1Y598 L602 V624 L625 H630 R631 L632Y598-E628 WeakPolarHBondContact CA-OE2 3.43Å; Y598-E628 VanDerWaalsContact CB-OE2 3.26Å; Y598-E628 WeakPolarHBondContact CB-OE2 3.26Å; Y598-E628 WeakPolarHBondContact CD1-OE2 3.49Å; L602-E628 HydrophobicContact CB-CB 4.3Å; L602-E628 HydrophobicContact CD1-CB 4.3Å; V624-E628 HydrophobicContact CG1-CG 4.37Å; V624-E628 WeakPolarHBondContact O-CG 3.31Å; V624-E628 PolarHBondContact O-N 3.07Å; L625-E628 PolarHBondContact O-N 3.19Å; E628-H630 PolarHBondContact O-N 3.36Å; E628-R631 PolarHBondContact O-N 3.19Å; E628-R631 IonicContact OE1-NH1 3.21Å; E628-R631 PolarHBondContact OE1-NH1 3.47Å; E628-R631 IonicContact OE2-NH1 2.89Å; E628-L632 WeakPolarHBondContact O-CB 3.36Å; E628-L632 WeakPolarHBondContact O-CG 3.34Å; E628-L632 PolarHBondContact O-N 3.38Å
629E91.7Very high88.9Confident3 Ų330.9 Ų30.91%0.01415%0.153CC..Hα-helixtrans-59.9-43.9174.4-75168.8-175.800112L602 L625 A633 S696 M697 L700L602-E629 HydrophobicContact CD1-CG 4.13Å; L625-E629 VanDerWaalsContact O-CB 3.29Å; L625-E629 WeakPolarHBondContact O-CB 3.13Å; L625-E629 WeakPolarHBondContact O-CG 3.47Å; L625-E629 PolarHBondContact O-N 3.42Å; E629-A633 VanDerWaalsContact O-CB 3.32Å; E629-A633 WeakPolarHBondContact O-CB 3.37Å; E629-A633 PolarHBondContact O-N 3.02Å; E629-S696 WeakPolarHBondContact OE2-CB 3.47Å; E629-S696 PolarHBondContact OE2-OG 3.46Å; E629-M697 HydrophobicContact CG-CE 4.17Å; E629-M697 WeakPolarHBondContact OE1-CE 3.25Å; E629-M697 PolarHBondContact OE2-N 2.89Å; E629-M697 VanDerWaalsContact OE2-N 3.1Å; E629-L700 HydrophobicContact CB-CD2 4.37Å; E629-L700 HydrophobicContact CG-CD2 4.2Å
630H90.7Very high89.9Confident1 Ų127.9 Ų27.91%0.00513%0.133CC..Hα-helixtrans-69-38.9176.3-74.3101.4000112.6I487 Y490 R626 L627 E628 A633 W634 S696 R699I487-H630 HydrophobicContact CD1-CB 4.22Å; I487-H630 HydrophobicContact CG1-CB 4.33Å; I487-H630 HydrophobicContact CG2-CB 3.53Å; Y490-H630 AromaticContact CE2-CD2 3.86Å; R626-H630 PolarHBondContact O-N 3.24Å; R626-H630 PolarHBondContact O-ND1 2.94Å; L627-H630 PolarHBondContact O-N 3.45Å; E628-H630 PolarHBondContact O-N 3.36Å; H630-A633 PolarHBondContact O-N 3.03Å; H630-W634 PolarHBondContact O-N 2.89Å; H630-W634 VanDerWaalsContact O-N 3.1Å; H630-S696 WeakPolarHBondContact CE1-CB 3.47Å; H630-R699 PolarHBondContact NE2-NH1 3.24Å; H630-R699 VanDerWaalsContact NE2-NH1 3.1Å
631R94.6Very high90.5Very high56 Ų5621.5 Ų21.521%0.21110%0.104CC..Hα-helixtrans-60.8-48176.2-76.9173.9169171.7-6.1110.6L484 I487 Y598 L627 E628 A633 W634 L635L484-R631 HydrophobicContact CD2-CB 4.22Å; L484-R631 HydrophobicContact CD2-CG 4.23Å; I487-R631 HydrophobicContact CD1-CB 4.12Å; I487-R631 HydrophobicContact CD1-CG 3.46Å; I487-R631 VanDerWaalsContact CD1-CG 3.46Å; Y598-R631 HydrophobicContact CD2-CB 3.74Å; Y598-R631 HydrophobicContact CD2-CG 4.34Å; Y598-R631 HydrophobicContact CE2-CB 4.11Å; Y598-R631 HydrophobicContact CE2-CG 4.29Å; Y598-R631 HydrophobicContact CG-CB 4.18Å; L627-R631 WeakPolarHBondContact O-CG 3.23Å; L627-R631 PolarHBondContact O-N 3.26Å; E628-R631 PolarHBondContact O-N 3.19Å; E628-R631 IonicContact OE1-NH1 3.21Å; E628-R631 PolarHBondContact OE1-NH1 3.47Å; E628-R631 IonicContact OE2-NH1 2.89Å; R631-A633 VanDerWaalsContact C-N 3.35Å; R631-W634 PolarHBondContact O-N 3.08Å; R631-L635 WeakPolarHBondContact O-CG 3.33Å; R631-L635 PolarHBondContact O-N 2.96Å; R631-L635 VanDerWaalsContact O-N 3.08Å
632L95.8Very high91Very high0 Ų020.1 Ų20.10%010%0.096CC..Hα-helixtrans-66.7-36177.3-70.4165.9000111.7F595 A599 L602 E628 W634 L635 V636 L666 L700F595-L632 HydrophobicContact CD2-CD2 4.25Å; F595-L632 HydrophobicContact CE2-CD2 4.18Å; F595-L632 HydrophobicContact CG-CD2 4.48Å; F595-L632 HydrophobicContact CZ-CD2 4.33Å; A599-L632 HydrophobicContact CB-CD2 4.26Å; L602-L632 HydrophobicContact CB-CD1 3.95Å; L602-L632 HydrophobicContact CD2-CD1 3.49Å; L602-L632 VanDerWaalsContact CD2-CD1 3.49Å; L602-L632 HydrophobicContact CG-CD1 4.29Å; E628-L632 WeakPolarHBondContact O-CB 3.36Å; E628-L632 WeakPolarHBondContact O-CG 3.34Å; E628-L632 PolarHBondContact O-N 3.38Å; L632-W634 PolarHBondContact O-N 3.1Å; L632-L635 PolarHBondContact O-N 3Å; L632-V636 WeakPolarHBondContact O-CB 3.11Å; L632-V636 WeakPolarHBondContact O-CG2 3.26Å; L632-V636 PolarHBondContact O-N 3.46Å; L632-L666 HydrophobicContact CB-CD2 4.16Å; L632-L666 HydrophobicContact CD1-CD1 4Å; L632-L666 HydrophobicContact CD1-CD2 4.43Å; L632-L666 HydrophobicContact CD2-CD2 4.19Å; L632-L666 HydrophobicContact CG-CD2 4.5Å; L632-L700 HydrophobicContact CB-CD1 3.86Å
633A94Very high91.5Very high0 Ų016 Ų160%08%0.077CC..Hα-helixtrans-58.6-48175.300000111.3L563 E629 H630 R631 V636 Y637 L700 A703L563-A633 HydrophobicContact CD1-CB 4.04Å; E629-A633 VanDerWaalsContact O-CB 3.32Å; E629-A633 WeakPolarHBondContact O-CB 3.37Å; E629-A633 PolarHBondContact O-N 3.02Å; H630-A633 PolarHBondContact O-N 3.03Å; R631-A633 VanDerWaalsContact C-N 3.35Å; A633-V636 PolarHBondContact O-N 3.5Å; A633-Y637 WeakPolarHBondContact O-CD2 3.31Å; A633-Y637 PolarHBondContact O-N 2.92Å; A633-L700 HydrophobicContact CB-CB 4.28Å; A633-L700 HydrophobicContact CB-CD1 4.23Å; A633-A703 HydrophobicContact CB-CB 4.25Å; A633-A703 WeakPolarHBondContact O-CB 3.43Å
634W94.6Very high91.7Very high2 Ų213.1 Ų13.11%0.0087%0.067CC..Hα-helixtrans-58.6-48174.2-89.9108.1000112.5R483 L484 Y490 L562 L563 L569 H630 R631 L632 V636 Y637 M638R483-W634 HydrophobicContact CB-CD2 4.08Å; R483-W634 HydrophobicContact CB-CE3 4.15Å; R483-W634 HydrophobicContact CB-CZ2 4.45Å; R483-W634 HydrophobicContact CB-CZ3 4.37Å; R483-W634 HydrophobicContact CG-CE3 4.32Å; R483-W634 HydrophobicContact CG-CH2 4.17Å; R483-W634 HydrophobicContact CG-CZ2 4.49Å; R483-W634 HydrophobicContact CG-CZ3 4.07Å; L484-W634 HydrophobicContact CD2-CB 4.19Å; Y490-W634 PolarHBondContact OH-NE1 3.32Å; L562-W634 HydrophobicContact CB-CZ2 3.99Å; L563-W634 HydrophobicContact CD2-CD2 3.8Å; L563-W634 VanDerWaalsContact CD2-CE2 3.5Å; L563-W634 HydrophobicContact CD2-CE3 4.26Å; L563-W634 HydrophobicContact CD2-CG 4.23Å; L563-W634 HydrophobicContact CD2-CH2 4.2Å; L563-W634 HydrophobicContact CD2-CZ2 3.73Å; L563-W634 HydrophobicContact CD2-CZ3 4.45Å; L563-W634 HydrophobicContact CG-CZ2 4.23Å; L569-W634 HydrophobicContact CD1-CE3 4.42Å; L569-W634 HydrophobicContact CD1-CH2 3.57Å; L569-W634 HydrophobicContact CD1-CZ2 4.5Å; L569-W634 HydrophobicContact CD1-CZ3 3.53Å; H630-W634 PolarHBondContact O-N 2.89Å; H630-W634 VanDerWaalsContact O-N 3.1Å; R631-W634 PolarHBondContact O-N 3.08Å; L632-W634 PolarHBondContact O-N 3.1Å; W634-V636 PolarHBondContact O-N 2.94Å; W634-Y637 PolarHBondContact O-N 3.05Å; W634-M638 HydrophobicContact CB-CE 4.42Å; W634-M638 HydrophobicContact CE3-CE 3.87Å; W634-M638 WeakPolarHBondContact O-CB 3.41Å; W634-M638 VanDerWaalsContact O-CG 3.27Å; W634-M638 WeakPolarHBondContact O-CG 3.49Å; W634-M638 PolarHBondContact O-N 2.95Å
635L96.1Very high91.4Very high0 Ų010.6 Ų10.60%05%0.053CC..Hα-helixtrans-63.9-40.3179.9-67.7-178.9000112.1L484 I591 L594 F595 Y598 R631 L632 M638 V639L484-L635 HydrophobicContact CD1-CD2 4.42Å; L484-L635 HydrophobicContact CD2-CG 4.47Å; I591-L635 HydrophobicContact CG2-CD2 4.5Å; L594-L635 HydrophobicContact CB-CD1 4.16Å; F595-L635 HydrophobicContact CB-CD1 4.06Å; F595-L635 HydrophobicContact CD2-CB 4.01Å; F595-L635 HydrophobicContact CD2-CD1 4.2Å; Y598-L635 HydrophobicContact CD2-CD1 3.67Å; Y598-L635 HydrophobicContact CE2-CD1 4.13Å; R631-L635 WeakPolarHBondContact O-CG 3.33Å; R631-L635 PolarHBondContact O-N 2.96Å; R631-L635 VanDerWaalsContact O-N 3.08Å; L632-L635 PolarHBondContact O-N 3Å; L635-M638 HydrophobicContact CD2-SD 4.3Å; L635-M638 PolarHBondContact O-N 2.9Å; L635-V639 WeakPolarHBondContact O-CG2 3.15Å; L635-V639 PolarHBondContact O-N 3.48Å
636V96.6Very high91Very high0 Ų012 Ų120%06%0.057CC..Hα-helixtrans-64-42.5176.8173.20000111F595 L632 A633 W634 V639 G640 V663 L666 L700 A703 V704 F707F595-V636 HydrophobicContact CE2-CG2 4.08Å; L632-V636 WeakPolarHBondContact O-CB 3.11Å; L632-V636 WeakPolarHBondContact O-CG2 3.26Å; L632-V636 PolarHBondContact O-N 3.46Å; A633-V636 PolarHBondContact O-N 3.5Å; W634-V636 PolarHBondContact O-N 2.94Å; V636-V639 PolarHBondContact O-N 3.39Å; V636-G640 PolarHBondContact O-N 2.89Å; V636-V663 HydrophobicContact CG1-CG1 3.97Å; V636-V663 HydrophobicContact CG2-CG1 4.21Å; V636-V663 HydrophobicContact CG2-CG2 4.32Å; V636-L666 HydrophobicContact CG2-CD2 3.8Å; V636-L700 HydrophobicContact CG2-CD1 4.4Å; V636-A703 HydrophobicContact CB-CB 3.97Å; V636-A703 VanDerWaalsContact CG1-C 3.42Å; V636-A703 HydrophobicContact CG1-CB 3.88Å; V636-A703 VanDerWaalsContact CG1-O 3.31Å; V636-A703 WeakPolarHBondContact CG1-O 3.33Å; V636-V704 HydrophobicContact CG1-CG2 4.27Å; V636-F707 HydrophobicContact CG1-CB 3.75Å; V636-F707 HydrophobicContact CG1-CG 4.49Å
637Y95.3Very high90Very high8 Ų813.3 Ų13.33%0.0317%0.07CC..Hα-helixtrans-60.3-46.6172.8-81.6-52.2000112.1L563 W566 L569 L573 A633 W634 V639 G640 A641 A703 S706L563-Y637 HydrophobicContact CD2-CD2 3.78Å; L563-Y637 HydrophobicContact CD2-CE2 3.8Å; W566-Y637 HydrophobicContact CE3-CE1 4.43Å; W566-Y637 HydrophobicContact CH2-CE1 4.31Å; W566-Y637 HydrophobicContact CZ3-CD1 4.22Å; W566-Y637 AromaticContact CZ3-CE1 3.51Å; W566-Y637 HydrophobicContact CZ3-CE1 3.51Å; L569-Y637 HydrophobicContact CD2-CD1 4.49Å; L569-Y637 HydrophobicContact CD2-CD2 4.14Å; L569-Y637 HydrophobicContact CD2-CE1 4.3Å; L569-Y637 HydrophobicContact CD2-CE2 3.92Å; L569-Y637 HydrophobicContact CD2-CG 4.43Å; L573-Y637 HydrophobicContact CD1-CD1 4.01Å; L573-Y637 HydrophobicContact CD1-CG 4.06Å; A633-Y637 WeakPolarHBondContact O-CD2 3.31Å; A633-Y637 PolarHBondContact O-N 2.92Å; W634-Y637 PolarHBondContact O-N 3.05Å; Y637-V639 PolarHBondContact O-N 2.98Å; Y637-G640 PolarHBondContact O-N 2.8Å; Y637-A641 WeakPolarHBondContact O-CB 3.41Å; Y637-A641 PolarHBondContact O-N 3.35Å; Y637-A703 HydrophobicContact CD1-CB 4.08Å; Y637-A703 HydrophobicContact CD2-CB 3.68Å; Y637-A703 VanDerWaalsContact CE1-CA 3.46Å; Y637-A703 HydrophobicContact CE1-CB 3.89Å; Y637-A703 HydrophobicContact CE2-CB 3.51Å; Y637-A703 HydrophobicContact CG-CB 3.96Å; Y637-A703 VanDerWaalsContact CZ-CA 3.47Å; Y637-A703 PolarHBondContact OH-N 2.87Å; Y637-S706 WeakPolarHBondContact CE1-OG 3.17Å
638M94.4Very high88.7Confident0 Ų016 Ų160%09%0.085CC..Hα-helixtrans-60.8-42.1176.7-72.2175-168.900111.9Y479 I480 R483 L573 F576 W634 L635 A641 L642Y479-M638 HydrophobicContact CD1-CE 4.19Å; Y479-M638 HydrophobicContact CE1-CE 4.02Å; I480-M638 HydrophobicContact CG1-CE 4.46Å; I480-M638 HydrophobicContact CG1-SD 3.9Å; R483-M638 HydrophobicContact CB-CE 3.93Å; R483-M638 HydrophobicContact CG-CE 4.27Å; L573-M638 HydrophobicContact CD2-CG 4.41Å; F576-M638 HydrophobicContact CD1-CB 4.38Å; F576-M638 HydrophobicContact CD1-CG 4.31Å; F576-M638 HydrophobicContact CE1-CB 3.63Å; F576-M638 HydrophobicContact CE1-CG 3.77Å; F576-M638 HydrophobicContact CZ-CB 4.09Å; F576-M638 HydrophobicContact CZ-CG 3.95Å; F576-M638 HydrophobicContact CZ-SD 4.09Å; W634-M638 HydrophobicContact CB-CE 4.42Å; W634-M638 HydrophobicContact CE3-CE 3.87Å; W634-M638 WeakPolarHBondContact O-CB 3.41Å; W634-M638 VanDerWaalsContact O-CG 3.27Å; W634-M638 WeakPolarHBondContact O-CG 3.49Å; W634-M638 PolarHBondContact O-N 2.95Å; L635-M638 HydrophobicContact CD2-SD 4.3Å; L635-M638 PolarHBondContact O-N 2.9Å; M638-A641 WeakPolarHBondContact O-CB 3.42Å; M638-A641 PolarHBondContact O-N 3.16Å; M638-L642 VanDerWaalsContact O-CG 3.27Å; M638-L642 WeakPolarHBondContact O-CG 3.24Å; M638-L642 PolarHBondContact O-N 3.41Å
639V94.7Very high87Confident1 Ų125.9 Ų25.91%0.00612%0.123CC..Hα-helixtrans-62.9-47175.1169.20000111I591 L635 V636 Y637 A641 L642 I643 L659 V663 F707I591-V639 HydrophobicContact CG2-CG2 3.89Å; L635-V639 WeakPolarHBondContact O-CG2 3.15Å; L635-V639 PolarHBondContact O-N 3.48Å; V636-V639 PolarHBondContact O-N 3.39Å; Y637-V639 PolarHBondContact O-N 2.98Å; V639-A641 VanDerWaalsContact C-N 3.28Å; V639-A641 PolarHBondContact O-N 3.03Å; V639-L642 PolarHBondContact O-N 2.92Å; V639-I643 HydrophobicContact CG1-CD1 3.87Å; V639-I643 HydrophobicContact CG1-CG1 4.49Å; V639-I643 WeakPolarHBondContact O-CG1 3.33Å; V639-I643 PolarHBondContact O-N 3.29Å; V639-L659 HydrophobicContact CG1-CB 3.7Å; V639-L659 HydrophobicContact CG1-CD1 4.43Å; V639-L659 HydrophobicContact CG2-CB 4.2Å; V639-L659 HydrophobicContact CG2-CD1 4.35Å; V639-L659 HydrophobicContact CG2-CD2 4.09Å; V639-L659 HydrophobicContact CG2-CG 4.46Å; V639-V663 HydrophobicContact CB-CG2 4.19Å; V639-V663 HydrophobicContact CG1-CG2 3.9Å; V639-V663 HydrophobicContact CG2-CG2 4.41Å; V639-F707 HydrophobicContact CG1-CD2 3.94Å; V639-F707 HydrophobicContact CG1-CE2 3.77Å
640G93.1Very high85.1Confident3 Ų329.1 Ų29.13%0.03115%0.151CC..Hα-helixtrans-56.1-44.6176.700000112V636 Y637 I643 S644 Q710V636-G640 PolarHBondContact O-N 2.89Å; Y637-G640 PolarHBondContact O-N 2.8Å; G640-I643 PolarHBondContact O-N 3.46Å; G640-S644 PolarHBondContact O-N 2.77Å; G640-S644 VanDerWaalsContact O-N 3.1Å; G640-S644 PolarHBondContact O-OG 2.96Å; G640-Q710 WeakPolarHBondContact O-CB 3.49Å
641A92Very high83.7Confident6 Ų636.5 Ų36.55%0.0519%0.19CC..Hα-helixtrans-62.8-43.8176.600000113.7L573 F576 G577 Y637 M638 V639 I643 S644 G645L573-A641 HydrophobicContact CB-CB 3.91Å; L573-A641 HydrophobicContact CD2-CB 4.03Å; L573-A641 HydrophobicContact CG-CB 4.49Å; L573-A641 WeakPolarHBondContact O-CB 3.34Å; F576-A641 HydrophobicContact CD1-CB 4.36Å; G577-A641 WeakPolarHBondContact CA-O 3.24Å; Y637-A641 WeakPolarHBondContact O-CB 3.41Å; Y637-A641 PolarHBondContact O-N 3.35Å; M638-A641 WeakPolarHBondContact O-CB 3.42Å; M638-A641 PolarHBondContact O-N 3.16Å; V639-A641 VanDerWaalsContact C-N 3.28Å; V639-A641 PolarHBondContact O-N 3.03Å; A641-I643 VanDerWaalsContact C-N 3.32Å; A641-I643 PolarHBondContact O-N 2.86Å; A641-S644 WeakPolarHBondContact CA-OG 3.42Å; A641-S644 PolarHBondContact O-N 2.85Å; A641-S644 PolarHBondContact O-OG 3.45Å; A641-G645 PolarHBondContact O-N 2.85Å
642L91.2Very high82.8Confident0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-64.1-37.6177.1-73.2169.4000112F576 R581 Y584 T587 I591 M638 V639 L659F576-L642 HydrophobicContact CD1-CD2 4.5Å; F576-L642 HydrophobicContact CD1-CG 4.46Å; F576-L642 HydrophobicContact CE1-CD1 4.11Å; F576-L642 HydrophobicContact CE1-CD2 4.05Å; F576-L642 HydrophobicContact CE1-CG 3.86Å; R581-L642 VanDerWaalsContact CZ-O 3.22Å; R581-L642 PolarHBondContact NE-O 2.75Å; R581-L642 PolarHBondContact NH2-O 3.29Å; Y584-L642 HydrophobicContact CE2-CB 4.11Å; Y584-L642 HydrophobicContact CE2-CD1 4.38Å; Y584-L642 HydrophobicContact CE2-CD2 4.16Å; Y584-L642 HydrophobicContact CE2-CG 4.45Å; T587-L642 HydrophobicContact CG2-CD1 4.21Å; T587-L642 HydrophobicContact CG2-CD2 4.34Å; I591-L642 HydrophobicContact CD1-CD1 3.24Å; M638-L642 VanDerWaalsContact O-CG 3.27Å; M638-L642 WeakPolarHBondContact O-CG 3.24Å; M638-L642 PolarHBondContact O-N 3.41Å; V639-L642 PolarHBondContact O-N 2.92Å; L642-L659 HydrophobicContact CD1-CD1 4.31Å
643I89Confident82Confident0 Ų036.1 Ų36.10%020%0.195CC..Hα-helixtrans-66-43.9176.3-68.8169.7000110.3R581 V639 G640 A641 R646 F707 L711 V714 Y715R581-I643 PolarHBondContact NH2-O 3.22Å; V639-I643 HydrophobicContact CG1-CD1 3.87Å; V639-I643 HydrophobicContact CG1-CG1 4.49Å; V639-I643 WeakPolarHBondContact O-CG1 3.33Å; V639-I643 PolarHBondContact O-N 3.29Å; G640-I643 PolarHBondContact O-N 3.46Å; A641-I643 VanDerWaalsContact C-N 3.32Å; A641-I643 PolarHBondContact O-N 2.86Å; I643-R646 VanDerWaalsContact O-CG 3.27Å; I643-R646 WeakPolarHBondContact O-CG 3.49Å; I643-R646 PolarHBondContact O-NE 2.92Å; I643-F707 HydrophobicContact CD1-CD2 4.22Å; I643-F707 HydrophobicContact CD1-CE2 3.52Å; I643-F707 HydrophobicContact CD1-CZ 4.39Å; I643-L711 HydrophobicContact CD1-CD1 4.11Å; I643-L711 HydrophobicContact CG2-CD1 4.43Å; I643-V714 HydrophobicContact CG2-CB 4.23Å; I643-V714 HydrophobicContact CG2-CG2 4.16Å; I643-Y715 HydrophobicContact CG2-CD2 4.39Å; I643-Y715 HydrophobicContact CG2-CE2 4.29Å
644S85.1Confident81.6Confident32 Ų3241.2 Ų41.222%0.22422%0.219CC..Hα-helixtrans-74.7-29.2-178.661.80000114.3G640 A641 R646G640-S644 PolarHBondContact O-N 2.77Å; G640-S644 VanDerWaalsContact O-N 3.1Å; G640-S644 PolarHBondContact O-OG 2.96Å; A641-S644 WeakPolarHBondContact CA-OG 3.42Å; A641-S644 PolarHBondContact O-N 2.85Å; A641-S644 PolarHBondContact O-OG 3.45Å; S644-R646 PolarHBondContact O-N 3.26Å
645G80.3Confident81.2Confident6 Ų642.7 Ų42.76%0.06223%0.229CC..  trans-69.320.3-174.300000116.6R581 A641 V647R581-G645 VanDerWaalsContact CD-O 3.3Å; R581-G645 WeakPolarHBondContact CD-O 3.43Å; A641-G645 PolarHBondContact O-N 2.85Å; G645-V647 PolarHBondContact O-N 3.24Å
646R75.9Confident80.9Confident46 Ų4642.7 Ų42.717%0.17423%0.229CC..  trans-69.5117-178.2-38.2-144166.7169.64.1110.6R581 I643 S644 D653 D656 Y715R581-R646 VanDerWaalsContact NH1-CG 3.29Å; I643-R646 VanDerWaalsContact O-CG 3.27Å; I643-R646 WeakPolarHBondContact O-CG 3.49Å; I643-R646 PolarHBondContact O-NE 2.92Å; S644-R646 PolarHBondContact O-N 3.26Å; R646-D653 IonicContact CZ-OD1 3.8Å; R646-D653 IonicContact NH1-OD1 2.81Å; R646-D653 PolarHBondContact NH1-OD1 3.37Å; R646-D656 IonicContact CZ-OD2 2.74Å; R646-D656 IonicContact NE-OD2 2.94Å; R646-D656 IonicContact NH1-OD2 3.66Å; R646-D656 IonicContact NH2-OD1 2.98Å; R646-D656 PolarHBondContact NH2-OD1 3.39Å; R646-D656 IonicContact NH2-OD2 3.22Å; R646-D656 PolarHBondContact NH2-OD2 3.07Å; R646-Y715 VanDerWaalsContact CZ-OH 3.29Å; R646-Y715 PolarHBondContact NH1-OH 3.48Å; R646-Y715 VanDerWaalsContact NH1-OH 3.11Å; R646-Y715 PolarHBondContact NH2-OH 3.18Å
647V66.4Low80.6Confident72 Ų7242.7 Ų42.744%0.43623%0.229SC..SBendtrans-84.3-37.1167.2-173.70000110.8T578 G645T578-V647 HydrophobicContact CG2-CG2 4.05Å; G645-V647 PolarHBondContact O-N 3.24Å
648N60.3Low80.3Confident90 Ų9044.7 Ų44.748%0.48124%0.238SC..SBendtrans-127.9144.6-179.8-74.6-17.9000111.9A650N648-A650 VanDerWaalsContact C-N 3.27Å; N648-A650 PolarHBondContact O-N 2.8Å
649Y54.7Low80.3Confident217 Ų21744.8 Ų44.885%0.85124%0.239SC*.  trans-77.13.1-176.9-71.1-82.5000115.3
650A53.4Low80.2Confident72 Ų7244.8 Ų44.860%0.59524%0.239SC*.SBendtrans-89.1126.1-171.500000113.5N648 A652N648-A650 VanDerWaalsContact C-N 3.27Å; N648-A650 PolarHBondContact O-N 2.8Å; A650-A652 PolarHBondContact O-N 3.49Å
651N61.1Low80.2Confident156 Ų15644.7 Ų44.783%0.83424%0.238SC*.SBendtrans64.218.2151.7-61.3-10.9000120.8
652A74Confident80.3Confident18 Ų1846 Ų4615%0.14924%0.241CC..  trans-103.51177.400000115.4Y584 A650 E654 C655 D656Y584-A652 HydrophobicContact CD1-CB 3.76Å; Y584-A652 HydrophobicContact CE1-CB 3.95Å; A650-A652 PolarHBondContact O-N 3.49Å; A652-E654 VanDerWaalsContact C-N 3.32Å; A652-E654 PolarHBondContact O-N 3.15Å; A652-C655 PolarHBondContact O-N 3.27Å; A652-D656 PolarHBondContact O-N 2.93Å; A652-D656 VanDerWaalsContact O-OD2 3.11Å
653D80.8Confident80.6Confident30 Ų3046 Ų4616%0.1624%0.241CC..Hα-helixtrans-61.7-30.4-168.3-80.9-18.2000115.5R646 G657 Y715 K725 F726R646-D653 IonicContact CZ-OD1 3.8Å; R646-D653 IonicContact NH1-OD1 2.81Å; R646-D653 PolarHBondContact NH1-OD1 3.37Å; D653-G657 PolarHBondContact O-N 3.12Å; D653-Y715 PolarHBondContact OD1-OH 2.96Å; D653-K725 HydrophobicContact CB-CB 3.96Å; D653-F726 HydrophobicContact CB-CB 3.97Å; D653-F726 WeakPolarHBondContact O-CA 3.47Å
654E84.6Confident80.8Confident107 Ų10746 Ų4650%0.524%0.242SC..Hα-helixtrans-67.2-46.3179.1-69.2172-161.200111.4A652 G657 E658 K725A652-E654 VanDerWaalsContact C-N 3.32Å; A652-E654 PolarHBondContact O-N 3.15Å; E654-G657 PolarHBondContact O-N 3.49Å; E654-E658 WeakPolarHBondContact O-CB 3.49Å; E654-E658 PolarHBondContact O-N 3.29Å; E654-K725 HydrophobicContact CG-CB 3.8Å; E654-K725 HydrophobicContact CG-CD 4.09Å; E654-K725 HydrophobicContact CG-CG 4.45Å; E654-K725 VanDerWaalsContact OE1-CD 3.29Å; E654-K725 WeakPolarHBondContact OE1-CD 3.32Å; E654-K725 WeakPolarHBondContact OE1-CE 3.3Å; E654-K725 IonicContact OE1-NZ 2.68Å; E654-K725 PolarHBondContact OE1-NZ 3.48Å
655C86.5Confident81.3Confident33 Ų3349 Ų4922%0.22325%0.252CS..Hα-helixtrans-64.3-41.8176.8-68.40000111.7Y584 C588 A652 G657 E658 L659Y584-C655 HydrophobicContact CD1-CB 3.72Å; Y584-C655 HydrophobicContact CE1-CB 3.41Å; Y584-C655 VanDerWaalsContact CE1-CB 3.41Å; C588-C655 HydrophobicContact CB-CB 4.33Å; A652-C655 PolarHBondContact O-N 3.27Å; C655-G657 VanDerWaalsContact C-N 3.34Å; C655-G657 PolarHBondContact O-N 3.43Å; C655-E658 PolarHBondContact O-N 3.11Å; C655-L659 WeakPolarHBondContact O-CG 3.5Å; C655-L659 PolarHBondContact O-N 3.46Å
656D89.3Confident82Confident0 Ų048.9 Ų48.90%025%0.25CS..Hα-helixtrans-62.9-41.2175.9-72.7-57000111.6R581 Y584 R646 A652 E658 A660 Y715 F726R581-D656 IonicContact CZ-OD2 2.88Å; R581-D656 IonicContact NH1-OD2 2.74Å; R581-D656 IonicContact NH2-OD1 3.65Å; R581-D656 PolarHBondContact NH2-OD1 3.44Å; R581-D656 IonicContact NH2-OD2 2.76Å; R581-D656 PolarHBondContact NH2-OD2 3.46Å; Y584-D656 PolarHBondContact OH-OD1 2.95Å; R646-D656 IonicContact CZ-OD2 2.74Å; R646-D656 IonicContact NE-OD2 2.94Å; R646-D656 IonicContact NH1-OD2 3.66Å; R646-D656 IonicContact NH2-OD1 2.98Å; R646-D656 PolarHBondContact NH2-OD1 3.39Å; R646-D656 IonicContact NH2-OD2 3.22Å; R646-D656 PolarHBondContact NH2-OD2 3.07Å; A652-D656 PolarHBondContact O-N 2.93Å; A652-D656 VanDerWaalsContact O-OD2 3.11Å; D656-E658 VanDerWaalsContact C-N 3.32Å; D656-E658 PolarHBondContact O-N 3.31Å; D656-A660 VanDerWaalsContact O-CB 3.26Å; D656-A660 WeakPolarHBondContact O-CB 3.28Å; D656-A660 PolarHBondContact O-N 3.09Å; D656-Y715 HydrophobicContact CB-CE2 4.13Å; D656-Y715 WeakPolarHBondContact CB-OH 3.41Å; D656-F726 HydrophobicContact CB-CD2 4.24Å
657G89.7Confident82.8Confident0 Ų047.1 Ų47.10%024%0.244CC..Hα-helixtrans-62.6-40.9174.600000111.8D653 E654 C655 A660 C661D653-G657 PolarHBondContact O-N 3.12Å; E654-G657 PolarHBondContact O-N 3.49Å; C655-G657 VanDerWaalsContact C-N 3.34Å; C655-G657 PolarHBondContact O-N 3.43Å; G657-A660 PolarHBondContact O-N 3.4Å; G657-C661 PolarHBondContact O-N 3.23Å; G657-C661 PolarHBondContact O-SG 3.46Å
658E90.9Very high84.1Confident49 Ų4948.7 Ų48.723%0.22924%0.242CC..Hα-helixtrans-65.1-44.3179175.7154-141.700113.5V592 E654 C655 D656 R662 K733V592-E658 HydrophobicContact CG2-CG 4.18Å; E654-E658 WeakPolarHBondContact O-CB 3.49Å; E654-E658 PolarHBondContact O-N 3.29Å; C655-E658 PolarHBondContact O-N 3.11Å; D656-E658 VanDerWaalsContact C-N 3.32Å; D656-E658 PolarHBondContact O-N 3.31Å; E658-R662 IonicContact OE1-CZ 3.81Å; E658-R662 IonicContact OE1-NH1 3.87Å; E658-R662 PolarHBondContact OE1-NH1 2.92Å; E658-R662 IonicContact OE1-NH2 3.96Å; E658-K733 VanDerWaalsContact CD-NZ 3.3Å; E658-K733 IonicContact OE1-NZ 3.67Å; E658-K733 PolarHBondContact OE1-NZ 3.43Å
659L93.1Very high85.5Confident3 Ų346 Ų462%0.01623%0.228CC..Hα-helixtrans-67.6-41.9175.6-67.1176.5000111.2I591 V592 V639 L642 C655 C661 R662 V663I591-L659 HydrophobicContact CB-CD2 4.34Å; I591-L659 HydrophobicContact CG2-CD2 3.88Å; V592-L659 HydrophobicContact CG2-CD2 3.85Å; V639-L659 HydrophobicContact CG1-CB 3.7Å; V639-L659 HydrophobicContact CG1-CD1 4.43Å; V639-L659 HydrophobicContact CG2-CB 4.2Å; V639-L659 HydrophobicContact CG2-CD1 4.35Å; V639-L659 HydrophobicContact CG2-CD2 4.09Å; V639-L659 HydrophobicContact CG2-CG 4.46Å; L642-L659 HydrophobicContact CD1-CD1 4.31Å; C655-L659 WeakPolarHBondContact O-CG 3.5Å; C655-L659 PolarHBondContact O-N 3.46Å; L659-C661 VanDerWaalsContact C-N 3.32Å; L659-C661 PolarHBondContact O-N 3.07Å; L659-R662 PolarHBondContact O-N 2.7Å; L659-V663 PolarHBondContact O-N 2.87Å
660A92.8Very high87.2Confident0 Ų035.7 Ų35.70%019%0.187CC..Hα-helixtrans-61.9-39.3177.900000112.2D656 G657 R662 V663 I664 F707 L711 F726D656-A660 VanDerWaalsContact O-CB 3.26Å; D656-A660 WeakPolarHBondContact O-CB 3.28Å; D656-A660 PolarHBondContact O-N 3.09Å; G657-A660 PolarHBondContact O-N 3.4Å; A660-R662 VanDerWaalsContact C-N 3.28Å; A660-R662 PolarHBondContact O-N 3.49Å; A660-V663 PolarHBondContact O-N 3.03Å; A660-I664 WeakPolarHBondContact O-CB 3.29Å; A660-I664 VanDerWaalsContact O-CG1 3.24Å; A660-I664 WeakPolarHBondContact O-CG1 3.45Å; A660-I664 PolarHBondContact O-N 3.31Å; A660-F707 HydrophobicContact CB-CE2 4.45Å; A660-F707 HydrophobicContact CB-CZ 3.98Å; A660-L711 HydrophobicContact CB-CD1 4.25Å; A660-F726 HydrophobicContact CB-CE2 3.86Å; A660-F726 HydrophobicContact CB-CZ 4.16Å
661C94Very high88.9Confident2 Ų232.9 Ų32.91%0.01416%0.163CC..Hα-helixtrans-54.1-46.3176.1-74.30000112G657 L659 I664 Q665 L730 K733 L734G657-C661 PolarHBondContact O-N 3.23Å; G657-C661 PolarHBondContact O-SG 3.46Å; L659-C661 VanDerWaalsContact C-N 3.32Å; L659-C661 PolarHBondContact O-N 3.07Å; C661-I664 PolarHBondContact O-N 2.64Å; C661-Q665 WeakPolarHBondContact O-CG 3.49Å; C661-Q665 PolarHBondContact O-N 3.47Å; C661-L730 VanDerWaalsContact SG-CD2 3.57Å; C661-K733 HydrophobicContact CB-CB 4.5Å; C661-K733 HydrophobicContact CB-CD 4.21Å; C661-L734 HydrophobicContact CB-CD1 4.1Å; C661-L734 HydrophobicContact CB-CG 4.37Å
662R94.2Very high90.1Very high32 Ų3230.3 Ų30.312%0.12115%0.149CC..Hα-helixtrans-66.4-44.5-177.4-77.8175.4168.4832112.5F595 D596 E658 L659 A660 I664 Q665 L666F595-R662 HydrophobicContact CD1-CB 3.74Å; F595-R662 HydrophobicContact CD1-CG 4.23Å; F595-R662 HydrophobicContact CE1-CB 3.6Å; F595-R662 HydrophobicContact CE1-CG 4.44Å; F595-R662 WeakPolarHBondContact CE1-O 3.45Å; F595-R662 HydrophobicContact CG-CB 4.38Å; F595-R662 HydrophobicContact CZ-CB 4.11Å; D596-R662 VanDerWaalsContact CG-NE 3.33Å; D596-R662 WeakPolarHBondContact OD1-CD 3.46Å; D596-R662 IonicContact OD1-CZ 2.79Å; D596-R662 IonicContact OD1-NE 2.77Å; D596-R662 PolarHBondContact OD1-NE 2.68Å; D596-R662 IonicContact OD1-NH2 3.82Å; D596-R662 IonicContact OD2-CZ 2.78Å; D596-R662 IonicContact OD2-NE 2.62Å; D596-R662 PolarHBondContact OD2-NE 3.26Å; D596-R662 IonicContact OD2-NH2 2.82Å; D596-R662 PolarHBondContact OD2-NH2 3.3Å; E658-R662 IonicContact OE1-CZ 3.81Å; E658-R662 IonicContact OE1-NH1 3.87Å; E658-R662 PolarHBondContact OE1-NH1 2.92Å; E658-R662 IonicContact OE1-NH2 3.96Å; L659-R662 PolarHBondContact O-N 2.7Å; A660-R662 VanDerWaalsContact C-N 3.28Å; A660-R662 PolarHBondContact O-N 3.49Å; R662-I664 VanDerWaalsContact C-N 3.31Å; R662-I664 PolarHBondContact O-N 2.91Å; R662-Q665 PolarHBondContact O-N 3.42Å; R662-L666 WeakPolarHBondContact O-CB 3.47Å; R662-L666 PolarHBondContact O-N 3.42Å
663V95.6Very high90.6Very high0 Ų030 Ų300%014%0.144CC..Hα-helixtrans-64.5-37.8175.8-1780000111.3F595 V636 V639 L659 A660 L666 N667 F707F595-V663 HydrophobicContact CE2-CG2 4.11Å; F595-V663 HydrophobicContact CZ-CG2 4.34Å; V636-V663 HydrophobicContact CG1-CG1 3.97Å; V636-V663 HydrophobicContact CG2-CG1 4.21Å; V636-V663 HydrophobicContact CG2-CG2 4.32Å; V639-V663 HydrophobicContact CB-CG2 4.19Å; V639-V663 HydrophobicContact CG1-CG2 3.9Å; V639-V663 HydrophobicContact CG2-CG2 4.41Å; L659-V663 PolarHBondContact O-N 2.87Å; A660-V663 PolarHBondContact O-N 3.03Å; V663-L666 PolarHBondContact O-N 3.05Å; V663-N667 WeakPolarHBondContact O-CB 3.47Å; V663-N667 PolarHBondContact O-N 2.95Å; V663-F707 HydrophobicContact CB-CD1 4.17Å; V663-F707 HydrophobicContact CB-CD2 4.25Å; V663-F707 HydrophobicContact CB-CE1 3.92Å; V663-F707 HydrophobicContact CB-CE2 3.99Å; V663-F707 HydrophobicContact CB-CG 4.33Å; V663-F707 HydrophobicContact CB-CZ 3.84Å; V663-F707 HydrophobicContact CG1-CB 4.27Å; V663-F707 HydrophobicContact CG1-CD1 3.41Å; V663-F707 VanDerWaalsContact CG1-CD1 3.41Å; V663-F707 HydrophobicContact CG1-CD2 4.01Å; V663-F707 HydrophobicContact CG1-CE1 3.63Å; V663-F707 HydrophobicContact CG1-CE2 4.19Å; V663-F707 HydrophobicContact CG1-CG 3.62Å; V663-F707 HydrophobicContact CG1-CZ 4.02Å; V663-F707 HydrophobicContact CG2-CD2 4.15Å; V663-F707 HydrophobicContact CG2-CE2 4.03Å; V663-F707 HydrophobicContact CG2-CZ 4.38Å
664I94.6Very high90.7Very high2 Ų228.7 Ų28.71%0.0114%0.137CC..Hα-helixtrans-66.5-40.8175.4-67.2167.1000111.2A660 C661 R662 N667 R668 L730 L734 I736 I745A660-I664 WeakPolarHBondContact O-CB 3.29Å; A660-I664 VanDerWaalsContact O-CG1 3.24Å; A660-I664 WeakPolarHBondContact O-CG1 3.45Å; A660-I664 PolarHBondContact O-N 3.31Å; C661-I664 PolarHBondContact O-N 2.64Å; R662-I664 VanDerWaalsContact C-N 3.31Å; R662-I664 PolarHBondContact O-N 2.91Å; I664-N667 PolarHBondContact O-N 2.97Å; I664-R668 WeakPolarHBondContact O-CG 3.46Å; I664-R668 PolarHBondContact O-N 3.06Å; I664-L730 HydrophobicContact CD1-CD2 4.03Å; I664-L734 HydrophobicContact CB-CD1 3.88Å; I664-L734 HydrophobicContact CD1-CD1 4.3Å; I664-L734 HydrophobicContact CG2-CD1 3.71Å; I664-I736 HydrophobicContact CD1-CD1 4.28Å; I664-I736 HydrophobicContact CG2-CD1 4.43Å; I664-I745 HydrophobicContact CG2-CD1 4.08Å
665Q94.3Very high90.5Very high93 Ų9325.9 Ų25.944%0.43513%0.128SC..Hα-helixtrans-62.6-45174.2-74.7171.5-22.600111.6C661 R662 N667 R668 L669 L734C661-Q665 WeakPolarHBondContact O-CG 3.49Å; C661-Q665 PolarHBondContact O-N 3.47Å; R662-Q665 PolarHBondContact O-N 3.42Å; Q665-N667 VanDerWaalsContact C-N 3.33Å; Q665-N667 PolarHBondContact O-N 3.02Å; Q665-R668 WeakPolarHBondContact O-CB 3.29Å; Q665-R668 PolarHBondContact O-N 2.73Å; Q665-L669 WeakPolarHBondContact O-CB 3.5Å; Q665-L669 PolarHBondContact O-N 3.36Å; Q665-L734 HydrophobicContact CG-CD2 3.59Å
666L94.9Very high89.9Confident5 Ų527.4 Ų27.43%0.02614%0.138CC..Hα-helixtrans-59.1-44.9173.8176.163.8000111.3F595 L602 L632 V636 R662 V663 R668 L669 I670 L700F595-L666 HydrophobicContact CE1-CB 4.19Å; F595-L666 HydrophobicContact CE2-CD2 4.11Å; F595-L666 HydrophobicContact CZ-CB 3.77Å; F595-L666 HydrophobicContact CZ-CD2 3.62Å; F595-L666 HydrophobicContact CZ-CG 4.3Å; L602-L666 HydrophobicContact CD2-CD1 3.95Å; L632-L666 HydrophobicContact CB-CD2 4.16Å; L632-L666 HydrophobicContact CD1-CD1 4Å; L632-L666 HydrophobicContact CD1-CD2 4.43Å; L632-L666 HydrophobicContact CD2-CD2 4.19Å; L632-L666 HydrophobicContact CG-CD2 4.5Å; V636-L666 HydrophobicContact CG2-CD2 3.8Å; R662-L666 WeakPolarHBondContact O-CB 3.47Å; R662-L666 PolarHBondContact O-N 3.42Å; V663-L666 PolarHBondContact O-N 3.05Å; L666-R668 VanDerWaalsContact C-N 3.31Å; L666-R668 PolarHBondContact O-N 3.24Å; L666-L669 HydrophobicContact CD1-CD2 4.41Å; L666-L669 WeakPolarHBondContact O-CB 3.33Å; L666-L669 PolarHBondContact O-N 3.43Å; L666-L669 VanDerWaalsContact O-N 3.15Å; L666-I670 HydrophobicContact CD1-CD1 4.1Å; L666-I670 HydrophobicContact CD1-CG1 4.26Å; L666-I670 HydrophobicContact CG-CD1 3.9Å; L666-I670 HydrophobicContact CG-CG1 4.48Å; L666-I670 WeakPolarHBondContact O-CG1 3.39Å; L666-I670 PolarHBondContact O-N 3.3Å; L666-L700 HydrophobicContact CD2-CD1 4.25Å
667N94Very high88.5Confident8 Ų828.1 Ų28.14%0.04314%0.142CC..Hα-helixtrans-61.8-38.9176.418060000112.2V663 I664 Q665 T671 V704 F708 K749V663-N667 WeakPolarHBondContact O-CB 3.47Å; V663-N667 PolarHBondContact O-N 2.95Å; I664-N667 PolarHBondContact O-N 2.97Å; Q665-N667 VanDerWaalsContact C-N 3.33Å; Q665-N667 PolarHBondContact O-N 3.02Å; N667-T671 VanDerWaalsContact O-CB 3.26Å; N667-T671 WeakPolarHBondContact O-CB 3.16Å; N667-T671 PolarHBondContact O-N 2.81Å; N667-T671 PolarHBondContact O-OG1 2.97Å; N667-V704 HydrophobicContact CB-CG1 4.15Å; N667-F708 HydrophobicContact CB-CZ 4.38Å; N667-K749 VanDerWaalsContact OD1-CD 3.28Å; N667-K749 WeakPolarHBondContact OD1-CD 3.49Å; N667-K749 WeakPolarHBondContact OD1-CE 3.33Å; N667-K749 PolarHBondContact OD1-NZ 2.97Å
668R92.6Very high86.5Confident105 Ų10532 Ų3240%0.39617%0.166SC..Hα-helixtrans-62.8-43.9173.2-73.4176.4178.9-179.10.9111I664 Q665 L666 T671 N672I664-R668 WeakPolarHBondContact O-CG 3.46Å; I664-R668 PolarHBondContact O-N 3.06Å; Q665-R668 WeakPolarHBondContact O-CB 3.29Å; Q665-R668 PolarHBondContact O-N 2.73Å; L666-R668 VanDerWaalsContact C-N 3.31Å; L666-R668 PolarHBondContact O-N 3.24Å; R668-T671 PolarHBondContact O-N 3.16Å; R668-N672 VanDerWaalsContact O-CB 3.3Å; R668-N672 WeakPolarHBondContact O-CB 3.4Å; R668-N672 PolarHBondContact O-N 3.38Å; R668-N672 PolarHBondContact O-ND2 3.17Å; R668-N672 PolarHBondContact O-OD1 3.16Å
669L90.7Very high84.4Confident34 Ų3434.8 Ų34.818%0.17819%0.189CC..Hα-helixtrans-60.6-47.8177.2178151.8000111.7L602 E603 F606 Q665 L666 N672 F673L602-L669 HydrophobicContact CD2-CD2 4.18Å; E603-L669 HydrophobicContact CB-CD1 3.65Å; E603-L669 HydrophobicContact CG-CD1 3.69Å; F606-L669 HydrophobicContact CD2-CD2 3.45Å; F606-L669 VanDerWaalsContact CD2-CD2 3.45Å; F606-L669 HydrophobicContact CD2-CG 4.35Å; F606-L669 HydrophobicContact CE2-CD2 3.4Å; F606-L669 VanDerWaalsContact CE2-CD2 3.4Å; Q665-L669 WeakPolarHBondContact O-CB 3.5Å; Q665-L669 PolarHBondContact O-N 3.36Å; L666-L669 HydrophobicContact CD1-CD2 4.41Å; L666-L669 WeakPolarHBondContact O-CB 3.33Å; L666-L669 PolarHBondContact O-N 3.43Å; L666-L669 VanDerWaalsContact O-N 3.15Å; L669-N672 PolarHBondContact O-N 3.49Å; L669-F673 WeakPolarHBondContact O-CB 3.41Å; L669-F673 PolarHBondContact O-N 3.12Å
670I89.6Confident82.2Confident0 Ų039.7 Ų39.70%022%0.223CC..Hα-helixtrans-61.2-46.6176-65.1164.6000110.5L666 N672 F673 I674 M697 L700 V704L666-I670 HydrophobicContact CD1-CD1 4.1Å; L666-I670 HydrophobicContact CD1-CG1 4.26Å; L666-I670 HydrophobicContact CG-CD1 3.9Å; L666-I670 HydrophobicContact CG-CG1 4.48Å; L666-I670 WeakPolarHBondContact O-CG1 3.39Å; L666-I670 PolarHBondContact O-N 3.3Å; I670-N672 PolarHBondContact O-N 3.31Å; I670-F673 PolarHBondContact O-N 3.2Å; I670-I674 HydrophobicContact CG2-CD1 3.78Å; I670-I674 HydrophobicContact CG2-CG1 4.48Å; I670-I674 WeakPolarHBondContact O-CG1 3.5Å; I670-I674 PolarHBondContact O-N 3.06Å; I670-M697 HydrophobicContact CG2-SD 4.15Å; I670-L700 HydrophobicContact CD1-CD2 3.65Å; I670-L700 HydrophobicContact CD1-CG 3.95Å; I670-L700 HydrophobicContact CG1-CD2 4.39Å; I670-V704 HydrophobicContact CD1-CG2 4.47Å
671T88.8Confident79.9Confident13 Ų1342.5 Ų42.58%0.0824%0.24CC..Hα-helixtrans-62.9-43.8-179.8-58.80000111.6N667 R668 F673 I674 T675 T752N667-T671 VanDerWaalsContact O-CB 3.26Å; N667-T671 WeakPolarHBondContact O-CB 3.16Å; N667-T671 PolarHBondContact O-N 2.81Å; N667-T671 PolarHBondContact O-OG1 2.97Å; R668-T671 PolarHBondContact O-N 3.16Å; T671-F673 VanDerWaalsContact C-N 3.31Å; T671-F673 PolarHBondContact O-N 3.13Å; T671-I674 PolarHBondContact O-N 3.4Å; T671-T675 HydrophobicContact CG2-CG2 4.36Å; T671-T675 WeakPolarHBondContact O-CB 3.41Å; T671-T675 VanDerWaalsContact O-CG2 3.31Å; T671-T675 WeakPolarHBondContact O-CG2 3.42Å; T671-T675 PolarHBondContact O-N 3.18Å; T671-T675 PolarHBondContact O-OG1 2.98Å; T671-T752 HydrophobicContact CG2-CG2 4.06Å
672N87.5Confident77.5Confident103 Ų10348.7 Ų48.755%0.55128%0.278SS*.Hα-helixtrans-62.9-39.1177-71.1-11.1000111.4R668 L669 I670 T675 S676R668-N672 VanDerWaalsContact O-CB 3.3Å; R668-N672 WeakPolarHBondContact O-CB 3.4Å; R668-N672 PolarHBondContact O-N 3.38Å; R668-N672 PolarHBondContact O-ND2 3.17Å; R668-N672 PolarHBondContact O-OD1 3.16Å; L669-N672 PolarHBondContact O-N 3.49Å; I670-N672 PolarHBondContact O-N 3.31Å; N672-T675 WeakPolarHBondContact CA-OG1 3.21Å; N672-T675 PolarHBondContact O-N 3.48Å; N672-T675 PolarHBondContact O-OG1 3.24Å; N672-S676 WeakPolarHBondContact O-CB 3.4Å; N672-S676 PolarHBondContact O-N 3.26Å; N672-S676 PolarHBondContact O-OG 3.31Å
673F84.1Confident75.3Confident10 Ų1050 Ų504%0.04429%0.291CS..Hα-helixtrans-66.3-43.2176.1179.2-96.9000112.6F606 L609 T610 L669 I670 T671 T675 S676 N677 T691F606-F673 HydrophobicContact CB-CD2 3.77Å; F606-F673 HydrophobicContact CB-CE2 4.07Å; F606-F673 AromaticContact CD1-CD2 3.96Å; F606-F673 HydrophobicContact CD1-CD2 3.96Å; F606-F673 HydrophobicContact CD1-CE1 4.43Å; F606-F673 AromaticContact CD1-CE2 3.85Å; F606-F673 HydrophobicContact CD1-CE2 3.85Å; F606-F673 HydrophobicContact CD1-CG 4.28Å; F606-F673 HydrophobicContact CD1-CZ 4.11Å; F606-F673 HydrophobicContact CD2-CB 3.85Å; F606-F673 HydrophobicContact CD2-CD1 4.46Å; F606-F673 AromaticContact CD2-CD2 3.85Å; F606-F673 HydrophobicContact CD2-CD2 3.85Å; F606-F673 AromaticContact CD2-CG 3.79Å; F606-F673 HydrophobicContact CD2-CG 3.79Å; F606-F673 HydrophobicContact CE1-CD1 4.27Å; F606-F673 HydrophobicContact CE1-CE1 4.22Å; F606-F673 HydrophobicContact CE1-CE2 4.43Å; F606-F673 HydrophobicContact CE1-CG 4.41Å; F606-F673 HydrophobicContact CE1-CZ 4.29Å; F606-F673 HydrophobicContact CE2-CB 3.97Å; F606-F673 HydrophobicContact CE2-CD1 4.23Å; F606-F673 HydrophobicContact CE2-CD2 4.42Å; F606-F673 AromaticContact CE2-CG 3.94Å; F606-F673 HydrophobicContact CE2-CG 3.94Å; F606-F673 HydrophobicContact CG-CB 4.48Å; F606-F673 AromaticContact CG-CD2 3.6Å; F606-F673 HydrophobicContact CG-CD2 3.6Å; F606-F673 AromaticContact CG-CE2 3.93Å; F606-F673 HydrophobicContact CG-CE2 3.93Å; F606-F673 AromaticContact CG-CG 3.98Å; F606-F673 HydrophobicContact CG-CG 3.98Å; F606-F673 HydrophobicContact CZ-CD1 4.14Å; F606-F673 HydrophobicContact CZ-CE1 4.49Å; F606-F673 HydrophobicContact CZ-CG 4.27Å; L609-F673 HydrophobicContact CB-CE2 4.38Å; L609-F673 HydrophobicContact CD1-CE2 4.1Å; L609-F673 HydrophobicContact CD1-CZ 3.85Å; T610-F673 HydrophobicContact CG2-CD2 4.35Å; T610-F673 HydrophobicContact CG2-CE2 4.26Å; L669-F673 WeakPolarHBondContact O-CB 3.41Å; L669-F673 PolarHBondContact O-N 3.12Å; I670-F673 PolarHBondContact O-N 3.2Å; T671-F673 VanDerWaalsContact C-N 3.31Å; T671-F673 PolarHBondContact O-N 3.13Å; F673-T675 VanDerWaalsContact C-N 3.33Å; F673-T675 PolarHBondContact O-N 3.42Å; F673-S676 PolarHBondContact O-OG 3.13Å; F673-N677 PolarHBondContact O-ND2 2.81Å; F673-T691 HydrophobicContact CE1-CG2 3.84Å; F673-T691 HydrophobicContact CZ-CG2 4.14Å
674I82.6Confident73Confident3 Ų352 Ų522%0.01530%0.302CS..Hα-helixtrans-65.8-37.5177.5-66.3168.9000111.1I670 T671 Y756 W757I670-I674 HydrophobicContact CG2-CD1 3.78Å; I670-I674 HydrophobicContact CG2-CG1 4.48Å; I670-I674 WeakPolarHBondContact O-CG1 3.5Å; I670-I674 PolarHBondContact O-N 3.06Å; T671-I674 PolarHBondContact O-N 3.4Å; I674-Y756 HydrophobicContact CG2-CD1 3.93Å; I674-Y756 HydrophobicContact CG2-CD2 3.81Å; I674-Y756 HydrophobicContact CG2-CE1 4.47Å; I674-Y756 HydrophobicContact CG2-CE2 4.38Å; I674-Y756 HydrophobicContact CG2-CG 3.56Å; I674-W757 HydrophobicContact CD1-CZ2 4.39Å
675T81.1Confident70.6Confident49 Ų4954.7 Ų54.730%0.30132%0.321SS..Hα-helixtrans-85.1-30.7-175.152.90000114.4T671 N672 F673 N677 Y756T671-T675 HydrophobicContact CG2-CG2 4.36Å; T671-T675 WeakPolarHBondContact O-CB 3.41Å; T671-T675 VanDerWaalsContact O-CG2 3.31Å; T671-T675 WeakPolarHBondContact O-CG2 3.42Å; T671-T675 PolarHBondContact O-N 3.18Å; T671-T675 PolarHBondContact O-OG1 2.98Å; N672-T675 WeakPolarHBondContact CA-OG1 3.21Å; N672-T675 PolarHBondContact O-N 3.48Å; N672-T675 PolarHBondContact O-OG1 3.24Å; F673-T675 VanDerWaalsContact C-N 3.33Å; F673-T675 PolarHBondContact O-N 3.42Å; T675-N677 VanDerWaalsContact C-N 3.25Å; T675-N677 PolarHBondContact O-N 2.94Å; T675-Y756 HydrophobicContact CG2-CE2 3.86Å
676S72.7Confident68.5Low64 Ų6453.1 Ų53.145%0.44832%0.318SS..Hα-helixtrans-68.7-24.2-18064.10000113.1N672 F673 T678N672-S676 WeakPolarHBondContact O-CB 3.4Å; N672-S676 PolarHBondContact O-N 3.26Å; N672-S676 PolarHBondContact O-OG 3.31Å; F673-S676 PolarHBondContact O-OG 3.13Å; S676-T678 PolarHBondContact O-N 3.03Å
677N60.7Low66.5Low16 Ų1654.2 Ų54.29%0.08632%0.323CS..SBendtrans-81.764.4175.9-64.5-32000111.1F673 T675 T688F673-N677 PolarHBondContact O-ND2 2.81Å; T675-N677 VanDerWaalsContact C-N 3.25Å; T675-N677 PolarHBondContact O-N 2.94Å; N677-T688 WeakPolarHBondContact CB-OG1 3.27Å
678T47.5Very low64.6Low81 Ų8154.7 Ų54.750%0.49733%0.327SS..  trans-63.1145.2175.5220000112.3S676 S680S676-T678 PolarHBondContact O-N 3.03Å; T678-S680 PolarHBondContact O-N 3.31Å
679P48Very low62.5Low108 Ų10854.3 Ų54.370%0.70133%0.331SS*.THydrogen-bonded Turntrans-70.813.8-169.4-15.229.7000116.6T681P679-T681 VanDerWaalsContact C-N 3.31Å; P679-T681 PolarHBondContact O-N 3.45Å
680S46Very low60.8Low105 Ų10556.9 Ų56.973%0.73434%0.344SS*.THydrogen-bonded Turntrans-77.5-11.6-173.353.90000114.6T678T678-S680 PolarHBondContact O-N 3.31Å
681T43.7Very low59.5Low60 Ų6057.5 Ų57.537%0.36835%0.348SS..SBendtrans-127.9130.5176.146.60000110.7P679 S683 N684 C685P679-T681 VanDerWaalsContact C-N 3.31Å; P679-T681 PolarHBondContact O-N 3.45Å; T681-S683 PolarHBondContact O-N 3.4Å; T681-S683 VanDerWaalsContact O-N 3.1Å; T681-N684 PolarHBondContact O-N 3.47Å; T681-N684 WeakPolarHBondContact OG1-CB 3.01Å; T681-N684 PolarHBondContact OG1-ND2 3.44Å; T681-N684 VanDerWaalsContact OG1-ND2 3.16Å; T681-N684 PolarHBondContact OG1-OD1 3.15Å; T681-C685 PolarHBondContact O-N 3.28Å
682V44.8Very low58.3Low132 Ų13257.8 Ų57.880%0.835%0.35SS*.Hα-helixtrans-54-32.8-178.6179.20000111.8T686V682-T686 PolarHBondContact O-N 3.17Å; V682-T686 PolarHBondContact O-OG1 3.43Å
683S47.4Very low57.3Low58 Ų5857.7 Ų57.741%0.40635%0.346SS..Hα-helixtrans-70.8-30.5176.456.50000114.8T681 T686 N687T681-S683 PolarHBondContact O-N 3.4Å; T681-S683 VanDerWaalsContact O-N 3.1Å; S683-T686 VanDerWaalsContact C-OG1 3.31Å; S683-T686 WeakPolarHBondContact CA-OG1 3.47Å; S683-T686 PolarHBondContact O-OG1 2.89Å; S683-N687 PolarHBondContact O-N 3.44Å
684N47Very low57Low42 Ų4258 Ų5823%0.22535%0.349CS..Hα-helixtrans-82.6-30.4-179.7-6911.8000111.2T681 T686 N687 T688T681-N684 PolarHBondContact O-N 3.47Å; T681-N684 WeakPolarHBondContact OG1-CB 3.01Å; T681-N684 PolarHBondContact OG1-ND2 3.44Å; T681-N684 VanDerWaalsContact OG1-ND2 3.16Å; T681-N684 PolarHBondContact OG1-OD1 3.15Å; N684-T686 VanDerWaalsContact C-N 3.32Å; N684-N687 PolarHBondContact O-N 3.38Å; N684-T688 PolarHBondContact O-N 3.26Å; N684-T688 PolarHBondContact O-OG1 3.09Å
685C45Very low56.9Low59 Ų5958.7 Ų58.740%0.39935%0.354SS..Hα-helixtrans-64.3-38.7174.4-149.70000111.2T681 T688 M689T681-C685 PolarHBondContact O-N 3.28Å; C685-T688 PolarHBondContact O-N 3.42Å; C685-M689 WeakPolarHBondContact O-CB 3.02Å; C685-M689 PolarHBondContact O-N 2.87Å
686T49.1Very low57.1Low61 Ų6156.5 Ų56.537%0.37434%0.34SS..Hα-helixtrans-63.5-41.7173.339.10000112.3V682 S683 N684 T688 M689 L690V682-T686 PolarHBondContact O-N 3.17Å; V682-T686 PolarHBondContact O-OG1 3.43Å; S683-T686 VanDerWaalsContact C-OG1 3.31Å; S683-T686 WeakPolarHBondContact CA-OG1 3.47Å; S683-T686 PolarHBondContact O-OG1 2.89Å; N684-T686 VanDerWaalsContact C-N 3.32Å; T686-T688 PolarHBondContact O-N 3.22Å; T686-M689 PolarHBondContact O-N 3.3Å; T686-L690 VanDerWaalsContact O-CB 3.28Å; T686-L690 WeakPolarHBondContact O-CB 3.22Å; T686-L690 WeakPolarHBondContact O-CD1 3.46Å; T686-L690 WeakPolarHBondContact O-CG 3.37Å; T686-L690 PolarHBondContact O-N 3.38Å
687N52.9Low57.8Low27 Ų2753.5 Ų53.514%0.14432%0.32CS..Hα-helixtrans-66.7-37.6179.2-68.9-6.1000112.6S683 N684 T691S683-N687 PolarHBondContact O-N 3.44Å; N684-N687 PolarHBondContact O-N 3.38Å; N687-T691 WeakPolarHBondContact O-CG2 3.21Å; N687-T691 PolarHBondContact O-N 2.96Å; N687-T691 PolarHBondContact O-OG1 3.02Å
688T54Low59.1Low19 Ų1953.2 Ų53.212%0.11732%0.318CS..Hα-helixtrans-69.7-41.6175-41.40000111.3N677 N684 C685 T686 T691 T692N677-T688 WeakPolarHBondContact CB-OG1 3.27Å; N684-T688 PolarHBondContact O-N 3.26Å; N684-T688 PolarHBondContact O-OG1 3.09Å; C685-T688 PolarHBondContact O-N 3.42Å; T686-T688 PolarHBondContact O-N 3.22Å; T688-T691 PolarHBondContact O-N 3.28Å; T688-T691 PolarHBondContact O-OG1 3.23Å; T688-T692 HydrophobicContact CG2-CG2 4.06Å; T688-T692 WeakPolarHBondContact O-CB 3.46Å; T688-T692 WeakPolarHBondContact O-CG2 3.44Å; T688-T692 PolarHBondContact O-N 2.91Å; T688-T692 PolarHBondContact O-OG1 3.21Å
689M50.1Low61.1Low97 Ų9749.5 Ų49.548%0.47830%0.295SS..Hα-helixtrans-64.8-42.5174.4-87.4-159.681.500112.2C685 T686 T691 Q693C685-M689 WeakPolarHBondContact O-CB 3.02Å; C685-M689 PolarHBondContact O-N 2.87Å; T686-M689 PolarHBondContact O-N 3.3Å; M689-T691 PolarHBondContact O-N 2.87Å; M689-Q693 VanDerWaalsContact CE-CD 3.5Å; M689-Q693 VanDerWaalsContact O-CB 3.27Å; M689-Q693 WeakPolarHBondContact O-CB 3.1Å; M689-Q693 WeakPolarHBondContact O-CG 3.43Å; M689-Q693 PolarHBondContact O-N 3.28Å; M689-Q693 VanDerWaalsContact O-N 3.12Å
690L54.6Low63.2Low88 Ų8844.4 Ų44.446%0.46126%0.261SS..Hα-helixtrans-57.9-34.3178.5-80.3160000111.9V616 T686 S694V616-L690 HydrophobicContact CG1-CD1 3.95Å; T686-L690 VanDerWaalsContact O-CB 3.28Å; T686-L690 WeakPolarHBondContact O-CB 3.22Å; T686-L690 WeakPolarHBondContact O-CD1 3.46Å; T686-L690 WeakPolarHBondContact O-CG 3.37Å; T686-L690 PolarHBondContact O-N 3.38Å; L690-S694 WeakPolarHBondContact O-CB 3.4Å; L690-S694 PolarHBondContact O-N 2.94Å
691T61.8Low65.5Low12 Ų1239.4 Ų39.47%0.07423%0.226CC..Hα-helixtrans-95.1-41.5-176.652.20000113.4F673 N687 T688 M689 Q693 S694 M697F673-T691 HydrophobicContact CE1-CG2 3.84Å; F673-T691 HydrophobicContact CZ-CG2 4.14Å; N687-T691 WeakPolarHBondContact O-CG2 3.21Å; N687-T691 PolarHBondContact O-N 2.96Å; N687-T691 PolarHBondContact O-OG1 3.02Å; T688-T691 PolarHBondContact O-N 3.28Å; T688-T691 PolarHBondContact O-OG1 3.23Å; M689-T691 PolarHBondContact O-N 2.87Å; T691-Q693 PolarHBondContact O-N 3.02Å; T691-S694 PolarHBondContact O-N 3.32Å; T691-S694 VanDerWaalsContact O-N 3.11Å; T691-S694 PolarHBondContact O-OG 3.35Å; T691-S694 VanDerWaalsContact O-OG 3.1Å; T691-M697 VanDerWaalsContact O-CB 3.3Å; T691-M697 WeakPolarHBondContact O-CB 3.35Å
692T64.3Low67.8Low20 Ų2036.9 Ų36.912%0.12321%0.211CC..Hα-helixtrans-70.9-7.4175.258.10000113.5T688 W757T688-T692 HydrophobicContact CG2-CG2 4.06Å; T688-T692 WeakPolarHBondContact O-CB 3.46Å; T688-T692 WeakPolarHBondContact O-CG2 3.44Å; T688-T692 PolarHBondContact O-N 2.91Å; T688-T692 PolarHBondContact O-OG1 3.21Å; T692-W757 WeakPolarHBondContact O-CZ3 3.31Å
693Q66.6Low70.1Confident101 Ų10130.6 Ų30.647%0.47217%0.173SC..THydrogen-bonded Turntrans-111.5-3.7170.8-59.4-172.1-18.600112.9M689 T691 P695M689-Q693 VanDerWaalsContact CE-CD 3.5Å; M689-Q693 VanDerWaalsContact O-CB 3.27Å; M689-Q693 WeakPolarHBondContact O-CB 3.1Å; M689-Q693 WeakPolarHBondContact O-CG 3.43Å; M689-Q693 PolarHBondContact O-N 3.28Å; M689-Q693 VanDerWaalsContact O-N 3.12Å; T691-Q693 PolarHBondContact O-N 3.02Å; Q693-P695 WeakPolarHBondContact O-CD 3.37Å
694S77.1Confident72.4Confident15 Ų1527.9 Ų27.911%0.10515%0.153CC..  trans-69.8130.7178.4770000109.8L690 T691 S696 M697 I698L690-S694 WeakPolarHBondContact O-CB 3.4Å; L690-S694 PolarHBondContact O-N 2.94Å; T691-S694 PolarHBondContact O-N 3.32Å; T691-S694 VanDerWaalsContact O-N 3.11Å; T691-S694 PolarHBondContact O-OG 3.35Å; T691-S694 VanDerWaalsContact O-OG 3.1Å; S694-S696 PolarHBondContact O-N 3.49Å; S694-S696 PolarHBondContact OG-OG 2.94Å; S694-M697 PolarHBondContact O-N 2.92Å; S694-M697 WeakPolarHBondContact OG-CB 3.16Å; S694-M697 PolarHBondContact OG-N 3.4Å; S694-I698 WeakPolarHBondContact O-CG1 3.27Å; S694-I698 PolarHBondContact O-N 2.94Å; S694-I698 VanDerWaalsContact O-N 3.09Å
695P80.8Confident74.7Confident18 Ų1825.9 Ų25.912%0.11714%0.143CC..Hα-helixtrans-56.9-35.6176.3-3037.6000113.6T494 I496 Q693 I698 R699T494-P695 WeakPolarHBondContact O-CG 3.36Å; I496-P695 HydrophobicContact CD1-CB 4.02Å; I496-P695 HydrophobicContact CD1-CG 4.29Å; I496-P695 HydrophobicContact CG1-CB 3.71Å; I496-P695 HydrophobicContact CG1-CG 4.07Å; Q693-P695 WeakPolarHBondContact O-CD 3.37Å; P695-I698 PolarHBondContact O-N 3.15Å; P695-R699 VanDerWaalsContact O-CG 3.31Å; P695-R699 WeakPolarHBondContact O-CG 3.46Å; P695-R699 PolarHBondContact O-N 2.93Å
696S84.6Confident76.9Confident3 Ų323.3 Ų23.32%0.02113%0.126CC..Hα-helixtrans-64.6-44.217948.50000112.4E629 H630 S694 R699 L700E629-S696 WeakPolarHBondContact OE2-CB 3.47Å; E629-S696 PolarHBondContact OE2-OG 3.46Å; H630-S696 WeakPolarHBondContact CE1-CB 3.47Å; S694-S696 PolarHBondContact O-N 3.49Å; S694-S696 PolarHBondContact OG-OG 2.94Å; S696-R699 PolarHBondContact O-N 3.41Å; S696-L700 PolarHBondContact O-N 3.06Å
697M88Confident79.1Confident2 Ų220.4 Ų20.41%0.0111%0.108CC..Hα-helixtrans-68.1-39175.8-175.359.771.600111.3F606 E629 I670 T691 S694 R699 L700 E701 W757F606-M697 HydrophobicContact CE1-CE 4.38Å; F606-M697 HydrophobicContact CZ-CE 3.76Å; E629-M697 HydrophobicContact CG-CE 4.17Å; E629-M697 WeakPolarHBondContact OE1-CE 3.25Å; E629-M697 PolarHBondContact OE2-N 2.89Å; E629-M697 VanDerWaalsContact OE2-N 3.1Å; I670-M697 HydrophobicContact CG2-SD 4.15Å; T691-M697 VanDerWaalsContact O-CB 3.3Å; T691-M697 WeakPolarHBondContact O-CB 3.35Å; S694-M697 PolarHBondContact O-N 2.92Å; S694-M697 WeakPolarHBondContact OG-CB 3.16Å; S694-M697 PolarHBondContact OG-N 3.4Å; M697-R699 VanDerWaalsContact C-N 3.28Å; M697-R699 PolarHBondContact O-N 3.16Å; M697-L700 PolarHBondContact O-N 3.4Å; M697-L700 HydrophobicContact SD-CD2 4.17Å; M697-E701 VanDerWaalsContact O-CB 3.22Å; M697-E701 WeakPolarHBondContact O-CB 3.4Å; M697-E701 PolarHBondContact O-N 3.16Å; M697-W757 HydrophobicContact CB-CH2 4.28Å; M697-W757 HydrophobicContact CG-CH2 3.67Å; M697-W757 HydrophobicContact CG-CZ2 3.86Å
698I88.3Confident81.1Confident10 Ų1019.1 Ų19.15%0.05110%0.101CC..Hα-helixtrans-57.9-43.9175-70.4163.8000110.6I496 S694 P695 E701 L702 W757 I763I496-I698 HydrophobicContact CD1-CB 4.13Å; I496-I698 HydrophobicContact CD1-CD1 3.36Å; I496-I698 HydrophobicContact CD1-CG1 4.31Å; I496-I698 HydrophobicContact CD1-CG2 4.06Å; S694-I698 WeakPolarHBondContact O-CG1 3.27Å; S694-I698 PolarHBondContact O-N 2.94Å; S694-I698 VanDerWaalsContact O-N 3.09Å; P695-I698 PolarHBondContact O-N 3.15Å; I698-E701 PolarHBondContact O-N 2.88Å; I698-L702 HydrophobicContact CG2-CD1 4Å; I698-L702 HydrophobicContact CG2-CG 4.5Å; I698-L702 VanDerWaalsContact O-CG 3.23Å; I698-L702 WeakPolarHBondContact O-CG 3.47Å; I698-L702 PolarHBondContact O-N 3.19Å; I698-W757 HydrophobicContact CD1-CZ3 4.29Å; I698-W757 HydrophobicContact CG1-CE3 4.37Å; I698-W757 HydrophobicContact CG1-CH2 3.95Å; I698-W757 HydrophobicContact CG1-CZ3 3.4Å; I698-W757 VanDerWaalsContact CG1-CZ3 3.4Å; I698-I763 HydrophobicContact CB-CD1 4.28Å; I698-I763 HydrophobicContact CG1-CD1 4.07Å; I698-I763 HydrophobicContact CG2-CD1 4Å; I698-I763 HydrophobicContact CG2-CG1 4.35Å
699R89.6Confident82.9Confident3 Ų318.5 Ų18.51%0.01110%0.097CC..Hα-helixtrans-64.7-43.1177.4-71.6169.9-175.71256112.3T495 C561 L563 D564 H630 P695 S696 M697 E701 L702 A703T495-R699 PolarHBondContact O-NH2 3.46Å; C561-R699 PolarHBondContact SG-NE 3.2Å; L563-R699 HydrophobicContact CB-CG 4.5Å; L563-R699 HydrophobicContact CD1-CB 4.32Å; D564-R699 IonicContact OD1-CZ 3.67Å; D564-R699 IonicContact OD1-NE 3.31Å; D564-R699 PolarHBondContact OD1-NE 2.82Å; D564-R699 IonicContact OD1-NH2 3.61Å; D564-R699 PolarHBondContact OD1-NH2 2.83Å; D564-R699 IonicContact OD2-CZ 2.64Å; D564-R699 IonicContact OD2-NE 3.4Å; D564-R699 IonicContact OD2-NH2 2.73Å; D564-R699 PolarHBondContact OD2-NH2 2.98Å; H630-R699 PolarHBondContact NE2-NH1 3.24Å; H630-R699 VanDerWaalsContact NE2-NH1 3.1Å; P695-R699 VanDerWaalsContact O-CG 3.31Å; P695-R699 WeakPolarHBondContact O-CG 3.46Å; P695-R699 PolarHBondContact O-N 2.93Å; S696-R699 PolarHBondContact O-N 3.41Å; M697-R699 VanDerWaalsContact C-N 3.28Å; M697-R699 PolarHBondContact O-N 3.16Å; R699-E701 VanDerWaalsContact C-N 3.33Å; R699-L702 PolarHBondContact O-N 2.76Å; R699-A703 PolarHBondContact O-N 3.48Å
700L92.6Very high84.8Confident0 Ų015.4 Ų15.40%08%0.081CC..Hα-helixtrans-61.6-43.1175.2178.558.6000111.7E629 L632 A633 V636 L666 I670 S696 M697 A703 V704E629-L700 HydrophobicContact CB-CD2 4.37Å; E629-L700 HydrophobicContact CG-CD2 4.2Å; L632-L700 HydrophobicContact CB-CD1 3.86Å; A633-L700 HydrophobicContact CB-CB 4.28Å; A633-L700 HydrophobicContact CB-CD1 4.23Å; V636-L700 HydrophobicContact CG2-CD1 4.4Å; L666-L700 HydrophobicContact CD2-CD1 4.25Å; I670-L700 HydrophobicContact CD1-CD2 3.65Å; I670-L700 HydrophobicContact CD1-CG 3.95Å; I670-L700 HydrophobicContact CG1-CD2 4.39Å; S696-L700 PolarHBondContact O-N 3.06Å; M697-L700 PolarHBondContact O-N 3.4Å; M697-L700 HydrophobicContact SD-CD2 4.17Å; L700-A703 WeakPolarHBondContact O-CA 3.4Å; L700-A703 VanDerWaalsContact O-CB 3.32Å; L700-A703 WeakPolarHBondContact O-CB 3.41Å; L700-A703 PolarHBondContact O-N 3.5Å; L700-A703 VanDerWaalsContact O-N 3.12Å; L700-V704 WeakPolarHBondContact O-CG2 3.48Å; L700-V704 PolarHBondContact O-N 2.87Å
701E93Very high86.5Confident0 Ų011.2 Ų11.20%06%0.059CC..Hα-helixtrans-64.7-41.6179.8-174.354.7-148.700112M697 I698 R699 A703 V704 L705 K749 N753 W757 I763M697-E701 VanDerWaalsContact O-CB 3.22Å; M697-E701 WeakPolarHBondContact O-CB 3.4Å; M697-E701 PolarHBondContact O-N 3.16Å; I698-E701 PolarHBondContact O-N 2.88Å; R699-E701 VanDerWaalsContact C-N 3.33Å; E701-A703 VanDerWaalsContact C-N 3.31Å; E701-A703 PolarHBondContact O-N 3.37Å; E701-V704 PolarHBondContact O-N 3.14Å; E701-L705 WeakPolarHBondContact O-CG 3.33Å; E701-L705 PolarHBondContact O-N 2.86Å; E701-K749 WeakPolarHBondContact OE1-CE 3.33Å; E701-K749 IonicContact OE1-NZ 3.62Å; E701-K749 PolarHBondContact OE1-NZ 2.92Å; E701-K749 IonicContact OE2-NZ 3.58Å; E701-K749 PolarHBondContact OE2-NZ 2.99Å; E701-N753 VanDerWaalsContact OE1-CG 3.26Å; E701-N753 PolarHBondContact OE1-ND2 3.07Å; E701-N753 PolarHBondContact OE1-OD1 2.91Å; E701-W757 HydrophobicContact CB-CZ2 4.14Å; E701-W757 HydrophobicContact CG-CZ2 3.95Å; E701-I763 HydrophobicContact CB-CD1 4Å; E701-I763 HydrophobicContact CG-CD1 3.71Å; E701-I763 HydrophobicContact CG-CG1 4.14Å; E701-I763 HydrophobicContact CG-CG2 4.11Å
702L92.3Very high87.8Confident8 Ų812.2 Ų12.24%0.0426%0.062CC..Hα-helixtrans-63.5-36.7171.5-69169.2000112.1I498 I698 R699 L705 S706 I763 R766I498-L702 HydrophobicContact CD1-CD1 3.33Å; I698-L702 HydrophobicContact CG2-CD1 4Å; I698-L702 HydrophobicContact CG2-CG 4.5Å; I698-L702 VanDerWaalsContact O-CG 3.23Å; I698-L702 WeakPolarHBondContact O-CG 3.47Å; I698-L702 PolarHBondContact O-N 3.19Å; R699-L702 PolarHBondContact O-N 2.76Å; L702-L705 PolarHBondContact O-N 3.22Å; L702-S706 PolarHBondContact O-N 3.34Å; L702-I763 HydrophobicContact CD2-CG1 3.95Å; L702-I763 HydrophobicContact CG-CG1 4.12Å; L702-R766 HydrophobicContact CD2-CG 4.32Å; L702-R766 PolarHBondContact O-NH1 3.45Å
703A94Very high88.8Confident0 Ų016.5 Ų16.50%08%0.076CC..Hα-helixtrans-63.1-44174.400000111.6A633 V636 Y637 R699 L700 E701 L705 S706 F707A633-A703 HydrophobicContact CB-CB 4.25Å; A633-A703 WeakPolarHBondContact O-CB 3.43Å; V636-A703 HydrophobicContact CB-CB 3.97Å; V636-A703 VanDerWaalsContact CG1-C 3.42Å; V636-A703 HydrophobicContact CG1-CB 3.88Å; V636-A703 VanDerWaalsContact CG1-O 3.31Å; V636-A703 WeakPolarHBondContact CG1-O 3.33Å; Y637-A703 HydrophobicContact CD1-CB 4.08Å; Y637-A703 HydrophobicContact CD2-CB 3.68Å; Y637-A703 VanDerWaalsContact CE1-CA 3.46Å; Y637-A703 HydrophobicContact CE1-CB 3.89Å; Y637-A703 HydrophobicContact CE2-CB 3.51Å; Y637-A703 HydrophobicContact CG-CB 3.96Å; Y637-A703 VanDerWaalsContact CZ-CA 3.47Å; Y637-A703 PolarHBondContact OH-N 2.87Å; R699-A703 PolarHBondContact O-N 3.48Å; L700-A703 WeakPolarHBondContact O-CA 3.4Å; L700-A703 VanDerWaalsContact O-CB 3.32Å; L700-A703 WeakPolarHBondContact O-CB 3.41Å; L700-A703 PolarHBondContact O-N 3.5Å; L700-A703 VanDerWaalsContact O-N 3.12Å; E701-A703 VanDerWaalsContact C-N 3.31Å; E701-A703 PolarHBondContact O-N 3.37Å; A703-L705 VanDerWaalsContact C-N 3.35Å; A703-L705 PolarHBondContact O-N 3.37Å; A703-S706 WeakPolarHBondContact O-CB 3.2Å; A703-S706 PolarHBondContact O-N 3.46Å; A703-F707 PolarHBondContact O-N 3.36Å
704V95.9Very high89.6Confident0 Ų013.5 Ų13.50%06%0.064CC..Hα-helixtrans-62.3-41.6176.11740000111.4V636 N667 I670 L700 E701 F707 F708V636-V704 HydrophobicContact CG1-CG2 4.27Å; N667-V704 HydrophobicContact CB-CG1 4.15Å; I670-V704 HydrophobicContact CD1-CG2 4.47Å; L700-V704 WeakPolarHBondContact O-CG2 3.48Å; L700-V704 PolarHBondContact O-N 2.87Å; E701-V704 PolarHBondContact O-N 3.14Å; V704-F707 WeakPolarHBondContact O-CB 3.4Å; V704-F707 PolarHBondContact O-N 2.9Å; V704-F708 HydrophobicContact CG1-CD2 4.02Å; V704-F708 HydrophobicContact CG1-CE2 3.61Å; V704-F708 HydrophobicContact CG1-CZ 4.21Å; V704-F708 PolarHBondContact O-N 3.36Å
705L94.5Very high90Very high0 Ų013 Ų130%06%0.06CC..Hα-helixtrans-63.3-43.1174.5-71.7173.4000112E701 L702 A703 F707 F708 E709 K749 I763 R766 L770E701-L705 WeakPolarHBondContact O-CG 3.33Å; E701-L705 PolarHBondContact O-N 2.86Å; L702-L705 PolarHBondContact O-N 3.22Å; A703-L705 VanDerWaalsContact C-N 3.35Å; A703-L705 PolarHBondContact O-N 3.37Å; L705-F707 VanDerWaalsContact C-N 3.32Å; L705-F707 PolarHBondContact O-N 3.04Å; L705-F708 PolarHBondContact O-N 3.17Å; L705-E709 WeakPolarHBondContact O-CG 3.4Å; L705-E709 PolarHBondContact O-N 3.33Å; L705-K749 HydrophobicContact CD2-CG 4.42Å; L705-I763 HydrophobicContact CD1-CG2 4.15Å; L705-R766 HydrophobicContact CD1-CB 3.89Å; L705-L770 HydrophobicContact CD2-CD2 4.35Å
706S91.7Very high89.9Confident6 Ų613.4 Ų13.44%0.0426%0.062CC..Hα-helixtrans-56.7-46.1171.5-82.20000112.5W566 Y637 L702 A703 F708 E709 Q710 R766W566-S706 WeakPolarHBondContact CH2-OG 3.38Å; W566-S706 VanDerWaalsContact CZ3-OG 3.3Å; W566-S706 WeakPolarHBondContact CZ3-OG 3.5Å; Y637-S706 WeakPolarHBondContact CE1-OG 3.17Å; L702-S706 PolarHBondContact O-N 3.34Å; A703-S706 WeakPolarHBondContact O-CB 3.2Å; A703-S706 PolarHBondContact O-N 3.46Å; S706-F708 VanDerWaalsContact C-N 3.32Å; S706-F708 PolarHBondContact O-N 3.43Å; S706-E709 WeakPolarHBondContact O-CB 3.46Å; S706-E709 PolarHBondContact O-N 3.21Å; S706-Q710 WeakPolarHBondContact O-CG 3.46Å; S706-Q710 PolarHBondContact O-N 3.33Å; S706-R766 VanDerWaalsContact CA-NH2 3.29Å; S706-R766 PolarHBondContact OG-NH1 3.37Å; S706-R766 PolarHBondContact OG-NH2 3Å
707F95.5Very high89.5Confident0 Ų014.7 Ų14.70%08%0.076CC..Hα-helixtrans-58.7-45.6177.6163.4-93.4000111V636 V639 I643 A660 V663 A703 V704 L705 E709 Q710 L711V636-F707 HydrophobicContact CG1-CB 3.75Å; V636-F707 HydrophobicContact CG1-CG 4.49Å; V639-F707 HydrophobicContact CG1-CD2 3.94Å; V639-F707 HydrophobicContact CG1-CE2 3.77Å; I643-F707 HydrophobicContact CD1-CD2 4.22Å; I643-F707 HydrophobicContact CD1-CE2 3.52Å; I643-F707 HydrophobicContact CD1-CZ 4.39Å; A660-F707 HydrophobicContact CB-CE2 4.45Å; A660-F707 HydrophobicContact CB-CZ 3.98Å; V663-F707 HydrophobicContact CB-CD1 4.17Å; V663-F707 HydrophobicContact CB-CD2 4.25Å; V663-F707 HydrophobicContact CB-CE1 3.92Å; V663-F707 HydrophobicContact CB-CE2 3.99Å; V663-F707 HydrophobicContact CB-CG 4.33Å; V663-F707 HydrophobicContact CB-CZ 3.84Å; V663-F707 HydrophobicContact CG1-CB 4.27Å; V663-F707 HydrophobicContact CG1-CD1 3.41Å; V663-F707 VanDerWaalsContact CG1-CD1 3.41Å; V663-F707 HydrophobicContact CG1-CD2 4.01Å; V663-F707 HydrophobicContact CG1-CE1 3.63Å; V663-F707 HydrophobicContact CG1-CE2 4.19Å; V663-F707 HydrophobicContact CG1-CG 3.62Å; V663-F707 HydrophobicContact CG1-CZ 4.02Å; V663-F707 HydrophobicContact CG2-CD2 4.15Å; V663-F707 HydrophobicContact CG2-CE2 4.03Å; V663-F707 HydrophobicContact CG2-CZ 4.38Å; A703-F707 PolarHBondContact O-N 3.36Å; V704-F707 WeakPolarHBondContact O-CB 3.4Å; V704-F707 PolarHBondContact O-N 2.9Å; L705-F707 VanDerWaalsContact C-N 3.32Å; L705-F707 PolarHBondContact O-N 3.04Å; F707-E709 VanDerWaalsContact C-N 3.34Å; F707-E709 PolarHBondContact O-N 3.09Å; F707-Q710 PolarHBondContact O-N 2.97Å; F707-L711 HydrophobicContact CE1-CB 4.47Å; F707-L711 HydrophobicContact CE1-CD2 3.97Å; F707-L711 HydrophobicContact CZ-CB 4.4Å; F707-L711 HydrophobicContact CZ-CD1 4.27Å; F707-L711 HydrophobicContact CZ-CD2 3.96Å; F707-L711 HydrophobicContact CZ-CG 4.45Å; F707-L711 VanDerWaalsContact O-CB 3.29Å; F707-L711 WeakPolarHBondContact O-CB 3.19Å; F707-L711 PolarHBondContact O-N 2.94Å
708F94.6Very high88.4Confident0 Ų021.8 Ų21.80%011%0.109CC..Hα-helixtrans-64.4-37.2177.3-72.6-37.4000113N667 V704 L705 S706 R712 I745 F746 K749 L770N667-F708 HydrophobicContact CB-CZ 4.38Å; V704-F708 HydrophobicContact CG1-CD2 4.02Å; V704-F708 HydrophobicContact CG1-CE2 3.61Å; V704-F708 HydrophobicContact CG1-CZ 4.21Å; V704-F708 PolarHBondContact O-N 3.36Å; L705-F708 PolarHBondContact O-N 3.17Å; S706-F708 VanDerWaalsContact C-N 3.32Å; S706-F708 PolarHBondContact O-N 3.43Å; F708-R712 VanDerWaalsContact O-CB 3.27Å; F708-R712 WeakPolarHBondContact O-CB 3.43Å; F708-R712 PolarHBondContact O-N 2.95Å; F708-I745 HydrophobicContact CE1-CG2 4.15Å; F708-I745 HydrophobicContact CZ-CG2 3.93Å; F708-F746 HydrophobicContact CB-CD1 4.33Å; F708-F746 HydrophobicContact CB-CE1 4.09Å; F708-F746 HydrophobicContact CB-CZ 4.4Å; F708-F746 AromaticContact CD1-CD1 3.63Å; F708-F746 HydrophobicContact CD1-CD1 3.63Å; F708-F746 AromaticContact CD1-CE1 3.25Å; F708-F746 HydrophobicContact CD1-CE1 3.25Å; F708-F746 HydrophobicContact CD1-CZ 4.18Å; F708-F746 AromaticContact CE1-CD1 3.98Å; F708-F746 HydrophobicContact CE1-CD1 3.98Å; F708-F746 AromaticContact CE1-CE1 3.82Å; F708-F746 HydrophobicContact CE1-CE1 3.82Å; F708-F746 AromaticContact CG-CD1 3.94Å; F708-F746 HydrophobicContact CG-CD1 3.94Å; F708-F746 AromaticContact CG-CE1 3.86Å; F708-F746 HydrophobicContact CG-CE1 3.86Å; F708-K749 HydrophobicContact CD2-CB 4.4Å; F708-K749 HydrophobicContact CD2-CG 4.09Å; F708-K749 HydrophobicContact CE2-CB 3.86Å; F708-K749 HydrophobicContact CE2-CD 4.35Å; F708-K749 HydrophobicContact CE2-CG 3.69Å; F708-L770 HydrophobicContact CB-CD2 4.15Å
709E91.8Very high87.2Confident6 Ų629.1 Ų29.13%0.02815%0.148CC..Hα-helixtrans-61.2-44.4173.1-71.6172.3-165.400111.8L705 S706 F707 R713 R766 L770L705-E709 WeakPolarHBondContact O-CG 3.4Å; L705-E709 PolarHBondContact O-N 3.33Å; S706-E709 WeakPolarHBondContact O-CB 3.46Å; S706-E709 PolarHBondContact O-N 3.21Å; F707-E709 VanDerWaalsContact C-N 3.34Å; F707-E709 PolarHBondContact O-N 3.09Å; E709-R713 WeakPolarHBondContact O-CG 3.43Å; E709-R713 PolarHBondContact O-N 3.19Å; E709-R766 IonicContact OE1-CZ 2.76Å; E709-R766 IonicContact OE1-NE 3.74Å; E709-R766 PolarHBondContact OE1-NE 3.45Å; E709-R766 IonicContact OE1-NH2 3.69Å; E709-R766 PolarHBondContact OE1-NH2 2.84Å; E709-R766 IonicContact OE2-CZ 2.68Å; E709-R766 IonicContact OE2-NH2 3.75Å; E709-R766 PolarHBondContact OE2-NH2 3.44Å; E709-L770 HydrophobicContact CG-CD1 4.19Å
710Q89.7Confident86Confident31 Ų3130.7 Ų30.715%0.14516%0.158CC..Hα-helixtrans-69.6-42.7177.6-62.9-59.1-1.700112.3G640 S706 F707 R712 R713 V714G640-Q710 WeakPolarHBondContact O-CB 3.49Å; S706-Q710 WeakPolarHBondContact O-CG 3.46Å; S706-Q710 PolarHBondContact O-N 3.33Å; F707-Q710 PolarHBondContact O-N 2.97Å; Q710-R712 VanDerWaalsContact C-N 3.3Å; Q710-R712 PolarHBondContact O-N 3.23Å; Q710-R713 PolarHBondContact O-N 3.39Å; Q710-V714 PolarHBondContact O-N 3.21Å
711L90.6Very high84.6Confident1 Ų133 Ų331%0.00518%0.182CC..Hα-helixtrans-60.2-42.8176.7-171.572.8000110.9I643 A660 F707 R713 V714 Y715 F726 F746I643-L711 HydrophobicContact CD1-CD1 4.11Å; I643-L711 HydrophobicContact CG2-CD1 4.43Å; A660-L711 HydrophobicContact CB-CD1 4.25Å; F707-L711 HydrophobicContact CE1-CB 4.47Å; F707-L711 HydrophobicContact CE1-CD2 3.97Å; F707-L711 HydrophobicContact CZ-CB 4.4Å; F707-L711 HydrophobicContact CZ-CD1 4.27Å; F707-L711 HydrophobicContact CZ-CD2 3.96Å; F707-L711 HydrophobicContact CZ-CG 4.45Å; F707-L711 VanDerWaalsContact O-CB 3.29Å; F707-L711 WeakPolarHBondContact O-CB 3.19Å; F707-L711 PolarHBondContact O-N 2.94Å; L711-R713 PolarHBondContact O-N 2.47Å; L711-V714 PolarHBondContact O-N 3.18Å; L711-Y715 HydrophobicContact CD1-CD2 3.82Å; L711-Y715 PolarHBondContact O-N 3.4Å; L711-F726 HydrophobicContact CD1-CE2 4.25Å; L711-F726 HydrophobicContact CD1-CZ 3.81Å; L711-F746 HydrophobicContact CB-CZ 4.4Å; L711-F746 HydrophobicContact CD2-CE1 4Å; L711-F746 HydrophobicContact CD2-CZ 4.04Å; L711-F746 HydrophobicContact CG-CZ 4.43Å
712R89.4Confident82.8Confident32 Ų3242.9 Ų42.912%0.12122%0.219CC..Hα-helixtrans-59.6-47.6176.1-168.8-162.667.7-147.5-4.8111.5F708 Q710 V714 V716 F746 E773 L774F708-R712 VanDerWaalsContact O-CB 3.27Å; F708-R712 WeakPolarHBondContact O-CB 3.43Å; F708-R712 PolarHBondContact O-N 2.95Å; Q710-R712 VanDerWaalsContact C-N 3.3Å; Q710-R712 PolarHBondContact O-N 3.23Å; R712-V714 PolarHBondContact O-N 3.16Å; R712-V716 HydrophobicContact CB-CB 4.35Å; R712-V716 HydrophobicContact CG-CB 3.73Å; R712-V716 HydrophobicContact CG-CG1 4.05Å; R712-V716 HydrophobicContact CG-CG2 4.32Å; R712-V716 PolarHBondContact O-N 2.96Å; R712-V716 VanDerWaalsContact O-O 3.08Å; R712-F746 HydrophobicContact CB-CE2 3.71Å; R712-F746 HydrophobicContact CB-CZ 4.27Å; R712-F746 HydrophobicContact CG-CE2 3.99Å; R712-E773 IonicContact CZ-OE2 2.89Å; R712-E773 IonicContact NH1-OE2 3.61Å; R712-E773 PolarHBondContact NH1-OE2 3.37Å; R712-E773 VanDerWaalsContact NH2-CD 3.3Å; R712-E773 IonicContact NH2-OE1 3.28Å; R712-E773 IonicContact NH2-OE2 2.69Å; R712-E773 PolarHBondContact NH2-OE2 2.89Å; R712-L774 HydrophobicContact CG-CD2 4.15Å
713R84.5Confident81.1Confident111 Ų11150.9 Ų50.942%0.41926%0.261SS..Hα-helixtrans-56.8-32.9-177.7-73.7175.3-158-172.810.9112.7E506 E709 Q710 L711E506-R713 IonicContact OE1-CZ 3.32Å; E506-R713 IonicContact OE1-NH1 2.84Å; E506-R713 IonicContact OE1-NH2 3.51Å; E506-R713 PolarHBondContact OE1-NH2 3.45Å; E709-R713 WeakPolarHBondContact O-CG 3.43Å; E709-R713 PolarHBondContact O-N 3.19Å; Q710-R713 PolarHBondContact O-N 3.39Å; L711-R713 PolarHBondContact O-N 2.47Å
714V83.7Confident80.2Confident37 Ų3751.8 Ų51.822%0.22427%0.268CS..Hα-helixtrans-97.3-43.2-174.4-178.20000112.6I643 Q710 L711 R712 V720I643-V714 HydrophobicContact CG2-CB 4.23Å; I643-V714 HydrophobicContact CG2-CG2 4.16Å; Q710-V714 PolarHBondContact O-N 3.21Å; L711-V714 PolarHBondContact O-N 3.18Å; R712-V714 PolarHBondContact O-N 3.16Å; V714-V720 WeakPolarHBondContact O-CG2 3.18Å
715Y84.9Confident79.5Confident5 Ų556.6 Ų56.62%0.0229%0.289CS..Hα-helixtrans-114.6-5-167.7-74.4-64.6000115.8I643 R646 D653 D656 L711 V720 F726 Y727I643-Y715 HydrophobicContact CG2-CD2 4.39Å; I643-Y715 HydrophobicContact CG2-CE2 4.29Å; R646-Y715 VanDerWaalsContact CZ-OH 3.29Å; R646-Y715 PolarHBondContact NH1-OH 3.48Å; R646-Y715 VanDerWaalsContact NH1-OH 3.11Å; R646-Y715 PolarHBondContact NH2-OH 3.18Å; D653-Y715 PolarHBondContact OD1-OH 2.96Å; D656-Y715 HydrophobicContact CB-CE2 4.13Å; D656-Y715 WeakPolarHBondContact CB-OH 3.41Å; L711-Y715 HydrophobicContact CD1-CD2 3.82Å; L711-Y715 PolarHBondContact O-N 3.4Å; Y715-V720 HydrophobicContact CD1-CG1 4.04Å; Y715-F726 HydrophobicContact CD1-CB 4.32Å; Y715-F726 AromaticContact CD1-CD1 3.61Å; Y715-F726 HydrophobicContact CD1-CD1 3.61Å; Y715-F726 HydrophobicContact CD1-CD2 4.41Å; Y715-F726 HydrophobicContact CD1-CE1 4Å; Y715-F726 AromaticContact CD1-CG 3.86Å; Y715-F726 HydrophobicContact CD1-CG 3.86Å; Y715-F726 HydrophobicContact CD2-CD1 4.2Å; Y715-F726 HydrophobicContact CD2-CD2 4.04Å; Y715-F726 AromaticContact CD2-CE1 3.92Å; Y715-F726 HydrophobicContact CD2-CE1 3.92Å; Y715-F726 AromaticContact CD2-CE2 3.77Å; Y715-F726 HydrophobicContact CD2-CE2 3.77Å; Y715-F726 HydrophobicContact CD2-CG 4.26Å; Y715-F726 AromaticContact CD2-CZ 3.72Å; Y715-F726 HydrophobicContact CD2-CZ 3.72Å; Y715-F726 HydrophobicContact CE1-CB 3.57Å; Y715-F726 AromaticContact CE1-CD1 3.71Å; Y715-F726 HydrophobicContact CE1-CD1 3.71Å; Y715-F726 AromaticContact CE1-CD2 3.89Å; Y715-F726 HydrophobicContact CE1-CD2 3.89Å; Y715-F726 HydrophobicContact CE1-CE1 4.39Å; Y715-F726 AromaticContact CE1-CG 3.43Å; Y715-F726 HydrophobicContact CE1-CG 3.43Å; Y715-F726 VanDerWaalsContact CE1-CG 3.43Å; Y715-F726 HydrophobicContact CE2-CD1 4.23Å; Y715-F726 AromaticContact CE2-CD2 3.39Å; Y715-F726 HydrophobicContact CE2-CD2 3.39Å; Y715-F726 HydrophobicContact CE2-CE1 4.26Å; Y715-F726 AromaticContact CE2-CE2 3.45Å; Y715-F726 HydrophobicContact CE2-CE2 3.45Å; Y715-F726 VanDerWaalsContact CE2-CE2 3.45Å; Y715-F726 AromaticContact CE2-CG 3.83Å; Y715-F726 HydrophobicContact CE2-CG 3.83Å; Y715-F726 AromaticContact CE2-CZ 3.92Å; Y715-F726 HydrophobicContact CE2-CZ 3.92Å; Y715-F726 AromaticContact CG-CD1 3.84Å; Y715-F726 HydrophobicContact CG-CD1 3.84Å; Y715-F726 HydrophobicContact CG-CD2 4.46Å; Y715-F726 AromaticContact CG-CE1 3.72Å; Y715-F726 HydrophobicContact CG-CE1 3.72Å; Y715-F726 HydrophobicContact CG-CE2 4.38Å; Y715-F726 HydrophobicContact CG-CG 4.23Å; Y715-F726 HydrophobicContact CG-CZ 4.03Å; Y715-F726 AromaticContact CZ-CD1 3.96Å; Y715-F726 AromaticContact CZ-CD2 3.27Å; Y715-F726 AromaticContact CZ-CE2 3.87Å; Y715-F726 AromaticContact CZ-CG 3.35Å; Y715-F726 WeakPolarHBondContact OH-CD2 3.26Å; Y715-Y727 PolarHBondContact O-OH 2.92Å
716V79.8Confident79.1Confident26 Ų2656.6 Ų56.616%0.15829%0.289CS..SBendtrans-117.696.2178.4-177.40000109.1R712 E739 I742 L743 F746R712-V716 HydrophobicContact CB-CB 4.35Å; R712-V716 HydrophobicContact CG-CB 3.73Å; R712-V716 HydrophobicContact CG-CG1 4.05Å; R712-V716 HydrophobicContact CG-CG2 4.32Å; R712-V716 PolarHBondContact O-N 2.96Å; R712-V716 VanDerWaalsContact O-O 3.08Å; V716-E739 HydrophobicContact CG1-CG 4.44Å; V716-I742 HydrophobicContact CG2-CG2 3.97Å; V716-L743 HydrophobicContact CG1-CD2 3.71Å; V716-L743 HydrophobicContact CG1-CG 4.44Å; V716-F746 HydrophobicContact CG2-CE2 3.93Å; V716-F746 HydrophobicContact CG2-CZ 4.19Å
717G74.4Confident78.8Confident31 Ų3156.7 Ų56.732%0.3229%0.288SS..SBendtrans176.2168-179.900000112.3N719 V720G717-N719 PolarHBondContact O-N 2.55Å; G717-V720 PolarHBondContact O-N 3.3Å
718E65.7Low78.3Confident150 Ų15062.5 Ų62.570%0.70132%0.315SS*.THydrogen-bonded Turntrans-63.2-25.9-173.9-64.2-178.3171.900113.7V720 S779E718-V720 VanDerWaalsContact C-N 3.35Å; E718-V720 PolarHBondContact O-N 3.25Å; E718-S779 WeakPolarHBondContact OE1-CB 3.38Å; E718-S779 PolarHBondContact OE1-OG 3.49Å
719N62.9Low77.9Confident165 Ų16563.5 Ų63.588%0.88232%0.322SS*.THydrogen-bonded Turntrans-84.6-3.9-175.4-64.5-19.6000114.1G717 G721G717-N719 PolarHBondContact O-N 2.55Å; N719-G721 PolarHBondContact O-N 3.47Å
720V64.7Low77.7Confident36 Ų3663.2 Ų63.222%0.21832%0.321CS..  trans-89.9106.2-175.6-173.10000109.1V714 Y715 G717 E718 R722 Y727V714-V720 WeakPolarHBondContact O-CG2 3.18Å; Y715-V720 HydrophobicContact CD1-CG1 4.04Å; G717-V720 PolarHBondContact O-N 3.3Å; E718-V720 VanDerWaalsContact C-N 3.35Å; E718-V720 PolarHBondContact O-N 3.25Å; V720-R722 PolarHBondContact O-N 3.28Å; V720-Y727 HydrophobicContact CG1-CE2 3.97Å
721G63.9Low77.7Confident49 Ų4964 Ų6451%0.50533%0.329SS..  trans-62.7130.2177.700000111.7N719 L723 S724N719-G721 PolarHBondContact O-N 3.47Å; G721-L723 PolarHBondContact O-N 3.46Å; G721-S724 WeakPolarHBondContact O-CB 3.14Å; G721-S724 PolarHBondContact O-N 3.49Å
722R54.9Low77.5Confident206 Ų20669.8 Ų69.878%0.77736%0.36SS*.THydrogen-bonded Turntrans-54.1-22.1174.3-76-177.2175.8-175.2-5.5114.2V720 S724V720-R722 PolarHBondContact O-N 3.28Å; R722-S724 PolarHBondContact O-N 3.37Å
723L56.2Low77.4Confident177 Ų17772.7 Ų72.793%0.92737%0.374SS*.THydrogen-bonded Turntrans-8613.9178.9-68.3163.2000113G721G721-L723 PolarHBondContact O-N 3.46Å
724S74.1Confident77.6Confident19 Ų1968.6 Ų68.613%0.13336%0.36CS..  trans-68.1136.5174.472.60000109.9G721 R722 F726 Y727 Q728G721-S724 WeakPolarHBondContact O-CB 3.14Å; G721-S724 PolarHBondContact O-N 3.49Å; R722-S724 PolarHBondContact O-N 3.37Å; S724-F726 PolarHBondContact O-N 2.81Å; S724-Y727 PolarHBondContact O-N 3Å; S724-Y727 VanDerWaalsContact O-N 3.08Å; S724-Y727 VanDerWaalsContact OG-CD2 3.27Å; S724-Y727 WeakPolarHBondContact OG-CD2 3.26Å; S724-Q728 PolarHBondContact O-N 3.11Å
725K81.5Confident77.7Confident100 Ų10068.8 Ų68.844%0.43537%0.369SS..Hα-helixtrans-57.4-20.1177-66.8169.6155.3-146.30112.4D653 E654 Q728 C729D653-K725 HydrophobicContact CB-CB 3.96Å; E654-K725 HydrophobicContact CG-CB 3.8Å; E654-K725 HydrophobicContact CG-CD 4.09Å; E654-K725 HydrophobicContact CG-CG 4.45Å; E654-K725 VanDerWaalsContact OE1-CD 3.29Å; E654-K725 WeakPolarHBondContact OE1-CD 3.32Å; E654-K725 WeakPolarHBondContact OE1-CE 3.3Å; E654-K725 IonicContact OE1-NZ 2.68Å; E654-K725 PolarHBondContact OE1-NZ 3.48Å; K725-Q728 PolarHBondContact O-N 2.85Å; K725-C729 WeakPolarHBondContact O-CB 3.49Å; K725-C729 PolarHBondContact O-N 3.22Å
726F85.7Confident77.8Confident0 Ų068.6 Ų68.60%037%0.369CS..Hα-helixtrans-60.2-52.5173.7173.8-97.9000112.1D653 D656 A660 L711 Y715 S724 Q728 C729 L730 I742D653-F726 HydrophobicContact CB-CB 3.97Å; D653-F726 WeakPolarHBondContact O-CA 3.47Å; D656-F726 HydrophobicContact CB-CD2 4.24Å; A660-F726 HydrophobicContact CB-CE2 3.86Å; A660-F726 HydrophobicContact CB-CZ 4.16Å; L711-F726 HydrophobicContact CD1-CE2 4.25Å; L711-F726 HydrophobicContact CD1-CZ 3.81Å; Y715-F726 HydrophobicContact CD1-CB 4.32Å; Y715-F726 AromaticContact CD1-CD1 3.61Å; Y715-F726 HydrophobicContact CD1-CD1 3.61Å; Y715-F726 HydrophobicContact CD1-CD2 4.41Å; Y715-F726 HydrophobicContact CD1-CE1 4Å; Y715-F726 AromaticContact CD1-CG 3.86Å; Y715-F726 HydrophobicContact CD1-CG 3.86Å; Y715-F726 HydrophobicContact CD2-CD1 4.2Å; Y715-F726 HydrophobicContact CD2-CD2 4.04Å; Y715-F726 AromaticContact CD2-CE1 3.92Å; Y715-F726 HydrophobicContact CD2-CE1 3.92Å; Y715-F726 AromaticContact CD2-CE2 3.77Å; Y715-F726 HydrophobicContact CD2-CE2 3.77Å; Y715-F726 HydrophobicContact CD2-CG 4.26Å; Y715-F726 AromaticContact CD2-CZ 3.72Å; Y715-F726 HydrophobicContact CD2-CZ 3.72Å; Y715-F726 HydrophobicContact CE1-CB 3.57Å; Y715-F726 AromaticContact CE1-CD1 3.71Å; Y715-F726 HydrophobicContact CE1-CD1 3.71Å; Y715-F726 AromaticContact CE1-CD2 3.89Å; Y715-F726 HydrophobicContact CE1-CD2 3.89Å; Y715-F726 HydrophobicContact CE1-CE1 4.39Å; Y715-F726 AromaticContact CE1-CG 3.43Å; Y715-F726 HydrophobicContact CE1-CG 3.43Å; Y715-F726 VanDerWaalsContact CE1-CG 3.43Å; Y715-F726 HydrophobicContact CE2-CD1 4.23Å; Y715-F726 AromaticContact CE2-CD2 3.39Å; Y715-F726 HydrophobicContact CE2-CD2 3.39Å; Y715-F726 HydrophobicContact CE2-CE1 4.26Å; Y715-F726 AromaticContact CE2-CE2 3.45Å; Y715-F726 HydrophobicContact CE2-CE2 3.45Å; Y715-F726 VanDerWaalsContact CE2-CE2 3.45Å; Y715-F726 AromaticContact CE2-CG 3.83Å; Y715-F726 HydrophobicContact CE2-CG 3.83Å; Y715-F726 AromaticContact CE2-CZ 3.92Å; Y715-F726 HydrophobicContact CE2-CZ 3.92Å; Y715-F726 AromaticContact CG-CD1 3.84Å; Y715-F726 HydrophobicContact CG-CD1 3.84Å; Y715-F726 HydrophobicContact CG-CD2 4.46Å; Y715-F726 AromaticContact CG-CE1 3.72Å; Y715-F726 HydrophobicContact CG-CE1 3.72Å; Y715-F726 HydrophobicContact CG-CE2 4.38Å; Y715-F726 HydrophobicContact CG-CG 4.23Å; Y715-F726 HydrophobicContact CG-CZ 4.03Å; Y715-F726 AromaticContact CZ-CD1 3.96Å; Y715-F726 AromaticContact CZ-CD2 3.27Å; Y715-F726 AromaticContact CZ-CE2 3.87Å; Y715-F726 AromaticContact CZ-CG 3.35Å; Y715-F726 WeakPolarHBondContact OH-CD2 3.26Å; S724-F726 PolarHBondContact O-N 2.81Å; F726-Q728 VanDerWaalsContact C-N 3.3Å; F726-Q728 PolarHBondContact O-N 2.96Å; F726-C729 WeakPolarHBondContact O-CB 3.49Å; F726-C729 PolarHBondContact O-N 3.3Å; F726-L730 HydrophobicContact CD1-CD1 3.9Å; F726-L730 HydrophobicContact CE1-CD1 3.24Å; F726-L730 HydrophobicContact CE1-CG 4.35Å; F726-L730 HydrophobicContact CE2-CD1 4.18Å; F726-L730 HydrophobicContact CZ-CD1 3.39Å; F726-L730 HydrophobicContact CZ-CG 4.23Å; F726-L730 PolarHBondContact O-N 2.89Å; F726-I742 HydrophobicContact CE1-CD1 3.94Å
727Y85.8Confident77.9Confident8 Ų870.8 Ų70.83%0.03139%0.385CS..Hα-helixtrans-68-32.4178.1-78.5-73.2000111.7Y715 V720 S724 L730 S731 I742Y715-Y727 PolarHBondContact O-OH 2.92Å; V720-Y727 HydrophobicContact CG1-CE2 3.97Å; S724-Y727 PolarHBondContact O-N 3Å; S724-Y727 VanDerWaalsContact O-N 3.08Å; S724-Y727 VanDerWaalsContact OG-CD2 3.27Å; S724-Y727 WeakPolarHBondContact OG-CD2 3.26Å; Y727-L730 HydrophobicContact CD1-CD1 4.48Å; Y727-L730 PolarHBondContact O-N 3.16Å; Y727-S731 VanDerWaalsContact O-CB 3.28Å; Y727-S731 WeakPolarHBondContact O-CB 3.47Å; Y727-S731 PolarHBondContact O-N 3.49Å; Y727-I742 HydrophobicContact CD1-CD1 4.15Å; Y727-I742 HydrophobicContact CE1-CD1 3.3Å; Y727-I742 HydrophobicContact CE1-CG1 4.01Å
728Q85.4Confident78.2Confident123 Ų12371.5 Ų71.558%0.57538%0.381SS*.Hα-helixtrans-61.7-47.9172.7-172.2172.32.900111.4S724 K725 F726 L730 S731 D732S724-Q728 PolarHBondContact O-N 3.11Å; K725-Q728 PolarHBondContact O-N 2.85Å; F726-Q728 VanDerWaalsContact C-N 3.3Å; F726-Q728 PolarHBondContact O-N 2.96Å; Q728-L730 PolarHBondContact O-N 3.11Å; Q728-S731 WeakPolarHBondContact O-CB 3.46Å; Q728-S731 PolarHBondContact O-N 3.28Å; Q728-D732 VanDerWaalsContact O-CG 3.22Å; Q728-D732 PolarHBondContact O-N 3.24Å
729C86.3Confident79.2Confident20 Ų2065.9 Ų65.914%0.13536%0.355CS..Hα-helixtrans-59.4-43.9176.4-1740000112.5K725 F726 D732 K733K725-C729 WeakPolarHBondContact O-CB 3.49Å; K725-C729 PolarHBondContact O-N 3.22Å; F726-C729 WeakPolarHBondContact O-CB 3.49Å; F726-C729 PolarHBondContact O-N 3.3Å; C729-D732 PolarHBondContact O-N 3.1Å; C729-K733 PolarHBondContact O-N 3.21Å; C729-K733 VanDerWaalsContact O-N 3.11Å
730L88.5Confident80.3Confident1 Ų160 Ų601%0.00532%0.323CS..Hα-helixtrans-64.9-37.6176-79173.9000112.9C661 I664 F726 Y727 Q728 L734 G735 I736 I742C661-L730 VanDerWaalsContact SG-CD2 3.57Å; I664-L730 HydrophobicContact CD1-CD2 4.03Å; F726-L730 HydrophobicContact CD1-CD1 3.9Å; F726-L730 HydrophobicContact CE1-CD1 3.24Å; F726-L730 HydrophobicContact CE1-CG 4.35Å; F726-L730 HydrophobicContact CE2-CD1 4.18Å; F726-L730 HydrophobicContact CZ-CD1 3.39Å; F726-L730 HydrophobicContact CZ-CG 4.23Å; F726-L730 PolarHBondContact O-N 2.89Å; Y727-L730 HydrophobicContact CD1-CD1 4.48Å; Y727-L730 PolarHBondContact O-N 3.16Å; Q728-L730 PolarHBondContact O-N 3.11Å; L730-L734 HydrophobicContact CD2-CD1 4.23Å; L730-L734 CarbonylContact O-C 3.59Å; L730-L734 WeakPolarHBondContact O-CA 3.47Å; L730-L734 WeakPolarHBondContact O-CB 3.42Å; L730-L734 PolarHBondContact O-N 2.87Å; L730-G735 PolarHBondContact O-N 3.45Å; L730-I736 CarbonylContact C-O 3.6Å; L730-I736 HydrophobicContact CB-CB 4.18Å; L730-I736 HydrophobicContact CD2-CD1 4.41Å; L730-I736 PolarHBondContact O-N 3.4Å; L730-I742 HydrophobicContact CD1-CD1 3.78Å
731S87.8Confident81.5Confident46 Ų4662.1 Ų62.132%0.32233%0.332SS..Hα-helixtrans-63.9-46176-176.20000110.6Y727 Q728 K733 G735 I736Y727-S731 VanDerWaalsContact O-CB 3.28Å; Y727-S731 WeakPolarHBondContact O-CB 3.47Å; Y727-S731 PolarHBondContact O-N 3.49Å; Q728-S731 WeakPolarHBondContact O-CB 3.46Å; Q728-S731 PolarHBondContact O-N 3.28Å; S731-K733 PolarHBondContact O-N 2.92Å; S731-G735 WeakPolarHBondContact O-CA 3.43Å; S731-G735 PolarHBondContact O-N 2.86Å; S731-I736 WeakPolarHBondContact CA-O 3.48Å; S731-I736 PolarHBondContact N-O 2.93Å
732D87.7Confident82.8Confident123 Ų12359.9 Ų59.966%0.65831%0.308SS*.Hα-helixtrans-66.7-38-177.5-65-20.4000112.4Q728 C729Q728-D732 VanDerWaalsContact O-CG 3.22Å; Q728-D732 PolarHBondContact O-N 3.24Å; C729-D732 PolarHBondContact O-N 3.1Å
733K88Confident84.5Confident94 Ų9450.1 Ų50.141%0.40927%0.271SS..Hα-helixtrans-92.8-36.4-175.9-69.1-170.9176.7-173.10114.8E658 C661 C729 S731E658-K733 VanDerWaalsContact CD-NZ 3.3Å; E658-K733 IonicContact OE1-NZ 3.67Å; E658-K733 PolarHBondContact OE1-NZ 3.43Å; C661-K733 HydrophobicContact CB-CB 4.5Å; C661-K733 HydrophobicContact CB-CD 4.21Å; C729-K733 PolarHBondContact O-N 3.21Å; C729-K733 VanDerWaalsContact O-N 3.11Å; S731-K733 PolarHBondContact O-N 2.92Å
734L87.5Confident86.2Confident25 Ų2544.4 Ų44.413%0.13124%0.242CC..Hα-helixtrans-123.3-4.4-172.7-64.1-178.8000114.1C661 I664 Q665 L730 I736C661-L734 HydrophobicContact CB-CD1 4.1Å; C661-L734 HydrophobicContact CB-CG 4.37Å; I664-L734 HydrophobicContact CB-CD1 3.88Å; I664-L734 HydrophobicContact CD1-CD1 4.3Å; I664-L734 HydrophobicContact CG2-CD1 3.71Å; Q665-L734 HydrophobicContact CG-CD2 3.59Å; L730-L734 HydrophobicContact CD2-CD1 4.23Å; L730-L734 CarbonylContact O-C 3.59Å; L730-L734 WeakPolarHBondContact O-CA 3.47Å; L730-L734 WeakPolarHBondContact O-CB 3.42Å; L730-L734 PolarHBondContact O-N 2.87Å; L734-I736 HydrophobicContact CB-CD1 3.69Å; L734-I736 HydrophobicContact CB-CG1 3.95Å; L734-I736 HydrophobicContact CD1-CD1 3.78Å; L734-I736 HydrophobicContact CG-CD1 4.41Å; L734-I736 PolarHBondContact O-N 3.34Å
735G86.5Confident87.1Confident40 Ų4044.5 Ų44.541%0.41224%0.24SC..  trans72.913.2-174.300000114.1L730 S731 S737 M741L730-G735 PolarHBondContact O-N 3.45Å; S731-G735 WeakPolarHBondContact O-CA 3.43Å; S731-G735 PolarHBondContact O-N 2.86Å; G735-S737 PolarHBondContact O-N 3.35Å; G735-M741 VanDerWaalsContact O-CE 3.24Å; G735-M741 WeakPolarHBondContact O-CE 3.42Å
736I86.4Confident87.7Confident2 Ų239.8 Ų39.81%0.0122%0.22CC..  trans-89102.1-178.8-59.6162.2000108.2I664 L730 S731 L734 M741 I742 I745I664-I736 HydrophobicContact CD1-CD1 4.28Å; I664-I736 HydrophobicContact CG2-CD1 4.43Å; L730-I736 CarbonylContact C-O 3.6Å; L730-I736 HydrophobicContact CB-CB 4.18Å; L730-I736 HydrophobicContact CD2-CD1 4.41Å; L730-I736 PolarHBondContact O-N 3.4Å; S731-I736 WeakPolarHBondContact CA-O 3.48Å; S731-I736 PolarHBondContact N-O 2.93Å; L734-I736 HydrophobicContact CB-CD1 3.69Å; L734-I736 HydrophobicContact CB-CG1 3.95Å; L734-I736 HydrophobicContact CD1-CD1 3.78Å; L734-I736 HydrophobicContact CG-CD1 4.41Å; L734-I736 PolarHBondContact O-N 3.34Å; I736-M741 HydrophobicContact CB-CB 4.5Å; I736-M741 HydrophobicContact CG2-CB 3.78Å; I736-I742 HydrophobicContact CG2-CD1 4.48Å; I736-I742 HydrophobicContact CG2-CG1 3.63Å; I736-I745 HydrophobicContact CD1-CD1 3.32Å; I736-I745 HydrophobicContact CG1-CD1 4.06Å
737S82.1Confident88.2Confident71 Ų7139.8 Ų39.850%0.49722%0.22SC..  trans-97.1-18.8-172.858.90000114.4G735G735-S737 PolarHBondContact O-N 3.35Å
738D81.5Confident88.6Confident46 Ų4642.8 Ų42.825%0.24624%0.236CC..SBendtrans-143170.4-173.774.44.5000114.1M740 M741 I742D738-M740 PolarHBondContact O-N 2.72Å; D738-M740 WeakPolarHBondContact OD1-CB 3.28Å; D738-M740 PolarHBondContact OD1-N 3.47Å; D738-M740 VanDerWaalsContact OD1-N 3.17Å; D738-M741 PolarHBondContact O-N 3.26Å; D738-M741 WeakPolarHBondContact OD1-CB 3.33Å; D738-M741 VanDerWaalsContact OD1-CG 3.25Å; D738-M741 WeakPolarHBondContact OD1-CG 3.38Å; D738-M741 PolarHBondContact OD1-N 2.95Å; D738-I742 PolarHBondContact O-N 3.43Å
739E85.4Confident89Confident33 Ų3337 Ų3715%0.15421%0.209CC..Hα-helixtrans-60.9-32.2176.4-174.4-167.8156.800112.2V716 I742 L743 K783V716-E739 HydrophobicContact CG1-CG 4.44Å; E739-I742 PolarHBondContact O-N 3.23Å; E739-L743 HydrophobicContact CG-CD1 4.35Å; E739-L743 HydrophobicContact CG-CG 4.49Å; E739-L743 VanDerWaalsContact O-CG 3.32Å; E739-L743 WeakPolarHBondContact O-CG 3.3Å; E739-L743 PolarHBondContact O-N 3.25Å; E739-K783 IonicContact OE1-NZ 3.19Å; E739-K783 PolarHBondContact OE1-NZ 3.01Å; E739-K783 IonicContact OE2-NZ 2.7Å; E739-K783 PolarHBondContact OE2-NZ 2.97Å
740M87.7Confident89.4Confident42 Ų4236 Ų3621%0.20720%0.203CC..Hα-helixtrans-64.4-42.9179.7-77.5-70.8-70.700111.4D738 I742 L743 D744 K783 R786 L787D738-M740 PolarHBondContact O-N 2.72Å; D738-M740 WeakPolarHBondContact OD1-CB 3.28Å; D738-M740 PolarHBondContact OD1-N 3.47Å; D738-M740 VanDerWaalsContact OD1-N 3.17Å; M740-I742 VanDerWaalsContact C-N 3.33Å; M740-I742 PolarHBondContact O-N 2.93Å; M740-L743 PolarHBondContact O-N 2.82Å; M740-D744 PolarHBondContact O-N 3.11Å; M740-K783 WeakPolarHBondContact CE-O 3.05Å; M740-K783 HydrophobicContact SD-CB 3.59Å; M740-K783 VanDerWaalsContact SD-CB 3.59Å; M740-K783 HydrophobicContact SD-CG 4.04Å; M740-R786 HydrophobicContact CE-CB 3.62Å; M740-L787 HydrophobicContact CE-CD2 3.82Å; M740-L787 HydrophobicContact CE-CG 4.37Å
741M89.2Confident89.7Confident80 Ų8036.4 Ų36.439%0.39421%0.205SC..Hα-helixtrans-65.4-35.4176-67.8-179.991.700112G735 I736 D738 D744 I745G735-M741 VanDerWaalsContact O-CE 3.24Å; G735-M741 WeakPolarHBondContact O-CE 3.42Å; I736-M741 HydrophobicContact CB-CB 4.5Å; I736-M741 HydrophobicContact CG2-CB 3.78Å; D738-M741 PolarHBondContact O-N 3.26Å; D738-M741 WeakPolarHBondContact OD1-CB 3.33Å; D738-M741 VanDerWaalsContact OD1-CG 3.25Å; D738-M741 WeakPolarHBondContact OD1-CG 3.38Å; D738-M741 PolarHBondContact OD1-N 2.95Å; M741-D744 PolarHBondContact O-N 2.84Å; M741-I745 WeakPolarHBondContact O-CG1 3.5Å; M741-I745 PolarHBondContact O-N 3.47Å
742I90Very high89.8Confident1 Ų134.6 Ų34.61%0.00519%0.192CC..Hα-helixtrans-65.9-44.7172.2-66.5-171.4000111V716 F726 Y727 L730 I736 D738 E739 M740 D744 I745 F746V716-I742 HydrophobicContact CG2-CG2 3.97Å; F726-I742 HydrophobicContact CE1-CD1 3.94Å; Y727-I742 HydrophobicContact CD1-CD1 4.15Å; Y727-I742 HydrophobicContact CE1-CD1 3.3Å; Y727-I742 HydrophobicContact CE1-CG1 4.01Å; L730-I742 HydrophobicContact CD1-CD1 3.78Å; I736-I742 HydrophobicContact CG2-CD1 4.48Å; I736-I742 HydrophobicContact CG2-CG1 3.63Å; D738-I742 PolarHBondContact O-N 3.43Å; E739-I742 PolarHBondContact O-N 3.23Å; M740-I742 VanDerWaalsContact C-N 3.33Å; M740-I742 PolarHBondContact O-N 2.93Å; I742-D744 VanDerWaalsContact C-N 3.27Å; I742-D744 PolarHBondContact O-N 3.11Å; I742-I745 WeakPolarHBondContact O-CB 3.4Å; I742-I745 PolarHBondContact O-N 3.34Å; I742-I745 VanDerWaalsContact O-N 3.13Å; I742-F746 HydrophobicContact CG2-CD1 4.35Å; I742-F746 HydrophobicContact CG2-CE1 3.79Å; I742-F746 HydrophobicContact CG2-CE2 4.35Å; I742-F746 HydrophobicContact CG2-CZ 3.82Å; I742-F746 PolarHBondContact O-N 3.22Å; I742-F746 VanDerWaalsContact O-N 3.08Å
743L91.1Very high90Very high1 Ų128.7 Ų28.71%0.00516%0.16CC..Hα-helixtrans-59.7-40176.3-71.7173.9000111.1V716 E739 M740 I745 F746 I747 L774 K783 L784 L787V716-L743 HydrophobicContact CG1-CD2 3.71Å; V716-L743 HydrophobicContact CG1-CG 4.44Å; E739-L743 HydrophobicContact CG-CD1 4.35Å; E739-L743 HydrophobicContact CG-CG 4.49Å; E739-L743 VanDerWaalsContact O-CG 3.32Å; E739-L743 WeakPolarHBondContact O-CG 3.3Å; E739-L743 PolarHBondContact O-N 3.25Å; M740-L743 PolarHBondContact O-N 2.82Å; L743-I745 VanDerWaalsContact C-N 3.32Å; L743-I745 PolarHBondContact O-N 2.71Å; L743-F746 WeakPolarHBondContact O-CB 3.19Å; L743-F746 PolarHBondContact O-N 3.27Å; L743-F746 VanDerWaalsContact O-N 3.15Å; L743-I747 WeakPolarHBondContact O-CG1 3.48Å; L743-I747 PolarHBondContact O-N 2.92Å; L743-L774 HydrophobicContact CD2-CD2 3.95Å; L743-K783 HydrophobicContact CD1-CB 3.97Å; L743-K783 HydrophobicContact CD1-CD 4.33Å; L743-L784 HydrophobicContact CB-CD2 4.31Å; L743-L784 HydrophobicContact CD1-CD2 4.42Å; L743-L784 HydrophobicContact CD2-CD2 4.15Å; L743-L787 HydrophobicContact CB-CD1 3.95Å
744D92.8Very high90.1Very high58 Ų5824.2 Ų24.231%0.3114%0.141SC..Hα-helixtrans-61.5-38.6175.2-170.347.4000112.6M740 M741 I742 F746 I747 N748 L787 N789M740-D744 PolarHBondContact O-N 3.11Å; M741-D744 PolarHBondContact O-N 2.84Å; I742-D744 VanDerWaalsContact C-N 3.27Å; I742-D744 PolarHBondContact O-N 3.11Å; D744-F746 VanDerWaalsContact C-N 3.34Å; D744-F746 PolarHBondContact O-N 2.82Å; D744-I747 PolarHBondContact O-N 3.5Å; D744-N748 VanDerWaalsContact O-CB 3.27Å; D744-N748 WeakPolarHBondContact O-CB 3.49Å; D744-N748 PolarHBondContact O-N 2.96Å; D744-L787 HydrophobicContact CB-CD1 4.48Å; D744-L787 HydrophobicContact CB-CD2 3.94Å; D744-N789 PolarHBondContact OD1-ND2 2.98Å
745I93.2Very high90.2Very high21 Ų2126.1 Ų26.111%0.10815%0.148CC..Hα-helixtrans-61.6-43.1173.7-67.1164.7000111.1I664 F708 I736 M741 I742 L743 N748 K749I664-I745 HydrophobicContact CG2-CD1 4.08Å; F708-I745 HydrophobicContact CE1-CG2 4.15Å; F708-I745 HydrophobicContact CZ-CG2 3.93Å; I736-I745 HydrophobicContact CD1-CD1 3.32Å; I736-I745 HydrophobicContact CG1-CD1 4.06Å; M741-I745 WeakPolarHBondContact O-CG1 3.5Å; M741-I745 PolarHBondContact O-N 3.47Å; I742-I745 WeakPolarHBondContact O-CB 3.4Å; I742-I745 PolarHBondContact O-N 3.34Å; I742-I745 VanDerWaalsContact O-N 3.13Å; L743-I745 VanDerWaalsContact C-N 3.32Å; L743-I745 PolarHBondContact O-N 2.71Å; I745-N748 PolarHBondContact O-N 3.15Å; I745-K749 WeakPolarHBondContact O-CB 3.39Å; I745-K749 PolarHBondContact O-N 3.33Å
746F94Very high90.1Very high1 Ų128.5 Ų28.50%0.00415%0.145CC..Hα-helixtrans-63.3-44.9177.6-69.94.7000111.1F708 L711 R712 V716 I742 L743 D744 K749 I750 L774F708-F746 HydrophobicContact CB-CD1 4.33Å; F708-F746 HydrophobicContact CB-CE1 4.09Å; F708-F746 HydrophobicContact CB-CZ 4.4Å; F708-F746 AromaticContact CD1-CD1 3.63Å; F708-F746 HydrophobicContact CD1-CD1 3.63Å; F708-F746 AromaticContact CD1-CE1 3.25Å; F708-F746 HydrophobicContact CD1-CE1 3.25Å; F708-F746 HydrophobicContact CD1-CZ 4.18Å; F708-F746 AromaticContact CE1-CD1 3.98Å; F708-F746 HydrophobicContact CE1-CD1 3.98Å; F708-F746 AromaticContact CE1-CE1 3.82Å; F708-F746 HydrophobicContact CE1-CE1 3.82Å; F708-F746 AromaticContact CG-CD1 3.94Å; F708-F746 HydrophobicContact CG-CD1 3.94Å; F708-F746 AromaticContact CG-CE1 3.86Å; F708-F746 HydrophobicContact CG-CE1 3.86Å; L711-F746 HydrophobicContact CB-CZ 4.4Å; L711-F746 HydrophobicContact CD2-CE1 4Å; L711-F746 HydrophobicContact CD2-CZ 4.04Å; L711-F746 HydrophobicContact CG-CZ 4.43Å; R712-F746 HydrophobicContact CB-CE2 3.71Å; R712-F746 HydrophobicContact CB-CZ 4.27Å; R712-F746 HydrophobicContact CG-CE2 3.99Å; V716-F746 HydrophobicContact CG2-CE2 3.93Å; V716-F746 HydrophobicContact CG2-CZ 4.19Å; I742-F746 HydrophobicContact CG2-CD1 4.35Å; I742-F746 HydrophobicContact CG2-CE1 3.79Å; I742-F746 HydrophobicContact CG2-CE2 4.35Å; I742-F746 HydrophobicContact CG2-CZ 3.82Å; I742-F746 PolarHBondContact O-N 3.22Å; I742-F746 VanDerWaalsContact O-N 3.08Å; L743-F746 WeakPolarHBondContact O-CB 3.19Å; L743-F746 PolarHBondContact O-N 3.27Å; L743-F746 VanDerWaalsContact O-N 3.15Å; D744-F746 VanDerWaalsContact C-N 3.34Å; D744-F746 PolarHBondContact O-N 2.82Å; F746-K749 WeakPolarHBondContact O-CB 3.34Å; F746-K749 PolarHBondContact O-N 3.47Å; F746-I750 WeakPolarHBondContact O-CG1 3.39Å; F746-I750 PolarHBondContact O-N 3.33Å; F746-L774 HydrophobicContact CB-CD1 4.3Å; F746-L774 HydrophobicContact CD2-CD1 4.24Å; F746-L774 HydrophobicContact CD2-CD2 4.28Å
747I94.8Very high90.1Very high0 Ų028.5 Ų28.50%015%0.145CC..Hα-helixtrans-68.9-39.6-179.6-60.7-43.5000111.4L743 D744 K749 I750 L751 L771 L774 L784 L787 N789 I790 I793L743-I747 WeakPolarHBondContact O-CG1 3.48Å; L743-I747 PolarHBondContact O-N 2.92Å; D744-I747 PolarHBondContact O-N 3.5Å; I747-K749 VanDerWaalsContact C-N 3.29Å; I747-K749 PolarHBondContact O-N 3.02Å; I747-I750 HydrophobicContact CD1-CD1 3.89Å; I747-I750 PolarHBondContact O-N 3.25Å; I747-L751 WeakPolarHBondContact O-CB 3.38Å; I747-L751 PolarHBondContact O-N 2.93Å; I747-L771 HydrophobicContact CD1-CD1 4.5Å; I747-L774 HydrophobicContact CD1-CD1 4.1Å; I747-L784 HydrophobicContact CD1-CD2 3.89Å; I747-L784 HydrophobicContact CG1-CD2 3.93Å; I747-L787 HydrophobicContact CB-CD1 4.5Å; I747-L787 HydrophobicContact CG1-CD1 3.87Å; I747-N789 HydrophobicContact CB-CB 4.42Å; I747-N789 HydrophobicContact CG2-CB 3.48Å; I747-N789 VanDerWaalsContact CG2-CB 3.48Å; I747-I790 HydrophobicContact CB-CD1 4.38Å; I747-I790 HydrophobicContact CD1-CD1 3.63Å; I747-I790 HydrophobicContact CD1-CG1 4.33Å; I747-I790 HydrophobicContact CG1-CD1 3.75Å; I747-I790 HydrophobicContact CG1-CG1 3.92Å; I747-I790 HydrophobicContact CG2-CD1 3.65Å; I747-I790 HydrophobicContact CG2-CG1 3.9Å; I747-I793 HydrophobicContact CG2-CD1 4.25Å
748N94.7Very high89.8Confident70 Ų7027.4 Ų27.437%0.37413%0.133SC..Hα-helixtrans-61.4-39.9175-170.99.2000111.1D744 I745 L751 T752D744-N748 VanDerWaalsContact O-CB 3.27Å; D744-N748 WeakPolarHBondContact O-CB 3.49Å; D744-N748 PolarHBondContact O-N 2.96Å; I745-N748 PolarHBondContact O-N 3.15Å; N748-L751 PolarHBondContact O-N 3.46Å; N748-T752 WeakPolarHBondContact O-CB 3.37Å; N748-T752 PolarHBondContact O-N 3.09Å; N748-T752 PolarHBondContact O-OG1 3.47Å
749K95Very high89.5Confident1 Ų129.1 Ų29.10%0.00415%0.146CC..Hα-helixtrans-61.7-49.3172.5-177.159.7156.4176.10112.1N667 E701 L705 F708 I745 F746 I747 L751 T752 N753N667-K749 VanDerWaalsContact OD1-CD 3.28Å; N667-K749 WeakPolarHBondContact OD1-CD 3.49Å; N667-K749 WeakPolarHBondContact OD1-CE 3.33Å; N667-K749 PolarHBondContact OD1-NZ 2.97Å; E701-K749 WeakPolarHBondContact OE1-CE 3.33Å; E701-K749 IonicContact OE1-NZ 3.62Å; E701-K749 PolarHBondContact OE1-NZ 2.92Å; E701-K749 IonicContact OE2-NZ 3.58Å; E701-K749 PolarHBondContact OE2-NZ 2.99Å; L705-K749 HydrophobicContact CD2-CG 4.42Å; F708-K749 HydrophobicContact CD2-CB 4.4Å; F708-K749 HydrophobicContact CD2-CG 4.09Å; F708-K749 HydrophobicContact CE2-CB 3.86Å; F708-K749 HydrophobicContact CE2-CD 4.35Å; F708-K749 HydrophobicContact CE2-CG 3.69Å; I745-K749 WeakPolarHBondContact O-CB 3.39Å; I745-K749 PolarHBondContact O-N 3.33Å; F746-K749 WeakPolarHBondContact O-CB 3.34Å; F746-K749 PolarHBondContact O-N 3.47Å; I747-K749 VanDerWaalsContact C-N 3.29Å; I747-K749 PolarHBondContact O-N 3.02Å; K749-L751 VanDerWaalsContact C-N 3.29Å; K749-L751 PolarHBondContact O-N 2.95Å; K749-T752 PolarHBondContact O-N 3.04Å; K749-N753 WeakPolarHBondContact O-CB 3.48Å; K749-N753 PolarHBondContact O-N 2.99Å; K749-N753 PolarHBondContact O-OD1 3.25Å
750I94.6Very high89.4Confident0 Ų028.3 Ų28.30%014%0.144CC..Hα-helixtrans-56.4-46.8177.6-72.5160.8000110.3F746 I747 T752 N753 L754 T767 L770 L771 L774F746-I750 WeakPolarHBondContact O-CG1 3.39Å; F746-I750 PolarHBondContact O-N 3.33Å; I747-I750 HydrophobicContact CD1-CD1 3.89Å; I747-I750 PolarHBondContact O-N 3.25Å; I750-T752 PolarHBondContact O-N 3.31Å; I750-N753 PolarHBondContact O-N 3.23Å; I750-L754 HydrophobicContact CG2-CD1 3.91Å; I750-L754 HydrophobicContact CG2-CG 4.32Å; I750-L754 VanDerWaalsContact O-CG 3.28Å; I750-L754 WeakPolarHBondContact O-CG 3.31Å; I750-L754 PolarHBondContact O-N 3.21Å; I750-T767 HydrophobicContact CB-CG2 4.09Å; I750-T767 HydrophobicContact CG1-CG2 4Å; I750-T767 HydrophobicContact CG2-CG2 3.97Å; I750-L770 HydrophobicContact CD1-CD2 4.21Å; I750-L770 HydrophobicContact CD1-CG 4.15Å; I750-L770 HydrophobicContact CG1-CD2 4.26Å; I750-L771 HydrophobicContact CD1-CB 4.06Å; I750-L771 HydrophobicContact CD1-CD1 4.37Å; I750-L771 HydrophobicContact CG2-CB 4.35Å; I750-L771 HydrophobicContact CG2-CD2 4.38Å; I750-L774 HydrophobicContact CD1-CD1 4.01Å
751L93.1Very high89.2Confident10 Ų1029 Ų295%0.05215%0.146CC..Hα-helixtrans-61.5-46.3-179.8-173.771.3000111.9I747 N748 K749 N753 L754 K755 F792 I793 F802I747-L751 WeakPolarHBondContact O-CB 3.38Å; I747-L751 PolarHBondContact O-N 2.93Å; N748-L751 PolarHBondContact O-N 3.46Å; K749-L751 VanDerWaalsContact C-N 3.29Å; K749-L751 PolarHBondContact O-N 2.95Å; L751-N753 VanDerWaalsContact C-N 3.31Å; L751-N753 PolarHBondContact O-N 3.25Å; L751-L754 PolarHBondContact O-N 3.37Å; L751-K755 HydrophobicContact CG-CD 4.26Å; L751-K755 WeakPolarHBondContact O-CB 3.41Å; L751-K755 VanDerWaalsContact O-CG 3.32Å; L751-K755 WeakPolarHBondContact O-CG 3.45Å; L751-K755 PolarHBondContact O-N 3.28Å; L751-K755 VanDerWaalsContact O-N 3.11Å; L751-F792 HydrophobicContact CD1-CD1 3.74Å; L751-F792 HydrophobicContact CD1-CE1 3.94Å; L751-F792 HydrophobicContact CD2-CD1 4.38Å; L751-I793 HydrophobicContact CD1-CD1 4.23Å; L751-I793 HydrophobicContact CD1-CG1 3.78Å; L751-F802 HydrophobicContact CD1-CE1 3.8Å; L751-F802 HydrophobicContact CD1-CZ 4Å
752T90.9Very high88.9Confident7 Ų726.1 Ų26.14%0.04313%0.134CC..Hα-helixtrans-59.6-44.6176-57.80000110.4T671 N748 K749 I750 L754 K755 Y756T671-T752 HydrophobicContact CG2-CG2 4.06Å; N748-T752 WeakPolarHBondContact O-CB 3.37Å; N748-T752 PolarHBondContact O-N 3.09Å; N748-T752 PolarHBondContact O-OG1 3.47Å; K749-T752 PolarHBondContact O-N 3.04Å; I750-T752 PolarHBondContact O-N 3.31Å; T752-L754 PolarHBondContact O-N 3.49Å; T752-K755 PolarHBondContact O-N 3.31Å; T752-Y756 HydrophobicContact CG2-CD2 3.8Å; T752-Y756 HydrophobicContact CG2-CE2 4.23Å; T752-Y756 VanDerWaalsContact O-CD2 3.29Å; T752-Y756 WeakPolarHBondContact O-CD2 3.34Å; T752-Y756 PolarHBondContact O-N 3.24Å
753N92.2Very high88.9Confident0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-65.6-43.3-178.5-72.711.3000112.8E701 K749 I750 L751 K755 W757 I763 T767E701-N753 VanDerWaalsContact OE1-CG 3.26Å; E701-N753 PolarHBondContact OE1-ND2 3.07Å; E701-N753 PolarHBondContact OE1-OD1 2.91Å; K749-N753 WeakPolarHBondContact O-CB 3.48Å; K749-N753 PolarHBondContact O-N 2.99Å; K749-N753 PolarHBondContact O-OD1 3.25Å; I750-N753 PolarHBondContact O-N 3.23Å; L751-N753 VanDerWaalsContact C-N 3.31Å; L751-N753 PolarHBondContact O-N 3.25Å; N753-K755 VanDerWaalsContact C-N 3.26Å; N753-K755 PolarHBondContact O-N 3.48Å; N753-W757 WeakPolarHBondContact O-CB 3.24Å; N753-W757 PolarHBondContact O-N 3.28Å; N753-I763 HydrophobicContact CB-CG2 4.38Å; N753-T767 HydrophobicContact CB-CG2 3.67Å; N753-T767 PolarHBondContact ND2-OG1 3.04Å
754L90.7Very high88.9Confident0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-66.5-26.7176.8-64.5179000113.3I750 L751 T752 L764 T767 L768 F802 F804 F826I750-L754 HydrophobicContact CG2-CD1 3.91Å; I750-L754 HydrophobicContact CG2-CG 4.32Å; I750-L754 VanDerWaalsContact O-CG 3.28Å; I750-L754 WeakPolarHBondContact O-CG 3.31Å; I750-L754 PolarHBondContact O-N 3.21Å; L751-L754 PolarHBondContact O-N 3.37Å; T752-L754 PolarHBondContact O-N 3.49Å; L754-L764 HydrophobicContact CD2-CD2 3.98Å; L754-T767 HydrophobicContact CD2-CG2 4.31Å; L754-T767 HydrophobicContact CG-CG2 4.34Å; L754-L768 HydrophobicContact CD1-CD2 4.45Å; L754-L768 HydrophobicContact CD2-CD2 3.81Å; L754-L768 HydrophobicContact CD2-CG 4.09Å; L754-F802 HydrophobicContact CB-CD1 3.74Å; L754-F802 HydrophobicContact CB-CE1 4.08Å; L754-F802 HydrophobicContact CD1-CE1 4.42Å; L754-F804 HydrophobicContact CB-CE1 4.4Å; L754-F804 HydrophobicContact CD2-CD1 4.3Å; L754-F804 HydrophobicContact CD2-CE1 3.8Å; L754-F804 HydrophobicContact CD2-CZ 4.32Å; L754-F826 HydrophobicContact CD1-CD2 4.26Å; L754-F826 HydrophobicContact CD1-CE2 3.87Å
755K87.9Confident88.8Confident64 Ų6425.7 Ų25.728%0.27813%0.13SC..Hα-helixtrans-79.4-50.2178.1-77.9176.5177.3179.90112.7L751 T752 N753 Y801L751-K755 HydrophobicContact CG-CD 4.26Å; L751-K755 WeakPolarHBondContact O-CB 3.41Å; L751-K755 VanDerWaalsContact O-CG 3.32Å; L751-K755 WeakPolarHBondContact O-CG 3.45Å; L751-K755 PolarHBondContact O-N 3.28Å; L751-K755 VanDerWaalsContact O-N 3.11Å; T752-K755 PolarHBondContact O-N 3.31Å; N753-K755 VanDerWaalsContact C-N 3.26Å; N753-K755 PolarHBondContact O-N 3.48Å; K755-Y801 WeakPolarHBondContact CG-O 3.47Å
756Y85.2Confident88.6Confident90 Ų9025.1 Ų25.135%0.35313%0.127SC..Hα-helixtrans-100.6-27.9-166.8-63.1-78.6000114.3I674 T675 T752 N758I674-Y756 HydrophobicContact CG2-CD1 3.93Å; I674-Y756 HydrophobicContact CG2-CD2 3.81Å; I674-Y756 HydrophobicContact CG2-CE1 4.47Å; I674-Y756 HydrophobicContact CG2-CE2 4.38Å; I674-Y756 HydrophobicContact CG2-CG 3.56Å; T675-Y756 HydrophobicContact CG2-CE2 3.86Å; T752-Y756 HydrophobicContact CG2-CD2 3.8Å; T752-Y756 HydrophobicContact CG2-CE2 4.23Å; T752-Y756 VanDerWaalsContact O-CD2 3.29Å; T752-Y756 WeakPolarHBondContact O-CD2 3.34Å; T752-Y756 PolarHBondContact O-N 3.24Å; Y756-N758 VanDerWaalsContact C-N 3.33Å; Y756-N758 PolarHBondContact O-N 2.78Å
757W85.4Confident88.7Confident2 Ų225.1 Ų25.11%0.00813%0.127CC..  trans-95.443.2-175.3-67.289.3000113.3I674 T692 M697 I698 E701 N753 T759 C760 I763 L764I674-W757 HydrophobicContact CD1-CZ2 4.39Å; T692-W757 WeakPolarHBondContact O-CZ3 3.31Å; M697-W757 HydrophobicContact CB-CH2 4.28Å; M697-W757 HydrophobicContact CG-CH2 3.67Å; M697-W757 HydrophobicContact CG-CZ2 3.86Å; I698-W757 HydrophobicContact CD1-CZ3 4.29Å; I698-W757 HydrophobicContact CG1-CE3 4.37Å; I698-W757 HydrophobicContact CG1-CH2 3.95Å; I698-W757 HydrophobicContact CG1-CZ3 3.4Å; I698-W757 VanDerWaalsContact CG1-CZ3 3.4Å; E701-W757 HydrophobicContact CB-CZ2 4.14Å; E701-W757 HydrophobicContact CG-CZ2 3.95Å; N753-W757 WeakPolarHBondContact O-CB 3.24Å; N753-W757 PolarHBondContact O-N 3.28Å; W757-T759 VanDerWaalsContact C-N 3.33Å; W757-T759 PolarHBondContact O-N 3.39Å; W757-C760 HydrophobicContact CE3-CB 4.08Å; W757-C760 PolarHBondContact O-N 3.22Å; W757-I763 HydrophobicContact CB-CG2 3.97Å; W757-I763 HydrophobicContact CD2-CD1 3.55Å; W757-I763 HydrophobicContact CD2-CG2 4.4Å; W757-I763 HydrophobicContact CE3-CD1 3.25Å; W757-I763 HydrophobicContact CG-CD1 4.23Å; W757-I763 HydrophobicContact CG-CG2 4Å; W757-I763 HydrophobicContact CH2-CD1 3.94Å; W757-I763 HydrophobicContact CZ2-CD1 4.22Å; W757-I763 HydrophobicContact CZ3-CD1 3.47Å; W757-I763 VanDerWaalsContact CZ3-CD1 3.47Å; W757-L764 WeakPolarHBondContact O-CG 3.41Å
758N76.8Confident88.6Confident48 Ų4825.1 Ų25.126%0.25713%0.127SC..THydrogen-bonded Turntrans-68.2-22.9-167.763.541.5000115.6Y756 P803Y756-N758 VanDerWaalsContact C-N 3.33Å; Y756-N758 PolarHBondContact O-N 2.78Å; N758-P803 HydrophobicContact CB-CB 3.78Å; N758-P803 HydrophobicContact CB-CG 4.48Å
759T75.1Confident88.5Confident83 Ų8323.9 Ų23.951%0.50912%0.12SC..THydrogen-bonded Turntrans-95.7-13178.753.40000113.5W757 E761W757-T759 VanDerWaalsContact C-N 3.33Å; W757-T759 PolarHBondContact O-N 3.39Å; T759-E761 PolarHBondContact O-N 3.4Å
760C83.1Confident88.4Confident15 Ų1523.8 Ų23.810%0.10112%0.12CC..  trans-94.297.7-171.9-167.10000111.7W757 S762 I763 L764W757-C760 HydrophobicContact CE3-CB 4.08Å; W757-C760 PolarHBondContact O-N 3.22Å; C760-S762 VanDerWaalsContact C-N 3.33Å; C760-S762 PolarHBondContact O-N 3.03Å; C760-S762 PolarHBondContact SG-OG 2.94Å; C760-S762 VanDerWaalsContact SG-OG 3.34Å; C760-I763 HydrophobicContact CB-CB 4.3Å; C760-I763 HydrophobicContact CB-CD1 4.19Å; C760-I763 HydrophobicContact CB-CG1 4.5Å; C760-I763 PolarHBondContact O-N 3.19Å; C760-L764 WeakPolarHBondContact O-CG 3.41Å; C760-L764 PolarHBondContact O-N 3.01Å; C760-L764 VanDerWaalsContact O-N 3.09Å
761E83.2Confident88.4Confident56 Ų5623.9 Ų23.926%0.26212%0.12SC..Hα-helixtrans-56.3-43.2-178.7-175.7-175.3141.300112.5R500 T759 L764 Q765 T818R500-E761 IonicContact CZ-OE1 3.41Å; R500-E761 IonicContact CZ-OE2 2.81Å; R500-E761 IonicContact NE-OE1 3.72Å; R500-E761 PolarHBondContact NE-OE1 3.34Å; R500-E761 IonicContact NH2-OE1 3.63Å; R500-E761 PolarHBondContact NH2-OE1 3.29Å; R500-E761 VanDerWaalsContact NH2-OE1 3.1Å; R500-E761 IonicContact NH2-OE2 2.83Å; R500-E761 PolarHBondContact NH2-OE2 2.84Å; T759-E761 PolarHBondContact O-N 3.4Å; E761-L764 PolarHBondContact O-N 3.08Å; E761-Q765 WeakPolarHBondContact O-CB 3.5Å; E761-Q765 PolarHBondContact O-N 3.28Å; E761-T818 WeakPolarHBondContact OE1-CG2 3.37Å
762S84.2Confident88.4Confident20 Ų2024.5 Ų24.514%0.1413%0.125CC..Hα-helixtrans-63.3-46.6-175.6540000112.2C760 R766C760-S762 VanDerWaalsContact C-N 3.33Å; C760-S762 PolarHBondContact O-N 3.03Å; C760-S762 PolarHBondContact SG-OG 2.94Å; C760-S762 VanDerWaalsContact SG-OG 3.34Å; S762-R766 PolarHBondContact O-N 3.3Å; S762-R766 VanDerWaalsContact O-N 3.15Å
763I89.1Confident88.4Confident0 Ų026.5 Ų26.50%013%0.134CC..Hα-helixtrans-66.1-47.7177.4-67.3169.9000110.3I698 E701 L702 L705 N753 W757 C760 Q765 R766 T767I698-I763 HydrophobicContact CB-CD1 4.28Å; I698-I763 HydrophobicContact CG1-CD1 4.07Å; I698-I763 HydrophobicContact CG2-CD1 4Å; I698-I763 HydrophobicContact CG2-CG1 4.35Å; E701-I763 HydrophobicContact CB-CD1 4Å; E701-I763 HydrophobicContact CG-CD1 3.71Å; E701-I763 HydrophobicContact CG-CG1 4.14Å; E701-I763 HydrophobicContact CG-CG2 4.11Å; L702-I763 HydrophobicContact CD2-CG1 3.95Å; L702-I763 HydrophobicContact CG-CG1 4.12Å; L705-I763 HydrophobicContact CD1-CG2 4.15Å; N753-I763 HydrophobicContact CB-CG2 4.38Å; W757-I763 HydrophobicContact CB-CG2 3.97Å; W757-I763 HydrophobicContact CD2-CD1 3.55Å; W757-I763 HydrophobicContact CD2-CG2 4.4Å; W757-I763 HydrophobicContact CE3-CD1 3.25Å; W757-I763 HydrophobicContact CG-CD1 4.23Å; W757-I763 HydrophobicContact CG-CG2 4Å; W757-I763 HydrophobicContact CH2-CD1 3.94Å; W757-I763 HydrophobicContact CZ2-CD1 4.22Å; W757-I763 HydrophobicContact CZ3-CD1 3.47Å; W757-I763 VanDerWaalsContact CZ3-CD1 3.47Å; C760-I763 HydrophobicContact CB-CB 4.3Å; C760-I763 HydrophobicContact CB-CD1 4.19Å; C760-I763 HydrophobicContact CB-CG1 4.5Å; C760-I763 PolarHBondContact O-N 3.19Å; I763-Q765 VanDerWaalsContact C-N 3.32Å; I763-Q765 PolarHBondContact O-N 3.26Å; I763-R766 PolarHBondContact O-N 3.45Å; I763-T767 VanDerWaalsContact O-CB 3.22Å; I763-T767 WeakPolarHBondContact O-CB 3.34Å; I763-T767 PolarHBondContact O-N 2.99Å; I763-T767 PolarHBondContact O-OG1 3.39Å
764L90.1Very high88.3Confident0 Ų026.9 Ų26.90%014%0.136CC..Hα-helixtrans-60.7-42179-69.7173.3000111.7L754 W757 C760 E761 R766 T767 L768 F804 L822L754-L764 HydrophobicContact CD2-CD2 3.98Å; W757-L764 WeakPolarHBondContact O-CG 3.41Å; C760-L764 WeakPolarHBondContact O-CG 3.41Å; C760-L764 PolarHBondContact O-N 3.01Å; C760-L764 VanDerWaalsContact O-N 3.09Å; E761-L764 PolarHBondContact O-N 3.08Å; L764-R766 PolarHBondContact O-N 2.96Å; L764-T767 PolarHBondContact O-N 3.11Å; L764-L768 WeakPolarHBondContact O-CB 3.27Å; L764-L768 VanDerWaalsContact O-CG 3.25Å; L764-L768 WeakPolarHBondContact O-CG 3.24Å; L764-L768 PolarHBondContact O-N 3.36Å; L764-F804 HydrophobicContact CD1-CB 3.87Å; L764-F804 HydrophobicContact CD1-CG 4.38Å; L764-L822 HydrophobicContact CB-CD1 3.66Å; L764-L822 HydrophobicContact CD1-CD1 4.41Å
765Q91Very high88.3Confident51 Ų5126.9 Ų26.924%0.23814%0.136CC..Hα-helixtrans-60.9-46.4178.5-18060.182.700111.8E761 I763 N769 L822E761-Q765 WeakPolarHBondContact O-CB 3.5Å; E761-Q765 PolarHBondContact O-N 3.28Å; I763-Q765 VanDerWaalsContact C-N 3.32Å; I763-Q765 PolarHBondContact O-N 3.26Å; Q765-N769 PolarHBondContact NE2-ND2 3.23Å; Q765-N769 PolarHBondContact NE2-OD1 3.06Å; Q765-N769 WeakPolarHBondContact O-CB 3.28Å; Q765-N769 PolarHBondContact O-N 3.34Å; Q765-N769 PolarHBondContact O-ND2 2.85Å; Q765-N769 PolarHBondContact O-OD1 2.84Å; Q765-L822 HydrophobicContact CB-CD2 3.89Å; Q765-L822 VanDerWaalsContact CD-CD2 3.4Å; Q765-L822 HydrophobicContact CG-CD2 4.23Å
766R90.4Very high88.3Confident10 Ų1029.3 Ų29.34%0.03815%0.151CC..Hα-helixtrans-70.4-41.3178.1-69.2-161.972.9-1789.3112.7L702 L705 S706 E709 S762 I763 L764 L768 N769 L770L702-R766 HydrophobicContact CD2-CG 4.32Å; L702-R766 PolarHBondContact O-NH1 3.45Å; L705-R766 HydrophobicContact CD1-CB 3.89Å; S706-R766 VanDerWaalsContact CA-NH2 3.29Å; S706-R766 PolarHBondContact OG-NH1 3.37Å; S706-R766 PolarHBondContact OG-NH2 3Å; E709-R766 IonicContact OE1-CZ 2.76Å; E709-R766 IonicContact OE1-NE 3.74Å; E709-R766 PolarHBondContact OE1-NE 3.45Å; E709-R766 IonicContact OE1-NH2 3.69Å; E709-R766 PolarHBondContact OE1-NH2 2.84Å; E709-R766 IonicContact OE2-CZ 2.68Å; E709-R766 IonicContact OE2-NH2 3.75Å; E709-R766 PolarHBondContact OE2-NH2 3.44Å; S762-R766 PolarHBondContact O-N 3.3Å; S762-R766 VanDerWaalsContact O-N 3.15Å; I763-R766 PolarHBondContact O-N 3.45Å; L764-R766 PolarHBondContact O-N 2.96Å; R766-L768 VanDerWaalsContact C-N 3.31Å; R766-L768 PolarHBondContact O-N 3.06Å; R766-N769 PolarHBondContact O-N 2.94Å; R766-L770 PolarHBondContact O-N 3.3Å
767T94.7Very high88.2Confident0 Ų026.5 Ų26.50%015%0.149CC..Hα-helixtrans-57.1-44.9175-57.80000111.3I750 N753 L754 I763 L764 L770 L771I750-T767 HydrophobicContact CB-CG2 4.09Å; I750-T767 HydrophobicContact CG1-CG2 4Å; I750-T767 HydrophobicContact CG2-CG2 3.97Å; N753-T767 HydrophobicContact CB-CG2 3.67Å; N753-T767 PolarHBondContact ND2-OG1 3.04Å; L754-T767 HydrophobicContact CD2-CG2 4.31Å; L754-T767 HydrophobicContact CG-CG2 4.34Å; I763-T767 VanDerWaalsContact O-CB 3.22Å; I763-T767 WeakPolarHBondContact O-CB 3.34Å; I763-T767 PolarHBondContact O-N 2.99Å; I763-T767 PolarHBondContact O-OG1 3.39Å; L764-T767 PolarHBondContact O-N 3.11Å; T767-L770 PolarHBondContact O-N 3.29Å; T767-L771 PolarHBondContact O-N 2.86Å; T767-L771 VanDerWaalsContact O-N 3.07Å
768L93.4Very high88Confident0 Ų032 Ų320%017%0.174CC..Hα-helixtrans-74.8-30.1178.6-70.1171.7000113.2L754 L764 R766 L771 S772 F804 L822 T825 F826L754-L768 HydrophobicContact CD1-CD2 4.45Å; L754-L768 HydrophobicContact CD2-CD2 3.81Å; L754-L768 HydrophobicContact CD2-CG 4.09Å; L764-L768 WeakPolarHBondContact O-CB 3.27Å; L764-L768 VanDerWaalsContact O-CG 3.25Å; L764-L768 WeakPolarHBondContact O-CG 3.24Å; L764-L768 PolarHBondContact O-N 3.36Å; R766-L768 VanDerWaalsContact C-N 3.31Å; R766-L768 PolarHBondContact O-N 3.06Å; L768-L771 HydrophobicContact CD2-CD2 4.37Å; L768-S772 VanDerWaalsContact O-CB 3.22Å; L768-S772 WeakPolarHBondContact O-CB 3.42Å; L768-S772 PolarHBondContact O-N 3.19Å; L768-F804 HydrophobicContact CD1-CE2 4.46Å; L768-L822 HydrophobicContact CD1-CB 3.59Å; L768-L822 HydrophobicContact CD1-CD1 4.48Å; L768-L822 HydrophobicContact CD1-CD2 4.28Å; L768-L822 HydrophobicContact CD1-CG 4.34Å; L768-T825 HydrophobicContact CB-CG2 4.37Å; L768-F826 HydrophobicContact CD1-CB 4.39Å; L768-F826 HydrophobicContact CD2-CB 3.75Å; L768-F826 HydrophobicContact CD2-CD2 3.6Å; L768-F826 HydrophobicContact CD2-CG 4.13Å
769N92.2Very high88.3Confident44 Ų4431.7 Ų31.724%0.23518%0.175CC..Hα-helixtrans-63.6-44.2170.1-73-15.1000110.6Q765 R766 S772 E773Q765-N769 PolarHBondContact NE2-ND2 3.23Å; Q765-N769 PolarHBondContact NE2-OD1 3.06Å; Q765-N769 WeakPolarHBondContact O-CB 3.28Å; Q765-N769 PolarHBondContact O-N 3.34Å; Q765-N769 PolarHBondContact O-ND2 2.85Å; Q765-N769 PolarHBondContact O-OD1 2.84Å; R766-N769 PolarHBondContact O-N 2.94Å; N769-S772 PolarHBondContact O-N 3.07Å; N769-E773 WeakPolarHBondContact O-CB 3.44Å; N769-E773 WeakPolarHBondContact O-CG 3.19Å; N769-E773 PolarHBondContact O-N 3.41Å
770L92.7Very high88.7Confident0 Ų029 Ų290%016%0.161CC..Hα-helixtrans-59.4-47.9175.7-178.861.1000111.4L705 F708 E709 I750 R766 T767 S772 E773 L774L705-L770 HydrophobicContact CD2-CD2 4.35Å; F708-L770 HydrophobicContact CB-CD2 4.15Å; E709-L770 HydrophobicContact CG-CD1 4.19Å; I750-L770 HydrophobicContact CD1-CD2 4.21Å; I750-L770 HydrophobicContact CD1-CG 4.15Å; I750-L770 HydrophobicContact CG1-CD2 4.26Å; R766-L770 PolarHBondContact O-N 3.3Å; T767-L770 PolarHBondContact O-N 3.29Å; L770-S772 PolarHBondContact O-N 3.13Å; L770-E773 PolarHBondContact O-N 3.22Å; L770-L774 HydrophobicContact CD1-CD1 4.38Å; L770-L774 HydrophobicContact CG-CD1 4.22Å; L770-L774 WeakPolarHBondContact O-CB 3.44Å; L770-L774 VanDerWaalsContact O-CG 3.27Å; L770-L774 WeakPolarHBondContact O-CG 3.37Å; L770-L774 PolarHBondContact O-N 3.39Å
771L94.7Very high88.9Confident1 Ų129.1 Ų29.11%0.00516%0.16CC..Hα-helixtrans-60.7-42.9174.5-179.662.2000112.2I747 I750 T767 L768 L774 S775 I790 F826I747-L771 HydrophobicContact CD1-CD1 4.5Å; I750-L771 HydrophobicContact CD1-CB 4.06Å; I750-L771 HydrophobicContact CD1-CD1 4.37Å; I750-L771 HydrophobicContact CG2-CB 4.35Å; I750-L771 HydrophobicContact CG2-CD2 4.38Å; T767-L771 PolarHBondContact O-N 2.86Å; T767-L771 VanDerWaalsContact O-N 3.07Å; L768-L771 HydrophobicContact CD2-CD2 4.37Å; L771-L774 PolarHBondContact O-N 3.27Å; L771-S775 WeakPolarHBondContact O-CB 3.22Å; L771-S775 PolarHBondContact O-N 3.37Å; L771-S775 VanDerWaalsContact O-N 3.11Å; L771-S775 PolarHBondContact O-OG 3.42Å; L771-I790 HydrophobicContact CD1-CD1 4.49Å; L771-F826 HydrophobicContact CD2-CD2 4.23Å; L771-F826 HydrophobicContact CD2-CE2 4.47Å
772S93.2Very high89.2Confident23 Ų2333.4 Ų33.416%0.16117%0.174CC..Hα-helixtrans-63.7-43.6179.3-179.20000111.5L768 N769 L770 S775 I776 S829 R832L768-S772 VanDerWaalsContact O-CB 3.22Å; L768-S772 WeakPolarHBondContact O-CB 3.42Å; L768-S772 PolarHBondContact O-N 3.19Å; N769-S772 PolarHBondContact O-N 3.07Å; L770-S772 PolarHBondContact O-N 3.13Å; S772-S775 WeakPolarHBondContact CA-OG 3.19Å; S772-S775 PolarHBondContact O-N 2.94Å; S772-S775 PolarHBondContact O-OG 2.99Å; S772-I776 WeakPolarHBondContact O-CG1 3.5Å; S772-S829 WeakPolarHBondContact CA-OG 3.49Å; S772-S829 WeakPolarHBondContact CB-OG 3.42Å; S772-R832 PolarHBondContact O-NH1 3.41Å; S772-R832 PolarHBondContact OG-NH2 3.31Å
773E90.4Very high89.4Confident50 Ų5034.9 Ų34.923%0.23418%0.178CC..Hα-helixtrans-68.3-37.3178.7-74178.9150.700111.7K510 R712 N769 L770 S775 I776K510-E773 IonicContact NZ-OE1 2.65Å; K510-E773 PolarHBondContact NZ-OE1 2.93Å; K510-E773 IonicContact NZ-OE2 3.68Å; R712-E773 IonicContact CZ-OE2 2.89Å; R712-E773 IonicContact NH1-OE2 3.61Å; R712-E773 PolarHBondContact NH1-OE2 3.37Å; R712-E773 VanDerWaalsContact NH2-CD 3.3Å; R712-E773 IonicContact NH2-OE1 3.28Å; R712-E773 IonicContact NH2-OE2 2.69Å; R712-E773 PolarHBondContact NH2-OE2 2.89Å; N769-E773 WeakPolarHBondContact O-CB 3.44Å; N769-E773 WeakPolarHBondContact O-CG 3.19Å; N769-E773 PolarHBondContact O-N 3.41Å; L770-E773 PolarHBondContact O-N 3.22Å; E773-S775 PolarHBondContact O-N 3.14Å; E773-I776 PolarHBondContact O-N 3.45Å
774L90.9Very high89.6Confident7 Ų734.9 Ų34.94%0.03718%0.178CC..Hα-helixtrans-63.6-28.6173.9-74.6170.5000113R712 L743 F746 I747 I750 L770 L771 L784R712-L774 HydrophobicContact CG-CD2 4.15Å; L743-L774 HydrophobicContact CD2-CD2 3.95Å; F746-L774 HydrophobicContact CB-CD1 4.3Å; F746-L774 HydrophobicContact CD2-CD1 4.24Å; F746-L774 HydrophobicContact CD2-CD2 4.28Å; I747-L774 HydrophobicContact CD1-CD1 4.1Å; I750-L774 HydrophobicContact CD1-CD1 4.01Å; L770-L774 HydrophobicContact CD1-CD1 4.38Å; L770-L774 HydrophobicContact CG-CD1 4.22Å; L770-L774 WeakPolarHBondContact O-CB 3.44Å; L770-L774 VanDerWaalsContact O-CG 3.27Å; L770-L774 WeakPolarHBondContact O-CG 3.37Å; L770-L774 PolarHBondContact O-N 3.39Å; L771-L774 PolarHBondContact O-N 3.27Å; L774-L784 HydrophobicContact CB-CD1 3.98Å; L774-L784 VanDerWaalsContact O-CD1 3.32Å; L774-L784 WeakPolarHBondContact O-CD1 3.39Å
775S90.8Very high89.7Confident0 Ų035.1 Ų35.10%018%0.179CC..THydrogen-bonded Turntrans-94.315.6-178.753.50000114.5L771 S772 E773 S829 R832L771-S775 WeakPolarHBondContact O-CB 3.22Å; L771-S775 PolarHBondContact O-N 3.37Å; L771-S775 VanDerWaalsContact O-N 3.11Å; L771-S775 PolarHBondContact O-OG 3.42Å; S772-S775 WeakPolarHBondContact CA-OG 3.19Å; S772-S775 PolarHBondContact O-N 2.94Å; S772-S775 PolarHBondContact O-OG 2.99Å; E773-S775 PolarHBondContact O-N 3.14Å; S775-S829 WeakPolarHBondContact OG-CB 3.45Å; S775-R832 PolarHBondContact O-NH1 3.49Å; S775-R832 VanDerWaalsContact O-NH1 3.14Å; S775-R832 PolarHBondContact OG-NH1 3.4Å
776I87.7Confident89.7Confident116 Ų11641.9 Ų41.960%0.59520%0.203SC*.THydrogen-bonded Turntrans-88.1-42.7175.4-65.5169.5000111.6S772 E773S772-I776 WeakPolarHBondContact O-CG1 3.5Å; E773-I776 PolarHBondContact O-N 3.45Å
777G82.8Confident89.8Confident31 Ų3142.1 Ų42.132%0.3220%0.204SC..  trans-83.8130.1-172.900000113.7S779 A780 M781G777-S779 PolarHBondContact O-N 2.9Å; G777-A780 PolarHBondContact O-N 2.63Å; G777-M781 VanDerWaalsContact O-CG 3.3Å; G777-M781 WeakPolarHBondContact O-CG 3.44Å; G777-M781 PolarHBondContact O-N 2.93Å
778F82.7Confident89.7Confident118 Ų11848.7 Ų48.752%0.51824%0.239SC..Hα-helixtrans-60.5-44.2-176.7-175.4-99.1000114.1M781 R782 V836F778-M781 HydrophobicContact CB-CE 4.44Å; F778-M781 HydrophobicContact CD2-CE 4.41Å; F778-M781 PolarHBondContact O-N 3.11Å; F778-R782 PolarHBondContact O-N 3.01Å; F778-V836 HydrophobicContact CE2-CG1 4.24Å
779S81.7Confident89.6Confident41 Ų4150.4 Ų50.429%0.28725%0.249SC..Hα-helixtrans-65.1-42.2176.955.20000112.1E718 G777 R782 K783E718-S779 WeakPolarHBondContact OE1-CB 3.38Å; E718-S779 PolarHBondContact OE1-OG 3.49Å; G777-S779 PolarHBondContact O-N 2.9Å; S779-R782 PolarHBondContact O-N 3.25Å; S779-K783 PolarHBondContact O-N 3.49Å
780A84.3Confident89.7Confident25 Ų2548.3 Ų48.321%0.20724%0.238CC..Hα-helixtrans-61.5-44.9174.300000111.3G777 R782 K783 L784G777-A780 PolarHBondContact O-N 2.63Å; A780-R782 VanDerWaalsContact C-N 3.34Å; A780-R782 PolarHBondContact O-N 3.21Å; A780-K783 WeakPolarHBondContact O-CB 3.41Å; A780-K783 PolarHBondContact O-N 3.25Å; A780-K783 VanDerWaalsContact O-N 3.1Å; A780-L784 VanDerWaalsContact O-CG 3.28Å; A780-L784 WeakPolarHBondContact O-CG 3.39Å; A780-L784 PolarHBondContact O-N 3.5Å
781M87.5Confident89.7Confident18 Ų1850.4 Ų50.49%0.08925%0.247CC..Hα-helixtrans-59.8-41.3178.3-70.6-171.1-7300112.8G777 F778 K783 L784 L785 R832 L833 V836G777-M781 VanDerWaalsContact O-CG 3.3Å; G777-M781 WeakPolarHBondContact O-CG 3.44Å; G777-M781 PolarHBondContact O-N 2.93Å; F778-M781 HydrophobicContact CB-CE 4.44Å; F778-M781 HydrophobicContact CD2-CE 4.41Å; F778-M781 PolarHBondContact O-N 3.11Å; M781-K783 VanDerWaalsContact C-N 3.31Å; M781-K783 PolarHBondContact O-N 3.38Å; M781-L784 PolarHBondContact O-N 3.44Å; M781-L785 WeakPolarHBondContact O-CG 3.3Å; M781-L785 PolarHBondContact O-N 3.25Å; M781-R832 HydrophobicContact SD-CB 4.13Å; M781-L833 HydrophobicContact CB-CD2 4Å; M781-L833 HydrophobicContact CG-CD2 3.81Å; M781-V836 HydrophobicContact CB-CG2 3.79Å; M781-V836 HydrophobicContact CE-CG2 3.89Å; M781-V836 HydrophobicContact CG-CG2 4.45Å; M781-V836 HydrophobicContact SD-CG2 3.85Å
782R89.5Confident89.6Confident147 Ų14753 Ų5356%0.55526%0.259SS*.Hα-helixtrans-62.5-36.2175.2-78.5-174.8162.8-178.2-3.1113.3F778 S779 A780 V836F778-R782 PolarHBondContact O-N 3.01Å; S779-R782 PolarHBondContact O-N 3.25Å; A780-R782 VanDerWaalsContact C-N 3.34Å; A780-R782 PolarHBondContact O-N 3.21Å; R782-V836 HydrophobicContact CG-CG1 3.76Å
783K88.5Confident89.5Confident51 Ų5152 Ų5222%0.22225%0.252CS..Hα-helixtrans-68.3-47.4174.2-70.6-179.8-166.1172.40110.5E739 M740 L743 S779 A780 M781 L785 R786E739-K783 IonicContact OE1-NZ 3.19Å; E739-K783 PolarHBondContact OE1-NZ 3.01Å; E739-K783 IonicContact OE2-NZ 2.7Å; E739-K783 PolarHBondContact OE2-NZ 2.97Å; M740-K783 WeakPolarHBondContact CE-O 3.05Å; M740-K783 HydrophobicContact SD-CB 3.59Å; M740-K783 VanDerWaalsContact SD-CB 3.59Å; M740-K783 HydrophobicContact SD-CG 4.04Å; L743-K783 HydrophobicContact CD1-CB 3.97Å; L743-K783 HydrophobicContact CD1-CD 4.33Å; S779-K783 PolarHBondContact O-N 3.49Å; A780-K783 WeakPolarHBondContact O-CB 3.41Å; A780-K783 PolarHBondContact O-N 3.25Å; A780-K783 VanDerWaalsContact O-N 3.1Å; M781-K783 VanDerWaalsContact C-N 3.31Å; M781-K783 PolarHBondContact O-N 3.38Å; K783-L785 VanDerWaalsContact C-N 3.32Å; K783-L785 PolarHBondContact O-N 3.45Å; K783-R786 WeakPolarHBondContact O-CB 3.19Å; K783-R786 PolarHBondContact O-N 3.3Å; K783-R786 VanDerWaalsContact O-N 3.11Å
784L92Very high89.6Confident0 Ų050.3 Ų50.30%024%0.244CC..Hα-helixtrans-57.9-40.7179.5-71.8172.7000112.8L743 I747 L774 A780 M781 R786 L787 I790 L833L743-L784 HydrophobicContact CB-CD2 4.31Å; L743-L784 HydrophobicContact CD1-CD2 4.42Å; L743-L784 HydrophobicContact CD2-CD2 4.15Å; I747-L784 HydrophobicContact CD1-CD2 3.89Å; I747-L784 HydrophobicContact CG1-CD2 3.93Å; L774-L784 HydrophobicContact CB-CD1 3.98Å; L774-L784 VanDerWaalsContact O-CD1 3.32Å; L774-L784 WeakPolarHBondContact O-CD1 3.39Å; A780-L784 VanDerWaalsContact O-CG 3.28Å; A780-L784 WeakPolarHBondContact O-CG 3.39Å; A780-L784 PolarHBondContact O-N 3.5Å; M781-L784 PolarHBondContact O-N 3.44Å; L784-R786 PolarHBondContact O-N 3Å; L784-L787 HydrophobicContact CD2-CD1 4.07Å; L784-L787 VanDerWaalsContact O-CB 3.3Å; L784-L787 WeakPolarHBondContact O-CB 3.4Å; L784-L787 PolarHBondContact O-N 3.25Å; L784-I790 HydrophobicContact CB-CG1 4.25Å; L784-I790 WeakPolarHBondContact O-CB 3.48Å; L784-I790 VanDerWaalsContact O-CG1 3.3Å; L784-I790 WeakPolarHBondContact O-CG1 3.43Å; L784-L833 HydrophobicContact CB-CD2 4.07Å; L784-L833 HydrophobicContact CD1-CD2 4.03Å
785L91.9Very high89.5Confident5 Ų556.3 Ų56.33%0.02627%0.27CS..THydrogen-bonded Turntrans-64.5-19.4179.5-75.3167.1000114.2M781 K783 L787 I790 Q791 L794 L833 V836 E837M781-L785 WeakPolarHBondContact O-CG 3.3Å; M781-L785 PolarHBondContact O-N 3.25Å; K783-L785 VanDerWaalsContact C-N 3.32Å; K783-L785 PolarHBondContact O-N 3.45Å; L785-L787 PolarHBondContact O-N 3.11Å; L785-I790 HydrophobicContact CD2-CG2 4.19Å; L785-Q791 PolarHBondContact O-NE2 3.44Å; L785-L794 HydrophobicContact CD2-CD1 3.71Å; L785-L833 HydrophobicContact CD2-CB 4.29Å; L785-V836 HydrophobicContact CD1-CB 3.68Å; L785-V836 HydrophobicContact CD1-CG1 3.89Å; L785-V836 HydrophobicContact CD1-CG2 4.42Å; L785-E837 HydrophobicContact CD1-CG 3.97Å
786R90.9Very high89.4Confident193 Ų19358.4 Ų58.473%0.72828%0.281SS*.THydrogen-bonded Turntrans-79.2-7.6174.5-64.5173.8177.1-177.5-3.2113.1M740 K783 L784M740-R786 HydrophobicContact CE-CB 3.62Å; K783-R786 WeakPolarHBondContact O-CB 3.19Å; K783-R786 PolarHBondContact O-N 3.3Å; K783-R786 VanDerWaalsContact O-N 3.11Å; L784-R786 PolarHBondContact O-N 3Å
787L92.8Very high89.6Confident14 Ų1453 Ų537%0.07325%0.253CS..SBendtrans-87.3127.5179.5-57.6176.1000110.4M740 L743 D744 I747 L784 L785 N789 I790 Q791M740-L787 HydrophobicContact CE-CD2 3.82Å; M740-L787 HydrophobicContact CE-CG 4.37Å; L743-L787 HydrophobicContact CB-CD1 3.95Å; D744-L787 HydrophobicContact CB-CD1 4.48Å; D744-L787 HydrophobicContact CB-CD2 3.94Å; I747-L787 HydrophobicContact CB-CD1 4.5Å; I747-L787 HydrophobicContact CG1-CD1 3.87Å; L784-L787 HydrophobicContact CD2-CD1 4.07Å; L784-L787 VanDerWaalsContact O-CB 3.3Å; L784-L787 WeakPolarHBondContact O-CB 3.4Å; L784-L787 PolarHBondContact O-N 3.25Å; L785-L787 PolarHBondContact O-N 3.11Å; L787-N789 PolarHBondContact O-N 3.43Å; L787-I790 HydrophobicContact CB-CB 4.49Å; L787-I790 HydrophobicContact CB-CG1 4.27Å; L787-I790 PolarHBondContact O-N 3.17Å; L787-Q791 PolarHBondContact O-N 2.94Å
788D92.7Very high89.9Confident138 Ų13852.4 Ų52.474%0.73824%0.244SC*.Hα-helixtrans-57.7-34.4179.9-65-32.6000112.3I790 Q791 F792D788-I790 VanDerWaalsContact C-N 3.35Å; D788-I790 PolarHBondContact O-N 3.31Å; D788-Q791 WeakPolarHBondContact O-CB 3.39Å; D788-Q791 PolarHBondContact O-N 3.04Å; D788-F792 WeakPolarHBondContact O-CB 3.5Å; D788-F792 PolarHBondContact O-N 3.13Å
789N92.4Very high89.9Confident36 Ų3649.4 Ų49.419%0.19324%0.236CC..Hα-helixtrans-66.5-33.6177.8-69.8-41.7000112.9D744 I747 L787 I793D744-N789 PolarHBondContact OD1-ND2 2.98Å; I747-N789 HydrophobicContact CB-CB 4.42Å; I747-N789 HydrophobicContact CG2-CB 3.48Å; I747-N789 VanDerWaalsContact CG2-CB 3.48Å; L787-N789 PolarHBondContact O-N 3.43Å; N789-I793 VanDerWaalsContact O-CG1 3.3Å; N789-I793 WeakPolarHBondContact O-CG1 3.37Å; N789-I793 PolarHBondContact O-N 3.28Å; N789-I793 VanDerWaalsContact O-N 3.09Å
790I93.1Very high90Very high1 Ų153.9 Ų53.91%0.00525%0.252CS..Hα-helixtrans-70.9-42.9173.4-70.5-61.9000110.2I747 L771 L784 L785 L787 D788 F792 I793 L794 L833I747-I790 HydrophobicContact CB-CD1 4.38Å; I747-I790 HydrophobicContact CD1-CD1 3.63Å; I747-I790 HydrophobicContact CD1-CG1 4.33Å; I747-I790 HydrophobicContact CG1-CD1 3.75Å; I747-I790 HydrophobicContact CG1-CG1 3.92Å; I747-I790 HydrophobicContact CG2-CD1 3.65Å; I747-I790 HydrophobicContact CG2-CG1 3.9Å; L771-I790 HydrophobicContact CD1-CD1 4.49Å; L784-I790 HydrophobicContact CB-CG1 4.25Å; L784-I790 WeakPolarHBondContact O-CB 3.48Å; L784-I790 VanDerWaalsContact O-CG1 3.3Å; L784-I790 WeakPolarHBondContact O-CG1 3.43Å; L785-I790 HydrophobicContact CD2-CG2 4.19Å; L787-I790 HydrophobicContact CB-CB 4.49Å; L787-I790 HydrophobicContact CB-CG1 4.27Å; L787-I790 PolarHBondContact O-N 3.17Å; D788-I790 VanDerWaalsContact C-N 3.35Å; D788-I790 PolarHBondContact O-N 3.31Å; I790-F792 VanDerWaalsContact C-N 3.27Å; I790-F792 PolarHBondContact O-N 2.79Å; I790-I793 HydrophobicContact CD1-CD1 4.34Å; I790-I793 PolarHBondContact O-N 3.5Å; I790-I793 VanDerWaalsContact O-N 3.15Å; I790-L794 HydrophobicContact CG2-CD1 4.09Å; I790-L794 HydrophobicContact CG2-CG 4.49Å; I790-L794 WeakPolarHBondContact O-CG 3.13Å; I790-L794 PolarHBondContact O-N 3.06Å; I790-L833 HydrophobicContact CD1-CD1 4.19Å; I790-L833 HydrophobicContact CG2-CD1 4.08Å
791Q92.1Very high90.1Very high43 Ų4357.3 Ų57.320%0.20126%0.261CS..Hα-helixtrans-58.2-44.4174.2-64.9-64.1-20.400110.3L785 L787 D788 I793 L794 F795L785-Q791 PolarHBondContact O-NE2 3.44Å; L787-Q791 PolarHBondContact O-N 2.94Å; D788-Q791 WeakPolarHBondContact O-CB 3.39Å; D788-Q791 PolarHBondContact O-N 3.04Å; Q791-I793 PolarHBondContact O-N 3Å; Q791-L794 PolarHBondContact O-N 3.17Å; Q791-L794 VanDerWaalsContact O-N 3.16Å; Q791-F795 HydrophobicContact CB-CD2 4.35Å; Q791-F795 HydrophobicContact CB-CE2 4.24Å; Q791-F795 WeakPolarHBondContact O-CD2 3.14Å; Q791-F795 PolarHBondContact O-N 2.9Å
792F92.5Very high90.2Very high56 Ų5656.4 Ų56.425%0.24626%0.256CS..Hα-helixtrans-56.2-45.7174.1179.6-88.3000112.5L751 D788 I790 L794 F795 N796 Y801 F802L751-F792 HydrophobicContact CD1-CD1 3.74Å; L751-F792 HydrophobicContact CD1-CE1 3.94Å; L751-F792 HydrophobicContact CD2-CD1 4.38Å; D788-F792 WeakPolarHBondContact O-CB 3.5Å; D788-F792 PolarHBondContact O-N 3.13Å; I790-F792 VanDerWaalsContact C-N 3.27Å; I790-F792 PolarHBondContact O-N 2.79Å; F792-L794 VanDerWaalsContact C-N 3.34Å; F792-L794 PolarHBondContact O-N 3.36Å; F792-F795 PolarHBondContact O-N 3.37Å; F792-N796 VanDerWaalsContact CD2-ND2 3.32Å; F792-N796 WeakPolarHBondContact CD2-ND2 3.31Å; F792-N796 HydrophobicContact CE1-CB 4.21Å; F792-N796 HydrophobicContact CE2-CB 4.21Å; F792-N796 VanDerWaalsContact CE2-ND2 3.33Å; F792-N796 WeakPolarHBondContact CE2-ND2 3.47Å; F792-N796 HydrophobicContact CZ-CB 4.02Å; F792-N796 VanDerWaalsContact O-CB 3.29Å; F792-N796 WeakPolarHBondContact O-CB 3.31Å; F792-N796 PolarHBondContact O-N 3.27Å; F792-N796 PolarHBondContact O-ND2 3.02Å; F792-Y801 HydrophobicContact CE1-CD1 4.5Å; F792-Y801 HydrophobicContact CE2-CE1 4.45Å; F792-Y801 AromaticContact CZ-CD1 3.68Å; F792-Y801 HydrophobicContact CZ-CD1 3.68Å; F792-Y801 HydrophobicContact CZ-CE1 4.02Å; F792-Y801 HydrophobicContact CZ-CG 4.19Å; F792-F802 HydrophobicContact CE1-CZ 4.4Å
793I92.9Very high89.9Confident3 Ų351 Ų512%0.01524%0.24CC..Hα-helixtrans-63.2-41.2177.8-67.1162.8000111.1I747 L751 N789 I790 Q791 F802 F826 I830I747-I793 HydrophobicContact CG2-CD1 4.25Å; L751-I793 HydrophobicContact CD1-CD1 4.23Å; L751-I793 HydrophobicContact CD1-CG1 3.78Å; N789-I793 VanDerWaalsContact O-CG1 3.3Å; N789-I793 WeakPolarHBondContact O-CG1 3.37Å; N789-I793 PolarHBondContact O-N 3.28Å; N789-I793 VanDerWaalsContact O-N 3.09Å; I790-I793 HydrophobicContact CD1-CD1 4.34Å; I790-I793 PolarHBondContact O-N 3.5Å; I790-I793 VanDerWaalsContact O-N 3.15Å; Q791-I793 PolarHBondContact O-N 3Å; I793-F802 HydrophobicContact CB-CZ 4.37Å; I793-F802 HydrophobicContact CG1-CZ 3.9Å; I793-F802 HydrophobicContact CG2-CE2 4.41Å; I793-F802 HydrophobicContact CG2-CZ 4.34Å; I793-F826 HydrophobicContact CG2-CE2 4.04Å; I793-F826 HydrophobicContact CG2-CZ 4.05Å; I793-I830 HydrophobicContact CG2-CG2 3.73Å
794L91.5Very high89.8Confident13 Ų1348.9 Ų48.97%0.06823%0.231CC..Hα-helixtrans-65-42.1179-71.4170.9000112L785 I790 Q791 F792 H797 I830 L834 F848L785-L794 HydrophobicContact CD2-CD1 3.71Å; I790-L794 HydrophobicContact CG2-CD1 4.09Å; I790-L794 HydrophobicContact CG2-CG 4.49Å; I790-L794 WeakPolarHBondContact O-CG 3.13Å; I790-L794 PolarHBondContact O-N 3.06Å; Q791-L794 PolarHBondContact O-N 3.17Å; Q791-L794 VanDerWaalsContact O-N 3.16Å; F792-L794 VanDerWaalsContact C-N 3.34Å; F792-L794 PolarHBondContact O-N 3.36Å; L794-H797 PolarHBondContact O-CE1 3.46Å; L794-H797 PolarHBondContact O-ND1 2.64Å; L794-I830 HydrophobicContact CD2-CB 4.09Å; L794-I830 WeakPolarHBondContact CD2-O 3.09Å; L794-L834 HydrophobicContact CD2-CB 4.31Å; L794-F848 HydrophobicContact CD2-CE2 4.31Å
795F89.2Confident89.5Confident134 Ų13449.2 Ų49.259%0.58823%0.233SC*.Hα-helixtrans-79.3-33.6-179.7-70.1-65.1000113.9Q791 F792Q791-F795 HydrophobicContact CB-CD2 4.35Å; Q791-F795 HydrophobicContact CB-CE2 4.24Å; Q791-F795 WeakPolarHBondContact O-CD2 3.14Å; Q791-F795 PolarHBondContact O-N 2.9Å; F792-F795 PolarHBondContact O-N 3.37Å
796N89.2Confident88.9Confident44 Ų4451.1 Ų51.124%0.23525%0.247CC..  trans-117.145.6-167.7-64.6-58000113.6F792 T798 Y801 F802F792-N796 VanDerWaalsContact CD2-ND2 3.32Å; F792-N796 WeakPolarHBondContact CD2-ND2 3.31Å; F792-N796 HydrophobicContact CE1-CB 4.21Å; F792-N796 HydrophobicContact CE2-CB 4.21Å; F792-N796 VanDerWaalsContact CE2-ND2 3.33Å; F792-N796 WeakPolarHBondContact CE2-ND2 3.47Å; F792-N796 HydrophobicContact CZ-CB 4.02Å; F792-N796 VanDerWaalsContact O-CB 3.29Å; F792-N796 WeakPolarHBondContact O-CB 3.31Å; F792-N796 PolarHBondContact O-N 3.27Å; F792-N796 PolarHBondContact O-ND2 3.02Å; N796-T798 PolarHBondContact O-N 2.99Å; N796-Y801 HydrophobicContact CB-CD2 3.57Å; N796-Y801 HydrophobicContact CB-CE2 3.78Å; N796-Y801 HydrophobicContact CB-CG 4.02Å; N796-Y801 WeakPolarHBondContact O-CB 3.44Å; N796-F802 WeakPolarHBondContact O-CE2 3.29Å
797H91.7Very high87.9Confident2 Ų243.9 Ų43.91%0.00923%0.225CC..  trans-84.647.2-179.458.6-86.1000114L794 F802 F826 Y827 I830 F848L794-H797 PolarHBondContact O-CE1 3.46Å; L794-H797 PolarHBondContact O-ND1 2.64Å; H797-F802 HydrophobicContact CB-CD2 4.46Å; H797-F802 HydrophobicContact CB-CE2 4.37Å; H797-F826 HydrophobicContact CB-CE1 4.18Å; H797-F826 HydrophobicContact CB-CZ 4.32Å; H797-Y827 AromaticContact CD2-CE1 3.84Å; H797-I830 HydrophobicContact CB-CD1 4.41Å; H797-F848 AromaticContact CE1-CD2 3.69Å; H797-F848 AromaticContact CE1-CE2 3.9Å; H797-F848 PolarHBondContact CE1-O 2.88Å; H797-F848 PolarHBondContact NE2-O 3.35Å
798T87.8Confident86.4Confident19 Ų1945.8 Ų45.812%0.11724%0.235CC..SBendtrans-104.4159.3179.7690000111.6N796 E800 Y801 F802 P851N796-T798 PolarHBondContact O-N 2.99Å; T798-E800 PolarHBondContact O-N 3.5Å; T798-E800 VanDerWaalsContact O-N 3.14Å; T798-Y801 PolarHBondContact O-N 3.23Å; T798-Y801 VanDerWaalsContact O-N 3.11Å; T798-Y801 VanDerWaalsContact OG1-CD2 3.26Å; T798-Y801 WeakPolarHBondContact OG1-CD2 3.47Å; T798-F802 PolarHBondContact O-N 3.49Å; T798-P851 HydrophobicContact CG2-CB 4.12Å; T798-P851 HydrophobicContact CG2-CG 4.06Å
799P84.6Confident84.4Confident55 Ų5542.1 Ų42.136%0.35722%0.218SC..THydrogen-bonded Turntrans-61.5-18175.725.2-36.1000114.2F802 P803 L805P799-F802 WeakPolarHBondContact CA-O 3.33Å; P799-F802 CarbonylContact O-C 3.41Å; P799-P803 WeakPolarHBondContact O-CA 3.43Å; P799-L805 HydrophobicContact CB-CB 4.32Å
800E83Confident82.4Confident135 Ų13546.8 Ų46.863%0.63125%0.248SC*.THydrogen-bonded Turntrans-67.3-37.9174.6-67.8160.6-152.700111.6T798 R854T798-E800 PolarHBondContact O-N 3.5Å; T798-E800 VanDerWaalsContact O-N 3.14Å; E800-R854 IonicContact OE1-NH2 3.26Å
801Y86Confident80.4Confident96 Ų9649.9 Ų49.938%0.37626%0.263SS..THydrogen-bonded Turntrans-95.1-29.8178.4-63.5-72.9000113.1K755 F792 N796 T798K755-Y801 WeakPolarHBondContact CG-O 3.47Å; F792-Y801 HydrophobicContact CE1-CD1 4.5Å; F792-Y801 HydrophobicContact CE2-CE1 4.45Å; F792-Y801 AromaticContact CZ-CD1 3.68Å; F792-Y801 HydrophobicContact CZ-CD1 3.68Å; F792-Y801 HydrophobicContact CZ-CE1 4.02Å; F792-Y801 HydrophobicContact CZ-CG 4.19Å; N796-Y801 HydrophobicContact CB-CD2 3.57Å; N796-Y801 HydrophobicContact CB-CE2 3.78Å; N796-Y801 HydrophobicContact CB-CG 4.02Å; N796-Y801 WeakPolarHBondContact O-CB 3.44Å; T798-Y801 PolarHBondContact O-N 3.23Å; T798-Y801 VanDerWaalsContact O-N 3.11Å; T798-Y801 VanDerWaalsContact OG1-CD2 3.26Å; T798-Y801 WeakPolarHBondContact OG1-CD2 3.47Å
802F89.6Confident78.5Confident0 Ų054.1 Ų54.10%028%0.283CS..  trans-124.286.2179.1-58.4-53.7000110.2L751 L754 F792 I793 N796 H797 T798 P799 F804 L805 F826L751-F802 HydrophobicContact CD1-CE1 3.8Å; L751-F802 HydrophobicContact CD1-CZ 4Å; L754-F802 HydrophobicContact CB-CD1 3.74Å; L754-F802 HydrophobicContact CB-CE1 4.08Å; L754-F802 HydrophobicContact CD1-CE1 4.42Å; F792-F802 HydrophobicContact CE1-CZ 4.4Å; I793-F802 HydrophobicContact CB-CZ 4.37Å; I793-F802 HydrophobicContact CG1-CZ 3.9Å; I793-F802 HydrophobicContact CG2-CE2 4.41Å; I793-F802 HydrophobicContact CG2-CZ 4.34Å; N796-F802 WeakPolarHBondContact O-CE2 3.29Å; H797-F802 HydrophobicContact CB-CD2 4.46Å; H797-F802 HydrophobicContact CB-CE2 4.37Å; T798-F802 PolarHBondContact O-N 3.49Å; P799-F802 WeakPolarHBondContact CA-O 3.33Å; P799-F802 CarbonylContact O-C 3.41Å; F802-F804 HydrophobicContact CB-CD1 4.02Å; F802-F804 HydrophobicContact CB-CE1 3.82Å; F802-F804 HydrophobicContact CG-CE1 4.43Å; F802-F804 PolarHBondContact O-N 3.02Å; F802-L805 HydrophobicContact CB-CD1 3.84Å; F802-L805 HydrophobicContact CB-CG 4.02Å; F802-L805 HydrophobicContact CD2-CD1 4.27Å; F802-L805 WeakPolarHBondContact O-CB 3.33Å; F802-L805 PolarHBondContact O-N 2.8Å; F802-F826 HydrophobicContact CD2-CZ 4.08Å; F802-F826 HydrophobicContact CE2-CZ 4.13Å
803P84.1Confident76.6Confident34 Ų3453.9 Ų53.922%0.22128%0.284CS..G310 helixtrans-59.7-23.8-171.1-2534000114.6N758 P799 L805 S806N758-P803 HydrophobicContact CB-CB 3.78Å; N758-P803 HydrophobicContact CB-CG 4.48Å; P799-P803 WeakPolarHBondContact O-CA 3.43Å; P803-L805 PolarHBondContact O-N 3.01Å; P803-S806 WeakPolarHBondContact O-CB 3.39Å; P803-S806 PolarHBondContact O-N 2.96Å
804F85.8Confident74.6Confident6 Ų656.4 Ų56.43%0.02630%0.302CS..G310 helixtrans-64.9-16.2175.586-86000113.6L754 L764 L768 F802 S806 R823 F826L754-F804 HydrophobicContact CB-CE1 4.4Å; L754-F804 HydrophobicContact CD2-CD1 4.3Å; L754-F804 HydrophobicContact CD2-CE1 3.8Å; L754-F804 HydrophobicContact CD2-CZ 4.32Å; L764-F804 HydrophobicContact CD1-CB 3.87Å; L764-F804 HydrophobicContact CD1-CG 4.38Å; L768-F804 HydrophobicContact CD1-CE2 4.46Å; F802-F804 HydrophobicContact CB-CD1 4.02Å; F802-F804 HydrophobicContact CB-CE1 3.82Å; F802-F804 HydrophobicContact CG-CE1 4.43Å; F802-F804 PolarHBondContact O-N 3.02Å; F804-S806 VanDerWaalsContact C-N 3.31Å; F804-R823 HydrophobicContact CE2-CG 4.35Å; F804-F826 HydrophobicContact CZ-CB 4.2Å; F804-F826 HydrophobicContact CZ-CD1 4.13Å; F804-F826 HydrophobicContact CZ-CD2 4.22Å; F804-F826 AromaticContact CZ-CG 3.92Å; F804-F826 HydrophobicContact CZ-CG 3.92Å
805L86.4Confident72.7Confident6 Ų660.7 Ų60.73%0.03132%0.321CS..G310 helixtrans-79.2-14.7172.8-60.6179.7000112.7P799 F802 P803 R823 F826 Y827P799-L805 HydrophobicContact CB-CB 4.32Å; F802-L805 HydrophobicContact CB-CD1 3.84Å; F802-L805 HydrophobicContact CB-CG 4.02Å; F802-L805 HydrophobicContact CD2-CD1 4.27Å; F802-L805 WeakPolarHBondContact O-CB 3.33Å; F802-L805 PolarHBondContact O-N 2.8Å; P803-L805 PolarHBondContact O-N 3.01Å; L805-R823 HydrophobicContact CD2-CG 4.02Å; L805-R823 PolarHBondContact O-NH1 3.42Å; L805-F826 HydrophobicContact CD1-CE1 4.16Å; L805-F826 HydrophobicContact CD2-CD1 4.25Å; L805-F826 HydrophobicContact CD2-CE1 4.49Å; L805-Y827 HydrophobicContact CD2-CE2 4.3Å
806S79.4Confident71.1Confident46 Ų4655.4 Ų55.432%0.32230%0.301SS..SBendtrans-66.3139.3-179.6-1740000111.4P803 F804 N808P803-S806 WeakPolarHBondContact O-CB 3.39Å; P803-S806 PolarHBondContact O-N 2.96Å; F804-S806 VanDerWaalsContact C-N 3.31Å; S806-N808 VanDerWaalsContact C-N 3.26Å; S806-N808 PolarHBondContact O-N 2.95Å
807P69.5Low69.7Low41 Ų4154 Ų5427%0.26630%0.295SS..  trans-71.282.2168.730.3-32.7000109.7T809 L878P807-T809 PolarHBondContact O-N 2.93Å; P807-L878 HydrophobicContact CB-CB 3.83Å; P807-L878 HydrophobicContact CB-CD1 4.46Å
808N61.9Low68.3Low53 Ų5354.5 Ų54.528%0.28330%0.298SS..  trans-64.5115.9179.6-76.5-7.6000111.4S806S806-N808 VanDerWaalsContact C-N 3.26Å; S806-N808 PolarHBondContact O-N 2.95Å
809T50.7Low67.5Low62 Ų6254.8 Ų54.838%0.3830%0.298SS..SBendtrans-76.5-21.4-178.712.90000114.2P807 K874 L875P807-T809 PolarHBondContact O-N 2.93Å; T809-K874 PolarHBondContact O-NZ 2.74Å; T809-L875 HydrophobicContact CG2-CD2 3.56Å; T809-L875 HydrophobicContact CG2-CG 3.84Å
810T49.2Very low67Low134 Ų13452.6 Ų52.682%0.82228%0.284SS*.SBendtrans-75.2-23.4-171.550.60000114
811M50.9Low67Low66 Ų6650.2 Ų50.233%0.32527%0.27SS..SBendtrans-91.2152.6-179.1-59.3-159.283.300112.3Q815 K874M811-Q815 HydrophobicContact CE-CB 4.14Å; M811-K874 PolarHBondContact O-NZ 2.95Å
812E52.7Low67Low132 Ų13245.7 Ų45.762%0.61725%0.252SS*.  trans-60.4143.9167.9-68.1-171.4165.700110.4S814 Q815 S816E812-S814 PolarHBondContact O-N 2.78Å; E812-S814 VanDerWaalsContact O-N 3.17Å; E812-Q815 PolarHBondContact O-N 3.3Å; E812-Q815 VanDerWaalsContact O-N 3.16Å; E812-S816 PolarHBondContact O-N 3.4Å; E812-S816 VanDerWaalsContact O-N 3.09Å
813L52.4Low67.1Low51 Ų5147.1 Ų47.127%0.26726%0.257SS..Hα-helixtrans-55.5-34.4-177.9-85.8130.7000112.5S817 K874 L878L813-S817 PolarHBondContact O-N 2.78Å; L813-K874 HydrophobicContact CD1-CG 4.41Å; L813-L878 HydrophobicContact CD2-CD2 4.07Å
814S50.5Low67.5Low56 Ų5646.3 Ų46.339%0.39225%0.252SS..Hα-helixtrans-60.9-48.6177.654.70000112.3E812 S817E812-S814 PolarHBondContact O-N 2.78Å; E812-S814 VanDerWaalsContact O-N 3.17Å; S814-S817 VanDerWaalsContact O-CB 3.3Å; S814-S817 WeakPolarHBondContact O-CB 3.43Å; S814-S817 PolarHBondContact O-N 3.16Å; S814-S817 PolarHBondContact O-OG 3.2Å
815Q53Low67.8Low103 Ų10347.9 Ų47.948%0.48126%0.262SS..Hα-helixtrans-70.4-42.8179.5-66.4-179.1-3.600111.3M811 E812 S817 T818M811-Q815 HydrophobicContact CE-CB 4.14Å; E812-Q815 PolarHBondContact O-N 3.3Å; E812-Q815 VanDerWaalsContact O-N 3.16Å; Q815-S817 PolarHBondContact O-N 3.14Å; Q815-T818 PolarHBondContact O-N 3.05Å; Q815-T818 PolarHBondContact O-OG1 3.02Å
816S54.3Low68.2Low22 Ų2247.6 Ų47.615%0.15426%0.26CS..Hα-helixtrans-56.8-33.4174.3-174.30000112.5E812 T818 I819 S820 L878E812-S816 PolarHBondContact O-N 3.4Å; E812-S816 VanDerWaalsContact O-N 3.09Å; S816-T818 PolarHBondContact O-N 2.72Å; S816-I819 PolarHBondContact O-N 3.13Å; S816-S820 WeakPolarHBondContact O-CB 3.48Å; S816-S820 PolarHBondContact O-N 2.82Å; S816-L878 WeakPolarHBondContact OG-CD2 3.41Å
817S59.3Low68.9Low16 Ų1645.8 Ų45.811%0.11225%0.247CC..Hα-helixtrans-56.9-24177.387.20000113.3L813 S814 Q815 S820 R821L813-S817 PolarHBondContact O-N 2.78Å; S814-S817 VanDerWaalsContact O-CB 3.3Å; S814-S817 WeakPolarHBondContact O-CB 3.43Å; S814-S817 PolarHBondContact O-N 3.16Å; S814-S817 PolarHBondContact O-OG 3.2Å; Q815-S817 PolarHBondContact O-N 3.14Å; S817-S820 PolarHBondContact O-OG 2.97Å; S817-R821 WeakPolarHBondContact O-CG 3.38Å
818T62.6Low70.2Confident12 Ų1244 Ų447%0.07424%0.236CC..Hα-helixtrans-86.6-47-177.3-30.50000113R500 E761 Q815 S816 S820 R821R500-T818 VanDerWaalsContact CZ-CG2 3.41Å; R500-T818 PolarHBondContact NH2-OG1 3.43Å; E761-T818 WeakPolarHBondContact OE1-CG2 3.37Å; Q815-T818 PolarHBondContact O-N 3.05Å; Q815-T818 PolarHBondContact O-OG1 3.02Å; S816-T818 PolarHBondContact O-N 2.72Å; T818-S820 PolarHBondContact O-N 2.95Å; T818-R821 VanDerWaalsContact O-CB 3.29Å; T818-R821 WeakPolarHBondContact O-CB 3.27Å; T818-R821 PolarHBondContact O-N 3.45Å
819I71.1Confident71.7Confident24 Ų2441.5 Ų41.512%0.12322%0.222CC..Hα-helixtrans-57.9-34.4171.3-62.8174000109.6S816 R821 L822S816-I819 PolarHBondContact O-N 3.13Å; I819-R821 PolarHBondContact O-N 2.86Å; I819-R821 VanDerWaalsContact O-N 3.15Å; I819-L822 VanDerWaalsContact O-CB 3.23Å; I819-L822 WeakPolarHBondContact O-CB 3.32Å; I819-L822 PolarHBondContact O-N 3.24Å
820S74Confident73.8Confident10 Ų1038.6 Ų38.67%0.0720%0.204CC..Hα-helixtrans-59.9-25.7174.185.80000114.3S816 S817 T818 L822 R823 R885S816-S820 WeakPolarHBondContact O-CB 3.48Å; S816-S820 PolarHBondContact O-N 2.82Å; S817-S820 PolarHBondContact O-OG 2.97Å; T818-S820 PolarHBondContact O-N 2.95Å; S820-L822 VanDerWaalsContact C-N 3.34Å; S820-R823 WeakPolarHBondContact O-CB 3.36Å; S820-R823 PolarHBondContact O-N 2.91Å; S820-R885 WeakPolarHBondContact O-CG 3.44Å
821R82.6Confident75.9Confident85 Ų8532.2 Ų32.232%0.32117%0.165SC..Hα-helixtrans-71.5-32.3177.2-60.3172.8-162.9168.24.9111.6S817 T818 I819 R823 T824S817-R821 WeakPolarHBondContact O-CG 3.38Å; T818-R821 VanDerWaalsContact O-CB 3.29Å; T818-R821 WeakPolarHBondContact O-CB 3.27Å; T818-R821 PolarHBondContact O-N 3.45Å; I819-R821 PolarHBondContact O-N 2.86Å; I819-R821 VanDerWaalsContact O-N 3.15Å; R821-R823 PolarHBondContact O-N 3.14Å; R821-T824 WeakPolarHBondContact O-CB 3.32Å; R821-T824 PolarHBondContact O-N 3.28Å; R821-T824 VanDerWaalsContact O-N 3.15Å
822L86.5Confident77.9Confident1 Ų131 Ų311%0.00516%0.157CC..Hα-helixtrans-60.5-32.2176.9-62.8-178.4000111.6L764 Q765 L768 I819 S820 T824 T825 F826L764-L822 HydrophobicContact CB-CD1 3.66Å; L764-L822 HydrophobicContact CD1-CD1 4.41Å; Q765-L822 HydrophobicContact CB-CD2 3.89Å; Q765-L822 VanDerWaalsContact CD-CD2 3.4Å; Q765-L822 HydrophobicContact CG-CD2 4.23Å; L768-L822 HydrophobicContact CD1-CB 3.59Å; L768-L822 HydrophobicContact CD1-CD1 4.48Å; L768-L822 HydrophobicContact CD1-CD2 4.28Å; L768-L822 HydrophobicContact CD1-CG 4.34Å; I819-L822 VanDerWaalsContact O-CB 3.23Å; I819-L822 WeakPolarHBondContact O-CB 3.32Å; I819-L822 PolarHBondContact O-N 3.24Å; S820-L822 VanDerWaalsContact C-N 3.34Å; L822-T824 VanDerWaalsContact C-N 3.31Å; L822-T824 PolarHBondContact O-N 3.41Å; L822-T825 PolarHBondContact O-N 2.87Å; L822-T825 VanDerWaalsContact O-N 3.1Å; L822-F826 PolarHBondContact O-N 3.43Å
823R91.2Very high79.8Confident29 Ų2924.9 Ų24.911%0.10913%0.128CC..Hα-helixtrans-58.1-40.6175.1-57.7172.865.61390.2112.6F804 L805 S820 R821 T825 F826 Y827 R885 D886F804-R823 HydrophobicContact CE2-CG 4.35Å; L805-R823 HydrophobicContact CD2-CG 4.02Å; L805-R823 PolarHBondContact O-NH1 3.42Å; S820-R823 WeakPolarHBondContact O-CB 3.36Å; S820-R823 PolarHBondContact O-N 2.91Å; R821-R823 PolarHBondContact O-N 3.14Å; R823-T825 VanDerWaalsContact C-N 3.32Å; R823-T825 PolarHBondContact O-N 3.36Å; R823-F826 PolarHBondContact O-N 3.4Å; R823-Y827 WeakPolarHBondContact O-CB 3.34Å; R823-Y827 WeakPolarHBondContact O-CD2 3.48Å; R823-Y827 PolarHBondContact O-N 3.11Å; R823-R885 HydrophobicContact CB-CB 4.19Å; R823-D886 WeakPolarHBondContact CB-OD1 3.31Å; R823-D886 IonicContact CZ-OD1 3.09Å; R823-D886 IonicContact CZ-OD2 3.47Å; R823-D886 IonicContact NE-OD1 3.96Å; R823-D886 PolarHBondContact NE-OD1 3.24Å; R823-D886 IonicContact NE-OD2 3.03Å; R823-D886 IonicContact NH2-OD1 3.93Å; R823-D886 PolarHBondContact NH2-OD1 2.98Å; R823-D886 IonicContact NH2-OD2 3.04Å; R823-D886 PolarHBondContact NH2-OD2 2.98Å
824T92.8Very high81.7Confident17 Ų1722.8 Ų22.810%0.10412%0.117CC..Hα-helixtrans-60.8-42175.7-58.60000111.3R821 L822 A828 R885 R888 G889R821-T824 WeakPolarHBondContact O-CB 3.32Å; R821-T824 PolarHBondContact O-N 3.28Å; R821-T824 VanDerWaalsContact O-N 3.15Å; L822-T824 VanDerWaalsContact C-N 3.31Å; L822-T824 PolarHBondContact O-N 3.41Å; T824-A828 WeakPolarHBondContact O-CB 3.21Å; T824-A828 PolarHBondContact O-N 3.3Å; T824-R885 WeakPolarHBondContact CA-O 3.3Å; T824-R885 VanDerWaalsContact OG1-CD 3.31Å; T824-R885 WeakPolarHBondContact OG1-CD 3.35Å; T824-R885 PolarHBondContact OG1-O 2.87Å; T824-R888 HydrophobicContact CG2-CB 4.37Å; T824-R888 HydrophobicContact CG2-CG 4.19Å; T824-G889 VanDerWaalsContact O-CA 3.3Å; T824-G889 WeakPolarHBondContact O-CA 3.21Å
825T91.9Very high83.5Confident39 Ų3921.4 Ų21.424%0.23911%0.105CC..Hα-helixtrans-68.4-41.9177-530000111.8L768 L822 R823 A828 S829L768-T825 HydrophobicContact CB-CG2 4.37Å; L822-T825 PolarHBondContact O-N 2.87Å; L822-T825 VanDerWaalsContact O-N 3.1Å; R823-T825 VanDerWaalsContact C-N 3.32Å; R823-T825 PolarHBondContact O-N 3.36Å; T825-A828 PolarHBondContact O-N 3.4Å; T825-S829 WeakPolarHBondContact O-CB 3.33Å; T825-S829 PolarHBondContact O-N 3.14Å; T825-S829 PolarHBondContact O-OG 3.28Å
826F95Very high85.1Confident0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-59.3-57.1176.6176.8-110.6000111.3L754 L768 L771 I793 H797 F802 F804 L805 L822 R823 A828 S829 I830L754-F826 HydrophobicContact CD1-CD2 4.26Å; L754-F826 HydrophobicContact CD1-CE2 3.87Å; L768-F826 HydrophobicContact CD1-CB 4.39Å; L768-F826 HydrophobicContact CD2-CB 3.75Å; L768-F826 HydrophobicContact CD2-CD2 3.6Å; L768-F826 HydrophobicContact CD2-CG 4.13Å; L771-F826 HydrophobicContact CD2-CD2 4.23Å; L771-F826 HydrophobicContact CD2-CE2 4.47Å; I793-F826 HydrophobicContact CG2-CE2 4.04Å; I793-F826 HydrophobicContact CG2-CZ 4.05Å; H797-F826 HydrophobicContact CB-CE1 4.18Å; H797-F826 HydrophobicContact CB-CZ 4.32Å; F802-F826 HydrophobicContact CD2-CZ 4.08Å; F802-F826 HydrophobicContact CE2-CZ 4.13Å; F804-F826 HydrophobicContact CZ-CB 4.2Å; F804-F826 HydrophobicContact CZ-CD1 4.13Å; F804-F826 HydrophobicContact CZ-CD2 4.22Å; F804-F826 AromaticContact CZ-CG 3.92Å; F804-F826 HydrophobicContact CZ-CG 3.92Å; L805-F826 HydrophobicContact CD1-CE1 4.16Å; L805-F826 HydrophobicContact CD2-CD1 4.25Å; L805-F826 HydrophobicContact CD2-CE1 4.49Å; L822-F826 PolarHBondContact O-N 3.43Å; R823-F826 PolarHBondContact O-N 3.4Å; F826-A828 VanDerWaalsContact C-N 3.26Å; F826-A828 PolarHBondContact O-N 2.85Å; F826-S829 PolarHBondContact O-N 3.32Å; F826-I830 HydrophobicContact CD1-CD1 4.23Å; F826-I830 HydrophobicContact CD2-CG2 4.31Å; F826-I830 HydrophobicContact CE1-CD1 3.81Å; F826-I830 HydrophobicContact CE2-CG2 3.95Å; F826-I830 HydrophobicContact CZ-CD1 4.16Å; F826-I830 HydrophobicContact CZ-CG2 4.15Å; F826-I830 PolarHBondContact O-N 3.24Å
827Y95.5Very high86.5Confident8 Ų821.6 Ų21.63%0.03111%0.106CC..Hα-helixtrans-62.1-33.7178.6-84.9-80000112.4H797 L805 R823 S829 I830 S831 L852 D886 I890H797-Y827 AromaticContact CD2-CE1 3.84Å; L805-Y827 HydrophobicContact CD2-CE2 4.3Å; R823-Y827 WeakPolarHBondContact O-CB 3.34Å; R823-Y827 WeakPolarHBondContact O-CD2 3.48Å; R823-Y827 PolarHBondContact O-N 3.11Å; Y827-S829 VanDerWaalsContact C-N 3.33Å; Y827-S829 PolarHBondContact O-N 3.35Å; Y827-I830 HydrophobicContact CD1-CD1 3.73Å; Y827-I830 HydrophobicContact CD1-CG1 4.38Å; Y827-I830 HydrophobicContact CE1-CD1 4Å; Y827-I830 HydrophobicContact CG-CD1 4.33Å; Y827-S831 WeakPolarHBondContact O-CB 3.42Å; Y827-S831 PolarHBondContact O-N 3.27Å; Y827-S831 PolarHBondContact O-OG 2.62Å; Y827-L852 HydrophobicContact CE1-CD1 4.02Å; Y827-D886 WeakPolarHBondContact CB-O 3.34Å; Y827-D886 HydrophobicContact CD1-CB 4.34Å; Y827-D886 HydrophobicContact CD2-CB 3.49Å; Y827-D886 VanDerWaalsContact CD2-CB 3.49Å; Y827-D886 VanDerWaalsContact CD2-CG 3.41Å; Y827-D886 VanDerWaalsContact CD2-OD1 3.28Å; Y827-D886 WeakPolarHBondContact CD2-OD1 3.48Å; Y827-D886 HydrophobicContact CE1-CB 4.36Å; Y827-D886 HydrophobicContact CE2-CB 3.5Å; Y827-D886 WeakPolarHBondContact CE2-OD1 3.13Å; Y827-D886 WeakPolarHBondContact CE2-OD2 3.47Å; Y827-D886 HydrophobicContact CG-CB 3.92Å; Y827-I890 HydrophobicContact CD1-CD1 3.98Å; Y827-I890 HydrophobicContact CD1-CG1 3.86Å; Y827-I890 HydrophobicContact CE1-CD1 4.45Å; Y827-I890 HydrophobicContact CG-CG1 4.38Å
828A95.2Very high87.7Confident5 Ų520.9 Ų20.94%0.04110%0.101CC..Hα-helixtrans-66.9-34.1173.700000113.3T824 T825 F826 R832 G889 Y892 S893T824-A828 WeakPolarHBondContact O-CB 3.21Å; T824-A828 PolarHBondContact O-N 3.3Å; T825-A828 PolarHBondContact O-N 3.4Å; F826-A828 VanDerWaalsContact C-N 3.26Å; F826-A828 PolarHBondContact O-N 2.85Å; A828-R832 WeakPolarHBondContact O-CG 3.38Å; A828-R832 PolarHBondContact O-N 2.77Å; A828-R832 PolarHBondContact O-NE 3.41Å; A828-G889 WeakPolarHBondContact CA-O 3.15Å; A828-G889 WeakPolarHBondContact CB-O 3.45Å; A828-Y892 HydrophobicContact CB-CD1 4.16Å; A828-S893 WeakPolarHBondContact CA-OG 3.45Å; A828-S893 PolarHBondContact O-OG 3Å
829S94.3Very high88.6Confident0 Ų022.7 Ų22.70%012%0.122CC..Hα-helixtrans-74.9-47.1-179.2-530000111.1S772 S775 T825 F826 Y827 S831 R832 L833S772-S829 WeakPolarHBondContact CA-OG 3.49Å; S772-S829 WeakPolarHBondContact CB-OG 3.42Å; S775-S829 WeakPolarHBondContact OG-CB 3.45Å; T825-S829 WeakPolarHBondContact O-CB 3.33Å; T825-S829 PolarHBondContact O-N 3.14Å; T825-S829 PolarHBondContact O-OG 3.28Å; F826-S829 PolarHBondContact O-N 3.32Å; Y827-S829 VanDerWaalsContact C-N 3.33Å; Y827-S829 PolarHBondContact O-N 3.35Å; S829-S831 PolarHBondContact O-N 2.82Å; S829-R832 PolarHBondContact O-N 2.73Å; S829-R832 PolarHBondContact OG-NH2 3.19Å; S829-L833 PolarHBondContact O-N 3.42Å
830I94.7Very high89.1Confident1 Ų128.8 Ų28.81%0.00515%0.15CC..Hα-helixtrans-69.6-33.7179.569.1-179.2000111.9I793 L794 H797 F826 Y827 L833 L834 F848I793-I830 HydrophobicContact CG2-CG2 3.73Å; L794-I830 HydrophobicContact CD2-CB 4.09Å; L794-I830 WeakPolarHBondContact CD2-O 3.09Å; H797-I830 HydrophobicContact CB-CD1 4.41Å; F826-I830 HydrophobicContact CD1-CD1 4.23Å; F826-I830 HydrophobicContact CD2-CG2 4.31Å; F826-I830 HydrophobicContact CE1-CD1 3.81Å; F826-I830 HydrophobicContact CE2-CG2 3.95Å; F826-I830 HydrophobicContact CZ-CD1 4.16Å; F826-I830 HydrophobicContact CZ-CG2 4.15Å; F826-I830 PolarHBondContact O-N 3.24Å; Y827-I830 HydrophobicContact CD1-CD1 3.73Å; Y827-I830 HydrophobicContact CD1-CG1 4.38Å; Y827-I830 HydrophobicContact CE1-CD1 4Å; Y827-I830 HydrophobicContact CG-CD1 4.33Å; I830-L833 WeakPolarHBondContact O-CB 3.3Å; I830-L833 PolarHBondContact O-N 3.1Å; I830-L834 PolarHBondContact O-N 2.8Å; I830-F848 HydrophobicContact CD1-CE2 3.88Å; I830-F848 HydrophobicContact CD1-CZ 3.87Å; I830-F848 HydrophobicContact CG1-CE2 4.09Å; I830-F848 HydrophobicContact CG1-CZ 3.92Å
831S93.8Very high89.8Confident0 Ų031.8 Ų31.80%017%0.165CC..Hα-helixtrans-68.9-36.4176.7-58.90000111.5Y827 S829 L833 L834 M835 I890Y827-S831 WeakPolarHBondContact O-CB 3.42Å; Y827-S831 PolarHBondContact O-N 3.27Å; Y827-S831 PolarHBondContact O-OG 2.62Å; S829-S831 PolarHBondContact O-N 2.82Å; S831-L833 VanDerWaalsContact C-N 3.3Å; S831-L833 PolarHBondContact O-N 3.11Å; S831-L834 PolarHBondContact O-N 3.48Å; S831-M835 WeakPolarHBondContact O-CB 3.23Å; S831-M835 WeakPolarHBondContact O-CG 3.32Å; S831-M835 PolarHBondContact O-N 3.23Å; S831-I890 WeakPolarHBondContact OG-CA 3.42Å; S831-I890 WeakPolarHBondContact OG-CG1 3.3Å
832R93.2Very high90Very high41 Ų4132.2 Ų32.216%0.15517%0.174CC..Hα-helixtrans-59.6-41.2171.1-85.1178-83.7138.4-9112S772 S775 M781 A828 S829 M835S772-R832 PolarHBondContact O-NH1 3.41Å; S772-R832 PolarHBondContact OG-NH2 3.31Å; S775-R832 PolarHBondContact O-NH1 3.49Å; S775-R832 VanDerWaalsContact O-NH1 3.14Å; S775-R832 PolarHBondContact OG-NH1 3.4Å; M781-R832 HydrophobicContact SD-CB 4.13Å; A828-R832 WeakPolarHBondContact O-CG 3.38Å; A828-R832 PolarHBondContact O-N 2.77Å; A828-R832 PolarHBondContact O-NE 3.41Å; S829-R832 PolarHBondContact O-N 2.73Å; S829-R832 PolarHBondContact OG-NH2 3.19Å; R832-M835 PolarHBondContact O-N 2.87Å
833L92.7Very high90.2Very high2 Ų238.7 Ų38.71%0.0120%0.204CC..Hα-helixtrans-65.3-47.8175.3-68.2168.2000111.7M781 L784 L785 I790 S829 I830 S831 M835 V836M781-L833 HydrophobicContact CB-CD2 4Å; M781-L833 HydrophobicContact CG-CD2 3.81Å; L784-L833 HydrophobicContact CB-CD2 4.07Å; L784-L833 HydrophobicContact CD1-CD2 4.03Å; L785-L833 HydrophobicContact CD2-CB 4.29Å; I790-L833 HydrophobicContact CD1-CD1 4.19Å; I790-L833 HydrophobicContact CG2-CD1 4.08Å; S829-L833 PolarHBondContact O-N 3.42Å; I830-L833 WeakPolarHBondContact O-CB 3.3Å; I830-L833 PolarHBondContact O-N 3.1Å; S831-L833 VanDerWaalsContact C-N 3.3Å; S831-L833 PolarHBondContact O-N 3.11Å; L833-M835 VanDerWaalsContact C-N 3.25Å; L833-M835 PolarHBondContact O-N 3.34Å; L833-V836 PolarHBondContact O-N 3.06Å
834L91Very high90.1Very high7 Ų739.9 Ų39.94%0.03721%0.21CC..Hα-helixtrans-53.9-44.4176.8179.367.8000111.6L794 I830 S831 V836 E837 L838 K844 F848L794-L834 HydrophobicContact CD2-CB 4.31Å; I830-L834 PolarHBondContact O-N 2.8Å; S831-L834 PolarHBondContact O-N 3.48Å; L834-V836 PolarHBondContact O-N 2.94Å; L834-E837 PolarHBondContact O-N 2.76Å; L834-L838 HydrophobicContact CD1-CD1 4.22Å; L834-L838 HydrophobicContact CD2-CD1 4.44Å; L834-L838 HydrophobicContact CG-CB 4.45Å; L834-L838 HydrophobicContact CG-CD1 4.2Å; L834-L838 WeakPolarHBondContact O-CB 3.44Å; L834-L838 PolarHBondContact O-N 3.37Å; L834-K844 HydrophobicContact CD1-CG 4.31Å; L834-F848 HydrophobicContact CD1-CB 4.5Å; L834-F848 HydrophobicContact CD2-CB 3.94Å; L834-F848 HydrophobicContact CD2-CD1 3.47Å; L834-F848 VanDerWaalsContact CD2-CD1 3.47Å; L834-F848 HydrophobicContact CD2-CD2 3.97Å; L834-F848 HydrophobicContact CD2-CE1 3.89Å; L834-F848 HydrophobicContact CD2-CE2 4.35Å; L834-F848 HydrophobicContact CD2-CG 3.51Å; L834-F848 HydrophobicContact CD2-CZ 4.32Å
835M89.1Confident90.1Very high28 Ų2839.2 Ų39.214%0.13821%0.206CC..Hα-helixtrans-57.9-22-176.5-80.8-61.3-56.400115.1S831 R832 L833 L838 L894 N896 S899S831-M835 WeakPolarHBondContact O-CB 3.23Å; S831-M835 WeakPolarHBondContact O-CG 3.32Å; S831-M835 PolarHBondContact O-N 3.23Å; R832-M835 PolarHBondContact O-N 2.87Å; L833-M835 VanDerWaalsContact C-N 3.25Å; L833-M835 PolarHBondContact O-N 3.34Å; M835-L838 HydrophobicContact SD-CD2 4Å; M835-L894 HydrophobicContact CG-CD2 3.83Å; M835-L894 HydrophobicContact SD-CD2 3.31Å; M835-L894 WeakPolarHBondContact SD-CD2 3.44Å; M835-N896 HydrophobicContact CE-CB 3.85Å; M835-N896 WeakPolarHBondContact CE-ND2 3.46Å; M835-S899 VanDerWaalsContact CE-OG 3.22Å; M835-S899 WeakPolarHBondContact CE-OG 3.41Å; M835-S899 WeakPolarHBondContact SD-CB 3.47Å; M835-S899 PolarHBondContact SD-OG 2.93Å; M835-S899 VanDerWaalsContact SD-OG 3.34Å
836V86.9Confident90.1Very high34 Ų3441.9 Ų41.921%0.20622%0.218CC..Hα-helixtrans-72.8-32.2-179.3179.20000112.2F778 M781 R782 L785 L833 L834F778-V836 HydrophobicContact CE2-CG1 4.24Å; M781-V836 HydrophobicContact CB-CG2 3.79Å; M781-V836 HydrophobicContact CE-CG2 3.89Å; M781-V836 HydrophobicContact CG-CG2 4.45Å; M781-V836 HydrophobicContact SD-CG2 3.85Å; R782-V836 HydrophobicContact CG-CG1 3.76Å; L785-V836 HydrophobicContact CD1-CB 3.68Å; L785-V836 HydrophobicContact CD1-CG1 3.89Å; L785-V836 HydrophobicContact CD1-CG2 4.42Å; L833-V836 PolarHBondContact O-N 3.06Å; L834-V836 PolarHBondContact O-N 2.94Å
837E84.1Confident89.9Confident94 Ų9446.5 Ų46.544%0.43924%0.243SC..Hα-helixtrans-111.9-4.5179.8-74.7179.9178.900113.7L785 L834 K844L785-E837 HydrophobicContact CD1-CG 3.97Å; L834-E837 PolarHBondContact O-N 2.76Å; E837-K844 VanDerWaalsContact CB-NZ 3.27Å; E837-K844 IonicContact OE2-NZ 3.24Å; E837-K844 PolarHBondContact OE2-NZ 3.15Å
838L84.6Confident89.8Confident2 Ų246.6 Ų46.61%0.0124%0.243CC..Hα-helixtrans-65.6-41.9-173.7-17267.2000112.5L834 M835 E840 D841 K844 F845 M902L834-L838 HydrophobicContact CD1-CD1 4.22Å; L834-L838 HydrophobicContact CD2-CD1 4.44Å; L834-L838 HydrophobicContact CG-CB 4.45Å; L834-L838 HydrophobicContact CG-CD1 4.2Å; L834-L838 WeakPolarHBondContact O-CB 3.44Å; L834-L838 PolarHBondContact O-N 3.37Å; M835-L838 HydrophobicContact SD-CD2 4Å; L838-E840 PolarHBondContact O-N 3.5Å; L838-D841 VanDerWaalsContact O-CB 3.29Å; L838-D841 WeakPolarHBondContact O-CB 3.45Å; L838-D841 PolarHBondContact O-N 3.32Å; L838-K844 HydrophobicContact CD1-CB 4.25Å; L838-K844 HydrophobicContact CD1-CG 4.34Å; L838-F845 HydrophobicContact CD1-CB 3.91Å; L838-F845 HydrophobicContact CD2-CD2 4.16Å; L838-M902 HydrophobicContact CD2-SD 3.97Å; L838-M902 HydrophobicContact CG-SD 4.31Å
839G80.8Confident89.8Confident50 Ų5046.3 Ų46.352%0.51524%0.241SC..THydrogen-bonded Turntrans51-122.6-178.300000112.3
840E82Confident89.7Confident151 Ų15149.6 Ų49.671%0.70626%0.264SS*.THydrogen-bonded Turntrans-109.819.5175-54.8-170.5161.600112.3L838 D842 I898 M902L838-E840 PolarHBondContact O-N 3.5Å; E840-D842 PolarHBondContact O-N 3.45Å; E840-D842 VanDerWaalsContact O-N 3.16Å; E840-I898 HydrophobicContact CG-CD1 4.08Å; E840-I898 HydrophobicContact CG-CG2 4.27Å; E840-I898 WeakPolarHBondContact OE1-CD1 3.3Å; E840-M902 VanDerWaalsContact C-CE 3.4Å
841D87.8Confident89.5Confident74 Ų7450.7 Ų50.740%0.39627%0.271SS..  trans-8291.6-177.2-171.1-16.9000111.8L838 E843 K844 F845L838-D841 VanDerWaalsContact O-CB 3.29Å; L838-D841 WeakPolarHBondContact O-CB 3.45Å; L838-D841 PolarHBondContact O-N 3.32Å; D841-E843 VanDerWaalsContact C-N 3.28Å; D841-E843 PolarHBondContact O-N 3.46Å; D841-E843 PolarHBondContact OD1-N 3.37Å; D841-E843 VanDerWaalsContact OD1-N 3.13Å; D841-K844 HydrophobicContact CB-CB 4.06Å; D841-K844 VanDerWaalsContact CG-CB 3.48Å; D841-K844 PolarHBondContact O-N 3.35Å; D841-K844 PolarHBondContact OD1-N 2.99Å; D841-K844 WeakPolarHBondContact OD2-CB 3.4Å; D841-F845 PolarHBondContact O-N 3.05Å
842D87.1Confident89.5Confident93 Ų9350.8 Ų50.850%0.49727%0.272SS..Hα-helixtrans-61.1-33.9177-76.7-30.2000112.5E840 F845 L846 M902E840-D842 PolarHBondContact O-N 3.45Å; E840-D842 VanDerWaalsContact O-N 3.16Å; D842-F845 WeakPolarHBondContact O-CB 3.4Å; D842-F845 PolarHBondContact O-N 2.96Å; D842-L846 VanDerWaalsContact O-CG 3.28Å; D842-L846 WeakPolarHBondContact O-CG 3.38Å; D842-L846 PolarHBondContact O-N 3.45Å; D842-M902 WeakPolarHBondContact OD1-CE 3.31Å; D842-M902 WeakPolarHBondContact OD1-CG 3.33Å
843E89.9Confident89.4Confident138 Ų13851 Ų5165%0.64528%0.277SS*.Hα-helixtrans-69.6-44.3-177.5-169.6-176.916400110.7D841 F845 L846 N847D841-E843 VanDerWaalsContact C-N 3.28Å; D841-E843 PolarHBondContact O-N 3.46Å; D841-E843 PolarHBondContact OD1-N 3.37Å; D841-E843 VanDerWaalsContact OD1-N 3.13Å; E843-F845 VanDerWaalsContact C-N 3.28Å; E843-F845 PolarHBondContact O-N 2.86Å; E843-L846 PolarHBondContact O-N 3.44Å; E843-N847 WeakPolarHBondContact O-CB 3.34Å; E843-N847 VanDerWaalsContact O-CG 3.3Å; E843-N847 PolarHBondContact O-N 3.36Å; E843-N847 PolarHBondContact O-ND2 2.91Å
844K90Very high89.3Confident53 Ų5356.4 Ų56.423%0.2330%0.298CS..Hα-helixtrans-60.8-38.5174.6-171.2171.9-176.1172.20111.7L834 E837 L838 D841 F848L834-K844 HydrophobicContact CD1-CG 4.31Å; E837-K844 VanDerWaalsContact CB-NZ 3.27Å; E837-K844 IonicContact OE2-NZ 3.24Å; E837-K844 PolarHBondContact OE2-NZ 3.15Å; L838-K844 HydrophobicContact CD1-CB 4.25Å; L838-K844 HydrophobicContact CD1-CG 4.34Å; D841-K844 HydrophobicContact CB-CB 4.06Å; D841-K844 VanDerWaalsContact CG-CB 3.48Å; D841-K844 PolarHBondContact O-N 3.35Å; D841-K844 PolarHBondContact OD1-N 2.99Å; D841-K844 WeakPolarHBondContact OD2-CB 3.4Å; K844-F848 PolarHBondContact O-N 3.22Å; K844-F848 VanDerWaalsContact O-N 3.11Å
845F92.2Very high89.2Confident4 Ų458.2 Ų58.22%0.01831%0.309CS..Hα-helixtrans-63.1-49.1173.4-178.1-102.8000112L838 D841 D842 E843 N847 F848 V849 M902 L903 W906L838-F845 HydrophobicContact CD1-CB 3.91Å; L838-F845 HydrophobicContact CD2-CD2 4.16Å; D841-F845 PolarHBondContact O-N 3.05Å; D842-F845 WeakPolarHBondContact O-CB 3.4Å; D842-F845 PolarHBondContact O-N 2.96Å; E843-F845 VanDerWaalsContact C-N 3.28Å; E843-F845 PolarHBondContact O-N 2.86Å; F845-N847 VanDerWaalsContact C-N 3.33Å; F845-N847 PolarHBondContact O-N 3.27Å; F845-F848 WeakPolarHBondContact O-CB 3.31Å; F845-F848 PolarHBondContact O-N 3.3Å; F845-F848 VanDerWaalsContact O-N 3.14Å; F845-V849 HydrophobicContact CD1-CG2 4.34Å; F845-V849 HydrophobicContact CD2-CG2 4.3Å; F845-V849 HydrophobicContact CE1-CG2 3.86Å; F845-V849 HydrophobicContact CE2-CG2 3.81Å; F845-V849 HydrophobicContact CZ-CG2 3.56Å; F845-V849 WeakPolarHBondContact O-CG2 3.34Å; F845-V849 PolarHBondContact O-N 2.88Å; F845-M902 HydrophobicContact CB-SD 4.1Å; F845-M902 HydrophobicContact CD1-CB 3.75Å; F845-M902 HydrophobicContact CD2-CB 4.3Å; F845-M902 HydrophobicContact CE1-CB 3.91Å; F845-M902 WeakPolarHBondContact CE1-O 3.29Å; F845-M902 HydrophobicContact CE2-CB 4.44Å; F845-M902 HydrophobicContact CG-CB 3.95Å; F845-M902 HydrophobicContact CG-SD 4.27Å; F845-M902 HydrophobicContact CZ-CB 4.26Å; F845-L903 HydrophobicContact CE2-CB 4.34Å; F845-L903 VanDerWaalsContact CZ-CA 3.47Å; F845-L903 HydrophobicContact CZ-CB 3.67Å; F845-L903 HydrophobicContact CZ-CD1 3.8Å; F845-L903 HydrophobicContact CZ-CG 4.33Å; F845-W906 HydrophobicContact CE1-CB 4.2Å
846L92.3Very high89.3Confident95 Ų9557.3 Ų57.350%0.49731%0.305SS..Hα-helixtrans-63.1-38.8-179.4-72.3172.5000112.2D842 E843 F848 V849 S850D842-L846 VanDerWaalsContact O-CG 3.28Å; D842-L846 WeakPolarHBondContact O-CG 3.38Å; D842-L846 PolarHBondContact O-N 3.45Å; E843-L846 PolarHBondContact O-N 3.44Å; L846-F848 VanDerWaalsContact C-N 3.33Å; L846-F848 PolarHBondContact O-N 3.14Å; L846-V849 PolarHBondContact O-N 2.67Å; L846-S850 PolarHBondContact O-N 3.18Å
847N91.5Very high89.4Confident97 Ų9759.6 Ų59.652%0.51932%0.316SS..Hα-helixtrans-61.9-41.8173.7-74.1-28.9000111.6E843 F845 S850E843-N847 WeakPolarHBondContact O-CB 3.34Å; E843-N847 VanDerWaalsContact O-CG 3.3Å; E843-N847 PolarHBondContact O-N 3.36Å; E843-N847 PolarHBondContact O-ND2 2.91Å; F845-N847 VanDerWaalsContact C-N 3.33Å; F845-N847 PolarHBondContact O-N 3.27Å; N847-S850 WeakPolarHBondContact O-CB 3.3Å; N847-S850 PolarHBondContact O-N 2.94Å
848F94Very high89.6Confident9 Ų960.7 Ų60.74%0.03932%0.321CS..Hα-helixtrans-64.8-40.4174.5175.9-99.8000112.4L794 H797 I830 L834 K844 F845 L846 S850 P851 I890L794-F848 HydrophobicContact CD2-CE2 4.31Å; H797-F848 AromaticContact CE1-CD2 3.69Å; H797-F848 AromaticContact CE1-CE2 3.9Å; H797-F848 PolarHBondContact CE1-O 2.88Å; H797-F848 PolarHBondContact NE2-O 3.35Å; I830-F848 HydrophobicContact CD1-CE2 3.88Å; I830-F848 HydrophobicContact CD1-CZ 3.87Å; I830-F848 HydrophobicContact CG1-CE2 4.09Å; I830-F848 HydrophobicContact CG1-CZ 3.92Å; L834-F848 HydrophobicContact CD1-CB 4.5Å; L834-F848 HydrophobicContact CD2-CB 3.94Å; L834-F848 HydrophobicContact CD2-CD1 3.47Å; L834-F848 VanDerWaalsContact CD2-CD1 3.47Å; L834-F848 HydrophobicContact CD2-CD2 3.97Å; L834-F848 HydrophobicContact CD2-CE1 3.89Å; L834-F848 HydrophobicContact CD2-CE2 4.35Å; L834-F848 HydrophobicContact CD2-CG 3.51Å; L834-F848 HydrophobicContact CD2-CZ 4.32Å; K844-F848 PolarHBondContact O-N 3.22Å; K844-F848 VanDerWaalsContact O-N 3.11Å; F845-F848 WeakPolarHBondContact O-CB 3.31Å; F845-F848 PolarHBondContact O-N 3.3Å; F845-F848 VanDerWaalsContact O-N 3.14Å; L846-F848 VanDerWaalsContact C-N 3.33Å; L846-F848 PolarHBondContact O-N 3.14Å; F848-S850 VanDerWaalsContact C-N 3.34Å; F848-P851 WeakPolarHBondContact O-CD 3.49Å; F848-I890 HydrophobicContact CE1-CD1 4.15Å; F848-I890 HydrophobicContact CE1-CG1 4.35Å
849V93.6Very high89.7Confident0 Ų060.9 Ų60.90%032%0.322CS..Hα-helixtrans-86.6-3.8-177.7-171.40000112.9F845 L846 L852 T853 W906F845-V849 HydrophobicContact CD1-CG2 4.34Å; F845-V849 HydrophobicContact CD2-CG2 4.3Å; F845-V849 HydrophobicContact CE1-CG2 3.86Å; F845-V849 HydrophobicContact CE2-CG2 3.81Å; F845-V849 HydrophobicContact CZ-CG2 3.56Å; F845-V849 WeakPolarHBondContact O-CG2 3.34Å; F845-V849 PolarHBondContact O-N 2.88Å; L846-V849 PolarHBondContact O-N 2.67Å; V849-L852 HydrophobicContact CG1-CB 3.98Å; V849-L852 HydrophobicContact CG1-CD1 4.1Å; V849-L852 WeakPolarHBondContact O-CB 3.37Å; V849-L852 PolarHBondContact O-N 3.4Å; V849-T853 PolarHBondContact O-N 3.42Å; V849-T853 PolarHBondContact O-OG1 3.05Å; V849-W906 HydrophobicContact CG1-CD2 3.61Å; V849-W906 HydrophobicContact CG1-CE3 4.16Å; V849-W906 HydrophobicContact CG1-CG 4.07Å; V849-W906 HydrophobicContact CG1-CH2 4.05Å; V849-W906 HydrophobicContact CG1-CZ2 3.46Å; V849-W906 VanDerWaalsContact CG1-CZ2 3.46Å; V849-W906 HydrophobicContact CG1-CZ3 4.37Å
850S93Very high89.9Confident68 Ų6859.7 Ų59.748%0.47630%0.304SS..Hα-helixtrans-51.9-45.7-179.3174.30000114.3L846 N847 F848 L852 T853 R854L846-S850 PolarHBondContact O-N 3.18Å; N847-S850 WeakPolarHBondContact O-CB 3.3Å; N847-S850 PolarHBondContact O-N 2.94Å; F848-S850 VanDerWaalsContact C-N 3.34Å; S850-L852 VanDerWaalsContact C-N 3.33Å; S850-L852 PolarHBondContact O-N 3.37Å; S850-T853 VanDerWaalsContact O-CB 3.29Å; S850-T853 WeakPolarHBondContact O-CB 3.5Å; S850-T853 PolarHBondContact O-N 3.28Å; S850-T853 VanDerWaalsContact O-N 3.11Å; S850-R854 PolarHBondContact O-N 3.3Å; S850-R854 VanDerWaalsContact O-N 3.08Å
851P91.3Very high90Very high24 Ų2457.2 Ų57.216%0.15629%0.294CS..Hα-helixtrans-60.1-39.9175.6-2738.5000113.6T798 F848 T853 R854 V855T798-P851 HydrophobicContact CG2-CB 4.12Å; T798-P851 HydrophobicContact CG2-CG 4.06Å; F848-P851 WeakPolarHBondContact O-CD 3.49Å; P851-T853 VanDerWaalsContact C-N 3.33Å; P851-R854 PolarHBondContact O-N 3.46Å; P851-V855 PolarHBondContact O-N 3.12Å
852L92.1Very high89.7Confident3 Ų354.4 Ų54.42%0.01628%0.281CS..Hα-helixtrans-69.3-33.2176.4-65.9121000111.6Y827 V849 S850 R854 V855 T856 L883 D886 L887 I890 W906Y827-L852 HydrophobicContact CE1-CD1 4.02Å; V849-L852 HydrophobicContact CG1-CB 3.98Å; V849-L852 HydrophobicContact CG1-CD1 4.1Å; V849-L852 WeakPolarHBondContact O-CB 3.37Å; V849-L852 PolarHBondContact O-N 3.4Å; S850-L852 VanDerWaalsContact C-N 3.33Å; S850-L852 PolarHBondContact O-N 3.37Å; L852-R854 VanDerWaalsContact C-N 3.34Å; L852-V855 PolarHBondContact O-N 3.47Å; L852-T856 WeakPolarHBondContact O-CB 3.44Å; L852-T856 PolarHBondContact O-N 3.36Å; L852-T856 PolarHBondContact O-OG1 2.8Å; L852-L883 HydrophobicContact CD2-CD1 4.03Å; L852-D886 HydrophobicContact CD2-CB 3.64Å; L852-L887 HydrophobicContact CD2-CD2 4.41Å; L852-I890 HydrophobicContact CD1-CD1 3.9Å; L852-I890 HydrophobicContact CD2-CD1 4.35Å; L852-W906 HydrophobicContact CB-CH2 4.19Å; L852-W906 HydrophobicContact CB-CZ2 4.08Å
853T92Very high89.3Confident44 Ų4450.9 Ų50.927%0.2726%0.262SS..Hα-helixtrans-61.7-43.6175.1-52.60000110.5V849 S850 P851 V855 T856 N857 W906V849-T853 PolarHBondContact O-N 3.42Å; V849-T853 PolarHBondContact O-OG1 3.05Å; S850-T853 VanDerWaalsContact O-CB 3.29Å; S850-T853 WeakPolarHBondContact O-CB 3.5Å; S850-T853 PolarHBondContact O-N 3.28Å; S850-T853 VanDerWaalsContact O-N 3.11Å; P851-T853 VanDerWaalsContact C-N 3.33Å; T853-V855 PolarHBondContact O-N 3.26Å; T853-T856 PolarHBondContact O-N 3.45Å; T853-N857 WeakPolarHBondContact O-CB 3.42Å; T853-N857 VanDerWaalsContact O-CG 3.26Å; T853-N857 PolarHBondContact O-N 3.03Å; T853-N857 PolarHBondContact O-ND2 3.05Å; T853-W906 PolarHBondContact OG1-NE1 2.87Å
854R90.1Very high88.3Confident117 Ų11748.6 Ų48.644%0.44225%0.254SS..Hα-helixtrans-59.4-48175-175.4174.668169.72.2111.8E800 S850 P851 L852 N857 Q858E800-R854 IonicContact OE1-NH2 3.26Å; S850-R854 PolarHBondContact O-N 3.3Å; S850-R854 VanDerWaalsContact O-N 3.08Å; P851-R854 PolarHBondContact O-N 3.46Å; L852-R854 VanDerWaalsContact C-N 3.34Å; R854-N857 PolarHBondContact O-N 3.27Å; R854-Q858 VanDerWaalsContact O-CG 3.3Å; R854-Q858 WeakPolarHBondContact O-CG 3.24Å; R854-Q858 PolarHBondContact O-N 2.72Å
855V89.2Confident87.3Confident44 Ų4453.7 Ų53.727%0.26728%0.277SS..Hα-helixtrans-63.9-42.8178.8175.30000111.2P851 L852 T853 Q858 L859P851-V855 PolarHBondContact O-N 3.12Å; L852-V855 PolarHBondContact O-N 3.47Å; T853-V855 PolarHBondContact O-N 3.26Å; V855-Q858 PolarHBondContact O-N 3.05Å; V855-L859 HydrophobicContact CG1-CD1 3.84Å; V855-L859 WeakPolarHBondContact O-CB 3.25Å; V855-L859 WeakPolarHBondContact O-CG 3.46Å; V855-L859 PolarHBondContact O-N 2.67Å
856T90.6Very high85.8Confident9 Ų959.3 Ų59.36%0.05530%0.303CS..Hα-helixtrans-62.9-46178.6-55.70000110.8L852 T853 Q858 L859 I860 L914L852-T856 WeakPolarHBondContact O-CB 3.44Å; L852-T856 PolarHBondContact O-N 3.36Å; L852-T856 PolarHBondContact O-OG1 2.8Å; T853-T856 PolarHBondContact O-N 3.45Å; T856-Q858 PolarHBondContact O-N 2.98Å; T856-L859 PolarHBondContact O-N 3.3Å; T856-I860 HydrophobicContact CG2-CD1 3.91Å; T856-I860 HydrophobicContact CG2-CG1 4.45Å; T856-I860 WeakPolarHBondContact O-CB 3.36Å; T856-I860 VanDerWaalsContact O-CG1 3.24Å; T856-I860 WeakPolarHBondContact O-CG1 3.38Å; T856-I860 PolarHBondContact O-N 2.91Å; T856-L914 HydrophobicContact CG2-CD2 4.15Å
857N90.3Very high84.1Confident83 Ų8363.2 Ų63.244%0.44432%0.324SS..Hα-helixtrans-64.2-40.1177.5-71.7-15.9000112.3T853 R854 L859 I860 I861T853-N857 WeakPolarHBondContact O-CB 3.42Å; T853-N857 VanDerWaalsContact O-CG 3.26Å; T853-N857 PolarHBondContact O-N 3.03Å; T853-N857 PolarHBondContact O-ND2 3.05Å; R854-N857 PolarHBondContact O-N 3.27Å; N857-L859 VanDerWaalsContact C-N 3.34Å; N857-L859 PolarHBondContact O-N 3.13Å; N857-I860 PolarHBondContact O-N 3.15Å; N857-I861 VanDerWaalsContact O-CG1 3.27Å; N857-I861 WeakPolarHBondContact O-CG1 3.3Å; N857-I861 PolarHBondContact O-N 3.3Å
858Q87.1Confident82.3Confident116 Ų11661.1 Ų61.154%0.54232%0.317SS..Hα-helixtrans-60.7-43.2174.1-75.8174.7-14.300111.8R854 V855 T856 I861 A862R854-Q858 VanDerWaalsContact O-CG 3.3Å; R854-Q858 WeakPolarHBondContact O-CG 3.24Å; R854-Q858 PolarHBondContact O-N 2.72Å; V855-Q858 PolarHBondContact O-N 3.05Å; T856-Q858 PolarHBondContact O-N 2.98Å; Q858-I861 PolarHBondContact O-N 3.09Å; Q858-A862 VanDerWaalsContact O-CB 3.27Å; Q858-A862 WeakPolarHBondContact O-CB 3.35Å; Q858-A862 PolarHBondContact O-N 3.17Å
859L87.6Confident80.6Confident6 Ų664.4 Ų64.43%0.03134%0.341CS..Hα-helixtrans-68.7-38.6177.9-74.2165000112.6V855 T856 N857 A862 L863 M880 L883 L914V855-L859 HydrophobicContact CG1-CD1 3.84Å; V855-L859 WeakPolarHBondContact O-CB 3.25Å; V855-L859 WeakPolarHBondContact O-CG 3.46Å; V855-L859 PolarHBondContact O-N 2.67Å; T856-L859 PolarHBondContact O-N 3.3Å; N857-L859 VanDerWaalsContact C-N 3.34Å; N857-L859 PolarHBondContact O-N 3.13Å; L859-A862 PolarHBondContact O-N 3Å; L859-L863 VanDerWaalsContact O-CB 3.29Å; L859-L863 WeakPolarHBondContact O-CB 3.42Å; L859-L863 WeakPolarHBondContact O-CG 3.25Å; L859-L863 PolarHBondContact O-N 3.38Å; L859-M880 HydrophobicContact CB-SD 4.35Å; L859-M880 HydrophobicContact CD1-CG 4.44Å; L859-M880 HydrophobicContact CD1-SD 3.66Å; L859-M880 HydrophobicContact CD2-CG 4.02Å; L859-M880 HydrophobicContact CD2-SD 3.97Å; L859-M880 HydrophobicContact CG-SD 4.21Å; L859-L883 HydrophobicContact CD1-CB 4.43Å; L859-L883 HydrophobicContact CD1-CD2 3.86Å; L859-L914 HydrophobicContact CB-CD1 4.07Å; L859-L914 HydrophobicContact CB-CD2 3.98Å; L859-L914 HydrophobicContact CD1-CD2 4.39Å
860I85.1Confident78.9Confident26 Ų2671.2 Ų71.213%0.13338%0.377CS..Hα-helixtrans-60.2-48.8173.3-72.3169.4000109.8T856 N857 L864 N910 L914T856-I860 HydrophobicContact CG2-CD1 3.91Å; T856-I860 HydrophobicContact CG2-CG1 4.45Å; T856-I860 WeakPolarHBondContact O-CB 3.36Å; T856-I860 VanDerWaalsContact O-CG1 3.24Å; T856-I860 WeakPolarHBondContact O-CG1 3.38Å; T856-I860 PolarHBondContact O-N 2.91Å; N857-I860 PolarHBondContact O-N 3.15Å; I860-L864 HydrophobicContact CG2-CD1 3.77Å; I860-L864 VanDerWaalsContact O-CB 3.22Å; I860-L864 WeakPolarHBondContact O-CB 3.41Å; I860-L864 WeakPolarHBondContact O-CG 3.2Å; I860-L864 PolarHBondContact O-N 2.87Å; I860-N910 HydrophobicContact CD1-CB 4.13Å; I860-L914 HydrophobicContact CG1-CD1 4.29Å
861I83.9Confident77.1Confident98 Ų9874 Ų7450%0.50339%0.386SS..Hα-helixtrans-61.1-49.3178.7-66.7165.2000110.3N857 Q858 F865N857-I861 VanDerWaalsContact O-CG1 3.27Å; N857-I861 WeakPolarHBondContact O-CG1 3.3Å; N857-I861 PolarHBondContact O-N 3.3Å; Q858-I861 PolarHBondContact O-N 3.09Å; I861-F865 WeakPolarHBondContact O-CB 3.41Å; I861-F865 PolarHBondContact O-N 3.46Å; I861-F865 VanDerWaalsContact O-N 3.11Å
862A81.7Confident76.3Confident15 Ų1575.3 Ų75.312%0.12439%0.392CS..Hα-helixtrans-67.1-38.6-175.500000113.6Q858 L859 M876Q858-A862 VanDerWaalsContact O-CB 3.27Å; Q858-A862 WeakPolarHBondContact O-CB 3.35Å; Q858-A862 PolarHBondContact O-N 3.17Å; L859-A862 PolarHBondContact O-N 3Å; A862-M876 HydrophobicContact CB-CG 4.43Å; A862-M876 HydrophobicContact CB-SD 3.78Å
863L77.9Confident75.7Confident19 Ų1978.3 Ų78.310%0.09941%0.406CS..Hα-helixtrans-89-31.2-176-69.8170.7000113.7L859 M876 M880 L914 H917 L921 W922L859-L863 VanDerWaalsContact O-CB 3.29Å; L859-L863 WeakPolarHBondContact O-CB 3.42Å; L859-L863 WeakPolarHBondContact O-CG 3.25Å; L859-L863 PolarHBondContact O-N 3.38Å; L863-M876 HydrophobicContact CD2-CE 4.2Å; L863-M876 HydrophobicContact CD2-SD 3.73Å; L863-M876 HydrophobicContact CG-SD 4.16Å; L863-M880 HydrophobicContact CD1-CG 4.39Å; L863-M880 HydrophobicContact CD1-SD 4.14Å; L863-L914 HydrophobicContact CD1-CD1 3.73Å; L863-H917 PolarHBondContact O-NE2 2.91Å; L863-L921 HydrophobicContact CD2-CD1 3.77Å; L863-W922 HydrophobicContact CD1-CH2 4.45Å; L863-W922 HydrophobicContact CD2-CH2 3.73Å; L863-W922 HydrophobicContact CD2-CZ2 4.35Å
864L69.6Low75.2Confident91 Ų9179 Ų7948%0.47641%0.405SS..Hα-helixtrans-93.8-20.6-177-61.1173.5000113.5I860I860-L864 HydrophobicContact CG2-CD1 3.77Å; I860-L864 VanDerWaalsContact O-CB 3.22Å; I860-L864 WeakPolarHBondContact O-CB 3.41Å; I860-L864 WeakPolarHBondContact O-CG 3.2Å; I860-L864 PolarHBondContact O-N 2.87Å
865F69.1Low74.7Confident160 Ų16076 Ų7670%0.70240%0.398SS*.Hα-helixtrans-122.8-18.6-171.9-60.5-88.3000116.2I861I861-F865 WeakPolarHBondContact O-CB 3.41Å; I861-F865 PolarHBondContact O-N 3.46Å; I861-F865 VanDerWaalsContact O-N 3.11Å
866E59.8Low74.4Confident122 Ų12274.3 Ų74.357%0.5739%0.387SS*.  trans-120.3133.6-176.1-77.4-172.5159.200114.3S868E866-S868 PolarHBondContact O-N 3.31Å
867D57.2Low74.3Confident176 Ų17675.6 Ų75.694%0.94139%0.392SS*.  trans-73.5102.7169.8-79.2-34000110.3
868S53.9Low74Confident54 Ų5472.1 Ų72.138%0.37837%0.373SS..  trans-72.4136.4-166.463.60000115.5E866E866-S868 PolarHBondContact O-N 3.31Å
869S57Low74Confident77 Ų7768.1 Ų68.154%0.53836%0.358SS..  trans-72.7153.7163.662.90000112.4L871 N872 Q873S869-L871 VanDerWaalsContact C-N 3.32Å; S869-L871 PolarHBondContact O-N 2.88Å; S869-N872 WeakPolarHBondContact O-CB 3.34Å; S869-N872 PolarHBondContact O-N 3.4Å; S869-Q873 PolarHBondContact O-N 3.19Å; S869-Q873 VanDerWaalsContact O-N 3.08Å
870N59.4Low74.1Confident143 Ų14367.9 Ų67.977%0.76536%0.357SS*.Hα-helixtrans-54.4-39-175.7-83.2-9.8000114.5Q873N870-Q873 WeakPolarHBondContact O-CB 3.28Å; N870-Q873 PolarHBondContact O-N 3.34Å
871L55.1Low74.3Confident126 Ų12666.9 Ų66.966%0.6635%0.352SS*.Hα-helixtrans-69.1-37.4178.3-171.270.9000111.4S869 Q873 K874 L875S869-L871 VanDerWaalsContact C-N 3.32Å; S869-L871 PolarHBondContact O-N 2.88Å; L871-Q873 VanDerWaalsContact C-N 3.26Å; L871-Q873 PolarHBondContact O-N 3.02Å; L871-K874 PolarHBondContact O-N 3.42Å; L871-L875 PolarHBondContact O-N 3.28Å
872N73.8Confident74.6Confident52 Ų5262.3 Ų62.328%0.27833%0.328SS..Hα-helixtrans-64.2-35.9176.2-156.414.5000110.3S869 K874 L875 M876S869-N872 WeakPolarHBondContact O-CB 3.34Å; S869-N872 PolarHBondContact O-N 3.4Å; N872-K874 PolarHBondContact O-N 3.35Å; N872-L875 PolarHBondContact O-N 3.24Å; N872-M876 WeakPolarHBondContact O-CB 3.43Å; N872-M876 VanDerWaalsContact O-CG 3.26Å; N872-M876 WeakPolarHBondContact O-CG 3.47Å; N872-M876 PolarHBondContact O-N 3.45Å
873Q80.2Confident75.1Confident66 Ų6661.8 Ų61.831%0.30832%0.324SS..Hα-helixtrans-60-44.9177.8-158.1-174.332.700113.4S869 N870 L871 L875 M876 K877 W922S869-Q873 PolarHBondContact O-N 3.19Å; S869-Q873 VanDerWaalsContact O-N 3.08Å; N870-Q873 WeakPolarHBondContact O-CB 3.28Å; N870-Q873 PolarHBondContact O-N 3.34Å; L871-Q873 VanDerWaalsContact C-N 3.26Å; L871-Q873 PolarHBondContact O-N 3.02Å; Q873-L875 VanDerWaalsContact C-N 3.34Å; Q873-L875 PolarHBondContact O-N 3.33Å; Q873-M876 HydrophobicContact CB-CE 4.27Å; Q873-M876 HydrophobicContact CG-CE 4.34Å; Q873-M876 PolarHBondContact O-N 3.5Å; Q873-K877 VanDerWaalsContact O-CG 3.28Å; Q873-K877 WeakPolarHBondContact O-CG 3.43Å; Q873-K877 PolarHBondContact O-N 2.93Å; Q873-W922 HydrophobicContact CG-CZ2 4.11Å; Q873-W922 VanDerWaalsContact NE2-NE1 3.17Å
874K79.9Confident75.8Confident59 Ų5960.9 Ų60.926%0.25732%0.319SS..Hα-helixtrans-61.1-43.8177.7-173.4179.4-179.3-174.60111.4T809 M811 L813 L871 N872 K877 L878T809-K874 PolarHBondContact O-NZ 2.74Å; M811-K874 PolarHBondContact O-NZ 2.95Å; L813-K874 HydrophobicContact CD1-CG 4.41Å; L871-K874 PolarHBondContact O-N 3.42Å; N872-K874 PolarHBondContact O-N 3.35Å; K874-K877 PolarHBondContact O-N 2.81Å; K874-L878 HydrophobicContact CG-CD1 4.41Å; K874-L878 WeakPolarHBondContact O-CG 3.32Å; K874-L878 PolarHBondContact O-N 3.11Å; K874-L878 VanDerWaalsContact O-N 3.1Å
875L81.1Confident77Confident55 Ų5557.6 Ų57.629%0.28830%0.3SS..Hα-helixtrans-64.3-43.9177.7-76.5165.6000111.7T809 L871 N872 Q873 K877 L878 S879T809-L875 HydrophobicContact CG2-CD2 3.56Å; T809-L875 HydrophobicContact CG2-CG 3.84Å; L871-L875 PolarHBondContact O-N 3.28Å; N872-L875 PolarHBondContact O-N 3.24Å; Q873-L875 VanDerWaalsContact C-N 3.34Å; Q873-L875 PolarHBondContact O-N 3.33Å; L875-K877 PolarHBondContact O-N 2.68Å; L875-L878 PolarHBondContact O-N 3.08Å; L875-S879 WeakPolarHBondContact O-CB 3.28Å; L875-S879 PolarHBondContact O-N 3.02Å; L875-S879 PolarHBondContact O-OG 3.31Å; L875-S879 VanDerWaalsContact O-OG 3.1Å
876M82.7Confident78.1Confident7 Ų750.3 Ų50.33%0.03427%0.268CS..Hα-helixtrans-59.2-46175.9-72.3-170.9-60.500111.6A862 L863 N872 Q873 L878 S879 M880 W922A862-M876 HydrophobicContact CB-CG 4.43Å; A862-M876 HydrophobicContact CB-SD 3.78Å; L863-M876 HydrophobicContact CD2-CE 4.2Å; L863-M876 HydrophobicContact CD2-SD 3.73Å; L863-M876 HydrophobicContact CG-SD 4.16Å; N872-M876 WeakPolarHBondContact O-CB 3.43Å; N872-M876 VanDerWaalsContact O-CG 3.26Å; N872-M876 WeakPolarHBondContact O-CG 3.47Å; N872-M876 PolarHBondContact O-N 3.45Å; Q873-M876 HydrophobicContact CB-CE 4.27Å; Q873-M876 HydrophobicContact CG-CE 4.34Å; Q873-M876 PolarHBondContact O-N 3.5Å; M876-L878 PolarHBondContact O-N 2.91Å; M876-S879 PolarHBondContact O-N 2.91Å; M876-M880 WeakPolarHBondContact O-CB 3.5Å; M876-M880 WeakPolarHBondContact O-CG 3.13Å; M876-M880 PolarHBondContact O-N 2.89Å; M876-W922 HydrophobicContact CB-CH2 4.43Å
877K87.1Confident79.8Confident36 Ų3644.6 Ų44.616%0.15724%0.242CC..Hα-helixtrans-58.1-47.5176.6-70.4-177.3164.1-156.50112Q873 K874 L875 M880 I881 W922 D925 I928Q873-K877 VanDerWaalsContact O-CG 3.28Å; Q873-K877 WeakPolarHBondContact O-CG 3.43Å; Q873-K877 PolarHBondContact O-N 2.93Å; K874-K877 PolarHBondContact O-N 2.81Å; L875-K877 PolarHBondContact O-N 2.68Å; K877-M880 PolarHBondContact O-N 3.05Å; K877-I881 VanDerWaalsContact O-CG1 3.27Å; K877-I881 WeakPolarHBondContact O-CG1 3.29Å; K877-I881 PolarHBondContact O-N 2.98Å; K877-W922 HydrophobicContact CG-CD2 4.25Å; K877-W922 HydrophobicContact CG-CH2 4.25Å; K877-W922 HydrophobicContact CG-CZ2 3.87Å; K877-D925 IonicContact NZ-OD2 3.1Å; K877-D925 PolarHBondContact NZ-OD2 2.85Å; K877-I928 HydrophobicContact CB-CD1 3.75Å; K877-I928 HydrophobicContact CB-CG1 4.4Å; K877-I928 HydrophobicContact CD-CD1 3.72Å; K877-I928 HydrophobicContact CG-CD1 3.45Å; K877-I928 VanDerWaalsContact CG-CD1 3.45Å
878L85.4Confident81.7Confident11 Ų1137.8 Ų37.86%0.05820%0.203CC..Hα-helixtrans-64-42.5178.9-70.3174.3000112.1P807 L813 S816 K874 L875 M876 I881 G882P807-L878 HydrophobicContact CB-CB 3.83Å; P807-L878 HydrophobicContact CB-CD1 4.46Å; L813-L878 HydrophobicContact CD2-CD2 4.07Å; S816-L878 WeakPolarHBondContact OG-CD2 3.41Å; K874-L878 HydrophobicContact CG-CD1 4.41Å; K874-L878 WeakPolarHBondContact O-CG 3.32Å; K874-L878 PolarHBondContact O-N 3.11Å; K874-L878 VanDerWaalsContact O-N 3.1Å; L875-L878 PolarHBondContact O-N 3.08Å; M876-L878 PolarHBondContact O-N 2.91Å; L878-I881 PolarHBondContact O-N 2.9Å; L878-G882 PolarHBondContact O-N 2.94Å
879S86.8Confident83.6Confident32 Ų3235.2 Ų35.222%0.22419%0.185CC..Hα-helixtrans-63.8-39.3175.8-67.30000112.1L875 M876 G882 L883L875-S879 WeakPolarHBondContact O-CB 3.28Å; L875-S879 PolarHBondContact O-N 3.02Å; L875-S879 PolarHBondContact O-OG 3.31Å; L875-S879 VanDerWaalsContact O-OG 3.1Å; M876-S879 PolarHBondContact O-N 2.91Å; S879-G882 PolarHBondContact O-N 3Å; S879-L883 WeakPolarHBondContact O-CB 3.44Å; S879-L883 PolarHBondContact O-N 3.34Å
880M89.1Confident85.4Confident0 Ų031.6 Ų31.60%016%0.16CC..Hα-helixtrans-63.9-45.8173.8-78.7-55.8-45.500112.6L859 L863 M876 K877 G882 L883 A884 L914 F915 A918 W922 I932L859-M880 HydrophobicContact CB-SD 4.35Å; L859-M880 HydrophobicContact CD1-CG 4.44Å; L859-M880 HydrophobicContact CD1-SD 3.66Å; L859-M880 HydrophobicContact CD2-CG 4.02Å; L859-M880 HydrophobicContact CD2-SD 3.97Å; L859-M880 HydrophobicContact CG-SD 4.21Å; L863-M880 HydrophobicContact CD1-CG 4.39Å; L863-M880 HydrophobicContact CD1-SD 4.14Å; M876-M880 WeakPolarHBondContact O-CB 3.5Å; M876-M880 WeakPolarHBondContact O-CG 3.13Å; M876-M880 PolarHBondContact O-N 2.89Å; K877-M880 PolarHBondContact O-N 3.05Å; M880-G882 VanDerWaalsContact C-N 3.3Å; M880-G882 PolarHBondContact O-N 3.13Å; M880-L883 PolarHBondContact O-N 3.16Å; M880-A884 WeakPolarHBondContact O-CB 3.21Å; M880-A884 PolarHBondContact O-N 3.11Å; M880-L914 HydrophobicContact CE-CD2 4.26Å; M880-L914 HydrophobicContact CE-CG 4.1Å; M880-L914 HydrophobicContact SD-CD1 4.17Å; M880-L914 HydrophobicContact SD-CD2 3.94Å; M880-L914 HydrophobicContact SD-CG 3.92Å; M880-F915 HydrophobicContact CE-CD1 3.67Å; M880-F915 HydrophobicContact CE-CE1 3.86Å; M880-A918 HydrophobicContact CE-CB 3.94Å; M880-W922 HydrophobicContact CG-CZ3 4.2Å; M880-I932 HydrophobicContact CE-CD1 4.26Å
881I89.6Confident87.1Confident6 Ų624.9 Ų24.93%0.03112%0.123CC..Hα-helixtrans-59.3-46.8175.2-66.8165.7000109.5K877 L878 A884 R885 T927 I928 P931K877-I881 VanDerWaalsContact O-CG1 3.27Å; K877-I881 WeakPolarHBondContact O-CG1 3.29Å; K877-I881 PolarHBondContact O-N 2.98Å; L878-I881 PolarHBondContact O-N 2.9Å; I881-A884 PolarHBondContact O-N 3.46Å; I881-R885 HydrophobicContact CG2-CG 4.3Å; I881-R885 WeakPolarHBondContact O-CB 3.34Å; I881-R885 WeakPolarHBondContact O-CG 3.48Å; I881-R885 PolarHBondContact O-N 2.89Å; I881-T927 WeakPolarHBondContact CD1-O 3.44Å; I881-T927 WeakPolarHBondContact CG1-O 3.44Å; I881-I928 HydrophobicContact CD1-CG1 3.88Å; I881-I928 HydrophobicContact CG1-CB 4.36Å; I881-I928 HydrophobicContact CG1-CG1 3.87Å; I881-P931 HydrophobicContact CG2-CG 4.33Å
882G89.6Confident88.8Confident1 Ų124.7 Ų24.71%0.0112%0.115CC..Hα-helixtrans-56.5-54177.100000112.4L878 S879 M880 A884 R885 D886L878-G882 PolarHBondContact O-N 2.94Å; S879-G882 PolarHBondContact O-N 3Å; M880-G882 VanDerWaalsContact C-N 3.3Å; M880-G882 PolarHBondContact O-N 3.13Å; G882-A884 PolarHBondContact O-N 3.39Å; G882-R885 PolarHBondContact O-N 3.48Å; G882-R885 VanDerWaalsContact O-N 3.11Å; G882-D886 PolarHBondContact O-N 3.45Å; G882-D886 VanDerWaalsContact O-OD1 3.08Å
883L92.2Very high89.6Confident4 Ų422.6 Ų22.62%0.02110%0.104CC..Hα-helixtrans-57.2-45.9179.5-179.963.2000112L852 L859 S879 M880 R885 D886 L887 L914L852-L883 HydrophobicContact CD2-CD1 4.03Å; L859-L883 HydrophobicContact CD1-CB 4.43Å; L859-L883 HydrophobicContact CD1-CD2 3.86Å; S879-L883 WeakPolarHBondContact O-CB 3.44Å; S879-L883 PolarHBondContact O-N 3.34Å; M880-L883 PolarHBondContact O-N 3.16Å; L883-R885 VanDerWaalsContact C-N 3.34Å; L883-R885 PolarHBondContact O-N 2.95Å; L883-D886 PolarHBondContact O-N 3.46Å; L883-L887 HydrophobicContact CD1-CD1 3.89Å; L883-L887 HydrophobicContact CD1-CG 4.13Å; L883-L887 HydrophobicContact CG-CD1 3.95Å; L883-L887 WeakPolarHBondContact O-CB 3.46Å; L883-L887 WeakPolarHBondContact O-CG 3.17Å; L883-L887 PolarHBondContact O-N 3.36Å; L883-L914 HydrophobicContact CD2-CD2 3.79Å
884A94.1Very high90.1Very high0 Ų019.6 Ų19.60%09%0.09CC..Hα-helixtrans-60.4-44.3176.800000111.5M880 I881 G882 D886 R888 F915 P931 I932 T935M880-A884 WeakPolarHBondContact O-CB 3.21Å; M880-A884 PolarHBondContact O-N 3.11Å; I881-A884 PolarHBondContact O-N 3.46Å; G882-A884 PolarHBondContact O-N 3.39Å; A884-D886 PolarHBondContact O-N 3.49Å; A884-R888 VanDerWaalsContact O-CB 3.28Å; A884-R888 WeakPolarHBondContact O-CB 3.46Å; A884-R888 PolarHBondContact O-N 3.44Å; A884-F915 HydrophobicContact CB-CE1 4.07Å; A884-F915 HydrophobicContact CB-CZ 4.27Å; A884-P931 HydrophobicContact CB-CB 4.04Å; A884-I932 HydrophobicContact CB-CG1 4.12Å; A884-T935 PolarHBondContact O-OG1 3.24Å
885R92.9Very high90.3Very high23 Ų2319.4 Ų19.49%0.0879%0.092CC..Hα-helixtrans-65.5-39.3180-69-72.2-176.7172.50.6113.1S820 R823 T824 I881 G882 L883 G889S820-R885 WeakPolarHBondContact O-CG 3.44Å; R823-R885 HydrophobicContact CB-CB 4.19Å; T824-R885 WeakPolarHBondContact CA-O 3.3Å; T824-R885 VanDerWaalsContact OG1-CD 3.31Å; T824-R885 WeakPolarHBondContact OG1-CD 3.35Å; T824-R885 PolarHBondContact OG1-O 2.87Å; I881-R885 HydrophobicContact CG2-CG 4.3Å; I881-R885 WeakPolarHBondContact O-CB 3.34Å; I881-R885 WeakPolarHBondContact O-CG 3.48Å; I881-R885 PolarHBondContact O-N 2.89Å; G882-R885 PolarHBondContact O-N 3.48Å; G882-R885 VanDerWaalsContact O-N 3.11Å; L883-R885 VanDerWaalsContact C-N 3.34Å; L883-R885 PolarHBondContact O-N 2.95Å; R885-G889 PolarHBondContact O-N 2.94Å; R885-G889 VanDerWaalsContact O-N 3.17Å
886D94.2Very high90.4Very high6 Ų621.3 Ų21.33%0.03210%0.103CC..Hα-helixtrans-66.7-52.4178.6-60.3-8.7000110R823 Y827 L852 G882 L883 A884 R888 G889 I890R823-D886 WeakPolarHBondContact CB-OD1 3.31Å; R823-D886 IonicContact CZ-OD1 3.09Å; R823-D886 IonicContact CZ-OD2 3.47Å; R823-D886 IonicContact NE-OD1 3.96Å; R823-D886 PolarHBondContact NE-OD1 3.24Å; R823-D886 IonicContact NE-OD2 3.03Å; R823-D886 IonicContact NH2-OD1 3.93Å; R823-D886 PolarHBondContact NH2-OD1 2.98Å; R823-D886 IonicContact NH2-OD2 3.04Å; R823-D886 PolarHBondContact NH2-OD2 2.98Å; Y827-D886 WeakPolarHBondContact CB-O 3.34Å; Y827-D886 HydrophobicContact CD1-CB 4.34Å; Y827-D886 HydrophobicContact CD2-CB 3.49Å; Y827-D886 VanDerWaalsContact CD2-CB 3.49Å; Y827-D886 VanDerWaalsContact CD2-CG 3.41Å; Y827-D886 VanDerWaalsContact CD2-OD1 3.28Å; Y827-D886 WeakPolarHBondContact CD2-OD1 3.48Å; Y827-D886 HydrophobicContact CE1-CB 4.36Å; Y827-D886 HydrophobicContact CE2-CB 3.5Å; Y827-D886 WeakPolarHBondContact CE2-OD1 3.13Å; Y827-D886 WeakPolarHBondContact CE2-OD2 3.47Å; Y827-D886 HydrophobicContact CG-CB 3.92Å; L852-D886 HydrophobicContact CD2-CB 3.64Å; G882-D886 PolarHBondContact O-N 3.45Å; G882-D886 VanDerWaalsContact O-OD1 3.08Å; L883-D886 PolarHBondContact O-N 3.46Å; A884-D886 PolarHBondContact O-N 3.49Å; D886-R888 VanDerWaalsContact C-N 3.29Å; D886-R888 PolarHBondContact O-N 2.79Å; D886-G889 WeakPolarHBondContact O-CA 3.42Å; D886-G889 PolarHBondContact O-N 3.35Å; D886-I890 WeakPolarHBondContact O-CG1 3.5Å; D886-I890 PolarHBondContact O-N 3.11Å
887L95.3Very high90.6Very high2 Ų225.3 Ų25.31%0.0112%0.12CC..Hα-helixtrans-59.7-39.1178.2-71.6174.5000112.2L852 L883 G889 I890 L891 L903 W906 L907 F915 T935L852-L887 HydrophobicContact CD2-CD2 4.41Å; L883-L887 HydrophobicContact CD1-CD1 3.89Å; L883-L887 HydrophobicContact CD1-CG 4.13Å; L883-L887 HydrophobicContact CG-CD1 3.95Å; L883-L887 WeakPolarHBondContact O-CB 3.46Å; L883-L887 WeakPolarHBondContact O-CG 3.17Å; L883-L887 PolarHBondContact O-N 3.36Å; L887-G889 VanDerWaalsContact C-N 3.3Å; L887-G889 PolarHBondContact O-N 3.08Å; L887-I890 HydrophobicContact CD2-CD1 4.44Å; L887-I890 PolarHBondContact O-N 2.73Å; L887-L891 WeakPolarHBondContact O-CB 3.32Å; L887-L891 VanDerWaalsContact O-CG 3.28Å; L887-L891 WeakPolarHBondContact O-CG 3.36Å; L887-L891 PolarHBondContact O-N 3.5Å; L887-L903 HydrophobicContact CD2-CD1 4.28Å; L887-W906 HydrophobicContact CD1-CH2 4.49Å; L887-W906 HydrophobicContact CD1-CZ3 4.16Å; L887-W906 HydrophobicContact CD2-CE3 4.34Å; L887-W906 HydrophobicContact CD2-CH2 3.91Å; L887-W906 HydrophobicContact CD2-CZ3 3.42Å; L887-W906 VanDerWaalsContact CD2-CZ3 3.42Å; L887-W906 HydrophobicContact CG-CZ3 4.42Å; L887-L907 HydrophobicContact CD1-CD1 3.94Å; L887-F915 HydrophobicContact CD1-CE2 4.26Å; L887-F915 HydrophobicContact CD1-CZ 3.81Å; L887-T935 HydrophobicContact CB-CG2 4.01Å
888R95.4Very high90.6Very high34 Ų3427.4 Ų27.413%0.12813%0.132CC..Hα-helixtrans-61.1-40.1174-172.5174.3179-115.7-3112.2T824 A884 D886 Y892 T935 E938T824-R888 HydrophobicContact CG2-CB 4.37Å; T824-R888 HydrophobicContact CG2-CG 4.19Å; A884-R888 VanDerWaalsContact O-CB 3.28Å; A884-R888 WeakPolarHBondContact O-CB 3.46Å; A884-R888 PolarHBondContact O-N 3.44Å; D886-R888 VanDerWaalsContact C-N 3.29Å; D886-R888 PolarHBondContact O-N 2.79Å; R888-Y892 VanDerWaalsContact O-CB 3.27Å; R888-Y892 WeakPolarHBondContact O-CB 3.45Å; R888-Y892 PolarHBondContact O-N 2.97Å; R888-T935 HydrophobicContact CB-CG2 4.11Å; R888-E938 HydrophobicContact CG-CB 4.41Å
889G94.5Very high90.7Very high0 Ų027 Ų270%013%0.13CC..Hα-helixtrans-64.7-44.1176.500000111.9T824 A828 R885 D886 L887 Y892 S893T824-G889 VanDerWaalsContact O-CA 3.3Å; T824-G889 WeakPolarHBondContact O-CA 3.21Å; A828-G889 WeakPolarHBondContact CA-O 3.15Å; A828-G889 WeakPolarHBondContact CB-O 3.45Å; R885-G889 PolarHBondContact O-N 2.94Å; R885-G889 VanDerWaalsContact O-N 3.17Å; D886-G889 WeakPolarHBondContact O-CA 3.42Å; D886-G889 PolarHBondContact O-N 3.35Å; L887-G889 VanDerWaalsContact C-N 3.3Å; L887-G889 PolarHBondContact O-N 3.08Å; G889-Y892 PolarHBondContact O-N 3.43Å; G889-S893 PolarHBondContact O-N 3.47Å; G889-S893 PolarHBondContact O-OG 3.33Å
890I95.2Very high90.9Very high1 Ų125.4 Ų25.41%0.00512%0.119CC..Hα-helixtrans-60.1-56.1175.3-58.6170.2000109.6Y827 S831 F848 L852 D886 L887 Y892 S893 L894 L903Y827-I890 HydrophobicContact CD1-CD1 3.98Å; Y827-I890 HydrophobicContact CD1-CG1 3.86Å; Y827-I890 HydrophobicContact CE1-CD1 4.45Å; Y827-I890 HydrophobicContact CG-CG1 4.38Å; S831-I890 WeakPolarHBondContact OG-CA 3.42Å; S831-I890 WeakPolarHBondContact OG-CG1 3.3Å; F848-I890 HydrophobicContact CE1-CD1 4.15Å; F848-I890 HydrophobicContact CE1-CG1 4.35Å; L852-I890 HydrophobicContact CD1-CD1 3.9Å; L852-I890 HydrophobicContact CD2-CD1 4.35Å; D886-I890 WeakPolarHBondContact O-CG1 3.5Å; D886-I890 PolarHBondContact O-N 3.11Å; L887-I890 HydrophobicContact CD2-CD1 4.44Å; L887-I890 PolarHBondContact O-N 2.73Å; I890-Y892 PolarHBondContact O-N 3.36Å; I890-S893 WeakPolarHBondContact O-CA 3.32Å; I890-S893 WeakPolarHBondContact O-CB 3.22Å; I890-S893 PolarHBondContact O-N 2.85Å; I890-L894 HydrophobicContact CG2-CD1 3.84Å; I890-L894 HydrophobicContact CG2-CG 4.07Å; I890-L894 WeakPolarHBondContact O-CG 3.4Å; I890-L894 PolarHBondContact O-N 3.39Å; I890-L894 VanDerWaalsContact O-N 3.15Å; I890-L903 HydrophobicContact CG2-CD2 3.98Å
891L94.1Very high90.8Very high1 Ų127.6 Ų27.61%0.00513%0.129CC..Hα-helixtrans-55.2-38.1179.3-75.6164.9000113.1L887 S893 L894 Y900 L903 T935 E938 L939 R943 R946L887-L891 WeakPolarHBondContact O-CB 3.32Å; L887-L891 VanDerWaalsContact O-CG 3.28Å; L887-L891 WeakPolarHBondContact O-CG 3.36Å; L887-L891 PolarHBondContact O-N 3.5Å; L891-S893 PolarHBondContact O-N 2.89Å; L891-L894 PolarHBondContact O-N 3.33Å; L891-Y900 HydrophobicContact CD2-CD2 4.35Å; L891-Y900 HydrophobicContact CD2-CE2 3.95Å; L891-L903 HydrophobicContact CD2-CD2 3.38Å; L891-L903 HydrophobicContact CD2-CG 4.5Å; L891-L903 HydrophobicContact CG-CD2 3.63Å; L891-T935 HydrophobicContact CD1-CG2 4.02Å; L891-E938 HydrophobicContact CB-CG 3.74Å; L891-L939 HydrophobicContact CD1-CB 4Å; L891-L939 HydrophobicContact CD1-CD1 3.94Å; L891-L939 HydrophobicContact CD2-CD1 3.51Å; L891-L939 HydrophobicContact CG-CD1 4.38Å; L891-R943 PolarHBondContact O-NH2 3.38Å; L891-R946 PolarHBondContact O-NH1 2.79Å
892Y92.2Very high90.9Very high123 Ų12327.8 Ų27.848%0.48213%0.13SC..Hα-helixtrans-61.2-25.5177.3-176-96.7000112.9A828 R888 G889 I890 R943A828-Y892 HydrophobicContact CB-CD1 4.16Å; R888-Y892 VanDerWaalsContact O-CB 3.27Å; R888-Y892 WeakPolarHBondContact O-CB 3.45Å; R888-Y892 PolarHBondContact O-N 2.97Å; G889-Y892 PolarHBondContact O-N 3.43Å; I890-Y892 PolarHBondContact O-N 3.36Å; Y892-R943 VanDerWaalsContact CA-NH2 3.29Å; Y892-R943 VanDerWaalsContact CD2-NH1 3.34Å; Y892-R943 VanDerWaalsContact CE2-NH1 3.34Å; Y892-R943 PolarHBondContact O-NH1 3.38Å; Y892-R943 PolarHBondContact O-NH2 3.24Å
893S90.9Very high91Very high8 Ų827.8 Ų27.86%0.05613%0.13CC..Hα-helixtrans-97.6-26.2-175.6-50.70000113.5A828 G889 I890 L891 N895A828-S893 WeakPolarHBondContact CA-OG 3.45Å; A828-S893 PolarHBondContact O-OG 3Å; G889-S893 PolarHBondContact O-N 3.47Å; G889-S893 PolarHBondContact O-OG 3.33Å; I890-S893 WeakPolarHBondContact O-CA 3.32Å; I890-S893 WeakPolarHBondContact O-CB 3.22Å; I890-S893 PolarHBondContact O-N 2.85Å; L891-S893 PolarHBondContact O-N 2.89Å; S893-N895 PolarHBondContact O-N 2.88Å
894L89.7Confident90.9Very high2 Ų228 Ų281%0.0113%0.131CC..  trans-77.385.8-180-58.6-175.4000110.3M835 I890 L891 L903 R946M835-L894 HydrophobicContact CG-CD2 3.83Å; M835-L894 HydrophobicContact SD-CD2 3.31Å; M835-L894 WeakPolarHBondContact SD-CD2 3.44Å; I890-L894 HydrophobicContact CG2-CD1 3.84Å; I890-L894 HydrophobicContact CG2-CG 4.07Å; I890-L894 WeakPolarHBondContact O-CG 3.4Å; I890-L894 PolarHBondContact O-N 3.39Å; I890-L894 VanDerWaalsContact O-N 3.15Å; L891-L894 PolarHBondContact O-N 3.33Å; L894-L903 HydrophobicContact CD1-CB 3.64Å; L894-L903 HydrophobicContact CD1-CD2 3.56Å; L894-L903 HydrophobicContact CD1-CG 4.21Å; L894-R946 WeakPolarHBondContact O-CD 3.42Å; L894-R946 PolarHBondContact O-NH1 3.31Å
895N84.5Confident90.6Very high56 Ų5633 Ų3330%0.29916%0.157SC..  trans-90.8-14.6178.4-67.1-23.9000113.2S893 R943S893-N895 PolarHBondContact O-N 2.88Å; N895-R943 PolarHBondContact OD1-NH2 3.38Å
896N83.7Confident90.7Very high94 Ų9434.2 Ų34.250%0.50316%0.162SC..SBendtrans-91.3140.9-178.8-61.1-0.2000110.6M835 I898 S899 Y900M835-N896 HydrophobicContact CE-CB 3.85Å; M835-N896 WeakPolarHBondContact CE-ND2 3.46Å; N896-I898 VanDerWaalsContact C-N 3.35Å; N896-I898 PolarHBondContact O-N 2.58Å; N896-S899 PolarHBondContact O-N 3.49Å; N896-Y900 WeakPolarHBondContact O-CB 3.42Å; N896-Y900 PolarHBondContact O-N 3.28Å
897K85.9Confident90.6Very high92 Ų9234.1 Ų34.140%0.416%0.161SC..Hα-helixtrans-55-45179.3179.5175.6173.3175.80113.2Q901 L948K897-Q901 WeakPolarHBondContact O-CB 3.46Å; K897-Q901 PolarHBondContact O-N 3.31Å; K897-L948 VanDerWaalsContact CE-O 3.25Å; K897-L948 WeakPolarHBondContact CE-O 3.3Å; K897-L948 PolarHBondContact NZ-O 3.08Å
898I87.2Confident90.3Very high79 Ų7938.4 Ų38.441%0.40518%0.178SC..Hα-helixtrans-63-54.2-177.2-63.6166.1000110.6E840 N896 Y900 Q901 M902E840-I898 HydrophobicContact CG-CD1 4.08Å; E840-I898 HydrophobicContact CG-CG2 4.27Å; E840-I898 WeakPolarHBondContact OE1-CD1 3.3Å; N896-I898 VanDerWaalsContact C-N 3.35Å; N896-I898 PolarHBondContact O-N 2.58Å; I898-Y900 VanDerWaalsContact C-N 3.32Å; I898-Y900 PolarHBondContact O-N 3.49Å; I898-Q901 WeakPolarHBondContact O-CA 3.37Å; I898-Q901 WeakPolarHBondContact O-CB 3.44Å; I898-Q901 PolarHBondContact O-N 2.71Å; I898-M902 HydrophobicContact CG2-CE 4.03Å; I898-M902 WeakPolarHBondContact O-CG 3.38Å; I898-M902 PolarHBondContact O-N 2.95Å
899S88.6Confident89.8Confident2 Ų239.3 Ų39.31%0.01419%0.188CC..Hα-helixtrans-67.8-33.5-177.6-42.10000112.3M835 N896 Q901 M902 L903M835-S899 VanDerWaalsContact CE-OG 3.22Å; M835-S899 WeakPolarHBondContact CE-OG 3.41Å; M835-S899 WeakPolarHBondContact SD-CB 3.47Å; M835-S899 PolarHBondContact SD-OG 2.93Å; M835-S899 VanDerWaalsContact SD-OG 3.34Å; N896-S899 PolarHBondContact O-N 3.49Å; S899-Q901 VanDerWaalsContact C-N 3.33Å; S899-M902 WeakPolarHBondContact O-CB 3.48Å; S899-M902 PolarHBondContact O-N 2.93Å; S899-L903 PolarHBondContact O-N 2.76Å
900Y89.6Confident89.5Confident0 Ų043.9 Ų43.90%021%0.213CC..Hα-helixtrans-60.8-43168.9179.5-89000111.4L891 N896 I898 M902 L903 M904 L939 R946 L947 Y949L891-Y900 HydrophobicContact CD2-CD2 4.35Å; L891-Y900 HydrophobicContact CD2-CE2 3.95Å; N896-Y900 WeakPolarHBondContact O-CB 3.42Å; N896-Y900 PolarHBondContact O-N 3.28Å; I898-Y900 VanDerWaalsContact C-N 3.32Å; I898-Y900 PolarHBondContact O-N 3.49Å; Y900-M902 PolarHBondContact O-N 3.39Å; Y900-L903 PolarHBondContact O-N 3.03Å; Y900-M904 HydrophobicContact CD1-CG 3.79Å; Y900-M904 HydrophobicContact CE1-CB 4.45Å; Y900-M904 HydrophobicContact CE1-CG 3.16Å; Y900-M904 HydrophobicContact CE1-SD 3.98Å; Y900-M904 HydrophobicContact CE2-CG 4.45Å; Y900-M904 WeakPolarHBondContact O-CG 3.25Å; Y900-M904 PolarHBondContact O-N 2.68Å; Y900-M904 PolarHBondContact OH-SD 3.37Å; Y900-M904 VanDerWaalsContact OH-SD 3.35Å; Y900-L939 HydrophobicContact CE2-CD1 4.35Å; Y900-L939 PolarHBondContact OH-O 2.92Å; Y900-R946 HydrophobicContact CD2-CG 4.27Å; Y900-R946 HydrophobicContact CG-CG 4.32Å; Y900-L947 HydrophobicContact CD1-CD2 3.98Å; Y900-L947 HydrophobicContact CE1-CD2 3.16Å; Y900-L947 HydrophobicContact CE1-CG 4.45Å; Y900-L947 HydrophobicContact CE2-CD2 4.25Å; Y900-L947 WeakPolarHBondContact OH-CD2 3.13Å; Y900-Y949 WeakPolarHBondContact CD1-OH 3.14Å; Y900-Y949 VanDerWaalsContact CE1-OH 3.24Å; Y900-Y949 WeakPolarHBondContact CE1-OH 3.28Å
901Q88.1Confident89.2Confident46 Ų4644.1 Ų44.122%0.21522%0.216CC..Hα-helixtrans-63.4-38.9177-17262.326.200112.5K897 I898 S899 L903 M904 N905 Y949K897-Q901 WeakPolarHBondContact O-CB 3.46Å; K897-Q901 PolarHBondContact O-N 3.31Å; I898-Q901 WeakPolarHBondContact O-CA 3.37Å; I898-Q901 WeakPolarHBondContact O-CB 3.44Å; I898-Q901 PolarHBondContact O-N 2.71Å; S899-Q901 VanDerWaalsContact C-N 3.33Å; Q901-L903 VanDerWaalsContact C-N 3.33Å; Q901-L903 PolarHBondContact O-N 2.72Å; Q901-M904 PolarHBondContact O-N 2.93Å; Q901-N905 PolarHBondContact NE2-OD1 2.69Å; Q901-N905 WeakPolarHBondContact O-CB 3.27Å; Q901-N905 PolarHBondContact O-N 3.15Å; Q901-N905 PolarHBondContact O-ND2 3.15Å; Q901-N905 PolarHBondContact O-OD1 2.9Å; Q901-Y949 PolarHBondContact OE1-OH 3.35Å; Q901-Y949 VanDerWaalsContact OE1-OH 3.12Å
902M90.7Very high89.1Confident10 Ų1044.1 Ų44.15%0.04922%0.216CC..Hα-helixtrans-56.4-47.3173.6-64.7169.9162.900111.3L838 E840 D842 F845 I898 S899 Y900 N905 W906L838-M902 HydrophobicContact CD2-SD 3.97Å; L838-M902 HydrophobicContact CG-SD 4.31Å; E840-M902 VanDerWaalsContact C-CE 3.4Å; D842-M902 WeakPolarHBondContact OD1-CE 3.31Å; D842-M902 WeakPolarHBondContact OD1-CG 3.33Å; F845-M902 HydrophobicContact CB-SD 4.1Å; F845-M902 HydrophobicContact CD1-CB 3.75Å; F845-M902 HydrophobicContact CD2-CB 4.3Å; F845-M902 HydrophobicContact CE1-CB 3.91Å; F845-M902 WeakPolarHBondContact CE1-O 3.29Å; F845-M902 HydrophobicContact CE2-CB 4.44Å; F845-M902 HydrophobicContact CG-CB 3.95Å; F845-M902 HydrophobicContact CG-SD 4.27Å; F845-M902 HydrophobicContact CZ-CB 4.26Å; I898-M902 HydrophobicContact CG2-CE 4.03Å; I898-M902 WeakPolarHBondContact O-CG 3.38Å; I898-M902 PolarHBondContact O-N 2.95Å; S899-M902 WeakPolarHBondContact O-CB 3.48Å; S899-M902 PolarHBondContact O-N 2.93Å; Y900-M902 PolarHBondContact O-N 3.39Å; M902-N905 PolarHBondContact O-N 3.42Å; M902-W906 PolarHBondContact O-N 2.64Å; M902-W906 VanDerWaalsContact O-N 3.17Å
903L92.1Very high89Confident1 Ų143.5 Ų43.51%0.00522%0.217CC..Hα-helixtrans-67.9-37.3177.3-17765.7000112.4F845 L887 I890 L891 L894 S899 Y900 Q901 W906 L907F845-L903 HydrophobicContact CE2-CB 4.34Å; F845-L903 VanDerWaalsContact CZ-CA 3.47Å; F845-L903 HydrophobicContact CZ-CB 3.67Å; F845-L903 HydrophobicContact CZ-CD1 3.8Å; F845-L903 HydrophobicContact CZ-CG 4.33Å; L887-L903 HydrophobicContact CD2-CD1 4.28Å; I890-L903 HydrophobicContact CG2-CD2 3.98Å; L891-L903 HydrophobicContact CD2-CD2 3.38Å; L891-L903 HydrophobicContact CD2-CG 4.5Å; L891-L903 HydrophobicContact CG-CD2 3.63Å; L894-L903 HydrophobicContact CD1-CB 3.64Å; L894-L903 HydrophobicContact CD1-CD2 3.56Å; L894-L903 HydrophobicContact CD1-CG 4.21Å; S899-L903 PolarHBondContact O-N 2.76Å; Y900-L903 PolarHBondContact O-N 3.03Å; Q901-L903 VanDerWaalsContact C-N 3.33Å; Q901-L903 PolarHBondContact O-N 2.72Å; L903-W906 HydrophobicContact CD1-CE3 3.84Å; L903-W906 HydrophobicContact CD1-CZ3 4.41Å; L903-W906 PolarHBondContact O-N 3.45Å; L903-L907 WeakPolarHBondContact O-CB 3.38Å; L903-L907 PolarHBondContact O-N 3.28Å
904M89.5Confident89Confident7 Ų743.2 Ų43.23%0.03422%0.215CC..Hα-helixtrans-62.5-43175.8-82.4-55.6-55.700112.4Y900 Q901 W906 L907 Y908 L939 T955 L959Y900-M904 HydrophobicContact CD1-CG 3.79Å; Y900-M904 HydrophobicContact CE1-CB 4.45Å; Y900-M904 HydrophobicContact CE1-CG 3.16Å; Y900-M904 HydrophobicContact CE1-SD 3.98Å; Y900-M904 HydrophobicContact CE2-CG 4.45Å; Y900-M904 WeakPolarHBondContact O-CG 3.25Å; Y900-M904 PolarHBondContact O-N 2.68Å; Y900-M904 PolarHBondContact OH-SD 3.37Å; Y900-M904 VanDerWaalsContact OH-SD 3.35Å; Q901-M904 PolarHBondContact O-N 2.93Å; M904-W906 PolarHBondContact O-N 3.03Å; M904-L907 PolarHBondContact O-N 2.89Å; M904-Y908 WeakPolarHBondContact O-CB 3.38Å; M904-Y908 PolarHBondContact O-N 2.71Å; M904-L939 HydrophobicContact SD-CD1 3.5Å; M904-L939 WeakPolarHBondContact SD-CD1 3.08Å; M904-L939 HydrophobicContact SD-CD2 4.5Å; M904-L939 HydrophobicContact SD-CG 4.18Å; M904-T955 HydrophobicContact CE-CG2 4.11Å; M904-L959 HydrophobicContact CE-CD1 4.19Å; M904-L959 HydrophobicContact CE-CD2 3.69Å; M904-L959 HydrophobicContact CE-CG 4.12Å; M904-L959 HydrophobicContact SD-CD2 4.45Å
905N89.4Confident89.2Confident105 Ų10543.3 Ų43.356%0.56122%0.215SC*.Hα-helixtrans-61.9-34.6175.8-68.2-13.7000111.4Q901 M902Q901-N905 PolarHBondContact NE2-OD1 2.69Å; Q901-N905 WeakPolarHBondContact O-CB 3.27Å; Q901-N905 PolarHBondContact O-N 3.15Å; Q901-N905 PolarHBondContact O-ND2 3.15Å; Q901-N905 PolarHBondContact O-OD1 2.9Å; M902-N905 PolarHBondContact O-N 3.42Å
906W93.2Very high89.5Confident49 Ų4943.7 Ų43.719%0.18622%0.215CC..Hα-helixtrans-74.1-39.2175.8177.588.5000113F845 V849 L852 T853 L887 M902 L903 M904F845-W906 HydrophobicContact CE1-CB 4.2Å; V849-W906 HydrophobicContact CG1-CD2 3.61Å; V849-W906 HydrophobicContact CG1-CE3 4.16Å; V849-W906 HydrophobicContact CG1-CG 4.07Å; V849-W906 HydrophobicContact CG1-CH2 4.05Å; V849-W906 HydrophobicContact CG1-CZ2 3.46Å; V849-W906 VanDerWaalsContact CG1-CZ2 3.46Å; V849-W906 HydrophobicContact CG1-CZ3 4.37Å; L852-W906 HydrophobicContact CB-CH2 4.19Å; L852-W906 HydrophobicContact CB-CZ2 4.08Å; T853-W906 PolarHBondContact OG1-NE1 2.87Å; L887-W906 HydrophobicContact CD1-CH2 4.49Å; L887-W906 HydrophobicContact CD1-CZ3 4.16Å; L887-W906 HydrophobicContact CD2-CE3 4.34Å; L887-W906 HydrophobicContact CD2-CH2 3.91Å; L887-W906 HydrophobicContact CD2-CZ3 3.42Å; L887-W906 VanDerWaalsContact CD2-CZ3 3.42Å; L887-W906 HydrophobicContact CG-CZ3 4.42Å; M902-W906 PolarHBondContact O-N 2.64Å; M902-W906 VanDerWaalsContact O-N 3.17Å; L903-W906 HydrophobicContact CD1-CE3 3.84Å; L903-W906 HydrophobicContact CD1-CZ3 4.41Å; L903-W906 PolarHBondContact O-N 3.45Å; M904-W906 PolarHBondContact O-N 3.03Å
907L92.8Very high89.8Confident4 Ų441.5 Ų41.52%0.02120%0.201CC..Hα-helixtrans-82.6-35.8-172.8-173.966.3000113.3L887 L903 M904 G911 L912 L939L887-L907 HydrophobicContact CD1-CD1 3.94Å; L903-L907 WeakPolarHBondContact O-CB 3.38Å; L903-L907 PolarHBondContact O-N 3.28Å; M904-L907 PolarHBondContact O-N 2.89Å; L907-G911 VanDerWaalsContact O-CA 3.25Å; L907-G911 WeakPolarHBondContact O-CA 3.47Å; L907-G911 PolarHBondContact O-N 3.32Å; L907-L912 HydrophobicContact CD1-CD2 4.47Å; L907-L912 HydrophobicContact CD2-CD2 3.64Å; L907-L912 HydrophobicContact CD2-CG 4.39Å; L907-L912 HydrophobicContact CG-CD2 3.82Å; L907-L912 HydrophobicContact CG-CG 4.15Å; L907-L912 PolarHBondContact O-N 3.4Å; L907-L939 HydrophobicContact CD2-CD1 3.77Å; L907-L939 HydrophobicContact CD2-CD2 3.9Å
908Y88.3Confident90Very high92 Ų9237.1 Ų37.136%0.36118%0.182SC..THydrogen-bonded Turntrans-93.6137.4-174.8-174.9-84.9000112M904 L912 L958M904-Y908 WeakPolarHBondContact O-CB 3.38Å; M904-Y908 PolarHBondContact O-N 2.71Å; Y908-L912 HydrophobicContact CD2-CD1 3.75Å; Y908-L912 HydrophobicContact CE2-CD1 4.46Å; Y908-L958 HydrophobicContact CE1-CD1 4.16Å; Y908-L958 HydrophobicContact CE2-CB 4.15Å
909P86.3Confident90.2Very high53 Ų5333.5 Ų33.534%0.34416%0.164SC..THydrogen-bonded Turncis-91.6-23.9-3.133.1-32.7000113.9G911 L912 Q913P909-G911 PolarHBondContact O-N 3.45Å; P909-L912 PolarHBondContact O-N 3.41Å; P909-Q913 WeakPolarHBondContact O-CG 3.48Å; P909-Q913 PolarHBondContact O-N 3.1Å
910N87.3Confident90.3Very high97 Ų9736.4 Ų36.452%0.51918%0.177SC..Hα-helixtrans-64.7-41.9-165.6-65.1-16000113.4I860 L912 Q913 L914I860-N910 HydrophobicContact CD1-CB 4.13Å; N910-L912 VanDerWaalsContact C-N 3.32Å; N910-L912 PolarHBondContact O-N 2.92Å; N910-Q913 PolarHBondContact O-N 3.11Å; N910-L914 PolarHBondContact O-N 3.34Å
911G88.5Confident90.1Very high6 Ų640.2 Ų40.26%0.06220%0.197CC..Hα-helixtrans-67.2-32.717900000112.9L907 P909 L914 F915L907-G911 VanDerWaalsContact O-CA 3.25Å; L907-G911 WeakPolarHBondContact O-CA 3.47Å; L907-G911 PolarHBondContact O-N 3.32Å; P909-G911 PolarHBondContact O-N 3.45Å; G911-L914 WeakPolarHBondContact O-CB 3.38Å; G911-F915 PolarHBondContact O-N 2.77Å
912L91.9Very high90.1Very high1 Ų138.8 Ų38.81%0.00519%0.189CC..Hα-helixtrans-72.3-40.3171.5-67-167.4000112.2L907 Y908 P909 N910 L914 F915 K916 L939 L959 Y962L907-L912 HydrophobicContact CD1-CD2 4.47Å; L907-L912 HydrophobicContact CD2-CD2 3.64Å; L907-L912 HydrophobicContact CD2-CG 4.39Å; L907-L912 HydrophobicContact CG-CD2 3.82Å; L907-L912 HydrophobicContact CG-CG 4.15Å; L907-L912 PolarHBondContact O-N 3.4Å; Y908-L912 HydrophobicContact CD2-CD1 3.75Å; Y908-L912 HydrophobicContact CE2-CD1 4.46Å; P909-L912 PolarHBondContact O-N 3.41Å; N910-L912 VanDerWaalsContact C-N 3.32Å; N910-L912 PolarHBondContact O-N 2.92Å; L912-L914 PolarHBondContact O-N 2.97Å; L912-F915 HydrophobicContact CD2-CD2 4.36Å; L912-F915 PolarHBondContact O-N 3.2Å; L912-F915 VanDerWaalsContact O-N 3.13Å; L912-K916 PolarHBondContact O-N 2.84Å; L912-L939 HydrophobicContact CD1-CD2 4.43Å; L912-L939 HydrophobicContact CD2-CD2 3.71Å; L912-L959 HydrophobicContact CD1-CD2 4.2Å; L912-Y962 HydrophobicContact CB-CD2 4.07Å; L912-Y962 HydrophobicContact CB-CE1 4.13Å; L912-Y962 HydrophobicContact CB-CE2 3.59Å; L912-Y962 HydrophobicContact CD1-CD1 3.87Å; L912-Y962 HydrophobicContact CD1-CD2 4.4Å; L912-Y962 HydrophobicContact CD1-CE1 4.01Å; L912-Y962 HydrophobicContact CD1-CG 4.07Å; L912-Y962 HydrophobicContact CD2-CE1 4.02Å; L912-Y962 HydrophobicContact CG-CE1 4.29Å; L912-Y962 WeakPolarHBondContact O-CE2 3.44Å; L912-Y962 PolarHBondContact O-OH 3.46Å
913Q90.8Very high89.8Confident109 Ų10939.2 Ų39.251%0.50919%0.193SC..Hα-helixtrans-59.1-37.3174.5-72.4-178.3-0.200112P909 N910 F915 K916 H917P909-Q913 WeakPolarHBondContact O-CG 3.48Å; P909-Q913 PolarHBondContact O-N 3.1Å; N910-Q913 PolarHBondContact O-N 3.11Å; Q913-F915 PolarHBondContact O-N 3.19Å; Q913-K916 PolarHBondContact O-N 3.45Å; Q913-H917 PolarHBondContact O-N 3.48Å
914L90.7Very high89.3Confident3 Ų342.2 Ų42.22%0.01621%0.209CC..Hα-helixtrans-57.9-46.9173.6-176.767.9000112.2T856 L859 I860 L863 M880 L883 N910 G911 L912 H917 A918T856-L914 HydrophobicContact CG2-CD2 4.15Å; L859-L914 HydrophobicContact CB-CD1 4.07Å; L859-L914 HydrophobicContact CB-CD2 3.98Å; L859-L914 HydrophobicContact CD1-CD2 4.39Å; I860-L914 HydrophobicContact CG1-CD1 4.29Å; L863-L914 HydrophobicContact CD1-CD1 3.73Å; M880-L914 HydrophobicContact CE-CD2 4.26Å; M880-L914 HydrophobicContact CE-CG 4.1Å; M880-L914 HydrophobicContact SD-CD1 4.17Å; M880-L914 HydrophobicContact SD-CD2 3.94Å; M880-L914 HydrophobicContact SD-CG 3.92Å; L883-L914 HydrophobicContact CD2-CD2 3.79Å; N910-L914 PolarHBondContact O-N 3.34Å; G911-L914 WeakPolarHBondContact O-CB 3.38Å; L912-L914 PolarHBondContact O-N 2.97Å; L914-H917 PolarHBondContact O-N 3.22Å; L914-A918 WeakPolarHBondContact O-CB 3.48Å; L914-A918 PolarHBondContact O-N 3.41Å
915F93.7Very high89.2Confident3 Ų343.4 Ų43.41%0.01322%0.215CC..Hα-helixtrans-64.9-40.3177.2-74.2-28.8000113M880 A884 L887 G911 L912 Q913 A918 L919 I932 T935 I936M880-F915 HydrophobicContact CE-CD1 3.67Å; M880-F915 HydrophobicContact CE-CE1 3.86Å; A884-F915 HydrophobicContact CB-CE1 4.07Å; A884-F915 HydrophobicContact CB-CZ 4.27Å; L887-F915 HydrophobicContact CD1-CE2 4.26Å; L887-F915 HydrophobicContact CD1-CZ 3.81Å; G911-F915 PolarHBondContact O-N 2.77Å; L912-F915 HydrophobicContact CD2-CD2 4.36Å; L912-F915 PolarHBondContact O-N 3.2Å; L912-F915 VanDerWaalsContact O-N 3.13Å; Q913-F915 PolarHBondContact O-N 3.19Å; F915-A918 PolarHBondContact O-N 3.01Å; F915-L919 WeakPolarHBondContact O-CG 3.46Å; F915-L919 PolarHBondContact O-N 2.88Å; F915-L919 VanDerWaalsContact O-N 3.15Å; F915-I932 HydrophobicContact CB-CG2 3.81Å; F915-I932 HydrophobicContact CD1-CD1 4.14Å; F915-I932 HydrophobicContact CD1-CG1 3.94Å; F915-I932 HydrophobicContact CD1-CG2 4.02Å; F915-I932 HydrophobicContact CE1-CG1 4.25Å; F915-I932 HydrophobicContact CG-CG2 3.89Å; F915-T935 HydrophobicContact CE2-CG2 4.22Å; F915-T935 HydrophobicContact CZ-CG2 4.31Å; F915-I936 HydrophobicContact CB-CD1 4.49Å; F915-I936 HydrophobicContact CD2-CG1 4.37Å
916K91.9Very high89Confident65 Ų6540.7 Ų40.728%0.28320%0.198SC..Hα-helixtrans-58.5-49.8174.6-176.6-172.4171.5-159.60110.9L912 Q913 A918 L919 E920 Y962 L966 N969L912-K916 PolarHBondContact O-N 2.84Å; Q913-K916 PolarHBondContact O-N 3.45Å; K916-A918 PolarHBondContact O-N 3.41Å; K916-L919 PolarHBondContact O-N 3.01Å; K916-E920 WeakPolarHBondContact CE-OE1 3.39Å; K916-E920 IonicContact NZ-OE1 2.96Å; K916-E920 WeakPolarHBondContact O-CG 3.37Å; K916-E920 PolarHBondContact O-N 3.13Å; K916-E920 VanDerWaalsContact O-N 3.16Å; K916-Y962 HydrophobicContact CB-CE2 4.12Å; K916-L966 HydrophobicContact CB-CD1 4.35Å; K916-N969 WeakPolarHBondContact CE-ND2 3.41Å
917H89.3Confident88.6Confident48 Ų4839.1 Ų39.122%0.22219%0.193CC..Hα-helixtrans-65.5-38.3-178.8-169.859.2000112.5L863 Q913 L914 L919 E920 L921L863-H917 PolarHBondContact O-NE2 2.91Å; Q913-H917 PolarHBondContact O-N 3.48Å; L914-H917 PolarHBondContact O-N 3.22Å; H917-L919 VanDerWaalsContact C-N 3.32Å; H917-L919 PolarHBondContact O-N 3.07Å; H917-E920 IonicContact ND1-OE2 3.21Å; H917-E920 PolarHBondContact O-N 3.37Å; H917-E920 VanDerWaalsContact O-N 3.17Å; H917-L921 WeakPolarHBondContact NE2-CD1 3.32Å; H917-L921 WeakPolarHBondContact O-CG 3.33Å; H917-L921 PolarHBondContact O-N 3.1Å
918A90.5Very high88.5Confident0 Ų039 Ų390%019%0.192CC..Hα-helixtrans-61.2-38.4175.600000112.9M880 L914 F915 K916 W922 I932M880-A918 HydrophobicContact CE-CB 3.94Å; L914-A918 WeakPolarHBondContact O-CB 3.48Å; L914-A918 PolarHBondContact O-N 3.41Å; F915-A918 PolarHBondContact O-N 3.01Å; K916-A918 PolarHBondContact O-N 3.41Å; A918-W922 HydrophobicContact CB-CE3 4.17Å; A918-W922 HydrophobicContact CB-CZ3 3.99Å; A918-W922 PolarHBondContact O-N 3.38Å; A918-W922 VanDerWaalsContact O-N 3.11Å; A918-I932 HydrophobicContact CB-CD1 3.82Å
919L91.4Very high88.6Confident3 Ų334.6 Ų34.62%0.01618%0.175CC..Hα-helixtrans-70.3-32.4175.5-67.9177.6000112.5F915 K916 H917 T929 I932 L933 L966 F970F915-L919 WeakPolarHBondContact O-CG 3.46Å; F915-L919 PolarHBondContact O-N 2.88Å; F915-L919 VanDerWaalsContact O-N 3.15Å; K916-L919 PolarHBondContact O-N 3.01Å; H917-L919 VanDerWaalsContact C-N 3.32Å; H917-L919 PolarHBondContact O-N 3.07Å; L919-T929 HydrophobicContact CD2-CG2 3.69Å; L919-I932 HydrophobicContact CD1-CG2 3.97Å; L919-I932 HydrophobicContact CD2-CB 4.23Å; L919-I932 HydrophobicContact CD2-CD1 4.23Å; L919-I932 HydrophobicContact CD2-CG2 4.16Å; L919-I932 HydrophobicContact CG-CD1 4.44Å; L919-I932 HydrophobicContact CG-CG2 4.04Å; L919-L933 HydrophobicContact CD1-CD2 4.23Å; L919-L966 HydrophobicContact CD1-CD1 3.81Å; L919-L966 HydrophobicContact CD1-CD2 3.58Å; L919-L966 HydrophobicContact CD1-CG 3.73Å; L919-F970 HydrophobicContact CB-CD2 4.17Å; L919-F970 HydrophobicContact CD2-CD2 4.31Å; L919-F970 HydrophobicContact CD2-CE2 4.4Å
920E89.3Confident88.9Confident62 Ų6232.6 Ų32.629%0.2916%0.162SC..Hα-helixtrans-70.1-35.2175.5-70.9171.6169.800112.3K916 H917 N969K916-E920 WeakPolarHBondContact CE-OE1 3.39Å; K916-E920 IonicContact NZ-OE1 2.96Å; K916-E920 WeakPolarHBondContact O-CG 3.37Å; K916-E920 PolarHBondContact O-N 3.13Å; K916-E920 VanDerWaalsContact O-N 3.16Å; H917-E920 IonicContact ND1-OE2 3.21Å; H917-E920 PolarHBondContact O-N 3.37Å; H917-E920 VanDerWaalsContact O-N 3.17Å; E920-N969 PolarHBondContact OE1-ND2 3.35Å
921L87.2Confident89.1Confident80 Ų8028.1 Ų28.142%0.41914%0.138SC..Hα-helixtrans-77.6-35.7178.7-71.1177.1000113.4L863 H917 P923L863-L921 HydrophobicContact CD2-CD1 3.77Å; H917-L921 WeakPolarHBondContact NE2-CD1 3.32Å; H917-L921 WeakPolarHBondContact O-CG 3.33Å; H917-L921 PolarHBondContact O-N 3.1Å; L921-P923 VanDerWaalsContact C-CD 3.44Å
922W87.3Confident89.4Confident16 Ų1627.8 Ų27.86%0.06114%0.135CC..  trans-128.857.9-173.9-54.6-58.5000114L863 Q873 M876 K877 M880 A918 L924 D925 I928 T929L863-W922 HydrophobicContact CD1-CH2 4.45Å; L863-W922 HydrophobicContact CD2-CH2 3.73Å; L863-W922 HydrophobicContact CD2-CZ2 4.35Å; Q873-W922 HydrophobicContact CG-CZ2 4.11Å; Q873-W922 VanDerWaalsContact NE2-NE1 3.17Å; M876-W922 HydrophobicContact CB-CH2 4.43Å; K877-W922 HydrophobicContact CG-CD2 4.25Å; K877-W922 HydrophobicContact CG-CH2 4.25Å; K877-W922 HydrophobicContact CG-CZ2 3.87Å; M880-W922 HydrophobicContact CG-CZ3 4.2Å; A918-W922 HydrophobicContact CB-CE3 4.17Å; A918-W922 HydrophobicContact CB-CZ3 3.99Å; A918-W922 PolarHBondContact O-N 3.38Å; A918-W922 VanDerWaalsContact O-N 3.11Å; W922-L924 VanDerWaalsContact C-N 3.3Å; W922-L924 PolarHBondContact O-N 3.04Å; W922-D925 HydrophobicContact CB-CB 4.07Å; W922-D925 PolarHBondContact O-N 2.66Å; W922-I928 HydrophobicContact CB-CD1 4.04Å; W922-I928 HydrophobicContact CD2-CD1 3.86Å; W922-I928 HydrophobicContact CE3-CD1 3.84Å; W922-I928 HydrophobicContact CE3-CG2 4.3Å; W922-I928 HydrophobicContact CG-CD1 3.97Å; W922-T929 VanDerWaalsContact O-CG2 3.25Å; W922-T929 WeakPolarHBondContact O-CG2 3.35Å
923P83.7Confident89.6Confident20 Ų2027.8 Ų27.813%0.1314%0.135CC..THydrogen-bonded Turntrans-64.8-30.5-174.124.2-34000114L921 F970 Q973L921-P923 VanDerWaalsContact C-CD 3.44Å; P923-F970 HydrophobicContact CB-CE2 4.4Å; P923-Q973 HydrophobicContact CB-CB 4.06Å; P923-Q973 HydrophobicContact CG-CB 4.48Å
924L83.3Confident89.8Confident64 Ų6424.3 Ų24.334%0.33512%0.118SC..THydrogen-bonded Turntrans-91.1-4.7-177.1-62.8176000113.9W922 Y926 N977W922-L924 VanDerWaalsContact C-N 3.3Å; W922-L924 PolarHBondContact O-N 3.04Å; L924-Y926 PolarHBondContact O-N 2.66Å; L924-N977 HydrophobicContact CD1-CB 4.37Å; L924-N977 HydrophobicContact CD2-CB 3.85Å
925D85.9Confident90Very high31 Ų3124.2 Ų24.217%0.16612%0.118CC..  trans-92.889.7-177.6-165.2-21.9000111K877 W922 T927 I928 T929K877-D925 IonicContact NZ-OD2 3.1Å; K877-D925 PolarHBondContact NZ-OD2 2.85Å; W922-D925 HydrophobicContact CB-CB 4.07Å; W922-D925 PolarHBondContact O-N 2.66Å; D925-T927 PolarHBondContact O-N 2.7Å; D925-T927 WeakPolarHBondContact OD1-CB 3.41Å; D925-T927 PolarHBondContact OD1-N 3.1Å; D925-T927 PolarHBondContact OD1-OG1 3.07Å; D925-I928 HydrophobicContact CB-CD1 4.12Å; D925-I928 HydrophobicContact CB-CG1 4.46Å; D925-I928 PolarHBondContact O-N 3.5Å; D925-I928 WeakPolarHBondContact OD2-CD1 3.33Å; D925-T929 WeakPolarHBondContact O-CG2 3.47Å; D925-T929 PolarHBondContact O-N 2.89Å; D925-T929 PolarHBondContact O-OG1 3.36Å
926Y86.6Confident90.1Very high49 Ų4924.1 Ų24.119%0.19212%0.118CC..Hα-helixtrans-59.1-22.6-178.577-96.5000113.7L924 I928 T929 V930 E988 K992L924-Y926 PolarHBondContact O-N 2.66Å; Y926-I928 PolarHBondContact O-N 3.22Å; Y926-T929 WeakPolarHBondContact CA-OG1 3.23Å; Y926-V930 WeakPolarHBondContact O-CB 3.39Å; Y926-V930 WeakPolarHBondContact O-CG2 3.39Å; Y926-V930 PolarHBondContact O-N 3.36Å; Y926-E988 WeakPolarHBondContact CB-O 3.32Å; Y926-E988 HydrophobicContact CD1-CB 3.77Å; Y926-E988 HydrophobicContact CE1-CB 3.55Å; Y926-E988 HydrophobicContact CE1-CG 4.38Å; Y926-E988 WeakPolarHBondContact CE1-OE2 3.46Å; Y926-E988 HydrophobicContact CG-CB 4.36Å; Y926-E988 VanDerWaalsContact CZ-OE2 3.25Å; Y926-E988 VanDerWaalsContact OH-CD 3.25Å; Y926-E988 PolarHBondContact OH-OE1 3.43Å; Y926-E988 PolarHBondContact OH-OE2 2.82Å; Y926-K992 HydrophobicContact CD2-CD 4.46Å
927T84.7Confident90.2Very high15 Ų1521.5 Ų21.59%0.09211%0.107CC..Hα-helixtrans-67.8-25.6179.671.40000111.7I881 D925 P931I881-T927 WeakPolarHBondContact CD1-O 3.44Å; I881-T927 WeakPolarHBondContact CG1-O 3.44Å; D925-T927 PolarHBondContact O-N 2.7Å; D925-T927 WeakPolarHBondContact OD1-CB 3.41Å; D925-T927 PolarHBondContact OD1-N 3.1Å; D925-T927 PolarHBondContact OD1-OG1 3.07Å; T927-P931 WeakPolarHBondContact O-CD 3.49Å; T927-P931 WeakPolarHBondContact O-CG 3.22Å
928I89.4Confident90.4Very high1 Ų120 Ų201%0.00510%0.1CC..Hα-helixtrans-100.3-47.4178-54.5169000110.8K877 I881 W922 D925 Y926 V930 P931 I932K877-I928 HydrophobicContact CB-CD1 3.75Å; K877-I928 HydrophobicContact CB-CG1 4.4Å; K877-I928 HydrophobicContact CD-CD1 3.72Å; K877-I928 HydrophobicContact CG-CD1 3.45Å; K877-I928 VanDerWaalsContact CG-CD1 3.45Å; I881-I928 HydrophobicContact CD1-CG1 3.88Å; I881-I928 HydrophobicContact CG1-CB 4.36Å; I881-I928 HydrophobicContact CG1-CG1 3.87Å; W922-I928 HydrophobicContact CB-CD1 4.04Å; W922-I928 HydrophobicContact CD2-CD1 3.86Å; W922-I928 HydrophobicContact CE3-CD1 3.84Å; W922-I928 HydrophobicContact CE3-CG2 4.3Å; W922-I928 HydrophobicContact CG-CD1 3.97Å; D925-I928 HydrophobicContact CB-CD1 4.12Å; D925-I928 HydrophobicContact CB-CG1 4.46Å; D925-I928 PolarHBondContact O-N 3.5Å; D925-I928 WeakPolarHBondContact OD2-CD1 3.33Å; Y926-I928 PolarHBondContact O-N 3.22Å; I928-V930 PolarHBondContact O-N 3.2Å; I928-P931 VanDerWaalsContact O-CD 3.3Å; I928-P931 WeakPolarHBondContact O-CD 3.5Å; I928-I932 HydrophobicContact CG2-CD1 3.7Å; I928-I932 HydrophobicContact CG2-CG1 4.49Å; I928-I932 WeakPolarHBondContact O-CG1 3.46Å; I928-I932 PolarHBondContact O-N 3.18Å
929T91.3Very high90.5Very high0 Ų020.2 Ų20.20%010%0.101CC..Hα-helixtrans-64.7-43.1-172.861.90000111.7L919 W922 D925 Y926 I932 L933 F970L919-T929 HydrophobicContact CD2-CG2 3.69Å; W922-T929 VanDerWaalsContact O-CG2 3.25Å; W922-T929 WeakPolarHBondContact O-CG2 3.35Å; D925-T929 WeakPolarHBondContact O-CG2 3.47Å; D925-T929 PolarHBondContact O-N 2.89Å; D925-T929 PolarHBondContact O-OG1 3.36Å; Y926-T929 WeakPolarHBondContact CA-OG1 3.23Å; T929-I932 PolarHBondContact O-N 3.4Å; T929-L933 WeakPolarHBondContact O-CB 3.39Å; T929-L933 VanDerWaalsContact O-CG 3.28Å; T929-L933 WeakPolarHBondContact O-CG 3.29Å; T929-L933 PolarHBondContact O-N 2.9Å; T929-F970 HydrophobicContact CG2-CE2 3.68Å; T929-F970 HydrophobicContact CG2-CZ 4.13Å
930V92.3Very high90.4Very high12 Ų1220 Ų207%0.07310%0.1CC..Hα-helixtrans-64.6-47.9-178.5174.10000112.5Y926 I928 I932 K934 K992 P993Y926-V930 WeakPolarHBondContact O-CB 3.39Å; Y926-V930 WeakPolarHBondContact O-CG2 3.39Å; Y926-V930 PolarHBondContact O-N 3.36Å; I928-V930 PolarHBondContact O-N 3.2Å; V930-I932 VanDerWaalsContact C-N 3.34Å; V930-I932 PolarHBondContact O-N 3.38Å; V930-K934 HydrophobicContact CG1-CD 3.97Å; V930-K934 HydrophobicContact CG1-CG 4.31Å; V930-K934 WeakPolarHBondContact O-CB 3.38Å; V930-K934 WeakPolarHBondContact O-CG 3.24Å; V930-K934 PolarHBondContact O-N 3.38Å; V930-K992 HydrophobicContact CG2-CB 4.31Å; V930-P993 HydrophobicContact CG2-CG 4.49Å
931P91.8Very high90.4Very high2 Ų219.3 Ų19.31%0.01310%0.098CC..Hα-helixtrans-56-44.5172.2-27.433.6000113.7I881 A884 T927 I928 K934 T935I881-P931 HydrophobicContact CG2-CG 4.33Å; A884-P931 HydrophobicContact CB-CB 4.04Å; T927-P931 WeakPolarHBondContact O-CD 3.49Å; T927-P931 WeakPolarHBondContact O-CG 3.22Å; I928-P931 VanDerWaalsContact O-CD 3.3Å; I928-P931 WeakPolarHBondContact O-CD 3.5Å; P931-K934 PolarHBondContact O-N 3.43Å; P931-T935 WeakPolarHBondContact O-CB 3.35Å; P931-T935 PolarHBondContact O-N 2.94Å; P931-T935 PolarHBondContact O-OG1 3.06Å
932I95Very high90.3Very high0 Ų016.9 Ų16.90%09%0.086CC..Hα-helixtrans-63-52.7179.6-67.8174.8000110.2M880 A884 F915 A918 L919 I928 T929 V930 K934 T935 I936M880-I932 HydrophobicContact CE-CD1 4.26Å; A884-I932 HydrophobicContact CB-CG1 4.12Å; F915-I932 HydrophobicContact CB-CG2 3.81Å; F915-I932 HydrophobicContact CD1-CD1 4.14Å; F915-I932 HydrophobicContact CD1-CG1 3.94Å; F915-I932 HydrophobicContact CD1-CG2 4.02Å; F915-I932 HydrophobicContact CE1-CG1 4.25Å; F915-I932 HydrophobicContact CG-CG2 3.89Å; A918-I932 HydrophobicContact CB-CD1 3.82Å; L919-I932 HydrophobicContact CD1-CG2 3.97Å; L919-I932 HydrophobicContact CD2-CB 4.23Å; L919-I932 HydrophobicContact CD2-CD1 4.23Å; L919-I932 HydrophobicContact CD2-CG2 4.16Å; L919-I932 HydrophobicContact CG-CD1 4.44Å; L919-I932 HydrophobicContact CG-CG2 4.04Å; I928-I932 HydrophobicContact CG2-CD1 3.7Å; I928-I932 HydrophobicContact CG2-CG1 4.49Å; I928-I932 WeakPolarHBondContact O-CG1 3.46Å; I928-I932 PolarHBondContact O-N 3.18Å; T929-I932 PolarHBondContact O-N 3.4Å; V930-I932 VanDerWaalsContact C-N 3.34Å; V930-I932 PolarHBondContact O-N 3.38Å; I932-K934 VanDerWaalsContact C-N 3.33Å; I932-K934 PolarHBondContact O-N 3.11Å; I932-T935 WeakPolarHBondContact O-CA 3.4Å; I932-T935 WeakPolarHBondContact O-CB 3.49Å; I932-T935 PolarHBondContact O-N 2.86Å; I932-I936 HydrophobicContact CG2-CD1 3.72Å; I932-I936 HydrophobicContact CG2-CG1 4.41Å; I932-I936 WeakPolarHBondContact O-CG1 3.36Å; I932-I936 PolarHBondContact O-N 3.24Å
933L95.4Very high90.1Very high0 Ų018.5 Ų18.50%09%0.092CC..Hα-helixtrans-56.8-46.9179.2-69.9174000111.1L919 T929 T935 I936 T937 L966 L967 F970 L1000L919-L933 HydrophobicContact CD1-CD2 4.23Å; T929-L933 WeakPolarHBondContact O-CB 3.39Å; T929-L933 VanDerWaalsContact O-CG 3.28Å; T929-L933 WeakPolarHBondContact O-CG 3.29Å; T929-L933 PolarHBondContact O-N 2.9Å; L933-T935 VanDerWaalsContact C-N 3.27Å; L933-T935 PolarHBondContact O-N 3.03Å; L933-I936 PolarHBondContact O-N 2.75Å; L933-T937 PolarHBondContact O-N 3.14Å; L933-T937 PolarHBondContact O-OG1 3.1Å; L933-L966 HydrophobicContact CD2-CD2 4.14Å; L933-L967 HydrophobicContact CD2-CD2 4.18Å; L933-F970 HydrophobicContact CD1-CD1 4.42Å; L933-F970 HydrophobicContact CD1-CE1 3.8Å; L933-F970 HydrophobicContact CD1-CZ 4.28Å; L933-L1000 HydrophobicContact CD2-CD2 3.95Å
934K94.7Very high90Very high36 Ų3624 Ų2416%0.15712%0.12CC..Hα-helixtrans-64.2-29.4176.9-74.4-174.4172.4-171.90113.8N534 V930 P931 I932 E938N534-K934 PolarHBondContact OD1-NZ 3.37Å; V930-K934 HydrophobicContact CG1-CD 3.97Å; V930-K934 HydrophobicContact CG1-CG 4.31Å; V930-K934 WeakPolarHBondContact O-CB 3.38Å; V930-K934 WeakPolarHBondContact O-CG 3.24Å; V930-K934 PolarHBondContact O-N 3.38Å; P931-K934 PolarHBondContact O-N 3.43Å; I932-K934 VanDerWaalsContact C-N 3.33Å; I932-K934 PolarHBondContact O-N 3.11Å; K934-E938 PolarHBondContact O-N 3.41Å; K934-E938 VanDerWaalsContact O-N 3.15Å
935T95.6Very high89.7Confident2 Ų222 Ų221%0.01212%0.115CC..Hα-helixtrans-71.8-44.2175.2-54.80000110.2A884 L887 R888 L891 F915 P931 I932 L933 T937 E938 L939A884-T935 PolarHBondContact O-OG1 3.24Å; L887-T935 HydrophobicContact CB-CG2 4.01Å; R888-T935 HydrophobicContact CB-CG2 4.11Å; L891-T935 HydrophobicContact CD1-CG2 4.02Å; F915-T935 HydrophobicContact CE2-CG2 4.22Å; F915-T935 HydrophobicContact CZ-CG2 4.31Å; P931-T935 WeakPolarHBondContact O-CB 3.35Å; P931-T935 PolarHBondContact O-N 2.94Å; P931-T935 PolarHBondContact O-OG1 3.06Å; I932-T935 WeakPolarHBondContact O-CA 3.4Å; I932-T935 WeakPolarHBondContact O-CB 3.49Å; I932-T935 PolarHBondContact O-N 2.86Å; L933-T935 VanDerWaalsContact C-N 3.27Å; L933-T935 PolarHBondContact O-N 3.03Å; T935-T937 VanDerWaalsContact C-N 3.34Å; T935-E938 PolarHBondContact O-N 3.26Å; T935-L939 WeakPolarHBondContact O-CB 3.29Å; T935-L939 PolarHBondContact O-N 2.83Å
936I95.2Very high89.7Confident1 Ų120.6 Ų20.61%0.00511%0.108CC..Hα-helixtrans-64.9-40175.1-62.4167.6000110.4F915 I932 L933 E938 L939 I940 Y962 V963 L966 L1000F915-I936 HydrophobicContact CB-CD1 4.49Å; F915-I936 HydrophobicContact CD2-CG1 4.37Å; I932-I936 HydrophobicContact CG2-CD1 3.72Å; I932-I936 HydrophobicContact CG2-CG1 4.41Å; I932-I936 WeakPolarHBondContact O-CG1 3.36Å; I932-I936 PolarHBondContact O-N 3.24Å; L933-I936 PolarHBondContact O-N 2.75Å; I936-E938 VanDerWaalsContact C-N 3.31Å; I936-E938 PolarHBondContact O-N 3.25Å; I936-L939 VanDerWaalsContact O-CB 3.28Å; I936-L939 WeakPolarHBondContact O-CB 3.33Å; I936-L939 PolarHBondContact O-N 3.44Å; I936-L939 VanDerWaalsContact O-N 3.11Å; I936-I940 WeakPolarHBondContact O-CG1 3.4Å; I936-I940 PolarHBondContact O-N 3.01Å; I936-Y962 HydrophobicContact CD1-CE1 4.36Å; I936-V963 HydrophobicContact CG2-CG2 3.81Å; I936-L966 HydrophobicContact CD1-CD1 3.49Å; I936-L966 VanDerWaalsContact CD1-CD1 3.49Å; I936-L966 HydrophobicContact CD1-CD2 4.16Å; I936-L1000 HydrophobicContact CB-CD1 4.44Å; I936-L1000 HydrophobicContact CB-CD2 4.45Å; I936-L1000 HydrophobicContact CG2-CD1 3.86Å; I936-L1000 HydrophobicContact CG2-CD2 4.05Å
937T94.6Very high89.3Confident10 Ų1018.6 Ų18.66%0.06110%0.1CC..Hα-helixtrans-58-45.4174.8-55.40000111.2L933 T935 L939 I940 N941 L1000 I1003L933-T937 PolarHBondContact O-N 3.14Å; L933-T937 PolarHBondContact O-OG1 3.1Å; T935-T937 VanDerWaalsContact C-N 3.34Å; T937-L939 VanDerWaalsContact C-N 3.35Å; T937-I940 WeakPolarHBondContact O-CG1 3.46Å; T937-I940 PolarHBondContact O-N 3.03Å; T937-N941 WeakPolarHBondContact O-CB 3.47Å; T937-N941 PolarHBondContact O-N 3.11Å; T937-N941 VanDerWaalsContact O-N 3.16Å; T937-L1000 WeakPolarHBondContact OG1-CB 3.34Å; T937-I1003 HydrophobicContact CG2-CD1 3.28Å; T937-I1003 HydrophobicContact CG2-CG1 4.42Å
938E93.4Very high88.4Confident17 Ų1723.1 Ų23.18%0.07912%0.123CC..Hα-helixtrans-66.3-38.5175.8-174.454.8-127.100111.4R888 L891 K934 T935 I936 I940 N941 R943 R946R888-E938 HydrophobicContact CG-CB 4.41Å; L891-E938 HydrophobicContact CB-CG 3.74Å; K934-E938 PolarHBondContact O-N 3.41Å; K934-E938 VanDerWaalsContact O-N 3.15Å; T935-E938 PolarHBondContact O-N 3.26Å; I936-E938 VanDerWaalsContact C-N 3.31Å; I936-E938 PolarHBondContact O-N 3.25Å; E938-I940 VanDerWaalsContact C-N 3.34Å; E938-I940 PolarHBondContact O-N 2.66Å; E938-N941 PolarHBondContact O-N 3.42Å; E938-R943 IonicContact OE1-CZ 3.51Å; E938-R943 IonicContact OE1-NE 3.6Å; E938-R943 PolarHBondContact OE1-NE 3.11Å; E938-R943 IonicContact OE1-NH1 3.58Å; E938-R943 IonicContact OE1-NH2 3.93Å; E938-R943 PolarHBondContact OE1-NH2 3.4Å; E938-R943 IonicContact OE2-NE 3.3Å; E938-R946 PolarHBondContact O-NH2 3.49Å; E938-R946 IonicContact OE1-CZ 2.94Å; E938-R946 IonicContact OE1-NH1 3.2Å; E938-R946 IonicContact OE1-NH2 3.18Å; E938-R946 PolarHBondContact OE1-NH2 3.24Å
939L92.3Very high87.1Confident3 Ų325 Ų252%0.01613%0.131CC..Hα-helixtrans-56.5-45.4176.5-174.270.4000112.3L891 Y900 M904 L907 L912 T935 I936 T937 L959L891-L939 HydrophobicContact CD1-CB 4Å; L891-L939 HydrophobicContact CD1-CD1 3.94Å; L891-L939 HydrophobicContact CD2-CD1 3.51Å; L891-L939 HydrophobicContact CG-CD1 4.38Å; Y900-L939 HydrophobicContact CE2-CD1 4.35Å; Y900-L939 PolarHBondContact OH-O 2.92Å; M904-L939 HydrophobicContact SD-CD1 3.5Å; M904-L939 WeakPolarHBondContact SD-CD1 3.08Å; M904-L939 HydrophobicContact SD-CD2 4.5Å; M904-L939 HydrophobicContact SD-CG 4.18Å; L907-L939 HydrophobicContact CD2-CD1 3.77Å; L907-L939 HydrophobicContact CD2-CD2 3.9Å; L912-L939 HydrophobicContact CD1-CD2 4.43Å; L912-L939 HydrophobicContact CD2-CD2 3.71Å; T935-L939 WeakPolarHBondContact O-CB 3.29Å; T935-L939 PolarHBondContact O-N 2.83Å; I936-L939 VanDerWaalsContact O-CB 3.28Å; I936-L939 WeakPolarHBondContact O-CB 3.33Å; I936-L939 PolarHBondContact O-N 3.44Å; I936-L939 VanDerWaalsContact O-N 3.11Å; T937-L939 VanDerWaalsContact C-N 3.35Å; L939-L959 HydrophobicContact CD2-CD2 4.02Å; L939-L959 HydrophobicContact CG-CD2 4.47Å
940I90.4Very high85.5Confident0 Ų029.9 Ų29.90%016%0.157CC..Hα-helixtrans-86.9-5.4-177.866.2160.2000114I936 T937 E938 N942 L947 V963 L1000 I1003 C1004 L1009I936-I940 WeakPolarHBondContact O-CG1 3.4Å; I936-I940 PolarHBondContact O-N 3.01Å; T937-I940 WeakPolarHBondContact O-CG1 3.46Å; T937-I940 PolarHBondContact O-N 3.03Å; E938-I940 VanDerWaalsContact C-N 3.34Å; E938-I940 PolarHBondContact O-N 2.66Å; I940-N942 PolarHBondContact O-N 2.84Å; I940-L947 WeakPolarHBondContact O-CD1 3.36Å; I940-V963 HydrophobicContact CG2-CG2 3.91Å; I940-L1000 HydrophobicContact CD1-CD1 3.41Å; I940-L1000 VanDerWaalsContact CD1-CD1 3.41Å; I940-L1000 HydrophobicContact CG1-CD1 3.9Å; I940-I1003 HydrophobicContact CD1-CB 4.37Å; I940-I1003 HydrophobicContact CD1-CG2 4Å; I940-I1003 HydrophobicContact CG1-CG2 3.9Å; I940-C1004 HydrophobicContact CD1-CB 3.6Å; I940-L1009 HydrophobicContact CB-CD1 4.3Å; I940-L1009 HydrophobicContact CB-CD2 4.49Å
941N89.1Confident84Confident46 Ų4637.7 Ų37.725%0.24620%0.196CC..  trans-74.6116.4-178.7-169.5-1.7000110.5T937 E938 R943 R946 I1003T937-N941 WeakPolarHBondContact O-CB 3.47Å; T937-N941 PolarHBondContact O-N 3.11Å; T937-N941 VanDerWaalsContact O-N 3.16Å; E938-N941 PolarHBondContact O-N 3.42Å; N941-R943 HydrophobicContact CB-CG 4.36Å; N941-R943 WeakPolarHBondContact ND2-CG 3.5Å; N941-R943 PolarHBondContact O-N 3.44Å; N941-R946 PolarHBondContact O-NE 2.77Å; N941-R946 PolarHBondContact O-NH2 3.25Å; N941-I1003 HydrophobicContact CB-CG2 4.11Å
942N84.5Confident82.6Confident30 Ų3043 Ų4316%0.1623%0.229CC..  trans-79.852.8-178-166.89.4000113.2I940 N944 G945 R946 L947 G1007I940-N942 PolarHBondContact O-N 2.84Å; N942-N944 PolarHBondContact O-N 3.23Å; N942-G945 PolarHBondContact O-N 3.09Å; N942-G945 VanDerWaalsContact OD1-CA 3.25Å; N942-G945 WeakPolarHBondContact OD1-CA 3.27Å; N942-R946 PolarHBondContact OD1-N 3.07Å; N942-L947 HydrophobicContact CB-CB 4.11Å; N942-L947 HydrophobicContact CB-CD1 3.92Å; N942-L947 HydrophobicContact CB-CG 4.23Å; N942-L947 WeakPolarHBondContact OD1-CB 3.42Å; N942-L947 PolarHBondContact OD1-N 2.95Å; N942-G1007 WeakPolarHBondContact CB-O 3.28Å; N942-G1007 PolarHBondContact ND2-O 3.41Å
943R83.4Confident81.3Confident50 Ų5046.4 Ų46.419%0.18925%0.246CC..G310 helixtrans-65.9133178.4-61.4-173-64.4142.722.1110.6L891 Y892 N895 E938 N941 G945 R946L891-R943 PolarHBondContact O-NH2 3.38Å; Y892-R943 VanDerWaalsContact CA-NH2 3.29Å; Y892-R943 VanDerWaalsContact CD2-NH1 3.34Å; Y892-R943 VanDerWaalsContact CE2-NH1 3.34Å; Y892-R943 PolarHBondContact O-NH1 3.38Å; Y892-R943 PolarHBondContact O-NH2 3.24Å; N895-R943 PolarHBondContact OD1-NH2 3.38Å; E938-R943 IonicContact OE1-CZ 3.51Å; E938-R943 IonicContact OE1-NE 3.6Å; E938-R943 PolarHBondContact OE1-NE 3.11Å; E938-R943 IonicContact OE1-NH1 3.58Å; E938-R943 IonicContact OE1-NH2 3.93Å; E938-R943 PolarHBondContact OE1-NH2 3.4Å; E938-R943 IonicContact OE2-NE 3.3Å; N941-R943 HydrophobicContact CB-CG 4.36Å; N941-R943 WeakPolarHBondContact ND2-CG 3.5Å; N941-R943 PolarHBondContact O-N 3.44Å; R943-G945 PolarHBondContact O-N 3.28Å; R943-G945 VanDerWaalsContact O-N 3.12Å; R943-R946 VanDerWaalsContact NH2-NH1 3.15Å; R943-R946 WeakPolarHBondContact O-CG 3.42Å; R943-R946 PolarHBondContact O-N 3.49Å
944N80.8Confident80.5Confident135 Ų13550.1 Ų50.172%0.72227%0.271SS*.G310 helixtrans53.128.2-179.7-58.6-27.9000114.4N942 R946N942-N944 PolarHBondContact O-N 3.23Å; N944-R946 VanDerWaalsContact C-N 3.28Å; N944-R946 PolarHBondContact O-N 2.83Å
945G77.3Confident79.8Confident23 Ų2349.2 Ų49.224%0.23727%0.268CS..G310 helixtrans70.418.6177.800000114.8N942 R943 L947 L948N942-G945 PolarHBondContact O-N 3.09Å; N942-G945 VanDerWaalsContact OD1-CA 3.25Å; N942-G945 WeakPolarHBondContact OD1-CA 3.27Å; R943-G945 PolarHBondContact O-N 3.28Å; R943-G945 VanDerWaalsContact O-N 3.12Å; G945-L947 PolarHBondContact O-N 3.44Å; G945-L947 VanDerWaalsContact O-N 3.15Å; G945-L948 WeakPolarHBondContact O-CB 3.46Å; G945-L948 PolarHBondContact O-N 3.33Å
946R85.1Confident79.2Confident1 Ų149.3 Ų49.30%0.00427%0.27CS..THydrogen-bonded Turntrans-62.3-19.4-178.272-174.4176.5179.1-3.9114.7L891 L894 Y900 E938 N941 N942 R943 N944L891-R946 PolarHBondContact O-NH1 2.79Å; L894-R946 WeakPolarHBondContact O-CD 3.42Å; L894-R946 PolarHBondContact O-NH1 3.31Å; Y900-R946 HydrophobicContact CD2-CG 4.27Å; Y900-R946 HydrophobicContact CG-CG 4.32Å; E938-R946 PolarHBondContact O-NH2 3.49Å; E938-R946 IonicContact OE1-CZ 2.94Å; E938-R946 IonicContact OE1-NH1 3.2Å; E938-R946 IonicContact OE1-NH2 3.18Å; E938-R946 PolarHBondContact OE1-NH2 3.24Å; N941-R946 PolarHBondContact O-NE 2.77Å; N941-R946 PolarHBondContact O-NH2 3.25Å; N942-R946 PolarHBondContact OD1-N 3.07Å; R943-R946 VanDerWaalsContact NH2-NH1 3.15Å; R943-R946 WeakPolarHBondContact O-CG 3.42Å; R943-R946 PolarHBondContact O-N 3.49Å; N944-R946 VanDerWaalsContact C-N 3.28Å; N944-R946 PolarHBondContact O-N 2.83Å
947L78.2Confident78.7Confident7 Ų751.9 Ų51.94%0.03728%0.28CS..THydrogen-bonded Turntrans-98.85.5176.2-59.5175.8000113.7Y900 I940 N942 G945 Y949 L1009Y900-L947 HydrophobicContact CD1-CD2 3.98Å; Y900-L947 HydrophobicContact CE1-CD2 3.16Å; Y900-L947 HydrophobicContact CE1-CG 4.45Å; Y900-L947 HydrophobicContact CE2-CD2 4.25Å; Y900-L947 WeakPolarHBondContact OH-CD2 3.13Å; I940-L947 WeakPolarHBondContact O-CD1 3.36Å; N942-L947 HydrophobicContact CB-CB 4.11Å; N942-L947 HydrophobicContact CB-CD1 3.92Å; N942-L947 HydrophobicContact CB-CG 4.23Å; N942-L947 WeakPolarHBondContact OD1-CB 3.42Å; N942-L947 PolarHBondContact OD1-N 2.95Å; G945-L947 PolarHBondContact O-N 3.44Å; G945-L947 VanDerWaalsContact O-N 3.15Å; L947-Y949 HydrophobicContact CB-CE2 4.23Å; L947-Y949 HydrophobicContact CD2-CE2 3.97Å; L947-Y949 WeakPolarHBondContact O-CD2 3.33Å; L947-Y949 WeakPolarHBondContact O-CE2 3.45Å; L947-Y949 PolarHBondContact O-N 3.41Å; L947-L1009 HydrophobicContact CD1-CD2 3.41Å; L947-L1009 VanDerWaalsContact CD1-CD2 3.41Å
948L66.2Low78.4Confident109 Ų10954.2 Ų54.257%0.57129%0.291SS*.  trans-74.691.3175.1-67.1170.3000109.6K897 G945K897-L948 VanDerWaalsContact CE-O 3.25Å; K897-L948 WeakPolarHBondContact CE-O 3.3Å; K897-L948 PolarHBondContact NZ-O 3.08Å; G945-L948 WeakPolarHBondContact O-CB 3.46Å; G945-L948 PolarHBondContact O-N 3.33Å
949Y63.4Low78.2Confident41 Ų4153.4 Ų53.416%0.16129%0.288CS..  trans-84.9155.5178.4-67.1-70.3000112.4Y900 Q901 L947 I953 T955Y900-Y949 WeakPolarHBondContact CD1-OH 3.14Å; Y900-Y949 VanDerWaalsContact CE1-OH 3.24Å; Y900-Y949 WeakPolarHBondContact CE1-OH 3.28Å; Q901-Y949 PolarHBondContact OE1-OH 3.35Å; Q901-Y949 VanDerWaalsContact OE1-OH 3.12Å; L947-Y949 HydrophobicContact CB-CE2 4.23Å; L947-Y949 HydrophobicContact CD2-CE2 3.97Å; L947-Y949 WeakPolarHBondContact O-CD2 3.33Å; L947-Y949 WeakPolarHBondContact O-CE2 3.45Å; L947-Y949 PolarHBondContact O-N 3.41Å; Y949-I953 HydrophobicContact CD1-CB 4.39Å; Y949-I953 HydrophobicContact CD1-CD1 4.25Å; Y949-I953 HydrophobicContact CD1-CG2 4.15Å; Y949-I953 HydrophobicContact CG-CB 4.49Å; Y949-I953 HydrophobicContact CG-CG2 4.46Å; Y949-T955 HydrophobicContact CE2-CG2 3.82Å
950D56.2Low78.1Confident103 Ų10353.3 Ų53.355%0.55129%0.287SS*.  trans-64.4149164.7-153.7-18.9000108.5T952 I953D950-T952 PolarHBondContact O-N 3.43Å; D950-I953 PolarHBondContact O-N 3.36Å
951I60.8Low78.1Confident175 Ų17554 Ų5490%0.89729%0.291SS*.THydrogen-bonded Turntrans-58.1-18.6-171.4-62.2164.7000111.8
952T62.8Low78.3Confident115 Ų11553.1 Ų53.171%0.70629%0.285SS*.THydrogen-bonded Turntrans-77.5-19.2179.655.40000114.9D950D950-T952 PolarHBondContact O-N 3.43Å
953I68.9Low78.7Confident70 Ų7051.7 Ų51.736%0.35928%0.277SS..  trans-101.7113.2-170.9-54.7170.8000110.3Y949 D950 T955Y949-I953 HydrophobicContact CD1-CB 4.39Å; Y949-I953 HydrophobicContact CD1-CD1 4.25Å; Y949-I953 HydrophobicContact CD1-CG2 4.15Å; Y949-I953 HydrophobicContact CG-CB 4.49Å; Y949-I953 HydrophobicContact CG-CG2 4.46Å; D950-I953 PolarHBondContact O-N 3.36Å; I953-T955 VanDerWaalsContact CG2-OG1 3.23Å; I953-T955 WeakPolarHBondContact CG2-OG1 3.49Å; I953-T955 PolarHBondContact O-N 2.95Å
954P77.4Confident79.2Confident79 Ų7949.4 Ų49.451%0.51327%0.269SS..THydrogen-bonded Turntrans-79.816.9-172.333.8-37.3000114.5G956 Y957 L958P954-G956 VanDerWaalsContact C-N 3.32Å; P954-G956 PolarHBondContact O-N 3.14Å; P954-Y957 WeakPolarHBondContact O-CB 3.38Å; P954-Y957 PolarHBondContact O-N 3.21Å; P954-L958 HydrophobicContact CG-CD1 4.36Å; P954-L958 WeakPolarHBondContact O-CG 3.48Å; P954-L958 PolarHBondContact O-N 2.62Å
955T80.6Confident79.8Confident16 Ų1648 Ų4810%0.09826%0.256CS..Hα-helixtrans-56.5-44-173.4-55.50000112.3M904 Y949 I953 Y957 L958 L959M904-T955 HydrophobicContact CE-CG2 4.11Å; Y949-T955 HydrophobicContact CE2-CG2 3.82Å; I953-T955 VanDerWaalsContact CG2-OG1 3.23Å; I953-T955 WeakPolarHBondContact CG2-OG1 3.49Å; I953-T955 PolarHBondContact O-N 2.95Å; T955-Y957 VanDerWaalsContact C-N 3.32Å; T955-Y957 PolarHBondContact O-N 3.27Å; T955-L958 PolarHBondContact O-N 3.16Å; T955-L959 HydrophobicContact CG2-CD1 4.01Å; T955-L959 HydrophobicContact CG2-CG 4.29Å; T955-L959 WeakPolarHBondContact O-CB 3.32Å; T955-L959 WeakPolarHBondContact O-CG 3.42Å; T955-L959 PolarHBondContact O-N 2.96Å
956G82.9Confident80.6Confident5 Ų547 Ų475%0.05225%0.246CC..Hα-helixtrans-60-41.2177.200000112.8P954 L959 F960P954-G956 VanDerWaalsContact C-N 3.32Å; P954-G956 PolarHBondContact O-N 3.14Å; G956-L959 PolarHBondContact O-N 3.34Å; G956-F960 WeakPolarHBondContact O-CB 3.06Å; G956-F960 PolarHBondContact O-N 3.43Å
957Y85.3Confident81Confident55 Ų5547 Ų4722%0.21625%0.246CC..Hα-helixtrans-66-42.7178.1174.7-92.1000111.6P954 T955 T961 V1014 F1015 F1018 N1020P954-Y957 WeakPolarHBondContact O-CB 3.38Å; P954-Y957 PolarHBondContact O-N 3.21Å; T955-Y957 VanDerWaalsContact C-N 3.32Å; T955-Y957 PolarHBondContact O-N 3.27Å; Y957-T961 WeakPolarHBondContact O-CB 3.34Å; Y957-T961 PolarHBondContact O-N 3.49Å; Y957-T961 PolarHBondContact O-OG1 3.31Å; Y957-V1014 HydrophobicContact CD2-CG1 4.16Å; Y957-V1014 HydrophobicContact CE2-CG1 4.47Å; Y957-F1015 HydrophobicContact CD2-CD1 4.39Å; Y957-F1015 AromaticContact CD2-CE1 3.79Å; Y957-F1015 HydrophobicContact CD2-CE1 3.79Å; Y957-F1015 HydrophobicContact CD2-CZ 4.18Å; Y957-F1015 AromaticContact CE2-CD1 3.87Å; Y957-F1015 HydrophobicContact CE2-CD1 3.87Å; Y957-F1015 AromaticContact CE2-CE1 3.55Å; Y957-F1015 HydrophobicContact CE2-CE1 3.55Å; Y957-F1015 HydrophobicContact CE2-CZ 4.39Å; Y957-F1018 HydrophobicContact CE2-CD2 4.18Å; Y957-N1020 PolarHBondContact OH-ND2 3.39Å
958L87.4Confident81.8Confident58 Ų5847.4 Ų47.430%0.30425%0.249SC..Hα-helixtrans-65.6-43.8178-64.7175.1000111.6Y908 P954 T955 T961 Y962Y908-L958 HydrophobicContact CE1-CD1 4.16Å; Y908-L958 HydrophobicContact CE2-CB 4.15Å; P954-L958 HydrophobicContact CG-CD1 4.36Å; P954-L958 WeakPolarHBondContact O-CG 3.48Å; P954-L958 PolarHBondContact O-N 2.62Å; T955-L958 PolarHBondContact O-N 3.16Å; L958-T961 PolarHBondContact O-N 3.39Å; L958-Y962 WeakPolarHBondContact O-CB 3.43Å; L958-Y962 PolarHBondContact O-N 3.43Å
959L89.1Confident83Confident1 Ų145 Ų451%0.00524%0.237CC..Hα-helixtrans-63.1-47.3177-77.6177.1000111.7M904 L912 L939 T955 G956 T961 Y962 V963M904-L959 HydrophobicContact CE-CD1 4.19Å; M904-L959 HydrophobicContact CE-CD2 3.69Å; M904-L959 HydrophobicContact CE-CG 4.12Å; M904-L959 HydrophobicContact SD-CD2 4.45Å; L912-L959 HydrophobicContact CD1-CD2 4.2Å; L939-L959 HydrophobicContact CD2-CD2 4.02Å; L939-L959 HydrophobicContact CG-CD2 4.47Å; T955-L959 HydrophobicContact CG2-CD1 4.01Å; T955-L959 HydrophobicContact CG2-CG 4.29Å; T955-L959 WeakPolarHBondContact O-CB 3.32Å; T955-L959 WeakPolarHBondContact O-CG 3.42Å; T955-L959 PolarHBondContact O-N 2.96Å; G956-L959 PolarHBondContact O-N 3.34Å; L959-T961 PolarHBondContact O-N 3.18Å; L959-Y962 PolarHBondContact O-N 3.45Å; L959-V963 WeakPolarHBondContact O-CG2 3.38Å; L959-V963 PolarHBondContact O-N 2.89Å
960F90.5Very high84.4Confident0 Ų043.2 Ų43.20%023%0.23CC..Hα-helixtrans-61.8-46.4178.2-171.5-77.1000111.5G956 Y962 V963 S964 C1004 L1005 I1010 F1012 F1015 L1023 L1026G956-F960 WeakPolarHBondContact O-CB 3.06Å; G956-F960 PolarHBondContact O-N 3.43Å; F960-Y962 VanDerWaalsContact C-N 3.28Å; F960-Y962 PolarHBondContact O-N 3.45Å; F960-V963 PolarHBondContact O-N 3.45Å; F960-S964 WeakPolarHBondContact O-CB 3.44Å; F960-S964 PolarHBondContact O-N 2.98Å; F960-C1004 VanDerWaalsContact CD2-SG 3.53Å; F960-L1005 HydrophobicContact CE2-CD2 4.46Å; F960-I1010 HydrophobicContact CB-CD1 3.57Å; F960-I1010 HydrophobicContact CD1-CD1 4.39Å; F960-I1010 HydrophobicContact CD2-CD1 4.13Å; F960-I1010 HydrophobicContact CG-CD1 3.77Å; F960-F1012 HydrophobicContact CD2-CE1 4.08Å; F960-F1012 HydrophobicContact CE2-CD1 4.41Å; F960-F1012 AromaticContact CE2-CE1 3.51Å; F960-F1012 HydrophobicContact CE2-CE1 3.51Å; F960-F1012 HydrophobicContact CE2-CZ 4.26Å; F960-F1012 HydrophobicContact CZ-CE1 4.03Å; F960-F1015 HydrophobicContact CB-CZ 4.07Å; F960-F1015 HydrophobicContact CD1-CE1 4.03Å; F960-F1015 AromaticContact CD1-CE2 3.59Å; F960-F1015 HydrophobicContact CD1-CE2 3.59Å; F960-F1015 AromaticContact CD1-CZ 3.13Å; F960-F1015 HydrophobicContact CD1-CZ 3.13Å; F960-F1015 HydrophobicContact CE1-CE1 4.48Å; F960-F1015 AromaticContact CE1-CE2 3.7Å; F960-F1015 HydrophobicContact CE1-CE2 3.7Å; F960-F1015 AromaticContact CE1-CZ 3.66Å; F960-F1015 HydrophobicContact CE1-CZ 3.66Å; F960-F1015 HydrophobicContact CG-CE2 4.03Å; F960-F1015 AromaticContact CG-CZ 3.69Å; F960-F1015 HydrophobicContact CG-CZ 3.69Å; F960-F1015 HydrophobicContact CZ-CE2 4.25Å; F960-L1023 HydrophobicContact CE1-CB 4.15Å; F960-L1023 HydrophobicContact CE1-CD1 4.37Å; F960-L1023 HydrophobicContact CE2-CD1 4.43Å; F960-L1023 HydrophobicContact CZ-CB 4.25Å; F960-L1023 HydrophobicContact CZ-CD1 3.62Å; F960-L1026 HydrophobicContact CE1-CD2 4.16Å; F960-L1026 HydrophobicContact CE2-CD2 3.8Å; F960-L1026 HydrophobicContact CZ-CB 4.46Å; F960-L1026 HydrophobicContact CZ-CD2 3.43Å; F960-L1026 VanDerWaalsContact CZ-CD2 3.43Å
961T91.2Very high86Confident15 Ų1538.3 Ų38.39%0.09220%0.204CC..Hα-helixtrans-61.8-37.8178.4-590000111.5Y957 L958 L959 K965Y957-T961 WeakPolarHBondContact O-CB 3.34Å; Y957-T961 PolarHBondContact O-N 3.49Å; Y957-T961 PolarHBondContact O-OG1 3.31Å; L958-T961 PolarHBondContact O-N 3.39Å; L959-T961 PolarHBondContact O-N 3.18Å; T961-K965 HydrophobicContact CG2-CD 4.32Å; T961-K965 WeakPolarHBondContact O-CG 3.46Å; T961-K965 PolarHBondContact O-N 3.1Å; T961-K965 VanDerWaalsContact O-N 3.17Å
962Y92.5Very high87.4Confident27 Ų2734.5 Ų34.511%0.10618%0.184CC..Hα-helixtrans-65-50.8174.5167.6-99.2000111.9L912 K916 I936 L958 L959 F960 S964 K965 L966L912-Y962 HydrophobicContact CB-CD2 4.07Å; L912-Y962 HydrophobicContact CB-CE1 4.13Å; L912-Y962 HydrophobicContact CB-CE2 3.59Å; L912-Y962 HydrophobicContact CD1-CD1 3.87Å; L912-Y962 HydrophobicContact CD1-CD2 4.4Å; L912-Y962 HydrophobicContact CD1-CE1 4.01Å; L912-Y962 HydrophobicContact CD1-CG 4.07Å; L912-Y962 HydrophobicContact CD2-CE1 4.02Å; L912-Y962 HydrophobicContact CG-CE1 4.29Å; L912-Y962 WeakPolarHBondContact O-CE2 3.44Å; L912-Y962 PolarHBondContact O-OH 3.46Å; K916-Y962 HydrophobicContact CB-CE2 4.12Å; I936-Y962 HydrophobicContact CD1-CE1 4.36Å; L958-Y962 WeakPolarHBondContact O-CB 3.43Å; L958-Y962 PolarHBondContact O-N 3.43Å; L959-Y962 PolarHBondContact O-N 3.45Å; F960-Y962 VanDerWaalsContact C-N 3.28Å; F960-Y962 PolarHBondContact O-N 3.45Å; Y962-S964 VanDerWaalsContact C-N 3.33Å; Y962-S964 PolarHBondContact O-N 2.93Å; Y962-K965 PolarHBondContact O-N 3.21Å; Y962-L966 HydrophobicContact CE1-CD1 3.91Å; Y962-L966 HydrophobicContact CE2-CD1 4.22Å; Y962-L966 VanDerWaalsContact CZ-CD1 3.5Å; Y962-L966 WeakPolarHBondContact O-CB 3.29Å; Y962-L966 PolarHBondContact O-N 3.39Å; Y962-L966 WeakPolarHBondContact OH-CD1 3.5Å
963V93.1Very high88.6Confident0 Ų031.7 Ų31.70%016%0.164CC..Hα-helixtrans-62.1-41.3-179.6171.70000111.3I936 I940 L959 F960 L966 L967 L1000 C1004I936-V963 HydrophobicContact CG2-CG2 3.81Å; I940-V963 HydrophobicContact CG2-CG2 3.91Å; L959-V963 WeakPolarHBondContact O-CG2 3.38Å; L959-V963 PolarHBondContact O-N 2.89Å; F960-V963 PolarHBondContact O-N 3.45Å; V963-L966 PolarHBondContact O-N 3.09Å; V963-L967 HydrophobicContact CG1-CD1 3.81Å; V963-L967 HydrophobicContact CG1-CG 4.33Å; V963-L967 WeakPolarHBondContact O-CB 3.18Å; V963-L967 PolarHBondContact O-N 3.25Å; V963-L1000 HydrophobicContact CG1-CD1 4.41Å; V963-L1000 HydrophobicContact CG1-CD2 4.26Å; V963-L1000 HydrophobicContact CG1-CG 4.22Å; V963-C1004 HydrophobicContact CG1-CB 4.43Å
964S93.8Very high89.5Confident2 Ų228.4 Ų28.41%0.01415%0.147CC..Hα-helixtrans-56.8-55174.1172.60000112.1F960 Y962 L966 L967 C968 S1022F960-S964 WeakPolarHBondContact O-CB 3.44Å; F960-S964 PolarHBondContact O-N 2.98Å; Y962-S964 VanDerWaalsContact C-N 3.33Å; Y962-S964 PolarHBondContact O-N 2.93Å; S964-L966 VanDerWaalsContact C-N 3.3Å; S964-L966 PolarHBondContact O-N 3.31Å; S964-L967 PolarHBondContact O-N 2.91Å; S964-C968 WeakPolarHBondContact O-CB 3.37Å; S964-C968 PolarHBondContact O-N 3.45Å; S964-C968 PolarHBondContact O-SG 3.11Å; S964-S1022 WeakPolarHBondContact CB-O 3.44Å; S964-S1022 PolarHBondContact OG-O 3.41Å
965K93.8Very high89.9Confident107 Ų10726.8 Ų26.847%0.46513%0.133SC..Hα-helixtrans-59.6-40.5178.2-70.7174.3-177.11780112.5T961 Y962 N969T961-K965 HydrophobicContact CG2-CD 4.32Å; T961-K965 WeakPolarHBondContact O-CG 3.46Å; T961-K965 PolarHBondContact O-N 3.1Å; T961-K965 VanDerWaalsContact O-N 3.17Å; Y962-K965 PolarHBondContact O-N 3.21Å; K965-N969 WeakPolarHBondContact O-CB 3.2Å; K965-N969 VanDerWaalsContact O-CG 3.29Å; K965-N969 PolarHBondContact O-N 3.32Å; K965-N969 PolarHBondContact O-OD1 3.24Å
966L94.1Very high90.1Very high2 Ų229.8 Ų29.81%0.0116%0.155CC..Hα-helixtrans-65-48.7179.6178.6147.3000111.8K916 L919 L933 I936 Y962 V963 S964 N969 F970K916-L966 HydrophobicContact CB-CD1 4.35Å; L919-L966 HydrophobicContact CD1-CD1 3.81Å; L919-L966 HydrophobicContact CD1-CD2 3.58Å; L919-L966 HydrophobicContact CD1-CG 3.73Å; L933-L966 HydrophobicContact CD2-CD2 4.14Å; I936-L966 HydrophobicContact CD1-CD1 3.49Å; I936-L966 VanDerWaalsContact CD1-CD1 3.49Å; I936-L966 HydrophobicContact CD1-CD2 4.16Å; Y962-L966 HydrophobicContact CE1-CD1 3.91Å; Y962-L966 HydrophobicContact CE2-CD1 4.22Å; Y962-L966 VanDerWaalsContact CZ-CD1 3.5Å; Y962-L966 WeakPolarHBondContact O-CB 3.29Å; Y962-L966 PolarHBondContact O-N 3.39Å; Y962-L966 WeakPolarHBondContact OH-CD1 3.5Å; V963-L966 PolarHBondContact O-N 3.09Å; S964-L966 VanDerWaalsContact C-N 3.3Å; S964-L966 PolarHBondContact O-N 3.31Å; L966-N969 PolarHBondContact O-N 3.3Å; L966-F970 VanDerWaalsContact O-CB 3.26Å; L966-F970 WeakPolarHBondContact O-CB 3.46Å; L966-F970 PolarHBondContact O-N 3.18Å
967L93.8Very high89.9Confident0 Ų032 Ų320%017%0.166CC..Hα-helixtrans-72.3-33.8-178.2-80.6178000112.9L933 V963 S964 G971 L1000 L1001 L1026L933-L967 HydrophobicContact CD2-CD2 4.18Å; V963-L967 HydrophobicContact CG1-CD1 3.81Å; V963-L967 HydrophobicContact CG1-CG 4.33Å; V963-L967 WeakPolarHBondContact O-CB 3.18Å; V963-L967 PolarHBondContact O-N 3.25Å; S964-L967 PolarHBondContact O-N 2.91Å; L967-G971 VanDerWaalsContact O-CA 3.31Å; L967-G971 WeakPolarHBondContact O-CA 3.28Å; L967-G971 PolarHBondContact O-N 2.78Å; L967-L1000 HydrophobicContact CD1-CD2 3.86Å; L967-L1000 HydrophobicContact CD1-CG 4Å; L967-L1000 HydrophobicContact CD2-CD2 4.01Å; L967-L1000 HydrophobicContact CG-CD2 4.01Å; L967-L1001 HydrophobicContact CD1-CD2 3.45Å; L967-L1001 VanDerWaalsContact CD1-CD2 3.45Å; L967-L1001 HydrophobicContact CD1-CG 3.71Å; L967-L1026 HydrophobicContact CB-CD1 4.33Å; L967-L1026 HydrophobicContact CD1-CD1 4.03Å
968C94Very high89.2Confident16 Ų1631.1 Ų31.111%0.10817%0.166CC..Hα-helixtrans-62.8-47.8172.6-66.30000111S964 L972 R1025S964-C968 WeakPolarHBondContact O-CB 3.37Å; S964-C968 PolarHBondContact O-N 3.45Å; S964-C968 PolarHBondContact O-SG 3.11Å; C968-L972 WeakPolarHBondContact O-CB 3.3Å; C968-L972 WeakPolarHBondContact O-CD1 3.45Å; C968-L972 WeakPolarHBondContact O-CG 3.3Å; C968-L972 PolarHBondContact O-N 3.05Å; C968-L972 VanDerWaalsContact O-N 3.12Å; C968-R1025 PolarHBondContact SG-O 2.92Å
969N91.2Very high88Confident59 Ų5934.3 Ų34.332%0.31619%0.191SC..Hα-helixtrans-63-49.9178.9-736.4000111.4K916 E920 K965 L966 Q973K916-N969 WeakPolarHBondContact CE-ND2 3.41Å; E920-N969 PolarHBondContact OE1-ND2 3.35Å; K965-N969 WeakPolarHBondContact O-CB 3.2Å; K965-N969 VanDerWaalsContact O-CG 3.29Å; K965-N969 PolarHBondContact O-N 3.32Å; K965-N969 PolarHBondContact O-OD1 3.24Å; L966-N969 PolarHBondContact O-N 3.3Å; N969-Q973 WeakPolarHBondContact O-CG 3.45Å; N969-Q973 PolarHBondContact O-N 3.08Å
970F92.4Very high86.7Confident2 Ų242.6 Ų42.61%0.00923%0.23CC..Hα-helixtrans-67.9-45.3-178.4176-107.2000112.5L919 P923 T929 L933 L966 Q973 L974 P993L919-F970 HydrophobicContact CB-CD2 4.17Å; L919-F970 HydrophobicContact CD2-CD2 4.31Å; L919-F970 HydrophobicContact CD2-CE2 4.4Å; P923-F970 HydrophobicContact CB-CE2 4.4Å; T929-F970 HydrophobicContact CG2-CE2 3.68Å; T929-F970 HydrophobicContact CG2-CZ 4.13Å; L933-F970 HydrophobicContact CD1-CD1 4.42Å; L933-F970 HydrophobicContact CD1-CE1 3.8Å; L933-F970 HydrophobicContact CD1-CZ 4.28Å; L966-F970 VanDerWaalsContact O-CB 3.26Å; L966-F970 WeakPolarHBondContact O-CB 3.46Å; L966-F970 PolarHBondContact O-N 3.18Å; F970-Q973 PolarHBondContact O-N 3.29Å; F970-L974 HydrophobicContact CE1-CD2 4.08Å; F970-L974 HydrophobicContact CZ-CD2 4.24Å; F970-L974 WeakPolarHBondContact O-CB 3.39Å; F970-L974 PolarHBondContact O-N 2.62Å; F970-P993 HydrophobicContact CE1-CB 4.39Å; F970-P993 HydrophobicContact CZ-CB 4.02Å
971G90.8Very high85.7Confident1 Ų144 Ų441%0.0124%0.237CC..Hα-helixtrans-63-43.2-178.300000112.4L967 Q973 L974 I975L967-G971 VanDerWaalsContact O-CA 3.31Å; L967-G971 WeakPolarHBondContact O-CA 3.28Å; L967-G971 PolarHBondContact O-N 2.78Å; G971-Q973 PolarHBondContact O-N 2.87Å; G971-L974 PolarHBondContact O-N 3.39Å; G971-I975 WeakPolarHBondContact O-CB 3.32Å; G971-I975 VanDerWaalsContact O-CG1 3.24Å; G971-I975 WeakPolarHBondContact O-CG1 3.27Å; G971-I975 PolarHBondContact O-N 3.49Å
972L90.2Very high84.5Confident94 Ų9447.2 Ų47.249%0.49226%0.258SS..Hα-helixtrans-62.8-42.5176.5-71.9173.2000111.9C968 L974 I975 S976 I1029C968-L972 WeakPolarHBondContact O-CB 3.3Å; C968-L972 WeakPolarHBondContact O-CD1 3.45Å; C968-L972 WeakPolarHBondContact O-CG 3.3Å; C968-L972 PolarHBondContact O-N 3.05Å; C968-L972 VanDerWaalsContact O-N 3.12Å; L972-L974 VanDerWaalsContact C-N 3.35Å; L972-I975 PolarHBondContact O-N 3.44Å; L972-S976 WeakPolarHBondContact O-CB 3.34Å; L972-S976 PolarHBondContact O-N 3.19Å; L972-S976 PolarHBondContact O-OG 3.35Å; L972-I1029 HydrophobicContact CD2-CD1 4.24Å; L972-I1029 HydrophobicContact CG-CD1 4.22Å
973Q88Confident83.3Confident57 Ų5754.9 Ų54.927%0.26629%0.293SS..Hα-helixtrans-65.3-37.4175.8-71.8179.2-6.900112.5P923 N969 F970 G971 S976 N977P923-Q973 HydrophobicContact CB-CB 4.06Å; P923-Q973 HydrophobicContact CG-CB 4.48Å; N969-Q973 WeakPolarHBondContact O-CG 3.45Å; N969-Q973 PolarHBondContact O-N 3.08Å; F970-Q973 PolarHBondContact O-N 3.29Å; G971-Q973 PolarHBondContact O-N 2.87Å; Q973-S976 PolarHBondContact O-OG 3.22Å; Q973-S976 VanDerWaalsContact O-OG 3.06Å; Q973-N977 WeakPolarHBondContact O-CB 3.27Å; Q973-N977 VanDerWaalsContact O-CG 3.24Å; Q973-N977 PolarHBondContact O-N 2.93Å; Q973-N977 PolarHBondContact O-ND2 3.39Å; Q973-N977 VanDerWaalsContact O-ND2 3.12Å
974L86.7Confident82.2Confident1 Ų163 Ų631%0.00534%0.336CS..Hα-helixtrans-67.4-46177.9-173.465.1000110.8F970 G971 L972 N977 T978 P993 I994F970-L974 HydrophobicContact CE1-CD2 4.08Å; F970-L974 HydrophobicContact CZ-CD2 4.24Å; F970-L974 WeakPolarHBondContact O-CB 3.39Å; F970-L974 PolarHBondContact O-N 2.62Å; G971-L974 PolarHBondContact O-N 3.39Å; L972-L974 VanDerWaalsContact C-N 3.35Å; L974-N977 PolarHBondContact O-N 3.43Å; L974-T978 WeakPolarHBondContact O-CG2 3.37Å; L974-T978 PolarHBondContact O-N 3.27Å; L974-P993 HydrophobicContact CD1-CB 4.41Å; L974-P993 HydrophobicContact CD2-CB 4.01Å; L974-I994 HydrophobicContact CD2-CG1 3.62Å
975I87Confident81.2Confident44 Ų4464 Ų6423%0.22634%0.343CS..Hα-helixtrans-64.3-46.9179.3-66.4167.1000110.6G971 L972 N977 T978 I1029 Q1032 L1033G971-I975 WeakPolarHBondContact O-CB 3.32Å; G971-I975 VanDerWaalsContact O-CG1 3.24Å; G971-I975 WeakPolarHBondContact O-CG1 3.27Å; G971-I975 PolarHBondContact O-N 3.49Å; L972-I975 PolarHBondContact O-N 3.44Å; I975-N977 PolarHBondContact O-N 3.35Å; I975-T978 PolarHBondContact O-N 3.23Å; I975-T978 PolarHBondContact O-OG1 2.93Å; I975-I1029 HydrophobicContact CD1-CD1 3.99Å; I975-Q1032 HydrophobicContact CD1-CB 3.77Å; I975-L1033 HydrophobicContact CD1-CD2 3.97Å; I975-L1033 HydrophobicContact CD1-CG 4.32Å; I975-L1033 HydrophobicContact CG1-CD2 4.06Å
976S85.1Confident80.6Confident80 Ų8061.1 Ų61.156%0.55933%0.332SS*.Hα-helixtrans-60.6-29.5-177.567.20000113.7L972 Q973L972-S976 WeakPolarHBondContact O-CB 3.34Å; L972-S976 PolarHBondContact O-N 3.19Å; L972-S976 PolarHBondContact O-OG 3.35Å; Q973-S976 PolarHBondContact O-OG 3.22Å; Q973-S976 VanDerWaalsContact O-OG 3.06Å
977N78.4Confident80Confident52 Ų5263.8 Ų63.828%0.27834%0.343SS..THydrogen-bonded Turntrans-95.4-4-174.8-65.2-16.7000113.5L924 Q973 L974 I975 C979 Q980L924-N977 HydrophobicContact CD1-CB 4.37Å; L924-N977 HydrophobicContact CD2-CB 3.85Å; Q973-N977 WeakPolarHBondContact O-CB 3.27Å; Q973-N977 VanDerWaalsContact O-CG 3.24Å; Q973-N977 PolarHBondContact O-N 2.93Å; Q973-N977 PolarHBondContact O-ND2 3.39Å; Q973-N977 VanDerWaalsContact O-ND2 3.12Å; L974-N977 PolarHBondContact O-N 3.43Å; I975-N977 PolarHBondContact O-N 3.35Å; N977-C979 VanDerWaalsContact C-N 3.29Å; N977-C979 PolarHBondContact O-N 3.31Å; N977-Q980 PolarHBondContact O-N 2.93Å
978T69.7Low79.5Confident36 Ų3666.5 Ų66.522%0.22136%0.355CS..G310 helixtrans-62.8-28.7-174.751.90000114.7L974 I975 Q980 I981 K990L974-T978 WeakPolarHBondContact O-CG2 3.37Å; L974-T978 PolarHBondContact O-N 3.27Å; I975-T978 PolarHBondContact O-N 3.23Å; I975-T978 PolarHBondContact O-OG1 2.93Å; T978-Q980 PolarHBondContact O-N 3.34Å; T978-Q980 VanDerWaalsContact O-N 3.09Å; T978-I981 PolarHBondContact O-N 3.19Å; T978-K990 HydrophobicContact CG2-CD 4.15Å; T978-K990 HydrophobicContact CG2-CG 4.05Å
979C63.2Low78.8Confident124 Ų12468.7 Ų68.784%0.83837%0.365SS*.G310 helixtrans-65.3-13.2-177.8-62.80000114.5N977N977-C979 VanDerWaalsContact C-N 3.29Å; N977-C979 PolarHBondContact O-N 3.31Å
980Q62.4Low78.5Confident175 Ų17566.9 Ų66.982%0.81835%0.354SS*.G310 helixtrans-106.14.4-174.2-62.3-177.7-200114N977 T978 P982N977-Q980 PolarHBondContact O-N 2.93Å; T978-Q980 PolarHBondContact O-N 3.34Å; T978-Q980 VanDerWaalsContact O-N 3.09Å; Q980-P982 WeakPolarHBondContact O-CD 3.49Å
981I67.6Low78.3Confident30 Ų3066.9 Ų66.915%0.15435%0.354CS..  trans-86123-171.1-57173.9000110.9T978 S985 M989 K990T978-I981 PolarHBondContact O-N 3.19Å; I981-S985 WeakPolarHBondContact CG2-OG 3.42Å; I981-M989 HydrophobicContact CD1-CB 4.23Å; I981-M989 HydrophobicContact CG2-CB 4.04Å; I981-M989 HydrophobicContact CG2-SD 4.38Å; I981-K990 HydrophobicContact CD1-CB 3.89Å
982P67.6Low78.2Confident82 Ų8267.6 Ų67.653%0.53236%0.357SS..  trans-65.4139.7175.515.2-18.1000111.6Q980 N984 S985 L986Q980-P982 WeakPolarHBondContact O-CD 3.49Å; P982-N984 PolarHBondContact O-N 3.08Å; P982-N984 VanDerWaalsContact O-N 3.07Å; P982-S985 WeakPolarHBondContact CD-OG 3.4Å; P982-S985 WeakPolarHBondContact CG-OG 3.48Å; P982-S985 PolarHBondContact O-N 3.42Å; P982-S985 PolarHBondContact O-OG 3.33Å; P982-L986 PolarHBondContact O-N 2.99Å
983K67.6Low78.2Confident189 Ų18963.1 Ų63.182%0.82233%0.334SS*.G310 helixtrans-48.7-40-176.6-70.7-173.8177.4-177.10113.2S985 L986K983-S985 PolarHBondContact O-N 3.32Å; K983-L986 VanDerWaalsContact O-CB 3.31Å; K983-L986 WeakPolarHBondContact O-CB 3.27Å; K983-L986 PolarHBondContact O-N 2.87Å
984N69.2Low78.4Confident170 Ų17060.4 Ų60.491%0.90932%0.321SS*.G310 helixtrans-64-24.2-179.7-63.22.1000113.6P982P982-N984 PolarHBondContact O-N 3.08Å; P982-N984 VanDerWaalsContact O-N 3.07Å
985S73Confident78.6Confident24 Ų2461.6 Ų61.617%0.16833%0.327CS..G310 helixtrans-106.20.2-178.465.90000113.7I981 P982 K983 Y987 E988 M989I981-S985 WeakPolarHBondContact CG2-OG 3.42Å; P982-S985 WeakPolarHBondContact CD-OG 3.4Å; P982-S985 WeakPolarHBondContact CG-OG 3.48Å; P982-S985 PolarHBondContact O-N 3.42Å; P982-S985 PolarHBondContact O-OG 3.33Å; K983-S985 PolarHBondContact O-N 3.32Å; S985-Y987 VanDerWaalsContact C-N 3.33Å; S985-Y987 PolarHBondContact O-N 2.86Å; S985-E988 PolarHBondContact O-N 3.46Å; S985-M989 PolarHBondContact O-N 3.42Å
986L80.7Confident78.9Confident46 Ų4659.9 Ų59.924%0.24132%0.319CS..Hα-helixtrans-56.5-44.5-172.7-178.2142.1000112.2P982 K983 E988 K990 L991P982-L986 PolarHBondContact O-N 2.99Å; K983-L986 VanDerWaalsContact O-CB 3.31Å; K983-L986 WeakPolarHBondContact O-CB 3.27Å; K983-L986 PolarHBondContact O-N 2.87Å; L986-E988 VanDerWaalsContact C-N 3.34Å; L986-E988 PolarHBondContact O-N 2.97Å; L986-K990 WeakPolarHBondContact O-CA 3.3Å; L986-K990 VanDerWaalsContact O-CB 3.3Å; L986-K990 WeakPolarHBondContact O-CB 3.31Å; L986-K990 PolarHBondContact O-N 3.42Å; L986-L991 HydrophobicContact CD2-CD1 3.53Å; L986-L991 HydrophobicContact CD2-CD2 4.21Å; L986-L991 HydrophobicContact CD2-CG 3.73Å; L986-L991 PolarHBondContact O-N 3.28Å; L986-L991 VanDerWaalsContact O-N 3.16Å
987Y82.4Confident79.3Confident58 Ų5856 Ų5623%0.22729%0.292CS..Iπ-helixtrans-61.2-41.6178179.1-110.3000112.5I537 S985 L991 K992 H1045I537-Y987 HydrophobicContact CD1-CE1 4.4Å; S985-Y987 VanDerWaalsContact C-N 3.33Å; S985-Y987 PolarHBondContact O-N 2.86Å; Y987-L991 HydrophobicContact CD2-CB 4.08Å; Y987-L991 HydrophobicContact CD2-CD1 4.09Å; Y987-L991 PolarHBondContact O-N 3.1Å; Y987-K992 HydrophobicContact CD1-CD 4.48Å; Y987-K992 HydrophobicContact CD1-CG 4.33Å; Y987-K992 HydrophobicContact CE1-CD 4.16Å; Y987-K992 HydrophobicContact CE1-CG 3.96Å; Y987-K992 HydrophobicContact CE2-CG 4.5Å; Y987-K992 WeakPolarHBondContact O-CG 3.46Å; Y987-K992 PolarHBondContact O-N 2.91Å; Y987-H1045 AromaticContact CD2-CE1 3.95Å; Y987-H1045 AromaticContact CD2-NE2 3.99Å
988E81.8Confident80.1Confident56 Ų5653.6 Ų53.626%0.26228%0.279SS..Iπ-helixtrans-80.3-44.4-174.3-50.3-150.812000113.2Y926 S985 L986 K992 P993Y926-E988 WeakPolarHBondContact CB-O 3.32Å; Y926-E988 HydrophobicContact CD1-CB 3.77Å; Y926-E988 HydrophobicContact CE1-CB 3.55Å; Y926-E988 HydrophobicContact CE1-CG 4.38Å; Y926-E988 WeakPolarHBondContact CE1-OE2 3.46Å; Y926-E988 HydrophobicContact CG-CB 4.36Å; Y926-E988 VanDerWaalsContact CZ-OE2 3.25Å; Y926-E988 VanDerWaalsContact OH-CD 3.25Å; Y926-E988 PolarHBondContact OH-OE1 3.43Å; Y926-E988 PolarHBondContact OH-OE2 2.82Å; S985-E988 PolarHBondContact O-N 3.46Å; L986-E988 VanDerWaalsContact C-N 3.34Å; L986-E988 PolarHBondContact O-N 2.97Å; E988-K992 IonicContact OE1-NZ 2.73Å; E988-K992 PolarHBondContact OE1-NZ 3.47Å; E988-P993 WeakPolarHBondContact O-CD 3.45Å
989M80.2Confident81.2Confident62 Ų6253.5 Ų53.531%0.30528%0.277SS..Iπ-helixtrans-85.3-33.2-174.3-64.3-174.1113.400113.2I981 S985I981-M989 HydrophobicContact CD1-CB 4.23Å; I981-M989 HydrophobicContact CG2-CB 4.04Å; I981-M989 HydrophobicContact CG2-SD 4.38Å; S985-M989 PolarHBondContact O-N 3.42Å
990K84.8Confident82.7Confident21 Ų2147.6 Ų47.69%0.09124%0.237CC..Iπ-helixtrans-101.7-60.1180-175.4-172.3172.6-161.10111.4T978 I981 L986 P993 I994 S1036 E1041T978-K990 HydrophobicContact CG2-CD 4.15Å; T978-K990 HydrophobicContact CG2-CG 4.05Å; I981-K990 HydrophobicContact CD1-CB 3.89Å; L986-K990 WeakPolarHBondContact O-CA 3.3Å; L986-K990 VanDerWaalsContact O-CB 3.3Å; L986-K990 WeakPolarHBondContact O-CB 3.31Å; L986-K990 PolarHBondContact O-N 3.42Å; K990-P993 WeakPolarHBondContact O-CD 3.32Å; K990-I994 HydrophobicContact CD-CD1 4.48Å; K990-I994 HydrophobicContact CG-CD1 3.66Å; K990-I994 VanDerWaalsContact O-CG1 3.24Å; K990-I994 WeakPolarHBondContact O-CG1 3.43Å; K990-I994 PolarHBondContact O-N 3.1Å; K990-S1036 WeakPolarHBondContact CE-O 3.23Å; K990-S1036 PolarHBondContact NZ-O 3.44Å; K990-E1041 IonicContact NZ-OE1 3.79Å; K990-E1041 PolarHBondContact NZ-OE1 3.44Å; K990-E1041 IonicContact NZ-OE2 3.6Å; K990-E1041 PolarHBondContact NZ-OE2 3.27Å; K990-E1041 VanDerWaalsContact NZ-OE2 3.1Å
991L88.1Confident84.2Confident3 Ų339.3 Ų39.32%0.01620%0.198CC..Iπ-helixtrans-74.4-41.8-164.2-55.2-176.5000114L986 Y987 I994 M995 L1037 H1045 L1048L986-L991 HydrophobicContact CD2-CD1 3.53Å; L986-L991 HydrophobicContact CD2-CD2 4.21Å; L986-L991 HydrophobicContact CD2-CG 3.73Å; L986-L991 PolarHBondContact O-N 3.28Å; L986-L991 VanDerWaalsContact O-N 3.16Å; Y987-L991 HydrophobicContact CD2-CB 4.08Å; Y987-L991 HydrophobicContact CD2-CD1 4.09Å; Y987-L991 PolarHBondContact O-N 3.1Å; L991-I994 PolarHBondContact O-N 3.3Å; L991-M995 VanDerWaalsContact O-CB 3.29Å; L991-M995 WeakPolarHBondContact O-CB 3.5Å; L991-M995 PolarHBondContact O-N 2.91Å; L991-L1037 HydrophobicContact CD2-CD2 3.89Å; L991-H1045 WeakPolarHBondContact CD1-CD2 3.49Å; L991-L1048 HydrophobicContact CB-CD2 4.48Å; L991-L1048 HydrophobicContact CD1-CD2 4.27Å; L991-L1048 HydrophobicContact CD2-CD2 3.87Å; L991-L1048 HydrophobicContact CG-CD2 4.44Å
992K88.8Confident85.5Confident15 Ų1540.1 Ų40.17%0.06520%0.201CC..Hα-helixtrans-60.6-46178.2-77.9179.3-163.5166.30112.9I537 Y926 V930 Y987 E988 S996I537-K992 VanDerWaalsContact CD1-NZ 3.34Å; Y926-K992 HydrophobicContact CD2-CD 4.46Å; V930-K992 HydrophobicContact CG2-CB 4.31Å; Y987-K992 HydrophobicContact CD1-CD 4.48Å; Y987-K992 HydrophobicContact CD1-CG 4.33Å; Y987-K992 HydrophobicContact CE1-CD 4.16Å; Y987-K992 HydrophobicContact CE1-CG 3.96Å; Y987-K992 HydrophobicContact CE2-CG 4.5Å; Y987-K992 WeakPolarHBondContact O-CG 3.46Å; Y987-K992 PolarHBondContact O-N 2.91Å; E988-K992 IonicContact OE1-NZ 2.73Å; E988-K992 PolarHBondContact OE1-NZ 3.47Å; K992-S996 PolarHBondContact O-N 3.17Å; K992-S996 VanDerWaalsContact O-N 3.09Å; K992-S996 PolarHBondContact O-OG 2.85Å
993P90.1Very high86.6Confident0 Ų037.2 Ų37.20%018%0.18CC..Hα-helixtrans-64.7-41.6173.7-24.835000113.5V930 F970 L974 E988 K990 S996 S997V930-P993 HydrophobicContact CG2-CG 4.49Å; F970-P993 HydrophobicContact CE1-CB 4.39Å; F970-P993 HydrophobicContact CZ-CB 4.02Å; L974-P993 HydrophobicContact CD1-CB 4.41Å; L974-P993 HydrophobicContact CD2-CB 4.01Å; E988-P993 WeakPolarHBondContact O-CD 3.45Å; K990-P993 WeakPolarHBondContact O-CD 3.32Å; P993-S996 PolarHBondContact O-N 2.9Å; P993-S997 WeakPolarHBondContact O-CB 3.5Å; P993-S997 PolarHBondContact O-N 3.31Å; P993-S997 PolarHBondContact O-OG 3.04Å
994I91.5Very high87.7Confident1 Ų128.2 Ų28.21%0.00514%0.142CC..Hα-helixtrans-60.5-50.6175.9-67.7172.9000110L974 K990 L991 S996 S997 L998 L1033 L1037 L1048L974-I994 HydrophobicContact CD2-CG1 3.62Å; K990-I994 HydrophobicContact CD-CD1 4.48Å; K990-I994 HydrophobicContact CG-CD1 3.66Å; K990-I994 VanDerWaalsContact O-CG1 3.24Å; K990-I994 WeakPolarHBondContact O-CG1 3.43Å; K990-I994 PolarHBondContact O-N 3.1Å; L991-I994 PolarHBondContact O-N 3.3Å; I994-S996 VanDerWaalsContact C-N 3.28Å; I994-S996 PolarHBondContact O-N 3.01Å; I994-S997 CarbonylContact O-C 3.5Å; I994-S997 WeakPolarHBondContact O-CA 3.5Å; I994-S997 WeakPolarHBondContact O-CB 3.45Å; I994-S997 PolarHBondContact O-N 2.88Å; I994-L998 HydrophobicContact CG2-CD1 3.78Å; I994-L998 HydrophobicContact CG2-CG 3.94Å; I994-L998 WeakPolarHBondContact O-CG 3.48Å; I994-L998 PolarHBondContact O-N 3.23Å; I994-L1033 HydrophobicContact CG1-CD2 4.31Å; I994-L1037 HydrophobicContact CD1-CD2 4.01Å; I994-L1037 HydrophobicContact CG2-CD1 4.14Å; I994-L1037 HydrophobicContact CG2-CD2 4.17Å; I994-L1037 HydrophobicContact CG2-CG 4.41Å; I994-L1048 HydrophobicContact CG2-CD1 4.49Å
995M92.6Very high88.6Confident25 Ų2520.2 Ų20.212%0.12310%0.099CC..Hα-helixtrans-55.5-42.9178.1-173.7178.460.500112.2L991 S997 N999 K1047 L1048 C1051L991-M995 VanDerWaalsContact O-CB 3.29Å; L991-M995 WeakPolarHBondContact O-CB 3.5Å; L991-M995 PolarHBondContact O-N 2.91Å; M995-S997 VanDerWaalsContact C-N 3.34Å; M995-N999 PolarHBondContact O-N 3.07Å; M995-N999 VanDerWaalsContact O-N 3.1Å; M995-K1047 HydrophobicContact SD-CB 4.05Å; M995-L1048 HydrophobicContact CB-CD1 4.01Å; M995-C1051 HydrophobicContact CG-CB 4.14Å; M995-C1051 VanDerWaalsContact CG-SG 3.55Å
996S92.1Very high89.2Confident8 Ų821.2 Ų21.26%0.05611%0.106CC..Hα-helixtrans-67.3-35.8177.3-55.40000112.1K992 P993 I994 L1000K992-S996 PolarHBondContact O-N 3.17Å; K992-S996 VanDerWaalsContact O-N 3.09Å; K992-S996 PolarHBondContact O-OG 2.85Å; P993-S996 PolarHBondContact O-N 2.9Å; I994-S996 VanDerWaalsContact C-N 3.28Å; I994-S996 PolarHBondContact O-N 3.01Å; S996-L1000 WeakPolarHBondContact O-CB 3.46Å; S996-L1000 PolarHBondContact O-N 3.03Å
997S94Very high89.2Confident0 Ų019.6 Ų19.60%010%0.1CC..Hα-helixtrans-70.8-43.9177.1-54.20000111.7P993 I994 M995 N999 L1000 L1001P993-S997 WeakPolarHBondContact O-CB 3.5Å; P993-S997 PolarHBondContact O-N 3.31Å; P993-S997 PolarHBondContact O-OG 3.04Å; I994-S997 CarbonylContact O-C 3.5Å; I994-S997 WeakPolarHBondContact O-CA 3.5Å; I994-S997 WeakPolarHBondContact O-CB 3.45Å; I994-S997 PolarHBondContact O-N 2.88Å; M995-S997 VanDerWaalsContact C-N 3.34Å; S997-N999 VanDerWaalsContact C-N 3.32Å; S997-N999 PolarHBondContact O-N 3.44Å; S997-L1000 WeakPolarHBondContact O-CB 3.42Å; S997-L1000 PolarHBondContact O-N 3.43Å; S997-L1001 WeakPolarHBondContact O-CB 3.36Å; S997-L1001 VanDerWaalsContact O-CG 3.28Å; S997-L1001 WeakPolarHBondContact O-CG 3.45Å; S997-L1001 PolarHBondContact O-N 2.87Å
998L94.8Very high89.1Confident0 Ų023.2 Ų23.20%012%0.124CC..Hα-helixtrans-60.4-41.9175.8-66.4177.3000111.4I994 L1001 K1002 L1033 L1034 L1037 L1048 C1051 H1052 L1055I994-L998 HydrophobicContact CG2-CD1 3.78Å; I994-L998 HydrophobicContact CG2-CG 3.94Å; I994-L998 WeakPolarHBondContact O-CG 3.48Å; I994-L998 PolarHBondContact O-N 3.23Å; L998-L1001 HydrophobicContact CD2-CD1 4.49Å; L998-L1001 WeakPolarHBondContact O-CB 3.29Å; L998-L1001 PolarHBondContact O-N 3.04Å; L998-K1002 PolarHBondContact O-N 3.43Å; L998-L1033 HydrophobicContact CD2-CB 4.11Å; L998-L1034 HydrophobicContact CD1-CD2 4.44Å; L998-L1034 HydrophobicContact CD2-CD2 3.81Å; L998-L1034 HydrophobicContact CD2-CG 4.23Å; L998-L1037 HydrophobicContact CD1-CD1 4.07Å; L998-L1048 HydrophobicContact CD1-CD1 4.37Å; L998-C1051 HydrophobicContact CB-CB 4.2Å; L998-C1051 HydrophobicContact CD1-CB 4.45Å; L998-H1052 HydrophobicContact CD1-CB 4.44Å; L998-L1055 HydrophobicContact CB-CD2 4.48Å; L998-L1055 HydrophobicContact CD2-CD2 3.56Å
999N93.2Very high89Confident35 Ų3521.2 Ų21.219%0.18712%0.115CC..Hα-helixtrans-67.8-38.8175.6-171.953.3000112.5M995 S997 L1001 K1002 I1003M995-N999 PolarHBondContact O-N 3.07Å; M995-N999 VanDerWaalsContact O-N 3.1Å; S997-N999 VanDerWaalsContact C-N 3.32Å; S997-N999 PolarHBondContact O-N 3.44Å; N999-L1001 VanDerWaalsContact C-N 3.32Å; N999-K1002 PolarHBondContact O-N 2.96Å; N999-I1003 PolarHBondContact O-N 3.37Å; N999-I1003 VanDerWaalsContact O-N 3.09Å
1000L95.1Very high89Confident0 Ų019.9 Ų19.90%011%0.108CC..Hα-helixtrans-60.8-43.3172.5177.459.8000111.2L933 I936 T937 I940 V963 L967 S996 S997 I1003 C1004L933-L1000 HydrophobicContact CD2-CD2 3.95Å; I936-L1000 HydrophobicContact CB-CD1 4.44Å; I936-L1000 HydrophobicContact CB-CD2 4.45Å; I936-L1000 HydrophobicContact CG2-CD1 3.86Å; I936-L1000 HydrophobicContact CG2-CD2 4.05Å; T937-L1000 WeakPolarHBondContact OG1-CB 3.34Å; I940-L1000 HydrophobicContact CD1-CD1 3.41Å; I940-L1000 VanDerWaalsContact CD1-CD1 3.41Å; I940-L1000 HydrophobicContact CG1-CD1 3.9Å; V963-L1000 HydrophobicContact CG1-CD1 4.41Å; V963-L1000 HydrophobicContact CG1-CD2 4.26Å; V963-L1000 HydrophobicContact CG1-CG 4.22Å; L967-L1000 HydrophobicContact CD1-CD2 3.86Å; L967-L1000 HydrophobicContact CD1-CG 4Å; L967-L1000 HydrophobicContact CD2-CD2 4.01Å; L967-L1000 HydrophobicContact CG-CD2 4.01Å; S996-L1000 WeakPolarHBondContact O-CB 3.46Å; S996-L1000 PolarHBondContact O-N 3.03Å; S997-L1000 WeakPolarHBondContact O-CB 3.42Å; S997-L1000 PolarHBondContact O-N 3.43Å; L1000-I1003 PolarHBondContact O-N 3.15Å; L1000-C1004 VanDerWaalsContact O-CB 3.23Å; L1000-C1004 WeakPolarHBondContact O-CB 3.27Å; L1000-C1004 PolarHBondContact O-N 3.5Å
1001L94.2Very high88.8Confident0 Ų024.8 Ų24.80%014%0.136CC..Hα-helixtrans-61.7-46.9176.2-75168.1000111.8L967 S997 L998 N999 I1003 C1004 L1005 L1026 S1030 L1033 L1055L967-L1001 HydrophobicContact CD1-CD2 3.45Å; L967-L1001 VanDerWaalsContact CD1-CD2 3.45Å; L967-L1001 HydrophobicContact CD1-CG 3.71Å; S997-L1001 WeakPolarHBondContact O-CB 3.36Å; S997-L1001 VanDerWaalsContact O-CG 3.28Å; S997-L1001 WeakPolarHBondContact O-CG 3.45Å; S997-L1001 PolarHBondContact O-N 2.87Å; L998-L1001 HydrophobicContact CD2-CD1 4.49Å; L998-L1001 WeakPolarHBondContact O-CB 3.29Å; L998-L1001 PolarHBondContact O-N 3.04Å; N999-L1001 VanDerWaalsContact C-N 3.32Å; L1001-I1003 PolarHBondContact O-N 3.2Å; L1001-C1004 PolarHBondContact O-N 3.38Å; L1001-L1005 WeakPolarHBondContact O-CG 3.37Å; L1001-L1005 PolarHBondContact O-N 2.96Å; L1001-L1026 HydrophobicContact CD2-CD1 3.48Å; L1001-L1026 VanDerWaalsContact CD2-CD1 3.48Å; L1001-L1026 HydrophobicContact CD2-CD2 4.2Å; L1001-L1026 HydrophobicContact CD2-CG 3.66Å; L1001-S1030 WeakPolarHBondContact CD1-OG 3.47Å; L1001-S1030 VanDerWaalsContact CD2-OG 3.27Å; L1001-S1030 WeakPolarHBondContact CD2-OG 3.28Å; L1001-L1033 HydrophobicContact CD1-CD1 3.92Å; L1001-L1055 HydrophobicContact CB-CD1 3.84Å; L1001-L1055 HydrophobicContact CB-CD2 3.91Å; L1001-L1055 HydrophobicContact CD1-CD2 4.01Å
1002K93.6Very high88.6Confident48 Ų4826.1 Ų26.121%0.20914%0.141CC..Hα-helixtrans-54.4-54.5177.3-178-166.9176.4-164.10110D530 L998 N999 C1004 L1005 S1006 L1055D530-K1002 IonicContact OD2-NZ 3.72Å; D530-K1002 PolarHBondContact OD2-NZ 2.97Å; L998-K1002 PolarHBondContact O-N 3.43Å; N999-K1002 PolarHBondContact O-N 2.96Å; K1002-C1004 VanDerWaalsContact C-N 3.31Å; K1002-C1004 PolarHBondContact O-N 3.49Å; K1002-L1005 PolarHBondContact O-N 3.1Å; K1002-S1006 WeakPolarHBondContact O-CB 3.34Å; K1002-S1006 PolarHBondContact O-N 3.26Å; K1002-S1006 PolarHBondContact O-OG 3.16Å; K1002-L1055 HydrophobicContact CB-CD1 4.3Å
1003I90.8Very high88Confident20 Ų2026.1 Ų26.110%0.10315%0.145CC..Hα-helixtrans-66.1-33.1-178.5-68.3166.3000111.7T937 I940 N941 N999 L1000 L1001 G1007T937-I1003 HydrophobicContact CG2-CD1 3.28Å; T937-I1003 HydrophobicContact CG2-CG1 4.42Å; I940-I1003 HydrophobicContact CD1-CB 4.37Å; I940-I1003 HydrophobicContact CD1-CG2 4Å; I940-I1003 HydrophobicContact CG1-CG2 3.9Å; N941-I1003 HydrophobicContact CB-CG2 4.11Å; N999-I1003 PolarHBondContact O-N 3.37Å; N999-I1003 VanDerWaalsContact O-N 3.09Å; L1000-I1003 PolarHBondContact O-N 3.15Å; L1001-I1003 PolarHBondContact O-N 3.2Å; I1003-G1007 VanDerWaalsContact O-CA 3.28Å; I1003-G1007 WeakPolarHBondContact O-CA 3.34Å; I1003-G1007 PolarHBondContact O-N 3.09Å
1004C90.3Very high87.5Confident1 Ų128.2 Ų28.21%0.00716%0.158CC..Hα-helixtrans-66.3-39.5177-169.60000112.4I940 F960 V963 L1000 L1001 K1002I940-C1004 HydrophobicContact CD1-CB 3.6Å; F960-C1004 VanDerWaalsContact CD2-SG 3.53Å; V963-C1004 HydrophobicContact CG1-CB 4.43Å; L1000-C1004 VanDerWaalsContact O-CB 3.23Å; L1000-C1004 WeakPolarHBondContact O-CB 3.27Å; L1000-C1004 PolarHBondContact O-N 3.5Å; L1001-C1004 PolarHBondContact O-N 3.38Å; K1002-C1004 VanDerWaalsContact C-N 3.31Å; K1002-C1004 PolarHBondContact O-N 3.49Å
1005L88.6Confident87.1Confident2 Ų228.5 Ų28.51%0.0116%0.159CC..Hα-helixtrans-81.3-34.4179.4-63.6174.5000112.6F960 L1001 K1002 F1012 L1023 L1026 M1027 L1055 H1058 M1059F960-L1005 HydrophobicContact CE2-CD2 4.46Å; L1001-L1005 WeakPolarHBondContact O-CG 3.37Å; L1001-L1005 PolarHBondContact O-N 2.96Å; K1002-L1005 PolarHBondContact O-N 3.1Å; L1005-F1012 HydrophobicContact CD2-CZ 4.38Å; L1005-L1023 HydrophobicContact CD2-CD1 4.14Å; L1005-L1026 HydrophobicContact CD2-CD2 3.93Å; L1005-L1026 HydrophobicContact CG-CD2 4.44Å; L1005-M1027 HydrophobicContact CD1-SD 3.78Å; L1005-M1027 HydrophobicContact CD2-SD 3.94Å; L1005-L1055 HydrophobicContact CD1-CD1 3.98Å; L1005-H1058 WeakPolarHBondContact CB-CD2 3.5Å; L1005-H1058 WeakPolarHBondContact CB-NE2 3.3Å; L1005-H1058 PolarHBondContact O-NE2 2.99Å; L1005-M1059 HydrophobicContact CD1-CG 4.11Å
1006S86.3Confident86.3Confident45 Ų4530 Ų3032%0.31517%0.172SC..Hα-helixtrans-94.7-16.4-176.373.30000114.7K1002 N1008 H1058K1002-S1006 WeakPolarHBondContact O-CB 3.34Å; K1002-S1006 PolarHBondContact O-N 3.26Å; K1002-S1006 PolarHBondContact O-OG 3.16Å; S1006-N1008 PolarHBondContact O-N 2.8Å; S1006-H1058 VanDerWaalsContact CA-CE1 3.41Å; S1006-H1058 WeakPolarHBondContact CA-CE1 3.34Å; S1006-H1058 WeakPolarHBondContact CB-ND1 2.99Å; S1006-H1058 PolarHBondContact N-NE2 3.17Å
1007G80.5Confident85.5Confident12 Ų1235.8 Ų35.812%0.12420%0.2CC..SBendtrans-712.8-172.900000115.9N942 I1003 L1009N942-G1007 WeakPolarHBondContact CB-O 3.28Å; N942-G1007 PolarHBondContact ND2-O 3.41Å; I1003-G1007 VanDerWaalsContact O-CA 3.28Å; I1003-G1007 WeakPolarHBondContact O-CA 3.34Å; I1003-G1007 PolarHBondContact O-N 3.09Å; G1007-L1009 PolarHBondContact O-N 3.28Å
1008N80Confident84.8Confident134 Ų13442.3 Ų42.372%0.71723%0.228SC*.  trans49.841.8-177.4-68.5-25000113.1S1006 I1010S1006-N1008 PolarHBondContact O-N 2.8Å; N1008-I1010 VanDerWaalsContact C-N 3.32Å; N1008-I1010 PolarHBondContact O-N 3.18Å
1009L79.7Confident84Confident14 Ų1450.4 Ų50.47%0.07327%0.266CS..  trans-63.2-38.2-178.2-67.4173.1000112.6I940 L947 G1007I940-L1009 HydrophobicContact CB-CD1 4.3Å; I940-L1009 HydrophobicContact CB-CD2 4.49Å; L947-L1009 HydrophobicContact CD1-CD2 3.41Å; L947-L1009 VanDerWaalsContact CD1-CD2 3.41Å; G1007-L1009 PolarHBondContact O-N 3.28Å
1010I79.4Confident83.6Confident33 Ų3350.3 Ų50.317%0.16927%0.265CS..SBendtrans-157.5156.1-17549.4-173.2000110F960 N1008 F1012 F1015F960-I1010 HydrophobicContact CB-CD1 3.57Å; F960-I1010 HydrophobicContact CD1-CD1 4.39Å; F960-I1010 HydrophobicContact CD2-CD1 4.13Å; F960-I1010 HydrophobicContact CG-CD1 3.77Å; N1008-I1010 VanDerWaalsContact C-N 3.32Å; N1008-I1010 PolarHBondContact O-N 3.18Å; I1010-F1012 HydrophobicContact CG1-CD1 4.38Å; I1010-F1012 HydrophobicContact CG1-CE1 4.35Å; I1010-F1012 PolarHBondContact O-N 3.46Å; I1010-F1015 HydrophobicContact CD1-CD2 4.29Å; I1010-F1015 HydrophobicContact CD1-CE1 4.41Å; I1010-F1015 HydrophobicContact CD1-CE2 3.17Å; I1010-F1015 HydrophobicContact CD1-CZ 3.22Å; I1010-F1015 HydrophobicContact CG1-CE2 4.15Å
1011N80.8Confident83.2Confident125 Ų12554 Ų5467%0.66829%0.285SS*.  trans-73.7119.6164.2-173.6-31.5000109.3G1013 V1014N1011-G1013 PolarHBondContact O-N 2.9Å; N1011-G1013 VanDerWaalsContact O-N 3.14Å; N1011-G1013 PolarHBondContact OD1-N 3.37Å; N1011-V1014 VanDerWaalsContact O-CB 3.3Å; N1011-V1014 WeakPolarHBondContact O-CB 3.46Å; N1011-V1014 VanDerWaalsContact O-CG2 3.3Å; N1011-V1014 WeakPolarHBondContact O-CG2 3.44Å; N1011-V1014 PolarHBondContact O-N 3.45Å; N1011-V1014 VanDerWaalsContact O-N 3.14Å
1012F83.6Confident83Confident31 Ų3154.1 Ų54.114%0.13629%0.286CS..THydrogen-bonded Turntrans-62.6-19.6-176.9-66.4-48.5000114.7F960 L1005 I1010 V1014 F1015 L1023 H1063 V1178F960-F1012 HydrophobicContact CD2-CE1 4.08Å; F960-F1012 HydrophobicContact CE2-CD1 4.41Å; F960-F1012 AromaticContact CE2-CE1 3.51Å; F960-F1012 HydrophobicContact CE2-CE1 3.51Å; F960-F1012 HydrophobicContact CE2-CZ 4.26Å; F960-F1012 HydrophobicContact CZ-CE1 4.03Å; L1005-F1012 HydrophobicContact CD2-CZ 4.38Å; I1010-F1012 HydrophobicContact CG1-CD1 4.38Å; I1010-F1012 HydrophobicContact CG1-CE1 4.35Å; I1010-F1012 PolarHBondContact O-N 3.46Å; F1012-V1014 PolarHBondContact O-N 3.5Å; F1012-V1014 VanDerWaalsContact O-N 3.15Å; F1012-F1015 HydrophobicContact CD1-CD2 4.2Å; F1012-F1015 HydrophobicContact CD1-CE2 4.04Å; F1012-F1015 PolarHBondContact O-N 3.01Å; F1012-F1015 VanDerWaalsContact O-N 3.13Å; F1012-L1023 HydrophobicContact CB-CD2 3.85Å; F1012-L1023 HydrophobicContact CD1-CD1 3.96Å; F1012-L1023 HydrophobicContact CD1-CD2 4.07Å; F1012-L1023 HydrophobicContact CE1-CD1 4.08Å; F1012-L1023 HydrophobicContact CG-CD1 4.44Å; F1012-L1023 HydrophobicContact CG-CD2 4.02Å; F1012-H1063 AromaticContact CD2-CE1 3.55Å; F1012-H1063 AromaticContact CD2-NE2 3.84Å; F1012-H1063 AromaticContact CE2-CE1 3.71Å; F1012-H1063 AromaticContact CE2-NE2 3.52Å; F1012-V1178 HydrophobicContact CB-CG1 4.3Å; F1012-V1178 HydrophobicContact CB-CG2 3.77Å
1013G77.2Confident82.9Confident14 Ų1452.1 Ų52.114%0.14428%0.277CS..Hα-helixtrans-59.1-25.317400000113.5N1011 F1015 S1016 M1017N1011-G1013 PolarHBondContact O-N 2.9Å; N1011-G1013 VanDerWaalsContact O-N 3.14Å; N1011-G1013 PolarHBondContact OD1-N 3.37Å; G1013-F1015 VanDerWaalsContact C-N 3.26Å; G1013-F1015 PolarHBondContact O-N 3.34Å; G1013-S1016 PolarHBondContact O-N 2.84Å; G1013-M1017 PolarHBondContact O-N 3.15Å
1014V79.1Confident82.9Confident45 Ų4554 Ų5427%0.27329%0.286SS..Hα-helixtrans-61-32.7177.2175.40000112.1Y957 N1011 F1012 M1017 F1018Y957-V1014 HydrophobicContact CD2-CG1 4.16Å; Y957-V1014 HydrophobicContact CE2-CG1 4.47Å; N1011-V1014 VanDerWaalsContact O-CB 3.3Å; N1011-V1014 WeakPolarHBondContact O-CB 3.46Å; N1011-V1014 VanDerWaalsContact O-CG2 3.3Å; N1011-V1014 WeakPolarHBondContact O-CG2 3.44Å; N1011-V1014 PolarHBondContact O-N 3.45Å; N1011-V1014 VanDerWaalsContact O-N 3.14Å; F1012-V1014 PolarHBondContact O-N 3.5Å; F1012-V1014 VanDerWaalsContact O-N 3.15Å; V1014-M1017 PolarHBondContact O-N 3.43Å; V1014-F1018 HydrophobicContact CG1-CD2 3.38Å; V1014-F1018 HydrophobicContact CG1-CE2 3.39Å; V1014-F1018 VanDerWaalsContact O-CD2 3.26Å; V1014-F1018 WeakPolarHBondContact O-CD2 3.37Å; V1014-F1018 PolarHBondContact O-N 3.31Å
1015F83.3Confident83Confident7 Ų760.1 Ų60.13%0.03131%0.309CS..Hα-helixtrans-67.7-37.9177.6-73.3-64.6000113Y957 F960 I1010 F1012 G1013 M1017 F1018 H1019 N1020 L1023Y957-F1015 HydrophobicContact CD2-CD1 4.39Å; Y957-F1015 AromaticContact CD2-CE1 3.79Å; Y957-F1015 HydrophobicContact CD2-CE1 3.79Å; Y957-F1015 HydrophobicContact CD2-CZ 4.18Å; Y957-F1015 AromaticContact CE2-CD1 3.87Å; Y957-F1015 HydrophobicContact CE2-CD1 3.87Å; Y957-F1015 AromaticContact CE2-CE1 3.55Å; Y957-F1015 HydrophobicContact CE2-CE1 3.55Å; Y957-F1015 HydrophobicContact CE2-CZ 4.39Å; F960-F1015 HydrophobicContact CB-CZ 4.07Å; F960-F1015 HydrophobicContact CD1-CE1 4.03Å; F960-F1015 AromaticContact CD1-CE2 3.59Å; F960-F1015 HydrophobicContact CD1-CE2 3.59Å; F960-F1015 AromaticContact CD1-CZ 3.13Å; F960-F1015 HydrophobicContact CD1-CZ 3.13Å; F960-F1015 HydrophobicContact CE1-CE1 4.48Å; F960-F1015 AromaticContact CE1-CE2 3.7Å; F960-F1015 HydrophobicContact CE1-CE2 3.7Å; F960-F1015 AromaticContact CE1-CZ 3.66Å; F960-F1015 HydrophobicContact CE1-CZ 3.66Å; F960-F1015 HydrophobicContact CG-CE2 4.03Å; F960-F1015 AromaticContact CG-CZ 3.69Å; F960-F1015 HydrophobicContact CG-CZ 3.69Å; F960-F1015 HydrophobicContact CZ-CE2 4.25Å; I1010-F1015 HydrophobicContact CD1-CD2 4.29Å; I1010-F1015 HydrophobicContact CD1-CE1 4.41Å; I1010-F1015 HydrophobicContact CD1-CE2 3.17Å; I1010-F1015 HydrophobicContact CD1-CZ 3.22Å; I1010-F1015 HydrophobicContact CG1-CE2 4.15Å; F1012-F1015 HydrophobicContact CD1-CD2 4.2Å; F1012-F1015 HydrophobicContact CD1-CE2 4.04Å; F1012-F1015 PolarHBondContact O-N 3.01Å; F1012-F1015 VanDerWaalsContact O-N 3.13Å; G1013-F1015 VanDerWaalsContact C-N 3.26Å; G1013-F1015 PolarHBondContact O-N 3.34Å; F1015-M1017 VanDerWaalsContact C-N 3.34Å; F1015-F1018 PolarHBondContact O-N 2.92Å; F1015-H1019 PolarHBondContact O-N 3.04Å; F1015-H1019 VanDerWaalsContact O-N 3.16Å; F1015-N1020 WeakPolarHBondContact CB-O 3.24Å; F1015-N1020 HydrophobicContact CD1-CB 4.06Å; F1015-N1020 PolarHBondContact O-N 2.86Å; F1015-L1023 HydrophobicContact CD2-CB 3.89Å; F1015-L1023 HydrophobicContact CD2-CD2 4.44Å; F1015-L1023 HydrophobicContact CE2-CB 4.33Å; F1015-L1023 HydrophobicContact CG-CB 4.24Å
1016S76.3Confident83.2Confident55 Ų5560 Ų6039%0.38531%0.308SS..Hα-helixtrans-65.1-41174-179.80000110.9G1013 H1019G1013-S1016 PolarHBondContact O-N 2.84Å; S1016-H1019 PolarHBondContact O-N 3.4Å
1017M74.2Confident83.5Confident131 Ų13157.9 Ų57.965%0.64529%0.293SS*.Hα-helixtrans-65.5-37.5177.9-70.8-176.9149.100113.7G1013 V1014 F1015G1013-M1017 PolarHBondContact O-N 3.15Å; V1014-M1017 PolarHBondContact O-N 3.43Å; F1015-M1017 VanDerWaalsContact C-N 3.34Å
1018F79.7Confident84.1Confident136 Ų13661 Ų6160%0.59630%0.304SS*.THydrogen-bonded Turntrans-90.76.4179.2-72.6-62.6000114.2Y957 V1014 F1015 N1020Y957-F1018 HydrophobicContact CE2-CD2 4.18Å; V1014-F1018 HydrophobicContact CG1-CD2 3.38Å; V1014-F1018 HydrophobicContact CG1-CE2 3.39Å; V1014-F1018 VanDerWaalsContact O-CD2 3.26Å; V1014-F1018 WeakPolarHBondContact O-CD2 3.37Å; V1014-F1018 PolarHBondContact O-N 3.31Å; F1015-F1018 PolarHBondContact O-N 2.92Å; F1018-N1020 PolarHBondContact O-N 2.9Å
1019H79.1Confident84.8Confident171 Ų17154.8 Ų54.879%0.79227%0.271SS*.THydrogen-bonded Turntrans49.444.4-175.2-58.1-69.7000112.5F1015 S1016F1015-H1019 PolarHBondContact O-N 3.04Å; F1015-H1019 VanDerWaalsContact O-N 3.16Å; S1016-H1019 PolarHBondContact O-N 3.4Å
1020N83.6Confident85.4Confident32 Ų3254.1 Ų54.117%0.17127%0.268CS..  trans-113.5114-179178.1-5.5000110.9Y957 F1015 F1018 S1022Y957-N1020 PolarHBondContact OH-ND2 3.39Å; F1015-N1020 WeakPolarHBondContact CB-O 3.24Å; F1015-N1020 HydrophobicContact CD1-CB 4.06Å; F1015-N1020 PolarHBondContact O-N 2.86Å; F1018-N1020 PolarHBondContact O-N 2.9Å; N1020-S1022 PolarHBondContact ND2-OG 3.26Å; N1020-S1022 PolarHBondContact O-N 3.43Å; N1020-S1022 VanDerWaalsContact O-N 3.09Å; N1020-S1022 VanDerWaalsContact OD1-CB 3.25Å; N1020-S1022 WeakPolarHBondContact OD1-CB 3.27Å; N1020-S1022 PolarHBondContact OD1-N 3.15Å; N1020-S1022 PolarHBondContact OD1-OG 3.13Å
1021D88.1Confident86.1Confident78 Ų7852.9 Ų52.942%0.41726%0.261SS..THydrogen-bonded Turntrans-7812.3-176.3-42.9-29000113.9L1023 E1024 R1025D1021-L1023 VanDerWaalsContact C-N 3.27Å; D1021-L1023 PolarHBondContact O-N 2.89Å; D1021-E1024 HydrophobicContact CB-CB 4.49Å; D1021-E1024 PolarHBondContact O-N 3.49Å; D1021-E1024 VanDerWaalsContact O-N 3.12Å; D1021-R1025 WeakPolarHBondContact O-CG 3.38Å; D1021-R1025 PolarHBondContact O-N 3.23Å
1022S90Very high86.7Confident2 Ų250.8 Ų50.81%0.01425%0.248CC..Hα-helixtrans-58.2-37.6-176.4-680000112.7S964 N1020 L1026S964-S1022 WeakPolarHBondContact CB-O 3.44Å; S964-S1022 PolarHBondContact OG-O 3.41Å; N1020-S1022 PolarHBondContact ND2-OG 3.26Å; N1020-S1022 PolarHBondContact O-N 3.43Å; N1020-S1022 VanDerWaalsContact O-N 3.09Å; N1020-S1022 VanDerWaalsContact OD1-CB 3.25Å; N1020-S1022 WeakPolarHBondContact OD1-CB 3.27Å; N1020-S1022 PolarHBondContact OD1-N 3.15Å; N1020-S1022 PolarHBondContact OD1-OG 3.13Å; S1022-L1026 WeakPolarHBondContact O-CB 3.16Å; S1022-L1026 PolarHBondContact O-N 3.08Å; S1022-L1026 VanDerWaalsContact O-N 3.11Å
1023L90.5Very high87.2Confident6 Ų649.4 Ų49.43%0.03124%0.241CC..Hα-helixtrans-66.7-46.1175.3175.663.9000111.2F960 L1005 F1012 F1015 D1021 L1026 M1027 V1178 W1179F960-L1023 HydrophobicContact CE1-CB 4.15Å; F960-L1023 HydrophobicContact CE1-CD1 4.37Å; F960-L1023 HydrophobicContact CE2-CD1 4.43Å; F960-L1023 HydrophobicContact CZ-CB 4.25Å; F960-L1023 HydrophobicContact CZ-CD1 3.62Å; L1005-L1023 HydrophobicContact CD2-CD1 4.14Å; F1012-L1023 HydrophobicContact CB-CD2 3.85Å; F1012-L1023 HydrophobicContact CD1-CD1 3.96Å; F1012-L1023 HydrophobicContact CD1-CD2 4.07Å; F1012-L1023 HydrophobicContact CE1-CD1 4.08Å; F1012-L1023 HydrophobicContact CG-CD1 4.44Å; F1012-L1023 HydrophobicContact CG-CD2 4.02Å; F1015-L1023 HydrophobicContact CD2-CB 3.89Å; F1015-L1023 HydrophobicContact CD2-CD2 4.44Å; F1015-L1023 HydrophobicContact CE2-CB 4.33Å; F1015-L1023 HydrophobicContact CG-CB 4.24Å; D1021-L1023 VanDerWaalsContact C-N 3.27Å; D1021-L1023 PolarHBondContact O-N 2.89Å; L1023-L1026 PolarHBondContact O-N 3.21Å; L1023-M1027 HydrophobicContact CD1-CG 4.15Å; L1023-M1027 HydrophobicContact CG-CG 4.47Å; L1023-M1027 WeakPolarHBondContact O-CB 3.48Å; L1023-M1027 WeakPolarHBondContact O-CG 3.39Å; L1023-M1027 PolarHBondContact O-N 3.28Å; L1023-V1178 HydrophobicContact CD2-CG1 3.72Å; L1023-W1179 HydrophobicContact CD1-CZ2 4.46Å; L1023-W1179 HydrophobicContact CD2-CH2 4.12Å; L1023-W1179 HydrophobicContact CD2-CZ2 3.69Å; L1023-W1179 HydrophobicContact CG-CH2 3.91Å; L1023-W1179 HydrophobicContact CG-CZ2 3.71Å
1024E90.4Very high88Confident60 Ų6048.7 Ų48.728%0.2824%0.235SC..Hα-helixtrans-60.9-48.2179.9-170.6163.8-156.100111.7D1021 L1026 M1027 E1028 F1066 W1179 R1182D1021-E1024 HydrophobicContact CB-CB 4.49Å; D1021-E1024 PolarHBondContact O-N 3.49Å; D1021-E1024 VanDerWaalsContact O-N 3.12Å; E1024-L1026 VanDerWaalsContact C-N 3.33Å; E1024-L1026 PolarHBondContact O-N 3.45Å; E1024-M1027 PolarHBondContact O-N 2.73Å; E1024-M1027 VanDerWaalsContact O-N 3.17Å; E1024-E1028 WeakPolarHBondContact O-CG 3.3Å; E1024-E1028 PolarHBondContact O-N 2.96Å; E1024-F1066 HydrophobicContact CG-CE2 4.25Å; E1024-W1179 HydrophobicContact CB-CH2 4.09Å; E1024-W1179 HydrophobicContact CB-CZ3 4.09Å; E1024-W1179 HydrophobicContact CG-CH2 4.47Å; E1024-W1179 HydrophobicContact CG-CZ3 4.14Å; E1024-R1182 IonicContact OE1-CZ 2.74Å; E1024-R1182 VanDerWaalsContact OE1-CZ 3.27Å; E1024-R1182 IonicContact OE1-NE 3.33Å; E1024-R1182 PolarHBondContact OE1-NE 3.17Å; E1024-R1182 IonicContact OE1-NH2 2.66Å; E1024-R1182 PolarHBondContact OE1-NH2 3.44Å
1025R92.1Very high88.6Confident130 Ų13049.5 Ų49.549%0.49124%0.237SC..Hα-helixtrans-61.7-38.6175.6-67.9-177.8-177.4157.27113.2C968 D1021 M1027 E1028 I1029C968-R1025 PolarHBondContact SG-O 2.92Å; D1021-R1025 WeakPolarHBondContact O-CG 3.38Å; D1021-R1025 PolarHBondContact O-N 3.23Å; R1025-M1027 VanDerWaalsContact C-N 3.34Å; R1025-E1028 PolarHBondContact O-N 3.25Å; R1025-I1029 WeakPolarHBondContact O-CG2 3.27Å; R1025-I1029 PolarHBondContact O-N 3.23Å
1026L93.2Very high88.9Confident0 Ų050.3 Ų50.30%024%0.244CC..Hα-helixtrans-64.4-41.7176.5-170.780.8000110.7F960 L967 L1001 L1005 S1022 L1023 E1024 I1029 S1030F960-L1026 HydrophobicContact CE1-CD2 4.16Å; F960-L1026 HydrophobicContact CE2-CD2 3.8Å; F960-L1026 HydrophobicContact CZ-CB 4.46Å; F960-L1026 HydrophobicContact CZ-CD2 3.43Å; F960-L1026 VanDerWaalsContact CZ-CD2 3.43Å; L967-L1026 HydrophobicContact CB-CD1 4.33Å; L967-L1026 HydrophobicContact CD1-CD1 4.03Å; L1001-L1026 HydrophobicContact CD2-CD1 3.48Å; L1001-L1026 VanDerWaalsContact CD2-CD1 3.48Å; L1001-L1026 HydrophobicContact CD2-CD2 4.2Å; L1001-L1026 HydrophobicContact CD2-CG 3.66Å; L1005-L1026 HydrophobicContact CD2-CD2 3.93Å; L1005-L1026 HydrophobicContact CG-CD2 4.44Å; S1022-L1026 WeakPolarHBondContact O-CB 3.16Å; S1022-L1026 PolarHBondContact O-N 3.08Å; S1022-L1026 VanDerWaalsContact O-N 3.11Å; L1023-L1026 PolarHBondContact O-N 3.21Å; E1024-L1026 VanDerWaalsContact C-N 3.33Å; E1024-L1026 PolarHBondContact O-N 3.45Å; L1026-I1029 WeakPolarHBondContact O-CG2 3.41Å; L1026-S1030 WeakPolarHBondContact O-CB 3.31Å; L1026-S1030 PolarHBondContact O-N 3.13Å; L1026-S1030 PolarHBondContact O-OG 2.75Å
1027M92.1Very high89.6Confident0 Ų047.9 Ų47.90%023%0.226CC..Hα-helixtrans-68.3-40178.1-68.9-67.9-70.600111.8L1005 L1023 E1024 R1025 S1030 I1031 M1059 H1063 F1066 W1179L1005-M1027 HydrophobicContact CD1-SD 3.78Å; L1005-M1027 HydrophobicContact CD2-SD 3.94Å; L1023-M1027 HydrophobicContact CD1-CG 4.15Å; L1023-M1027 HydrophobicContact CG-CG 4.47Å; L1023-M1027 WeakPolarHBondContact O-CB 3.48Å; L1023-M1027 WeakPolarHBondContact O-CG 3.39Å; L1023-M1027 PolarHBondContact O-N 3.28Å; E1024-M1027 PolarHBondContact O-N 2.73Å; E1024-M1027 VanDerWaalsContact O-N 3.17Å; R1025-M1027 VanDerWaalsContact C-N 3.34Å; M1027-S1030 WeakPolarHBondContact O-CB 3.27Å; M1027-S1030 PolarHBondContact O-N 3.45Å; M1027-I1031 WeakPolarHBondContact O-CG1 3.27Å; M1027-I1031 PolarHBondContact O-N 3Å; M1027-I1031 VanDerWaalsContact O-N 3.07Å; M1027-M1059 HydrophobicContact CE-CE 3.65Å; M1027-M1059 HydrophobicContact CE-CG 4.21Å; M1027-M1059 HydrophobicContact SD-CE 4.35Å; M1027-H1063 HydrophobicContact CE-CB 3.45Å; M1027-H1063 VanDerWaalsContact CE-CB 3.45Å; M1027-F1066 HydrophobicContact CB-CD1 3.86Å; M1027-F1066 HydrophobicContact CB-CD2 4.32Å; M1027-F1066 HydrophobicContact CB-CE1 3.43Å; M1027-F1066 VanDerWaalsContact CB-CE1 3.43Å; M1027-F1066 HydrophobicContact CB-CE2 3.91Å; M1027-F1066 HydrophobicContact CB-CG 4.29Å; M1027-F1066 HydrophobicContact CB-CZ 3.45Å; M1027-F1066 VanDerWaalsContact CB-CZ 3.45Å; M1027-F1066 HydrophobicContact CE-CB 4.24Å; M1027-F1066 HydrophobicContact CE-CD1 3.59Å; M1027-F1066 HydrophobicContact CE-CE1 4.23Å; M1027-F1066 HydrophobicContact CE-CG 4.04Å; M1027-F1066 HydrophobicContact CG-CD1 4.48Å; M1027-F1066 HydrophobicContact CG-CE1 4.5Å; M1027-W1179 HydrophobicContact CG-CH2 4.28Å; M1027-W1179 HydrophobicContact CG-CZ2 3.99Å
1028E93.5Very high90.2Very high76 Ų7646.1 Ų46.136%0.35522%0.22SC..Hα-helixtrans-61.4-48175.3-72.6175.5172.400112.1E1024 R1025 S1030 I1031 Q1032 F1066 R1182E1024-E1028 WeakPolarHBondContact O-CG 3.3Å; E1024-E1028 PolarHBondContact O-N 2.96Å; R1025-E1028 PolarHBondContact O-N 3.25Å; E1028-S1030 VanDerWaalsContact C-N 3.28Å; E1028-S1030 PolarHBondContact O-N 3.03Å; E1028-I1031 PolarHBondContact O-N 3.12Å; E1028-Q1032 WeakPolarHBondContact O-CG 3.47Å; E1028-Q1032 PolarHBondContact O-N 3.2Å; E1028-F1066 HydrophobicContact CG-CZ 3.91Å; E1028-R1182 IonicContact OE1-NH2 3.27Å
1029I94.4Very high90.3Very high4 Ų442 Ų422%0.02120%0.204CC..Hα-helixtrans-67-32.2177.9-167.260.9000112L972 I975 R1025 L1026 Q1032 L1033L972-I1029 HydrophobicContact CD2-CD1 4.24Å; L972-I1029 HydrophobicContact CG-CD1 4.22Å; I975-I1029 HydrophobicContact CD1-CD1 3.99Å; R1025-I1029 WeakPolarHBondContact O-CG2 3.27Å; R1025-I1029 PolarHBondContact O-N 3.23Å; L1026-I1029 WeakPolarHBondContact O-CG2 3.41Å; I1029-Q1032 HydrophobicContact CD1-CB 4.33Å; I1029-Q1032 PolarHBondContact O-N 3.38Å; I1029-L1033 HydrophobicContact CG1-CD1 4.32Å; I1029-L1033 HydrophobicContact CG1-CG 4.42Å; I1029-L1033 WeakPolarHBondContact O-CB 3.26Å; I1029-L1033 WeakPolarHBondContact O-CG 3.44Å; I1029-L1033 PolarHBondContact O-N 2.83Å
1030S93.5Very high90.4Very high0 Ų038.2 Ų38.20%019%0.193CC..Hα-helixtrans-59.1-47.7173.7-59.70000111.1L1001 L1026 M1027 E1028 L1033 L1034L1001-S1030 WeakPolarHBondContact CD1-OG 3.47Å; L1001-S1030 VanDerWaalsContact CD2-OG 3.27Å; L1001-S1030 WeakPolarHBondContact CD2-OG 3.28Å; L1026-S1030 WeakPolarHBondContact O-CB 3.31Å; L1026-S1030 PolarHBondContact O-N 3.13Å; L1026-S1030 PolarHBondContact O-OG 2.75Å; M1027-S1030 WeakPolarHBondContact O-CB 3.27Å; M1027-S1030 PolarHBondContact O-N 3.45Å; E1028-S1030 VanDerWaalsContact C-N 3.28Å; E1028-S1030 PolarHBondContact O-N 3.03Å; S1030-L1033 PolarHBondContact O-N 3.29Å; S1030-L1034 VanDerWaalsContact O-CG 3.31Å; S1030-L1034 WeakPolarHBondContact O-CG 3.41Å; S1030-L1034 PolarHBondContact O-N 2.62Å
1031I94.1Very high90.4Very high7 Ų737.5 Ų37.54%0.03619%0.188CC..Hα-helixtrans-63.2-46.9176.4-63.5-72000110.8M1027 E1028 L1033 L1034 L1035 M1059 F1066 L1070 I1074 F1078M1027-I1031 WeakPolarHBondContact O-CG1 3.27Å; M1027-I1031 PolarHBondContact O-N 3Å; M1027-I1031 VanDerWaalsContact O-N 3.07Å; E1028-I1031 PolarHBondContact O-N 3.12Å; I1031-L1033 VanDerWaalsContact C-N 3.28Å; I1031-L1033 PolarHBondContact O-N 2.84Å; I1031-L1034 PolarHBondContact O-N 3.17Å; I1031-L1034 VanDerWaalsContact O-N 3.16Å; I1031-L1035 HydrophobicContact CG2-CD1 3.6Å; I1031-L1035 HydrophobicContact CG2-CG 4.01Å; I1031-L1035 WeakPolarHBondContact O-CB 3.39Å; I1031-L1035 VanDerWaalsContact O-CG 3.27Å; I1031-L1035 WeakPolarHBondContact O-CG 3.39Å; I1031-L1035 PolarHBondContact O-N 3.28Å; I1031-M1059 HydrophobicContact CD1-CE 3.36Å; I1031-M1059 HydrophobicContact CG1-CE 3.8Å; I1031-F1066 HydrophobicContact CG1-CE1 4.16Å; I1031-L1070 HydrophobicContact CB-CD1 4.31Å; I1031-L1070 HydrophobicContact CD1-CD1 3.73Å; I1031-L1070 HydrophobicContact CG1-CD1 3.58Å; I1031-L1070 HydrophobicContact CG2-CD1 4.03Å; I1031-I1074 HydrophobicContact CG2-CG2 4.45Å; I1031-F1078 HydrophobicContact CD1-CE2 3.77Å; I1031-F1078 HydrophobicContact CD1-CZ 3.74Å; I1031-F1078 HydrophobicContact CG2-CZ 4.42Å
1032Q93.9Very high90.2Very high82 Ų8233.9 Ų33.938%0.38317%0.169SC..Hα-helixtrans-59.3-39179.4-69.8177.110.300112.4I975 E1028 I1029 S1036I975-Q1032 HydrophobicContact CD1-CB 3.77Å; E1028-Q1032 WeakPolarHBondContact O-CG 3.47Å; E1028-Q1032 PolarHBondContact O-N 3.2Å; I1029-Q1032 HydrophobicContact CD1-CB 4.33Å; I1029-Q1032 PolarHBondContact O-N 3.38Å; Q1032-S1036 WeakPolarHBondContact O-CB 3.46Å; Q1032-S1036 PolarHBondContact O-N 3.39Å; Q1032-S1036 VanDerWaalsContact O-N 3.09Å
1033L93.1Very high89.7Confident1 Ų139.9 Ų39.91%0.00520%0.196CC..Hα-helixtrans-68.1-42175.3-72170.6000112.2I975 I994 L998 L1001 I1029 S1030 I1031 S1036I975-L1033 HydrophobicContact CD1-CD2 3.97Å; I975-L1033 HydrophobicContact CD1-CG 4.32Å; I975-L1033 HydrophobicContact CG1-CD2 4.06Å; I994-L1033 HydrophobicContact CG1-CD2 4.31Å; L998-L1033 HydrophobicContact CD2-CB 4.11Å; L1001-L1033 HydrophobicContact CD1-CD1 3.92Å; I1029-L1033 HydrophobicContact CG1-CD1 4.32Å; I1029-L1033 HydrophobicContact CG1-CG 4.42Å; I1029-L1033 WeakPolarHBondContact O-CB 3.26Å; I1029-L1033 WeakPolarHBondContact O-CG 3.44Å; I1029-L1033 PolarHBondContact O-N 2.83Å; S1030-L1033 PolarHBondContact O-N 3.29Å; I1031-L1033 VanDerWaalsContact C-N 3.28Å; I1031-L1033 PolarHBondContact O-N 2.84Å; L1033-S1036 PolarHBondContact O-N 3.38Å; L1033-S1036 PolarHBondContact O-OG 2.79Å
1034L93.8Very high89.1Confident0 Ų044.8 Ų44.80%022%0.223CC..Hα-helixtrans-61.7-43.3175.5-69.2172000111.5L998 S1030 I1031 S1036 L1037 H1052 L1055 M1059 F1078L998-L1034 HydrophobicContact CD1-CD2 4.44Å; L998-L1034 HydrophobicContact CD2-CD2 3.81Å; L998-L1034 HydrophobicContact CD2-CG 4.23Å; S1030-L1034 VanDerWaalsContact O-CG 3.31Å; S1030-L1034 WeakPolarHBondContact O-CG 3.41Å; S1030-L1034 PolarHBondContact O-N 2.62Å; I1031-L1034 PolarHBondContact O-N 3.17Å; I1031-L1034 VanDerWaalsContact O-N 3.16Å; L1034-S1036 VanDerWaalsContact C-N 3.27Å; L1034-S1036 PolarHBondContact O-N 2.97Å; L1034-L1037 PolarHBondContact O-N 2.87Å; L1034-H1052 HydrophobicContact CD2-CB 4.18Å; L1034-H1052 VanDerWaalsContact CD2-ND1 3.34Å; L1034-H1052 WeakPolarHBondContact CD2-ND1 3.35Å; L1034-H1052 PolarHBondContact O-CE1 3.23Å; L1034-L1055 HydrophobicContact CD1-CD2 4.29Å; L1034-L1055 HydrophobicContact CD2-CD2 4.26Å; L1034-L1055 HydrophobicContact CG-CD2 4.29Å; L1034-M1059 HydrophobicContact CD1-SD 4.07Å; L1034-F1078 HydrophobicContact CB-CE1 4.03Å; L1034-F1078 HydrophobicContact CB-CZ 4.35Å; L1034-F1078 HydrophobicContact CD1-CE1 4.23Å; L1034-F1078 HydrophobicContact CD1-CZ 4.26Å
1035L92.5Very high88.9Confident61 Ų6144.7 Ų44.732%0.31922%0.222SC..Hα-helixtrans-72-16.7179.2-65.1178.8000113.7I1031 L1037 I1074 H1077 F1078I1031-L1035 HydrophobicContact CG2-CD1 3.6Å; I1031-L1035 HydrophobicContact CG2-CG 4.01Å; I1031-L1035 WeakPolarHBondContact O-CB 3.39Å; I1031-L1035 VanDerWaalsContact O-CG 3.27Å; I1031-L1035 WeakPolarHBondContact O-CG 3.39Å; I1031-L1035 PolarHBondContact O-N 3.28Å; L1035-L1037 PolarHBondContact O-N 2.88Å; L1035-I1074 HydrophobicContact CD1-CD1 4.5Å; L1035-I1074 HydrophobicContact CD1-CG1 4.33Å; L1035-H1077 WeakPolarHBondContact CD2-CD2 3.47Å; L1035-F1078 HydrophobicContact CD2-CE1 4.25Å; L1035-F1078 HydrophobicContact CD2-CZ 4.21Å
1036S90Very high88.4Confident25 Ų2541.1 Ų41.118%0.17522%0.216CC..THydrogen-bonded Turntrans-77-4.9177.376.60000114.3K990 Q1032 L1033 L1034K990-S1036 WeakPolarHBondContact CE-O 3.23Å; K990-S1036 PolarHBondContact NZ-O 3.44Å; Q1032-S1036 WeakPolarHBondContact O-CB 3.46Å; Q1032-S1036 PolarHBondContact O-N 3.39Å; Q1032-S1036 VanDerWaalsContact O-N 3.09Å; L1033-S1036 PolarHBondContact O-N 3.38Å; L1033-S1036 PolarHBondContact O-OG 2.79Å; L1034-S1036 VanDerWaalsContact C-N 3.27Å; L1034-S1036 PolarHBondContact O-N 2.97Å
1037L90.1Very high87.9Confident3 Ų345 Ų452%0.01623%0.233CC..SBendtrans-102.8131.4-176.5-63.5177.1000110.7L991 I994 L998 L1034 L1035 E1041 L1042 L1048L991-L1037 HydrophobicContact CD2-CD2 3.89Å; I994-L1037 HydrophobicContact CD1-CD2 4.01Å; I994-L1037 HydrophobicContact CG2-CD1 4.14Å; I994-L1037 HydrophobicContact CG2-CD2 4.17Å; I994-L1037 HydrophobicContact CG2-CG 4.41Å; L998-L1037 HydrophobicContact CD1-CD1 4.07Å; L1034-L1037 PolarHBondContact O-N 2.87Å; L1035-L1037 PolarHBondContact O-N 2.88Å; L1037-E1041 WeakPolarHBondContact CA-OE2 3.04Å; L1037-L1042 HydrophobicContact CB-CD2 4.4Å; L1037-L1042 HydrophobicContact CD1-CD2 4.15Å; L1037-L1048 HydrophobicContact CD1-CD1 3.98Å; L1037-L1048 HydrophobicContact CD1-CD2 4.31Å; L1037-L1048 HydrophobicContact CD1-CG 4.19Å; L1037-L1048 HydrophobicContact CD2-CD1 4.47Å; L1037-L1048 HydrophobicContact CD2-CD2 4Å
1038N85.9Confident87.8Confident95 Ų9545.2 Ų45.251%0.50823%0.234SC..  trans-88.7154.6177.9-64.5-4.3000111.2T1040 E1041 L1042N1038-T1040 PolarHBondContact O-N 3.39Å; N1038-E1041 HydrophobicContact CB-CG 4.26Å; N1038-E1041 PolarHBondContact N-OE2 3.42Å; N1038-E1041 VanDerWaalsContact N-OE2 3.12Å; N1038-E1041 WeakPolarHBondContact O-CB 3.49Å; N1038-E1041 PolarHBondContact O-N 2.97Å; N1038-L1042 PolarHBondContact O-N 3.1Å
1039N81.5Confident87.6Confident50 Ų5041.6 Ų41.627%0.26722%0.217SC..Hα-helixtrans-57.6-33.4178.3-71.7-25.5000113.2L1042 H1043 T1081 N1084N1039-L1042 PolarHBondContact O-N 2.87Å; N1039-H1043 PolarHBondContact O-N 3.38Å; N1039-H1043 VanDerWaalsContact O-N 3.11Å; N1039-T1081 WeakPolarHBondContact OD1-CG2 3.47Å; N1039-T1081 PolarHBondContact OD1-OG1 3.45Å; N1039-T1081 VanDerWaalsContact OD1-OG1 3.08Å; N1039-N1084 PolarHBondContact ND2-ND2 3.32Å
1040T81.2Confident87.5Confident91 Ų9144.5 Ų44.556%0.55823%0.232SC*.Hα-helixtrans-66.2-42.1175.357.20000112N1038 L1042 H1043 D1044N1038-T1040 PolarHBondContact O-N 3.39Å; T1040-L1042 VanDerWaalsContact C-N 3.28Å; T1040-L1042 PolarHBondContact O-N 3.46Å; T1040-H1043 PolarHBondContact O-N 2.94Å; T1040-D1044 WeakPolarHBondContact O-CB 3.35Å; T1040-D1044 VanDerWaalsContact O-CG 3.22Å; T1040-D1044 PolarHBondContact O-N 3.36Å
1041E84.2Confident87.4Confident17 Ų1745.8 Ų45.88%0.07924%0.241CC..Hα-helixtrans-64.5-34.6178.9-63.6176.6153.700111.4K990 L1037 N1038 H1045K990-E1041 IonicContact NZ-OE1 3.79Å; K990-E1041 PolarHBondContact NZ-OE1 3.44Å; K990-E1041 IonicContact NZ-OE2 3.6Å; K990-E1041 PolarHBondContact NZ-OE2 3.27Å; K990-E1041 VanDerWaalsContact NZ-OE2 3.1Å; L1037-E1041 WeakPolarHBondContact CA-OE2 3.04Å; N1038-E1041 HydrophobicContact CB-CG 4.26Å; N1038-E1041 PolarHBondContact N-OE2 3.42Å; N1038-E1041 VanDerWaalsContact N-OE2 3.12Å; N1038-E1041 WeakPolarHBondContact O-CB 3.49Å; N1038-E1041 PolarHBondContact O-N 2.97Å; E1041-H1045 WeakPolarHBondContact O-CB 3.3Å; E1041-H1045 PolarHBondContact O-N 2.78Å
1042L84.6Confident87.4Confident1 Ų145.5 Ų45.51%0.00524%0.239CC..Hα-helixtrans-69.6-41.4175.6-63.9175000111.7L1037 N1038 N1039 T1040 H1045 L1048 A1049 H1052 F1053 T1081L1037-L1042 HydrophobicContact CB-CD2 4.4Å; L1037-L1042 HydrophobicContact CD1-CD2 4.15Å; N1038-L1042 PolarHBondContact O-N 3.1Å; N1039-L1042 PolarHBondContact O-N 2.87Å; T1040-L1042 VanDerWaalsContact C-N 3.28Å; T1040-L1042 PolarHBondContact O-N 3.46Å; L1042-H1045 CarbonylContact O-C 2.96Å; L1042-L1048 HydrophobicContact CD2-CD2 4.42Å; L1042-L1048 HydrophobicContact CD2-CG 4.23Å; L1042-A1049 HydrophobicContact CB-CB 4.33Å; L1042-A1049 HydrophobicContact CD2-CB 4.42Å; L1042-H1052 HydrophobicContact CD2-CB 3.86Å; L1042-F1053 HydrophobicContact CD1-CZ 4.5Å; L1042-T1081 HydrophobicContact CD1-CG2 3.57Å
1043H78.3Confident87.5Confident128 Ų12841.6 Ų41.659%0.59322%0.221SC*.Hα-helixtrans-68.7-41.2179.2-169.2-80.5000112.3N1039 T1040 H1045N1039-H1043 PolarHBondContact O-N 3.38Å; N1039-H1043 VanDerWaalsContact O-N 3.11Å; T1040-H1043 PolarHBondContact O-N 2.94Å; H1043-H1045 VanDerWaalsContact C-N 3.3Å; H1043-H1045 PolarHBondContact O-N 3.33Å
1044D79.6Confident87.5Confident110 Ų11041.7 Ų41.759%0.58822%0.223SC*.Hα-helixtrans-74.3-20.1-178.8-64.7-18.5000113T1040T1040-D1044 WeakPolarHBondContact O-CB 3.35Å; T1040-D1044 VanDerWaalsContact O-CG 3.22Å; T1040-D1044 PolarHBondContact O-N 3.36Å
1045H85.1Confident87.5Confident57 Ų5741.7 Ų41.726%0.26422%0.223SC..  trans-130.782.7-175.1-60.3-49000112.4Y987 L991 E1041 L1042 H1043 K1047 L1048 A1049Y987-H1045 AromaticContact CD2-CE1 3.95Å; Y987-H1045 AromaticContact CD2-NE2 3.99Å; L991-H1045 WeakPolarHBondContact CD1-CD2 3.49Å; E1041-H1045 WeakPolarHBondContact O-CB 3.3Å; E1041-H1045 PolarHBondContact O-N 2.78Å; L1042-H1045 CarbonylContact O-C 2.96Å; H1043-H1045 VanDerWaalsContact C-N 3.3Å; H1043-H1045 PolarHBondContact O-N 3.33Å; H1045-K1047 VanDerWaalsContact C-N 3.26Å; H1045-K1047 PolarHBondContact O-N 2.81Å; H1045-K1047 VanDerWaalsContact O-N 3.09Å; H1045-L1048 HydrophobicContact CB-CB 3.96Å; H1045-L1048 WeakPolarHBondContact O-CA 3.25Å; H1045-L1048 VanDerWaalsContact O-CB 3.29Å; H1045-L1048 WeakPolarHBondContact O-CB 3.32Å; H1045-L1048 PolarHBondContact O-N 3.47Å; H1045-A1049 PolarHBondContact O-N 3.28Å
1046P82.6Confident87.6Confident56 Ų5638.9 Ų38.936%0.36421%0.208SC..Hα-helixtrans-59.3-31.8-172.520.6-33.3000114.2L1048 A1049 L1050 I1093P1046-L1048 VanDerWaalsContact C-N 3.33Å; P1046-L1048 PolarHBondContact O-N 3.25Å; P1046-A1049 WeakPolarHBondContact O-CB 3.22Å; P1046-A1049 PolarHBondContact O-N 3.37Å; P1046-L1050 WeakPolarHBondContact O-CG 3.44Å; P1046-L1050 PolarHBondContact O-N 3.49Å; P1046-I1093 HydrophobicContact CB-CD1 3.77Å
1047K82.4Confident87.8Confident80 Ų8039.9 Ų39.935%0.34821%0.21SC..Hα-helixtrans-66.6-33.8175.2-66.2-173.4178-172.90113.2M995 H1045 C1051M995-K1047 HydrophobicContact SD-CB 4.05Å; H1045-K1047 VanDerWaalsContact C-N 3.26Å; H1045-K1047 PolarHBondContact O-N 2.81Å; H1045-K1047 VanDerWaalsContact O-N 3.09Å; K1047-C1051 PolarHBondContact O-N 3.41Å; K1047-C1051 PolarHBondContact O-SG 3.46Å
1048L90.5Very high87.9Confident5 Ų541 Ų413%0.02622%0.215CC..Hα-helixtrans-68.9-44173.9177.867.4000109.6L991 I994 M995 L998 L1037 L1042 H1045 P1046 L1050 C1051 H1052L991-L1048 HydrophobicContact CB-CD2 4.48Å; L991-L1048 HydrophobicContact CD1-CD2 4.27Å; L991-L1048 HydrophobicContact CD2-CD2 3.87Å; L991-L1048 HydrophobicContact CG-CD2 4.44Å; I994-L1048 HydrophobicContact CG2-CD1 4.49Å; M995-L1048 HydrophobicContact CB-CD1 4.01Å; L998-L1048 HydrophobicContact CD1-CD1 4.37Å; L1037-L1048 HydrophobicContact CD1-CD1 3.98Å; L1037-L1048 HydrophobicContact CD1-CD2 4.31Å; L1037-L1048 HydrophobicContact CD1-CG 4.19Å; L1037-L1048 HydrophobicContact CD2-CD1 4.47Å; L1037-L1048 HydrophobicContact CD2-CD2 4Å; L1042-L1048 HydrophobicContact CD2-CD2 4.42Å; L1042-L1048 HydrophobicContact CD2-CG 4.23Å; H1045-L1048 HydrophobicContact CB-CB 3.96Å; H1045-L1048 WeakPolarHBondContact O-CA 3.25Å; H1045-L1048 VanDerWaalsContact O-CB 3.29Å; H1045-L1048 WeakPolarHBondContact O-CB 3.32Å; H1045-L1048 PolarHBondContact O-N 3.47Å; P1046-L1048 VanDerWaalsContact C-N 3.33Å; P1046-L1048 PolarHBondContact O-N 3.25Å; L1048-L1050 PolarHBondContact O-N 3.13Å; L1048-C1051 PolarHBondContact O-N 2.89Å; L1048-C1051 VanDerWaalsContact O-N 3.15Å; L1048-H1052 WeakPolarHBondContact O-CB 3.18Å; L1048-H1052 PolarHBondContact O-N 3.44Å
1049A89.3Confident88.2Confident0 Ų036.5 Ų36.50%019%0.191CC..Hα-helixtrans-57.7-45.5174.400000112.3L1042 H1045 P1046 C1051 H1052 F1053 I1093L1042-A1049 HydrophobicContact CB-CB 4.33Å; L1042-A1049 HydrophobicContact CD2-CB 4.42Å; H1045-A1049 PolarHBondContact O-N 3.28Å; P1046-A1049 WeakPolarHBondContact O-CB 3.22Å; P1046-A1049 PolarHBondContact O-N 3.37Å; A1049-C1051 VanDerWaalsContact C-N 3.31Å; A1049-C1051 PolarHBondContact O-N 3.43Å; A1049-H1052 WeakPolarHBondContact O-CB 3.35Å; A1049-H1052 PolarHBondContact O-N 3.08Å; A1049-H1052 VanDerWaalsContact O-N 3.16Å; A1049-F1053 HydrophobicContact CB-CD2 4.18Å; A1049-F1053 HydrophobicContact CB-CE2 4.11Å; A1049-F1053 WeakPolarHBondContact O-CD2 3.32Å; A1049-F1053 PolarHBondContact O-N 2.92Å; A1049-I1093 HydrophobicContact CB-CD1 3.77Å; A1049-I1093 HydrophobicContact CB-CG1 4.24Å
1050L90.6Very high88.7Confident65 Ų6534.4 Ų34.434%0.3418%0.18SC..Hα-helixtrans-60.2-38174.9-72.3172.4000112.9P1046 L1048 G1054 I1093P1046-L1050 WeakPolarHBondContact O-CG 3.44Å; P1046-L1050 PolarHBondContact O-N 3.49Å; L1048-L1050 PolarHBondContact O-N 3.13Å; L1050-G1054 WeakPolarHBondContact O-CA 3.43Å; L1050-G1054 PolarHBondContact O-N 2.69Å; L1050-I1093 HydrophobicContact CD2-CG1 3.89Å; L1050-I1093 HydrophobicContact CG-CG1 4.02Å
1051C92.4Very high89.1Confident27 Ų2733.2 Ų33.218%0.18217%0.17CC..Hα-helixtrans-71.7-37.3175.2-64.70000112.3M995 L998 K1047 L1048 A1049 L1055M995-C1051 HydrophobicContact CG-CB 4.14Å; M995-C1051 VanDerWaalsContact CG-SG 3.55Å; L998-C1051 HydrophobicContact CB-CB 4.2Å; L998-C1051 HydrophobicContact CD1-CB 4.45Å; K1047-C1051 PolarHBondContact O-N 3.41Å; K1047-C1051 PolarHBondContact O-SG 3.46Å; L1048-C1051 PolarHBondContact O-N 2.89Å; L1048-C1051 VanDerWaalsContact O-N 3.15Å; A1049-C1051 VanDerWaalsContact C-N 3.31Å; A1049-C1051 PolarHBondContact O-N 3.43Å; C1051-L1055 WeakPolarHBondContact O-CB 3.46Å; C1051-L1055 PolarHBondContact O-N 2.65Å; C1051-L1055 VanDerWaalsContact O-N 3.15Å
1052H94.6Very high89.2Confident1 Ų138 Ų381%0.00519%0.192CC..Hα-helixtrans-63.7-58176.8178.5107.4000110.6L998 L1034 L1042 L1048 A1049 L1055 L1056L998-H1052 HydrophobicContact CD1-CB 4.44Å; L1034-H1052 HydrophobicContact CD2-CB 4.18Å; L1034-H1052 VanDerWaalsContact CD2-ND1 3.34Å; L1034-H1052 WeakPolarHBondContact CD2-ND1 3.35Å; L1034-H1052 PolarHBondContact O-CE1 3.23Å; L1042-H1052 HydrophobicContact CD2-CB 3.86Å; L1048-H1052 WeakPolarHBondContact O-CB 3.18Å; L1048-H1052 PolarHBondContact O-N 3.44Å; A1049-H1052 WeakPolarHBondContact O-CB 3.35Å; A1049-H1052 PolarHBondContact O-N 3.08Å; A1049-H1052 VanDerWaalsContact O-N 3.16Å; H1052-L1055 PolarHBondContact O-N 3Å; H1052-L1056 WeakPolarHBondContact O-CB 3.43Å; H1052-L1056 PolarHBondContact O-N 3.03Å
1053F94.8Very high89.5Confident0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-70.1-33.2-178.7-64-62.2000112L1042 A1049 L1055 L1056 E1057 T1081 I1082 N1085 I1093 V1096L1042-F1053 HydrophobicContact CD1-CZ 4.5Å; A1049-F1053 HydrophobicContact CB-CD2 4.18Å; A1049-F1053 HydrophobicContact CB-CE2 4.11Å; A1049-F1053 WeakPolarHBondContact O-CD2 3.32Å; A1049-F1053 PolarHBondContact O-N 2.92Å; F1053-L1055 VanDerWaalsContact C-N 3.33Å; F1053-L1055 PolarHBondContact O-N 3.04Å; F1053-L1056 HydrophobicContact CD1-CD2 4.31Å; F1053-L1056 PolarHBondContact O-N 2.85Å; F1053-E1057 VanDerWaalsContact O-CB 3.27Å; F1053-E1057 WeakPolarHBondContact O-CB 3.42Å; F1053-E1057 PolarHBondContact O-N 2.79Å; F1053-T1081 HydrophobicContact CE1-CG2 4.01Å; F1053-T1081 HydrophobicContact CZ-CG2 3.88Å; F1053-I1082 HydrophobicContact CD1-CG1 4.3Å; F1053-I1082 HydrophobicContact CE1-CG1 3.97Å; F1053-N1085 HydrophobicContact CE2-CB 3.74Å; F1053-N1085 HydrophobicContact CZ-CB 3.65Å; F1053-I1093 HydrophobicContact CD2-CG2 4.06Å; F1053-I1093 HydrophobicContact CE2-CG2 4.04Å; F1053-V1096 VanDerWaalsContact C-CG1 3.5Å; F1053-V1096 HydrophobicContact CB-CB 4.29Å; F1053-V1096 HydrophobicContact CB-CG1 3.57Å
1054G93.2Very high90Very high4 Ų432.9 Ų32.94%0.04117%0.169CC..Hα-helixtrans-67.6-29.5175.800000113.8L1050L1050-G1054 WeakPolarHBondContact O-CA 3.43Å; L1050-G1054 PolarHBondContact O-N 2.69Å
1055L94.8Very high90.5Very high0 Ų030.2 Ų30.20%015%0.154CC..Hα-helixtrans-74.2-46.4168.9176.561.3000110.8L998 L1001 K1002 L1005 L1034 C1051 H1052 F1053 E1057 H1058 M1059L998-L1055 HydrophobicContact CB-CD2 4.48Å; L998-L1055 HydrophobicContact CD2-CD2 3.56Å; L1001-L1055 HydrophobicContact CB-CD1 3.84Å; L1001-L1055 HydrophobicContact CB-CD2 3.91Å; L1001-L1055 HydrophobicContact CD1-CD2 4.01Å; K1002-L1055 HydrophobicContact CB-CD1 4.3Å; L1005-L1055 HydrophobicContact CD1-CD1 3.98Å; L1034-L1055 HydrophobicContact CD1-CD2 4.29Å; L1034-L1055 HydrophobicContact CD2-CD2 4.26Å; L1034-L1055 HydrophobicContact CG-CD2 4.29Å; C1051-L1055 WeakPolarHBondContact O-CB 3.46Å; C1051-L1055 PolarHBondContact O-N 2.65Å; C1051-L1055 VanDerWaalsContact O-N 3.15Å; H1052-L1055 PolarHBondContact O-N 3Å; F1053-L1055 VanDerWaalsContact C-N 3.33Å; F1053-L1055 PolarHBondContact O-N 3.04Å; L1055-E1057 VanDerWaalsContact C-N 3.28Å; L1055-E1057 PolarHBondContact O-N 3.47Å; L1055-H1058 PolarHBondContact O-N 2.56Å; L1055-M1059 HydrophobicContact CD1-CG 4.25Å; L1055-M1059 HydrophobicContact CD1-SD 4.16Å; L1055-M1059 HydrophobicContact CD2-SD 4.34Å; L1055-M1059 HydrophobicContact CG-CG 4.4Å; L1055-M1059 HydrophobicContact CG-SD 3.87Å; L1055-M1059 WeakPolarHBondContact O-CG 3.1Å; L1055-M1059 PolarHBondContact O-N 2.99Å
1056L94.7Very high90.8Very high1 Ų127.5 Ų27.51%0.00514%0.141CC..Hα-helixtrans-59.4-40.1179.9-176.660.1000111.8H1052 F1053 H1058 M1059 L1060 F1078 I1082H1052-L1056 WeakPolarHBondContact O-CB 3.43Å; H1052-L1056 PolarHBondContact O-N 3.03Å; F1053-L1056 HydrophobicContact CD1-CD2 4.31Å; F1053-L1056 PolarHBondContact O-N 2.85Å; L1056-H1058 PolarHBondContact O-N 3.37Å; L1056-M1059 PolarHBondContact O-N 2.96Å; L1056-L1060 HydrophobicContact CD1-CD1 4.09Å; L1056-L1060 HydrophobicContact CD1-CG 4.05Å; L1056-L1060 HydrophobicContact CD2-CD1 4.46Å; L1056-L1060 HydrophobicContact CG-CD1 3.83Å; L1056-L1060 HydrophobicContact CG-CG 4.23Å; L1056-L1060 WeakPolarHBondContact O-CB 3.17Å; L1056-L1060 VanDerWaalsContact O-CG 3.27Å; L1056-L1060 WeakPolarHBondContact O-CG 3.02Å; L1056-L1060 PolarHBondContact O-N 3.39Å; L1056-F1078 HydrophobicContact CD1-CD1 4.12Å; L1056-F1078 HydrophobicContact CD1-CD2 4.34Å; L1056-F1078 HydrophobicContact CD1-CE1 4.24Å; L1056-F1078 HydrophobicContact CD1-CE2 4.44Å; L1056-F1078 HydrophobicContact CD1-CG 4.19Å; L1056-F1078 HydrophobicContact CD1-CZ 4.4Å; L1056-F1078 HydrophobicContact CD2-CB 4.43Å; L1056-F1078 HydrophobicContact CD2-CD1 4Å; L1056-F1078 HydrophobicContact CD2-CG 4.35Å; L1056-I1082 HydrophobicContact CD2-CD1 3.92Å; L1056-I1082 HydrophobicContact CD2-CG1 4.18Å
1057E94.4Very high91.2Very high46 Ų4624.9 Ų24.922%0.21512%0.124CC..Hα-helixtrans-53.6-52.8174.8-174.7-165155.700111F1053 L1055 M1059 L1060 N1061 V1096 V1099 C1100 Y1103F1053-E1057 VanDerWaalsContact O-CB 3.27Å; F1053-E1057 WeakPolarHBondContact O-CB 3.42Å; F1053-E1057 PolarHBondContact O-N 2.79Å; L1055-E1057 VanDerWaalsContact C-N 3.28Å; L1055-E1057 PolarHBondContact O-N 3.47Å; E1057-M1059 VanDerWaalsContact C-N 3.34Å; E1057-M1059 PolarHBondContact O-N 2.97Å; E1057-L1060 PolarHBondContact O-N 2.99Å; E1057-N1061 WeakPolarHBondContact O-CB 3.45Å; E1057-N1061 PolarHBondContact O-N 3.18Å; E1057-V1096 HydrophobicContact CB-CG1 4.23Å; E1057-V1099 HydrophobicContact CG-CB 4.43Å; E1057-V1099 HydrophobicContact CG-CG1 3.74Å; E1057-C1100 VanDerWaalsContact CA-SG 3.52Å; E1057-C1100 PolarHBondContact N-SG 3.32Å; E1057-Y1103 HydrophobicContact CG-CD2 4.36Å; E1057-Y1103 HydrophobicContact CG-CE2 3.97Å
1058H90.9Very high91.6Very high28 Ų2821.1 Ų21.113%0.1311%0.108CC..Hα-helixtrans-64.3-40.3179.9-17374.5000111.9L1005 S1006 L1055 L1056 L1060 N1061 E1062L1005-H1058 WeakPolarHBondContact CB-CD2 3.5Å; L1005-H1058 WeakPolarHBondContact CB-NE2 3.3Å; L1005-H1058 PolarHBondContact O-NE2 2.99Å; S1006-H1058 VanDerWaalsContact CA-CE1 3.41Å; S1006-H1058 WeakPolarHBondContact CA-CE1 3.34Å; S1006-H1058 WeakPolarHBondContact CB-ND1 2.99Å; S1006-H1058 PolarHBondContact N-NE2 3.17Å; L1055-H1058 PolarHBondContact O-N 2.56Å; L1056-H1058 PolarHBondContact O-N 3.37Å; H1058-L1060 VanDerWaalsContact C-N 3.34Å; H1058-L1060 PolarHBondContact O-N 2.99Å; H1058-N1061 PolarHBondContact O-N 2.92Å; H1058-E1062 PolarHBondContact O-N 3.06Å
1059M92.5Very high91.6Very high0 Ų021.6 Ų21.60%011%0.112CC..Hα-helixtrans-64-38.3176.3-68.4179.262.100112.2L1005 M1027 I1031 L1034 L1055 L1056 E1057 H1063 I1064 V1067L1005-M1059 HydrophobicContact CD1-CG 4.11Å; M1027-M1059 HydrophobicContact CE-CE 3.65Å; M1027-M1059 HydrophobicContact CE-CG 4.21Å; M1027-M1059 HydrophobicContact SD-CE 4.35Å; I1031-M1059 HydrophobicContact CD1-CE 3.36Å; I1031-M1059 HydrophobicContact CG1-CE 3.8Å; L1034-M1059 HydrophobicContact CD1-SD 4.07Å; L1055-M1059 HydrophobicContact CD1-CG 4.25Å; L1055-M1059 HydrophobicContact CD1-SD 4.16Å; L1055-M1059 HydrophobicContact CD2-SD 4.34Å; L1055-M1059 HydrophobicContact CG-CG 4.4Å; L1055-M1059 HydrophobicContact CG-SD 3.87Å; L1055-M1059 WeakPolarHBondContact O-CG 3.1Å; L1055-M1059 PolarHBondContact O-N 2.99Å; L1056-M1059 PolarHBondContact O-N 2.96Å; E1057-M1059 VanDerWaalsContact C-N 3.34Å; E1057-M1059 PolarHBondContact O-N 2.97Å; M1059-H1063 CarbonylContact O-C 3.57Å; M1059-H1063 WeakPolarHBondContact O-CA 3.5Å; M1059-H1063 WeakPolarHBondContact O-CB 3.29Å; M1059-H1063 PolarHBondContact O-N 3.22Å; M1059-I1064 PolarHBondContact O-N 3.25Å; M1059-V1067 HydrophobicContact CB-CG2 4.12Å; M1059-V1067 HydrophobicContact CE-CG2 3.97Å
1060L92.2Very high91.5Very high6 Ų624 Ų243%0.03113%0.125CC..Hα-helixtrans-76-28.8177-69.1174.6000112.8L1056 E1057 H1058 I1064 V1067 C1100 F1104L1056-L1060 HydrophobicContact CD1-CD1 4.09Å; L1056-L1060 HydrophobicContact CD1-CG 4.05Å; L1056-L1060 HydrophobicContact CD2-CD1 4.46Å; L1056-L1060 HydrophobicContact CG-CD1 3.83Å; L1056-L1060 HydrophobicContact CG-CG 4.23Å; L1056-L1060 WeakPolarHBondContact O-CB 3.17Å; L1056-L1060 VanDerWaalsContact O-CG 3.27Å; L1056-L1060 WeakPolarHBondContact O-CG 3.02Å; L1056-L1060 PolarHBondContact O-N 3.39Å; E1057-L1060 PolarHBondContact O-N 2.99Å; H1058-L1060 VanDerWaalsContact C-N 3.34Å; H1058-L1060 PolarHBondContact O-N 2.99Å; L1060-I1064 HydrophobicContact CD2-CD1 4.16Å; L1060-I1064 HydrophobicContact CD2-CG1 4.29Å; L1060-I1064 WeakPolarHBondContact O-CB 3.41Å; L1060-V1067 HydrophobicContact CD2-CG1 4.29Å; L1060-C1100 HydrophobicContact CD1-CB 3.78Å; L1060-C1100 WeakPolarHBondContact CD1-O 3.35Å; L1060-F1104 HydrophobicContact CD2-CD2 4.09Å
1061N90.2Very high91.4Very high65 Ų6521.7 Ų21.735%0.34812%0.116SC..Hα-helixtrans-72-56.8176.2-173.422.8000111.6E1057 H1058 Y1103E1057-N1061 WeakPolarHBondContact O-CB 3.45Å; E1057-N1061 PolarHBondContact O-N 3.18Å; H1058-N1061 PolarHBondContact O-N 2.92Å; N1061-Y1103 HydrophobicContact CB-CD1 4.17Å; N1061-Y1103 HydrophobicContact CB-CD2 3.92Å; N1061-Y1103 HydrophobicContact CB-CE1 3.95Å; N1061-Y1103 HydrophobicContact CB-CE2 3.65Å; N1061-Y1103 HydrophobicContact CB-CG 4.19Å; N1061-Y1103 VanDerWaalsContact CG-CZ 3.42Å; N1061-Y1103 WeakPolarHBondContact OD1-CE1 3.25Å
1062E85.8Confident91.1Very high119 Ų11921.7 Ų21.756%0.55612%0.115SC*.Hα-helixtrans-100-19.7-169.1-64.8-64.6152.400113.8H1058H1058-E1062 PolarHBondContact O-N 3.06Å
1063H90.1Very high90.7Very high7 Ų725.5 Ų25.53%0.03214%0.141CC..  trans-133.325.3-169.5-61.2-37.5000114.4F1012 M1027 M1059 I1065 F1066 V1067 W1179F1012-H1063 AromaticContact CD2-CE1 3.55Å; F1012-H1063 AromaticContact CD2-NE2 3.84Å; F1012-H1063 AromaticContact CE2-CE1 3.71Å; F1012-H1063 AromaticContact CE2-NE2 3.52Å; M1027-H1063 HydrophobicContact CE-CB 3.45Å; M1027-H1063 VanDerWaalsContact CE-CB 3.45Å; M1059-H1063 CarbonylContact O-C 3.57Å; M1059-H1063 WeakPolarHBondContact O-CA 3.5Å; M1059-H1063 WeakPolarHBondContact O-CB 3.29Å; M1059-H1063 PolarHBondContact O-N 3.22Å; H1063-I1065 PolarHBondContact O-N 3.27Å; H1063-I1065 VanDerWaalsContact O-N 3.16Å; H1063-F1066 WeakPolarHBondContact O-CB 3.45Å; H1063-F1066 PolarHBondContact O-N 2.99Å; H1063-V1067 PolarHBondContact O-N 2.74Å; H1063-W1179 AromaticContact CG-NE1 3.95Å; H1063-W1179 AromaticContact ND1-NE1 3.47Å; H1063-W1179 PolarHBondContact ND1-NE1 3.31Å
1064I89.8Confident90.4Very high14 Ų1427.4 Ų27.47%0.07215%0.15CC..Hα-helixtrans-58.7-31.8-177.8-169.4154.9000114M1059 L1060 F1066 V1067 A1068 H1107M1059-I1064 PolarHBondContact O-N 3.25Å; L1060-I1064 HydrophobicContact CD2-CD1 4.16Å; L1060-I1064 HydrophobicContact CD2-CG1 4.29Å; L1060-I1064 WeakPolarHBondContact O-CB 3.41Å; I1064-F1066 VanDerWaalsContact C-N 3.25Å; I1064-F1066 PolarHBondContact O-N 3.18Å; I1064-V1067 PolarHBondContact O-N 3.13Å; I1064-A1068 WeakPolarHBondContact O-CB 3.35Å; I1064-A1068 PolarHBondContact O-N 3.22Å; I1064-H1107 HydrophobicContact CD1-CB 3.49Å; I1064-H1107 VanDerWaalsContact CD1-CB 3.49Å; I1064-H1107 HydrophobicContact CG1-CB 4.36Å; I1064-H1107 HydrophobicContact CG2-CB 4.32Å; I1064-H1107 WeakPolarHBondContact CG2-CD2 3.38Å
1065I90Very high90.2Very high53 Ų5327.3 Ų27.327%0.27215%0.149SC..Hα-helixtrans-59.2-40.6175.2-61.9174.2000110.4H1063 S1069 W1179 R1182 A1183 A1186H1063-I1065 PolarHBondContact O-N 3.27Å; H1063-I1065 VanDerWaalsContact O-N 3.16Å; I1065-S1069 WeakPolarHBondContact O-CB 3.23Å; I1065-S1069 PolarHBondContact O-N 3.26Å; I1065-S1069 VanDerWaalsContact O-N 3.08Å; I1065-W1179 HydrophobicContact CB-CB 4.13Å; I1065-W1179 HydrophobicContact CG2-CB 3.74Å; I1065-R1182 HydrophobicContact CG2-CB 4.4Å; I1065-A1183 HydrophobicContact CG2-CB 4.27Å; I1065-A1186 HydrophobicContact CG2-CB 3.87Å; I1065-A1186 VanDerWaalsContact O-CB 3.26Å; I1065-A1186 WeakPolarHBondContact O-CB 3.44Å
1066F91.2Very high89.9Confident0 Ų028.4 Ų28.40%015%0.154CC..Hα-helixtrans-65.2-52.7174.9177.3-88.7000110.7E1024 M1027 E1028 I1031 H1063 I1064 A1068 S1069 L1070 W1179 R1182E1024-F1066 HydrophobicContact CG-CE2 4.25Å; M1027-F1066 HydrophobicContact CB-CD1 3.86Å; M1027-F1066 HydrophobicContact CB-CD2 4.32Å; M1027-F1066 HydrophobicContact CB-CE1 3.43Å; M1027-F1066 VanDerWaalsContact CB-CE1 3.43Å; M1027-F1066 HydrophobicContact CB-CE2 3.91Å; M1027-F1066 HydrophobicContact CB-CG 4.29Å; M1027-F1066 HydrophobicContact CB-CZ 3.45Å; M1027-F1066 VanDerWaalsContact CB-CZ 3.45Å; M1027-F1066 HydrophobicContact CE-CB 4.24Å; M1027-F1066 HydrophobicContact CE-CD1 3.59Å; M1027-F1066 HydrophobicContact CE-CE1 4.23Å; M1027-F1066 HydrophobicContact CE-CG 4.04Å; M1027-F1066 HydrophobicContact CG-CD1 4.48Å; M1027-F1066 HydrophobicContact CG-CE1 4.5Å; E1028-F1066 HydrophobicContact CG-CZ 3.91Å; I1031-F1066 HydrophobicContact CG1-CE1 4.16Å; H1063-F1066 WeakPolarHBondContact O-CB 3.45Å; H1063-F1066 PolarHBondContact O-N 2.99Å; I1064-F1066 VanDerWaalsContact C-N 3.25Å; I1064-F1066 PolarHBondContact O-N 3.18Å; F1066-A1068 VanDerWaalsContact C-N 3.28Å; F1066-A1068 PolarHBondContact O-N 3.01Å; F1066-S1069 WeakPolarHBondContact O-CB 3.39Å; F1066-S1069 PolarHBondContact O-N 2.92Å; F1066-S1069 PolarHBondContact O-OG 3.11Å; F1066-L1070 HydrophobicContact CD1-CD1 4.38Å; F1066-L1070 HydrophobicContact CE1-CD1 3.94Å; F1066-L1070 HydrophobicContact CE1-CD2 4Å; F1066-L1070 HydrophobicContact CE1-CG 4.29Å; F1066-L1070 HydrophobicContact CZ-CD2 3.96Å; F1066-W1179 HydrophobicContact CB-CD2 3.9Å; F1066-W1179 HydrophobicContact CB-CE3 4.42Å; F1066-W1179 HydrophobicContact CB-CG 4.21Å; F1066-W1179 HydrophobicContact CB-CZ2 4.11Å; F1066-W1179 HydrophobicContact CD2-CD2 4.13Å; F1066-W1179 AromaticContact CD2-CE3 3.81Å; F1066-W1179 HydrophobicContact CD2-CE3 3.81Å; F1066-W1179 AromaticContact CD2-CH2 3.52Å; F1066-W1179 HydrophobicContact CD2-CH2 3.52Å; F1066-W1179 AromaticContact CD2-CZ2 3.86Å; F1066-W1179 HydrophobicContact CD2-CZ2 3.86Å; F1066-W1179 AromaticContact CD2-CZ3 3.5Å; F1066-W1179 HydrophobicContact CD2-CZ3 3.5Å; F1066-W1179 VanDerWaalsContact CD2-CZ3 3.5Å; F1066-W1179 AromaticContact CE2-CH2 4Å; F1066-W1179 HydrophobicContact CE2-CH2 4Å; F1066-W1179 HydrophobicContact CE2-CZ3 4.03Å; F1066-W1179 HydrophobicContact CG-CD2 4.48Å; F1066-W1179 HydrophobicContact CG-CH2 4.27Å; F1066-W1179 HydrophobicContact CG-CZ2 4.15Å; F1066-W1179 HydrophobicContact CG-CZ3 4.48Å; F1066-R1182 VanDerWaalsContact CE2-CZ 3.45Å
1067V91.3Very high89.7Confident1 Ų131 Ų311%0.00617%0.167CC..Hα-helixtrans-57.2-43.4-178.2-177.40000111.1M1059 L1060 H1063 I1064 S1069 L1070 L1075 F1078M1059-V1067 HydrophobicContact CB-CG2 4.12Å; M1059-V1067 HydrophobicContact CE-CG2 3.97Å; L1060-V1067 HydrophobicContact CD2-CG1 4.29Å; H1063-V1067 PolarHBondContact O-N 2.74Å; I1064-V1067 PolarHBondContact O-N 3.13Å; V1067-S1069 VanDerWaalsContact C-N 3.32Å; V1067-S1069 PolarHBondContact O-N 2.97Å; V1067-L1070 PolarHBondContact O-N 2.73Å; V1067-L1075 HydrophobicContact CG1-CD2 4Å; V1067-F1078 HydrophobicContact CG1-CD2 4.2Å; V1067-F1078 HydrophobicContact CG1-CE2 4.12Å
1068A90Very high89.5Confident1 Ų129 Ų291%0.00816%0.157CC..Hα-helixtrans-66.8-28.5176.900000114I1064 F1066 L1070 L1075 A1186 N1189 L1190I1064-A1068 WeakPolarHBondContact O-CB 3.35Å; I1064-A1068 PolarHBondContact O-N 3.22Å; F1066-A1068 VanDerWaalsContact C-N 3.28Å; F1066-A1068 PolarHBondContact O-N 3.01Å; A1068-L1070 PolarHBondContact O-N 3.2Å; A1068-L1075 HydrophobicContact CB-CD1 4.47Å; A1068-A1186 HydrophobicContact CB-CB 3.74Å; A1068-N1189 WeakPolarHBondContact O-CB 3.16Å; A1068-N1189 PolarHBondContact O-ND2 3.22Å; A1068-L1190 HydrophobicContact CB-CD1 3.7Å; A1068-L1190 HydrophobicContact CB-CD2 4.21Å; A1068-L1190 HydrophobicContact CB-CG 3.7Å
1069S90.8Very high89.5Confident16 Ų1627.8 Ų27.811%0.11215%0.151CC..Hα-helixtrans-72.6-13.5178.972.60000114.4I1065 F1066 V1067 G1071 R1182 N1189I1065-S1069 WeakPolarHBondContact O-CB 3.23Å; I1065-S1069 PolarHBondContact O-N 3.26Å; I1065-S1069 VanDerWaalsContact O-N 3.08Å; F1066-S1069 WeakPolarHBondContact O-CB 3.39Å; F1066-S1069 PolarHBondContact O-N 2.92Å; F1066-S1069 PolarHBondContact O-OG 3.11Å; V1067-S1069 VanDerWaalsContact C-N 3.32Å; V1067-S1069 PolarHBondContact O-N 2.97Å; S1069-G1071 VanDerWaalsContact C-N 3.29Å; S1069-G1071 PolarHBondContact O-N 3.31Å; S1069-R1182 WeakPolarHBondContact OG-CD 3.43Å; S1069-R1182 PolarHBondContact OG-NH1 3.42Å; S1069-N1189 PolarHBondContact O-ND2 2.99Å
1070L88Confident89.3Confident50 Ų5032.4 Ų32.426%0.26217%0.173SC..THydrogen-bonded Turntrans-75.4-15.9-175.3-59170.6000113.7I1031 F1066 V1067 A1068 I1074I1031-L1070 HydrophobicContact CB-CD1 4.31Å; I1031-L1070 HydrophobicContact CD1-CD1 3.73Å; I1031-L1070 HydrophobicContact CG1-CD1 3.58Å; I1031-L1070 HydrophobicContact CG2-CD1 4.03Å; F1066-L1070 HydrophobicContact CD1-CD1 4.38Å; F1066-L1070 HydrophobicContact CE1-CD1 3.94Å; F1066-L1070 HydrophobicContact CE1-CD2 4Å; F1066-L1070 HydrophobicContact CE1-CG 4.29Å; F1066-L1070 HydrophobicContact CZ-CD2 3.96Å; V1067-L1070 PolarHBondContact O-N 2.73Å; A1068-L1070 PolarHBondContact O-N 3.2Å; L1070-I1074 HydrophobicContact CB-CD1 3.78Å; L1070-I1074 HydrophobicContact CD1-CG2 4.47Å
1071G87.2Confident89.1Confident16 Ų1632.2 Ų32.217%0.16517%0.172CC..  trans116.7155.1177.600000113.5S1069 P1073 I1074 L1075 N1189S1069-G1071 VanDerWaalsContact C-N 3.29Å; S1069-G1071 PolarHBondContact O-N 3.31Å; G1071-P1073 VanDerWaalsContact C-CD 3.44Å; G1071-I1074 PolarHBondContact O-N 3.26Å; G1071-L1075 PolarHBondContact O-N 3.48Å; G1071-N1189 PolarHBondContact N-ND2 3.15Å
1072T86.2Confident89.1Confident27 Ų2729.1 Ų29.117%0.16616%0.156CC..Hα-helixtrans-55.6-40.6-177.6-43.30000114.6I1074 L1075 L1076 L1193T1072-I1074 VanDerWaalsContact C-N 3.34Å; T1072-I1074 PolarHBondContact O-N 3Å; T1072-L1075 WeakPolarHBondContact O-CB 3.27Å; T1072-L1075 PolarHBondContact O-N 3.4Å; T1072-L1076 HydrophobicContact CG2-CD1 4.23Å; T1072-L1076 HydrophobicContact CG2-CG 4.41Å; T1072-L1076 WeakPolarHBondContact O-CG 3.49Å; T1072-L1076 PolarHBondContact O-N 2.62Å; T1072-L1193 HydrophobicContact CG2-CD2 3.57Å; T1072-L1193 HydrophobicContact CG2-CG 4.24Å
1073P86.4Confident89.1Confident82 Ų8224.5 Ų24.553%0.53214%0.138SC..Hα-helixtrans-61.6-37.8-178.2-25.535.6000113.9G1071 L1076 H1077G1071-P1073 VanDerWaalsContact C-CD 3.44Å; P1073-L1076 PolarHBondContact O-N 3.48Å; P1073-H1077 PolarHBondContact O-N 3.42Å
1074I88.1Confident88.8Confident40 Ų4028.5 Ų28.521%0.20516%0.159CC..Hα-helixtrans-70-38.7179-67.3167.7000110.4I1031 L1035 L1070 G1071 T1072 H1077 F1078I1031-I1074 HydrophobicContact CG2-CG2 4.45Å; L1035-I1074 HydrophobicContact CD1-CD1 4.5Å; L1035-I1074 HydrophobicContact CD1-CG1 4.33Å; L1070-I1074 HydrophobicContact CB-CD1 3.78Å; L1070-I1074 HydrophobicContact CD1-CG2 4.47Å; G1071-I1074 PolarHBondContact O-N 3.26Å; T1072-I1074 VanDerWaalsContact C-N 3.34Å; T1072-I1074 PolarHBondContact O-N 3Å; I1074-H1077 PolarHBondContact O-N 3.24Å; I1074-F1078 HydrophobicContact CG2-CD2 3.9Å; I1074-F1078 HydrophobicContact CG2-CE2 3.47Å; I1074-F1078 VanDerWaalsContact CG2-CE2 3.47Å; I1074-F1078 HydrophobicContact CG2-CZ 4.26Å; I1074-F1078 WeakPolarHBondContact O-CD2 3.45Å; I1074-F1078 PolarHBondContact O-N 2.95Å
1075L89.4Confident88.4Confident1 Ų128.1 Ų28.11%0.00516%0.157CC..Hα-helixtrans-63.3-42.5175.2-63.3-179.2000111.8V1067 A1068 G1071 T1072 F1078 L1079 F1104 N1189 L1190 L1193V1067-L1075 HydrophobicContact CG1-CD2 4Å; A1068-L1075 HydrophobicContact CB-CD1 4.47Å; G1071-L1075 PolarHBondContact O-N 3.48Å; T1072-L1075 WeakPolarHBondContact O-CB 3.27Å; T1072-L1075 PolarHBondContact O-N 3.4Å; L1075-F1078 PolarHBondContact O-N 2.95Å; L1075-L1079 WeakPolarHBondContact O-CG 3.39Å; L1075-L1079 PolarHBondContact O-N 3.33Å; L1075-F1104 HydrophobicContact CB-CZ 4.49Å; L1075-F1104 HydrophobicContact CD2-CE2 4.06Å; L1075-N1189 HydrophobicContact CD1-CB 4.4Å; L1075-L1190 HydrophobicContact CD1-CD2 3.97Å; L1075-L1190 HydrophobicContact CD1-CG 4.41Å; L1075-L1193 HydrophobicContact CB-CD1 4.3Å; L1075-L1193 HydrophobicContact CD1-CD1 4.04Å
1076L88.6Confident88.1Confident23 Ų2325.6 Ų25.612%0.1215%0.145CC..Hα-helixtrans-61.9-44.7175.5-71.4171.9000111.3T1072 P1073 F1078 L1079 E1080 L1193 G1209T1072-L1076 HydrophobicContact CG2-CD1 4.23Å; T1072-L1076 HydrophobicContact CG2-CG 4.41Å; T1072-L1076 WeakPolarHBondContact O-CG 3.49Å; T1072-L1076 PolarHBondContact O-N 2.62Å; P1073-L1076 PolarHBondContact O-N 3.48Å; L1076-F1078 PolarHBondContact O-N 2.63Å; L1076-L1079 PolarHBondContact O-N 3.08Å; L1076-E1080 WeakPolarHBondContact O-CB 3.4Å; L1076-E1080 PolarHBondContact O-N 2.67Å; L1076-L1193 HydrophobicContact CD2-CD2 3.67Å; L1076-L1193 HydrophobicContact CG-CD2 3.93Å; L1076-G1209 VanDerWaalsContact CD2-CA 3.43Å
1077H89.9Confident87.4Confident56 Ų5628.4 Ų28.426%0.25916%0.159SC..Hα-helixtrans-58.3-47.6176.7179.975.9000112.2L1035 P1073 I1074 L1079 E1080 T1081L1035-H1077 WeakPolarHBondContact CD2-CD2 3.47Å; P1073-H1077 PolarHBondContact O-N 3.42Å; I1074-H1077 PolarHBondContact O-N 3.24Å; H1077-L1079 PolarHBondContact O-N 3.39Å; H1077-E1080 PolarHBondContact O-N 3.12Å; H1077-T1081 WeakPolarHBondContact O-CB 3.37Å; H1077-T1081 PolarHBondContact O-N 3.47Å; H1077-T1081 PolarHBondContact O-OG1 3.2Å
1078F91.2Very high86.4Confident5 Ų529.4 Ų29.42%0.02217%0.166CC..Hα-helixtrans-63.4-41.3177.2-72.2-47.5000112.7I1031 L1034 L1035 L1056 V1067 I1074 L1075 L1076 E1080 T1081 I1082I1031-F1078 HydrophobicContact CD1-CE2 3.77Å; I1031-F1078 HydrophobicContact CD1-CZ 3.74Å; I1031-F1078 HydrophobicContact CG2-CZ 4.42Å; L1034-F1078 HydrophobicContact CB-CE1 4.03Å; L1034-F1078 HydrophobicContact CB-CZ 4.35Å; L1034-F1078 HydrophobicContact CD1-CE1 4.23Å; L1034-F1078 HydrophobicContact CD1-CZ 4.26Å; L1035-F1078 HydrophobicContact CD2-CE1 4.25Å; L1035-F1078 HydrophobicContact CD2-CZ 4.21Å; L1056-F1078 HydrophobicContact CD1-CD1 4.12Å; L1056-F1078 HydrophobicContact CD1-CD2 4.34Å; L1056-F1078 HydrophobicContact CD1-CE1 4.24Å; L1056-F1078 HydrophobicContact CD1-CE2 4.44Å; L1056-F1078 HydrophobicContact CD1-CG 4.19Å; L1056-F1078 HydrophobicContact CD1-CZ 4.4Å; L1056-F1078 HydrophobicContact CD2-CB 4.43Å; L1056-F1078 HydrophobicContact CD2-CD1 4Å; L1056-F1078 HydrophobicContact CD2-CG 4.35Å; V1067-F1078 HydrophobicContact CG1-CD2 4.2Å; V1067-F1078 HydrophobicContact CG1-CE2 4.12Å; I1074-F1078 HydrophobicContact CG2-CD2 3.9Å; I1074-F1078 HydrophobicContact CG2-CE2 3.47Å; I1074-F1078 VanDerWaalsContact CG2-CE2 3.47Å; I1074-F1078 HydrophobicContact CG2-CZ 4.26Å; I1074-F1078 WeakPolarHBondContact O-CD2 3.45Å; I1074-F1078 PolarHBondContact O-N 2.95Å; L1075-F1078 PolarHBondContact O-N 2.95Å; L1076-F1078 PolarHBondContact O-N 2.63Å; F1078-E1080 VanDerWaalsContact C-N 3.31Å; F1078-E1080 PolarHBondContact O-N 2.8Å; F1078-T1081 PolarHBondContact O-N 3.34Å; F1078-I1082 WeakPolarHBondContact O-CB 3.4Å; F1078-I1082 WeakPolarHBondContact O-CD1 3.17Å; F1078-I1082 WeakPolarHBondContact O-CG1 3.32Å; F1078-I1082 PolarHBondContact O-N 2.98Å
1079L89.8Confident85.3Confident1 Ų137.5 Ų37.51%0.00521%0.208CC..Hα-helixtrans-62.7-39.2175.5-76.3174000111.9L1075 L1076 H1077 A1083 L1101 F1104 L1212 L1213 I1216L1075-L1079 WeakPolarHBondContact O-CG 3.39Å; L1075-L1079 PolarHBondContact O-N 3.33Å; L1076-L1079 PolarHBondContact O-N 3.08Å; H1077-L1079 PolarHBondContact O-N 3.39Å; L1079-A1083 WeakPolarHBondContact O-CB 3.17Å; L1079-A1083 PolarHBondContact O-N 3.44Å; L1079-L1101 HydrophobicContact CD2-CD1 4.1Å; L1079-F1104 HydrophobicContact CD1-CE1 3.75Å; L1079-F1104 HydrophobicContact CD1-CZ 3.74Å; L1079-F1104 HydrophobicContact CD2-CD1 3.84Å; L1079-F1104 HydrophobicContact CD2-CD2 4.42Å; L1079-F1104 HydrophobicContact CD2-CE1 3.88Å; L1079-F1104 HydrophobicContact CD2-CE2 4.45Å; L1079-F1104 HydrophobicContact CD2-CG 4.12Å; L1079-F1104 HydrophobicContact CD2-CZ 4.19Å; L1079-F1104 HydrophobicContact CG-CE1 4.13Å; L1079-F1104 HydrophobicContact CG-CE2 4.34Å; L1079-F1104 HydrophobicContact CG-CZ 4.01Å; L1079-L1212 HydrophobicContact CB-CD2 3.52Å; L1079-L1212 HydrophobicContact CB-CG 4.36Å; L1079-L1213 HydrophobicContact CD1-CD2 4.19Å; L1079-L1213 HydrophobicContact CD2-CD2 4.38Å; L1079-I1216 HydrophobicContact CD2-CD1 4.38Å
1080E89.3Confident84.4Confident97 Ų9739.8 Ų39.845%0.45322%0.219SC..Hα-helixtrans-68.2-45.9178.1-171-178.7176.100111.2L1076 H1077 F1078 I1082 A1083 N1084 L1212L1076-E1080 WeakPolarHBondContact O-CB 3.4Å; L1076-E1080 PolarHBondContact O-N 2.67Å; H1077-E1080 PolarHBondContact O-N 3.12Å; F1078-E1080 VanDerWaalsContact C-N 3.31Å; F1078-E1080 PolarHBondContact O-N 2.8Å; E1080-I1082 VanDerWaalsContact C-N 3.34Å; E1080-I1082 PolarHBondContact O-N 2.95Å; E1080-A1083 PolarHBondContact O-N 3.02Å; E1080-N1084 WeakPolarHBondContact O-CB 3.33Å; E1080-N1084 PolarHBondContact O-N 2.84Å; E1080-N1084 PolarHBondContact O-ND2 3.41Å; E1080-L1212 HydrophobicContact CB-CD2 4.31Å
1081T88.4Confident84Confident2 Ų240 Ų401%0.01222%0.224CC..Hα-helixtrans-61.8-40.7175.5-62.80000111.8N1039 L1042 F1053 H1077 F1078 N1085N1039-T1081 WeakPolarHBondContact OD1-CG2 3.47Å; N1039-T1081 PolarHBondContact OD1-OG1 3.45Å; N1039-T1081 VanDerWaalsContact OD1-OG1 3.08Å; L1042-T1081 HydrophobicContact CD1-CG2 3.57Å; F1053-T1081 HydrophobicContact CE1-CG2 4.01Å; F1053-T1081 HydrophobicContact CZ-CG2 3.88Å; H1077-T1081 WeakPolarHBondContact O-CB 3.37Å; H1077-T1081 PolarHBondContact O-N 3.47Å; H1077-T1081 PolarHBondContact O-OG1 3.2Å; F1078-T1081 PolarHBondContact O-N 3.34Å; T1081-N1085 PolarHBondContact O-N 3.43Å; T1081-N1085 PolarHBondContact O-ND2 3.2Å
1082I89.7Confident83.5Confident1 Ų140.1 Ų40.11%0.00523%0.226CC..Hα-helixtrans-63-50.6172.3-70.4166.1000109.8F1053 L1056 F1078 E1080 N1084 N1085 I1086 C1097 C1100 L1101F1053-I1082 HydrophobicContact CD1-CG1 4.3Å; F1053-I1082 HydrophobicContact CE1-CG1 3.97Å; L1056-I1082 HydrophobicContact CD2-CD1 3.92Å; L1056-I1082 HydrophobicContact CD2-CG1 4.18Å; F1078-I1082 WeakPolarHBondContact O-CB 3.4Å; F1078-I1082 WeakPolarHBondContact O-CD1 3.17Å; F1078-I1082 WeakPolarHBondContact O-CG1 3.32Å; F1078-I1082 PolarHBondContact O-N 2.98Å; E1080-I1082 VanDerWaalsContact C-N 3.34Å; E1080-I1082 PolarHBondContact O-N 2.95Å; I1082-N1084 VanDerWaalsContact C-N 3.27Å; I1082-N1084 PolarHBondContact O-N 3.23Å; I1082-N1085 CarbonylContact O-C 3.51Å; I1082-N1085 PolarHBondContact O-N 3.47Å; I1082-I1086 HydrophobicContact CG2-CD1 3.9Å; I1082-I1086 HydrophobicContact CG2-CG1 3.98Å; I1082-I1086 WeakPolarHBondContact O-CG1 3.36Å; I1082-I1086 PolarHBondContact O-N 2.88Å; I1082-C1097 HydrophobicContact CG2-CB 4.16Å; I1082-C1100 HydrophobicContact CD1-CB 3.8Å; I1082-C1100 HydrophobicContact CG1-CB 4.46Å; I1082-L1101 HydrophobicContact CG2-CB 4.34Å
1083A86.2Confident83.5Confident21 Ų2139.2 Ų39.217%0.17422%0.22CC..Hα-helixtrans-55.8-41.5-178.800000112.6L1079 E1080 N1085 L1212 I1216L1079-A1083 WeakPolarHBondContact O-CB 3.17Å; L1079-A1083 PolarHBondContact O-N 3.44Å; E1080-A1083 PolarHBondContact O-N 3.02Å; A1083-N1085 VanDerWaalsContact C-N 3.26Å; A1083-N1085 PolarHBondContact O-N 3.21Å; A1083-L1212 HydrophobicContact CB-CD1 4.16Å; A1083-I1216 HydrophobicContact CB-CD1 4.07Å; A1083-I1216 HydrophobicContact CB-CG1 3.75Å
1084N82.7Confident83.3Confident91 Ų9135.6 Ų35.649%0.48720%0.197SC..Hα-helixtrans-67.6-24.1178.2-69.1-22.7000113.3N1039 E1080 I1082N1039-N1084 PolarHBondContact ND2-ND2 3.32Å; E1080-N1084 WeakPolarHBondContact O-CB 3.33Å; E1080-N1084 PolarHBondContact O-N 2.84Å; E1080-N1084 PolarHBondContact O-ND2 3.41Å; I1082-N1084 VanDerWaalsContact C-N 3.27Å; I1082-N1084 PolarHBondContact O-N 3.23Å
1085N82.7Confident83.3Confident6 Ų637.5 Ų37.53%0.03221%0.205CC..Hα-helixtrans-108.2-4.9-176.4-72.3-86.4000114.2F1053 T1081 I1082 A1083 I1087 S1088 I1093F1053-N1085 HydrophobicContact CE2-CB 3.74Å; F1053-N1085 HydrophobicContact CZ-CB 3.65Å; T1081-N1085 PolarHBondContact O-N 3.43Å; T1081-N1085 PolarHBondContact O-ND2 3.2Å; I1082-N1085 CarbonylContact O-C 3.51Å; I1082-N1085 PolarHBondContact O-N 3.47Å; A1083-N1085 VanDerWaalsContact C-N 3.26Å; A1083-N1085 PolarHBondContact O-N 3.21Å; N1085-I1087 PolarHBondContact O-N 3.48Å; N1085-S1088 WeakPolarHBondContact O-CB 3.14Å; N1085-S1088 PolarHBondContact O-N 3.01Å; N1085-S1088 PolarHBondContact O-OG 2.97Å; N1085-I1093 HydrophobicContact CB-CG2 4.14Å
1086I82.7Confident83.3Confident1 Ų138.8 Ų38.81%0.00521%0.212CC..THydrogen-bonded Turntrans-59.9-31.1177.2-80.8167.8000112.2I1082 S1094 C1097 L1101 I1216 L1220I1082-I1086 HydrophobicContact CG2-CD1 3.9Å; I1082-I1086 HydrophobicContact CG2-CG1 3.98Å; I1082-I1086 WeakPolarHBondContact O-CG1 3.36Å; I1082-I1086 PolarHBondContact O-N 2.88Å; I1086-S1094 VanDerWaalsContact O-CB 3.3Å; I1086-S1094 WeakPolarHBondContact O-CB 3.44Å; I1086-S1094 PolarHBondContact O-OG 3.03Å; I1086-C1097 HydrophobicContact CG1-CB 3.96Å; I1086-L1101 HydrophobicContact CD1-CD2 3.82Å; I1086-I1216 HydrophobicContact CD1-CG2 4.06Å; I1086-L1220 HydrophobicContact CG2-CD2 3.66Å
1087I76.2Confident83.4Confident59 Ų5937.7 Ų37.730%0.30321%0.207SC..THydrogen-bonded Turntrans-105.327.9-177.7-33.3175.8000111.2V167 T168 N1085 T1219V167-I1087 HydrophobicContact CG1-CG2 3.66Å; T168-I1087 WeakPolarHBondContact OG1-CG2 3.41Å; N1085-I1087 PolarHBondContact O-N 3.48Å; I1087-T1219 HydrophobicContact CD1-CG2 3.38Å; I1087-T1219 HydrophobicContact CG1-CG2 3.76Å
1088S71.4Confident83.5Confident21 Ų2135 Ų3515%0.14719%0.194CC..  trans-61.4149.1175.859.50000111.9N1085 D1090 I1093 S1094N1085-S1088 WeakPolarHBondContact O-CB 3.14Å; N1085-S1088 PolarHBondContact O-N 3.01Å; N1085-S1088 PolarHBondContact O-OG 2.97Å; S1088-D1090 PolarHBondContact O-N 2.77Å; S1088-D1090 PolarHBondContact OG-O 2.88Å; S1088-I1093 WeakPolarHBondContact OG-CB 3.45Å; S1088-I1093 WeakPolarHBondContact OG-CG2 3.42Å; S1088-S1094 PolarHBondContact OG-N 3.18Å
1089L67.4Low83.6Confident172 Ų17236.7 Ų36.790%0.90121%0.205SC*.SBendtrans-62.6-32.4174.9-66.6170.7000112.4S1091L1089-S1091 PolarHBondContact O-N 2.98Å
1090D72.2Confident83.8Confident64 Ų6436.6 Ų36.634%0.34221%0.205SC..SBendtrans-77.3116.1173-169.6-29.3000109.9S1088 G1092 I1093 S1094S1088-D1090 PolarHBondContact O-N 2.77Å; S1088-D1090 PolarHBondContact OG-O 2.88Å; D1090-G1092 VanDerWaalsContact C-N 3.26Å; D1090-G1092 PolarHBondContact O-N 3.09Å; D1090-G1092 PolarHBondContact OD1-N 3.16Å; D1090-I1093 HydrophobicContact CB-CB 4.47Å; D1090-I1093 HydrophobicContact CB-CD1 3.91Å; D1090-I1093 HydrophobicContact CB-CG1 4.12Å; D1090-I1093 PolarHBondContact O-N 3.08Å; D1090-S1094 PolarHBondContact O-N 3.14Å
1091S77.6Confident84Confident53 Ų5332 Ų3237%0.37118%0.183SC..Hα-helixtrans-63.5-31.5-179.956.60000112.6L1089 I1093 S1094 E1095L1089-S1091 PolarHBondContact O-N 2.98Å; S1091-I1093 VanDerWaalsContact C-N 3.33Å; S1091-I1093 PolarHBondContact O-N 2.9Å; S1091-S1094 PolarHBondContact O-N 3.06Å; S1091-E1095 WeakPolarHBondContact O-CB 3.29Å; S1091-E1095 VanDerWaalsContact O-CG 3.25Å; S1091-E1095 WeakPolarHBondContact O-CG 3.2Å; S1091-E1095 PolarHBondContact O-N 3.18Å
1092G78.3Confident84.2Confident20 Ų2032.5 Ų32.521%0.20619%0.186CC..Hα-helixtrans-65.7-35.9179.700000112.5D1090 V1096D1090-G1092 VanDerWaalsContact C-N 3.26Å; D1090-G1092 PolarHBondContact O-N 3.09Å; D1090-G1092 PolarHBondContact OD1-N 3.16Å; G1092-V1096 WeakPolarHBondContact O-CG2 3.41Å; G1092-V1096 PolarHBondContact O-N 3.27Å
1093I84.8Confident84.3Confident8 Ų835.7 Ų35.74%0.04120%0.198CC..Hα-helixtrans-68.5-46.5175.6-63.5173.1000110P1046 A1049 L1050 F1053 N1085 S1088 D1090 S1091 E1095 V1096 C1097P1046-I1093 HydrophobicContact CB-CD1 3.77Å; A1049-I1093 HydrophobicContact CB-CD1 3.77Å; A1049-I1093 HydrophobicContact CB-CG1 4.24Å; L1050-I1093 HydrophobicContact CD2-CG1 3.89Å; L1050-I1093 HydrophobicContact CG-CG1 4.02Å; F1053-I1093 HydrophobicContact CD2-CG2 4.06Å; F1053-I1093 HydrophobicContact CE2-CG2 4.04Å; N1085-I1093 HydrophobicContact CB-CG2 4.14Å; S1088-I1093 WeakPolarHBondContact OG-CB 3.45Å; S1088-I1093 WeakPolarHBondContact OG-CG2 3.42Å; D1090-I1093 HydrophobicContact CB-CB 4.47Å; D1090-I1093 HydrophobicContact CB-CD1 3.91Å; D1090-I1093 HydrophobicContact CB-CG1 4.12Å; D1090-I1093 PolarHBondContact O-N 3.08Å; S1091-I1093 VanDerWaalsContact C-N 3.33Å; S1091-I1093 PolarHBondContact O-N 2.9Å; I1093-E1095 VanDerWaalsContact C-N 3.31Å; I1093-E1095 PolarHBondContact O-N 3.11Å; I1093-V1096 PolarHBondContact O-N 3.29Å; I1093-C1097 WeakPolarHBondContact O-CB 3.33Å; I1093-C1097 PolarHBondContact O-N 3.19Å; I1093-C1097 PolarHBondContact O-SG 3.38Å
1094S82.5Confident84.6Confident5 Ų534.9 Ų34.94%0.03519%0.191CC..Hα-helixtrans-58.1-43.1177.7-177.40000111.9I1086 S1088 D1090 S1091 C1097 C1098I1086-S1094 VanDerWaalsContact O-CB 3.3Å; I1086-S1094 WeakPolarHBondContact O-CB 3.44Å; I1086-S1094 PolarHBondContact O-OG 3.03Å; S1088-S1094 PolarHBondContact OG-N 3.18Å; D1090-S1094 PolarHBondContact O-N 3.14Å; S1091-S1094 PolarHBondContact O-N 3.06Å; S1094-C1097 PolarHBondContact O-N 3.41Å; S1094-C1098 PolarHBondContact O-N 3.46Å; S1094-C1098 PolarHBondContact O-SG 2.94Å
1095E88Confident84.9Confident81 Ų8130.6 Ų30.638%0.37917%0.168SC..Hα-helixtrans-60.2-52177.8-75.4170.9-165.500112.1S1091 I1093 C1097 C1098 V1099 C1231S1091-E1095 WeakPolarHBondContact O-CB 3.29Å; S1091-E1095 VanDerWaalsContact O-CG 3.25Å; S1091-E1095 WeakPolarHBondContact O-CG 3.2Å; S1091-E1095 PolarHBondContact O-N 3.18Å; I1093-E1095 VanDerWaalsContact C-N 3.31Å; I1093-E1095 PolarHBondContact O-N 3.11Å; E1095-C1097 VanDerWaalsContact C-N 3.35Å; E1095-C1097 PolarHBondContact O-N 2.82Å; E1095-C1098 WeakPolarHBondContact O-CB 3.17Å; E1095-C1098 PolarHBondContact O-N 3.1Å; E1095-V1099 WeakPolarHBondContact O-CG2 3.33Å; E1095-V1099 PolarHBondContact O-N 2.93Å; E1095-C1231 HydrophobicContact CG-CB 4.18Å
1096V89.7Confident85.3Confident27 Ų2731.1 Ų31.116%0.16417%0.171CC..Hα-helixtrans-64.6-39.3179.7-179.80000111.2F1053 E1057 G1092 I1093 C1098 V1099 C1100F1053-V1096 VanDerWaalsContact C-CG1 3.5Å; F1053-V1096 HydrophobicContact CB-CB 4.29Å; F1053-V1096 HydrophobicContact CB-CG1 3.57Å; E1057-V1096 HydrophobicContact CB-CG1 4.23Å; G1092-V1096 WeakPolarHBondContact O-CG2 3.41Å; G1092-V1096 PolarHBondContact O-N 3.27Å; I1093-V1096 PolarHBondContact O-N 3.29Å; V1096-C1098 VanDerWaalsContact C-N 3.34Å; V1096-C1098 PolarHBondContact O-N 3.42Å; V1096-V1099 PolarHBondContact O-N 3.5Å; V1096-C1100 PolarHBondContact O-N 3.46Å; V1096-C1100 PolarHBondContact O-SG 3.49Å
1097C91.5Very high85.5Confident0 Ų033.3 Ų33.30%018%0.181CC..Hα-helixtrans-59.5-42.2173.7-75.70000112.3I1082 I1086 I1093 S1094 E1095 V1099 C1100 L1101I1082-C1097 HydrophobicContact CG2-CB 4.16Å; I1086-C1097 HydrophobicContact CG1-CB 3.96Å; I1093-C1097 WeakPolarHBondContact O-CB 3.33Å; I1093-C1097 PolarHBondContact O-N 3.19Å; I1093-C1097 PolarHBondContact O-SG 3.38Å; S1094-C1097 PolarHBondContact O-N 3.41Å; E1095-C1097 VanDerWaalsContact C-N 3.35Å; E1095-C1097 PolarHBondContact O-N 2.82Å; C1097-V1099 VanDerWaalsContact C-N 3.35Å; C1097-C1100 WeakPolarHBondContact O-CB 3.36Å; C1097-C1100 PolarHBondContact O-N 3.23Å; C1097-L1101 WeakPolarHBondContact O-CB 3.21Å; C1097-L1101 PolarHBondContact O-N 3.29Å
1098C92Very high86.1Confident0 Ų030.5 Ų30.50%017%0.167CC..Hα-helixtrans-65.4-38.4176.9-69.30000112.1S1094 E1095 V1096 L1101 D1102 S1234 P1238S1094-C1098 PolarHBondContact O-N 3.46Å; S1094-C1098 PolarHBondContact O-SG 2.94Å; E1095-C1098 WeakPolarHBondContact O-CB 3.17Å; E1095-C1098 PolarHBondContact O-N 3.1Å; V1096-C1098 VanDerWaalsContact C-N 3.34Å; V1096-C1098 PolarHBondContact O-N 3.42Å; C1098-L1101 PolarHBondContact O-N 2.94Å; C1098-D1102 PolarHBondContact O-N 3.33Å; C1098-S1234 WeakPolarHBondContact CB-O 3.39Å; C1098-P1238 HydrophobicContact CB-CG 4.18Å
1099V93.1Very high86.9Confident40 Ų4029.6 Ų29.624%0.24216%0.16CC..Hα-helixtrans-66.5-44.7175.8177.10000110.9E1057 E1095 V1096 C1097 L1101 D1102 Y1103E1057-V1099 HydrophobicContact CG-CB 4.43Å; E1057-V1099 HydrophobicContact CG-CG1 3.74Å; E1095-V1099 WeakPolarHBondContact O-CG2 3.33Å; E1095-V1099 PolarHBondContact O-N 2.93Å; V1096-V1099 PolarHBondContact O-N 3.5Å; C1097-V1099 VanDerWaalsContact C-N 3.35Å; V1099-L1101 VanDerWaalsContact C-N 3.29Å; V1099-L1101 PolarHBondContact O-N 2.67Å; V1099-D1102 PolarHBondContact O-N 3.05Å; V1099-D1102 VanDerWaalsContact O-N 3.15Å; V1099-Y1103 HydrophobicContact CG1-CD2 3.86Å; V1099-Y1103 HydrophobicContact CG1-CE2 3.34Å; V1099-Y1103 VanDerWaalsContact O-CD2 3.29Å; V1099-Y1103 WeakPolarHBondContact O-CD2 3.42Å; V1099-Y1103 PolarHBondContact O-N 3.47Å
1100C93.6Very high87.8Confident0 Ų027.4 Ų27.40%014%0.144CC..Hα-helixtrans-54.3-48173.2-68.50000111.3E1057 L1060 I1082 V1096 C1097 D1102 Y1103 F1104E1057-C1100 VanDerWaalsContact CA-SG 3.52Å; E1057-C1100 PolarHBondContact N-SG 3.32Å; L1060-C1100 HydrophobicContact CD1-CB 3.78Å; L1060-C1100 WeakPolarHBondContact CD1-O 3.35Å; I1082-C1100 HydrophobicContact CD1-CB 3.8Å; I1082-C1100 HydrophobicContact CG1-CB 4.46Å; V1096-C1100 PolarHBondContact O-N 3.46Å; V1096-C1100 PolarHBondContact O-SG 3.49Å; C1097-C1100 WeakPolarHBondContact O-CB 3.36Å; C1097-C1100 PolarHBondContact O-N 3.23Å; C1100-D1102 VanDerWaalsContact C-N 3.33Å; C1100-D1102 PolarHBondContact O-N 2.9Å; C1100-Y1103 PolarHBondContact O-N 3.34Å; C1100-F1104 WeakPolarHBondContact O-CB 3.26Å; C1100-F1104 PolarHBondContact O-N 3.34Å
1101L92.7Very high88.4Confident0 Ų024.8 Ų24.80%013%0.13CC..Hα-helixtrans-65.8-34.6179.8-175.868.6000112.6L1079 I1082 I1086 C1097 C1098 V1099 S1105 I1216 L1220 P1238 L1242L1079-L1101 HydrophobicContact CD2-CD1 4.1Å; I1082-L1101 HydrophobicContact CG2-CB 4.34Å; I1086-L1101 HydrophobicContact CD1-CD2 3.82Å; C1097-L1101 WeakPolarHBondContact O-CB 3.21Å; C1097-L1101 PolarHBondContact O-N 3.29Å; C1098-L1101 PolarHBondContact O-N 2.94Å; V1099-L1101 VanDerWaalsContact C-N 3.29Å; V1099-L1101 PolarHBondContact O-N 2.67Å; L1101-S1105 VanDerWaalsContact O-CB 3.24Å; L1101-S1105 WeakPolarHBondContact O-CB 3.22Å; L1101-S1105 PolarHBondContact O-N 3.41Å; L1101-S1105 PolarHBondContact O-OG 2.85Å; L1101-I1216 HydrophobicContact CD1-CD1 4.15Å; L1101-I1216 HydrophobicContact CD1-CG2 4.08Å; L1101-I1216 HydrophobicContact CD2-CG2 3.36Å; L1101-I1216 HydrophobicContact CG-CG2 4.34Å; L1101-L1220 HydrophobicContact CD2-CD1 3.58Å; L1101-P1238 HydrophobicContact CB-CB 3.96Å; L1101-P1238 HydrophobicContact CB-CG 4.49Å; L1101-P1238 HydrophobicContact CD2-CB 3.58Å; L1101-P1238 HydrophobicContact CD2-CG 3.95Å; L1101-P1238 HydrophobicContact CG-CB 3.64Å; L1101-P1238 HydrophobicContact CG-CG 4.42Å; L1101-L1242 HydrophobicContact CD2-CD1 4.07Å
1102D93.2Very high88.7Confident13 Ų1322.7 Ų22.77%0.0712%0.115CC..Hα-helixtrans-64.8-49.5175.5-178.725.9000110.4C1098 V1099 C1100 F1104 S1105 T1106 R1237 P1238 R1289C1098-D1102 PolarHBondContact O-N 3.33Å; V1099-D1102 PolarHBondContact O-N 3.05Å; V1099-D1102 VanDerWaalsContact O-N 3.15Å; C1100-D1102 VanDerWaalsContact C-N 3.33Å; C1100-D1102 PolarHBondContact O-N 2.9Å; D1102-F1104 VanDerWaalsContact C-N 3.31Å; D1102-F1104 PolarHBondContact O-N 3.09Å; D1102-S1105 PolarHBondContact O-N 3.34Å; D1102-T1106 WeakPolarHBondContact O-CB 3.49Å; D1102-T1106 PolarHBondContact O-N 3Å; D1102-T1106 PolarHBondContact O-OG1 2.86Å; D1102-T1106 PolarHBondContact OD1-OG1 3.49Å; D1102-R1237 HydrophobicContact CB-CB 4.24Å; D1102-P1238 HydrophobicContact CB-CB 4.22Å; D1102-R1289 IonicContact OD1-CZ 3.5Å; D1102-R1289 IonicContact OD1-NH1 3.39Å; D1102-R1289 PolarHBondContact OD1-NH1 3.18Å; D1102-R1289 IonicContact OD1-NH2 3.44Å; D1102-R1289 PolarHBondContact OD1-NH2 3.49Å; D1102-R1289 IonicContact OD2-CZ 2.72Å; D1102-R1289 IonicContact OD2-NH1 3.59Å; D1102-R1289 PolarHBondContact OD2-NH1 3.16Å; D1102-R1289 IonicContact OD2-NH2 2.79Å
1103Y92.4Very high88.7Confident67 Ų6724.9 Ų24.926%0.26312%0.12SC..Hα-helixtrans-57.5-46.2176.4-70.7-51.6000111.9E1057 N1061 V1099 C1100 H1107E1057-Y1103 HydrophobicContact CG-CD2 4.36Å; E1057-Y1103 HydrophobicContact CG-CE2 3.97Å; N1061-Y1103 HydrophobicContact CB-CD1 4.17Å; N1061-Y1103 HydrophobicContact CB-CD2 3.92Å; N1061-Y1103 HydrophobicContact CB-CE1 3.95Å; N1061-Y1103 HydrophobicContact CB-CE2 3.65Å; N1061-Y1103 HydrophobicContact CB-CG 4.19Å; N1061-Y1103 VanDerWaalsContact CG-CZ 3.42Å; N1061-Y1103 WeakPolarHBondContact OD1-CE1 3.25Å; V1099-Y1103 HydrophobicContact CG1-CD2 3.86Å; V1099-Y1103 HydrophobicContact CG1-CE2 3.34Å; V1099-Y1103 VanDerWaalsContact O-CD2 3.29Å; V1099-Y1103 WeakPolarHBondContact O-CD2 3.42Å; V1099-Y1103 PolarHBondContact O-N 3.47Å; C1100-Y1103 PolarHBondContact O-N 3.34Å; Y1103-H1107 WeakPolarHBondContact O-CB 3.27Å; Y1103-H1107 PolarHBondContact O-N 3.21Å; Y1103-H1107 VanDerWaalsContact O-N 3.09Å
1104F91.7Very high88.4Confident4 Ų430.7 Ų30.72%0.01814%0.141CC..Hα-helixtrans-59-55.2177.8-168.2-80.7000112.1L1060 L1075 L1079 C1100 D1102 T1106 H1107 L1108 L1190 L1193L1060-F1104 HydrophobicContact CD2-CD2 4.09Å; L1075-F1104 HydrophobicContact CB-CZ 4.49Å; L1075-F1104 HydrophobicContact CD2-CE2 4.06Å; L1079-F1104 HydrophobicContact CD1-CE1 3.75Å; L1079-F1104 HydrophobicContact CD1-CZ 3.74Å; L1079-F1104 HydrophobicContact CD2-CD1 3.84Å; L1079-F1104 HydrophobicContact CD2-CD2 4.42Å; L1079-F1104 HydrophobicContact CD2-CE1 3.88Å; L1079-F1104 HydrophobicContact CD2-CE2 4.45Å; L1079-F1104 HydrophobicContact CD2-CG 4.12Å; L1079-F1104 HydrophobicContact CD2-CZ 4.19Å; L1079-F1104 HydrophobicContact CG-CE1 4.13Å; L1079-F1104 HydrophobicContact CG-CE2 4.34Å; L1079-F1104 HydrophobicContact CG-CZ 4.01Å; C1100-F1104 WeakPolarHBondContact O-CB 3.26Å; C1100-F1104 PolarHBondContact O-N 3.34Å; D1102-F1104 VanDerWaalsContact C-N 3.31Å; D1102-F1104 PolarHBondContact O-N 3.09Å; F1104-T1106 VanDerWaalsContact C-N 3.31Å; F1104-T1106 PolarHBondContact O-N 3.35Å; F1104-H1107 PolarHBondContact O-N 2.98Å; F1104-L1108 HydrophobicContact CE1-CD1 3.88Å; F1104-L1108 WeakPolarHBondContact O-CB 3.49Å; F1104-L1108 PolarHBondContact O-N 3.34Å; F1104-L1190 HydrophobicContact CE1-CD2 4.46Å; F1104-L1190 HydrophobicContact CE2-CD2 4.34Å; F1104-L1190 HydrophobicContact CZ-CD2 3.95Å; F1104-L1193 HydrophobicContact CE1-CD1 4.07Å; F1104-L1193 HydrophobicContact CZ-CD1 3.64Å
1105S89.6Confident87.9Confident1 Ų134.8 Ų34.81%0.00716%0.159CC..Hα-helixtrans-66.4-34.8-175.6-54.30000111.8L1101 D1102 L1108 F1109L1101-S1105 VanDerWaalsContact O-CB 3.24Å; L1101-S1105 WeakPolarHBondContact O-CB 3.22Å; L1101-S1105 PolarHBondContact O-N 3.41Å; L1101-S1105 PolarHBondContact O-OG 2.85Å; D1102-S1105 PolarHBondContact O-N 3.34Å; S1105-L1108 PolarHBondContact O-N 3.23Å; S1105-F1109 WeakPolarHBondContact O-CB 3.24Å; S1105-F1109 PolarHBondContact O-N 2.76Å
1106T90.8Very high86.9Confident17 Ų1733.4 Ų33.410%0.10415%0.153CC..Hα-helixtrans-66.2-44.3177.4-62.60000112.2D1102 F1104 F1109 K1110 L1284 R1289D1102-T1106 WeakPolarHBondContact O-CB 3.49Å; D1102-T1106 PolarHBondContact O-N 3Å; D1102-T1106 PolarHBondContact O-OG1 2.86Å; D1102-T1106 PolarHBondContact OD1-OG1 3.49Å; F1104-T1106 VanDerWaalsContact C-N 3.31Å; F1104-T1106 PolarHBondContact O-N 3.35Å; T1106-F1109 PolarHBondContact O-N 3.37Å; T1106-K1110 HydrophobicContact CG2-CD 4.3Å; T1106-K1110 WeakPolarHBondContact O-CB 3.4Å; T1106-K1110 WeakPolarHBondContact O-CG 3.41Å; T1106-K1110 PolarHBondContact O-N 3.17Å; T1106-L1284 HydrophobicContact CG2-CD1 3.89Å; T1106-R1289 PolarHBondContact OG1-NH2 2.8Å
1107H87.5Confident85.1Confident47 Ų4740.4 Ų40.422%0.21818%0.177CC..Hα-helixtrans-66.5-42.7177.9-174.1-89.6000111I1064 Y1103 F1104 F1109 K1110 L1111 L1190I1064-H1107 HydrophobicContact CD1-CB 3.49Å; I1064-H1107 VanDerWaalsContact CD1-CB 3.49Å; I1064-H1107 HydrophobicContact CG1-CB 4.36Å; I1064-H1107 HydrophobicContact CG2-CB 4.32Å; I1064-H1107 WeakPolarHBondContact CG2-CD2 3.38Å; Y1103-H1107 WeakPolarHBondContact O-CB 3.27Å; Y1103-H1107 PolarHBondContact O-N 3.21Å; Y1103-H1107 VanDerWaalsContact O-N 3.09Å; F1104-H1107 PolarHBondContact O-N 2.98Å; H1107-F1109 PolarHBondContact O-N 3.43Å; H1107-K1110 PolarHBondContact O-N 2.93Å; H1107-L1111 WeakPolarHBondContact O-CB 3.34Å; H1107-L1111 PolarHBondContact O-N 3.01Å; H1107-L1190 VanDerWaalsContact CE1-CD1 3.5Å; H1107-L1190 WeakPolarHBondContact CE1-CD1 3.29Å; H1107-L1190 WeakPolarHBondContact ND1-CD1 3.43Å
1108L88.1Confident83Confident1 Ų144.4 Ų44.41%0.00520%0.203CC..Hα-helixtrans-62.2-42.7176.6-169.1154.2000111.4F1104 S1105 L1111 V1112 L1190 L1193 L1194 L1213 L1245F1104-L1108 HydrophobicContact CE1-CD1 3.88Å; F1104-L1108 WeakPolarHBondContact O-CB 3.49Å; F1104-L1108 PolarHBondContact O-N 3.34Å; S1105-L1108 PolarHBondContact O-N 3.23Å; L1108-L1111 WeakPolarHBondContact O-CB 3.43Å; L1108-L1111 PolarHBondContact O-N 3.47Å; L1108-V1112 HydrophobicContact CD2-CG2 4.43Å; L1108-V1112 WeakPolarHBondContact O-CG2 3.38Å; L1108-V1112 PolarHBondContact O-N 3.37Å; L1108-V1112 VanDerWaalsContact O-N 3.1Å; L1108-L1190 HydrophobicContact CD1-CD2 4.42Å; L1108-L1193 HydrophobicContact CD1-CD1 4.17Å; L1108-L1194 HydrophobicContact CD2-CD1 3.74Å; L1108-L1194 HydrophobicContact CD2-CD2 4.13Å; L1108-L1194 HydrophobicContact CD2-CG 4.22Å; L1108-L1194 HydrophobicContact CG-CD1 4.49Å; L1108-L1213 HydrophobicContact CD1-CD1 4.5Å; L1108-L1245 HydrophobicContact CD2-CD1 3.57Å; L1108-L1245 HydrophobicContact CD2-CD2 3.31Å; L1108-L1245 HydrophobicContact CD2-CG 4.05Å
1109F88Confident80.5Confident1 Ų149 Ų490%0.00424%0.235CC..Hα-helixtrans-61.1-48.2173178.4-90.6000113S1105 T1106 H1107 L1111 V1112 Q1113 L1134 L1244 L1245 L1284S1105-F1109 WeakPolarHBondContact O-CB 3.24Å; S1105-F1109 PolarHBondContact O-N 2.76Å; T1106-F1109 PolarHBondContact O-N 3.37Å; H1107-F1109 PolarHBondContact O-N 3.43Å; F1109-L1111 PolarHBondContact O-N 3.45Å; F1109-V1112 PolarHBondContact O-N 2.98Å; F1109-Q1113 WeakPolarHBondContact O-CB 3.41Å; F1109-Q1113 PolarHBondContact O-N 3.28Å; F1109-L1134 HydrophobicContact CD2-CD2 3.89Å; F1109-L1134 HydrophobicContact CE2-CD1 4.15Å; F1109-L1134 HydrophobicContact CE2-CD2 3.91Å; F1109-L1244 HydrophobicContact CD2-CB 3.92Å; F1109-L1244 HydrophobicContact CE2-CB 3.62Å; F1109-L1244 HydrophobicContact CE2-CD1 4Å; F1109-L1244 HydrophobicContact CE2-CG 4.44Å; F1109-L1244 HydrophobicContact CZ-CD1 4.11Å; F1109-L1245 HydrophobicContact CB-CD2 4.12Å; F1109-L1245 HydrophobicContact CB-CG 4.27Å; F1109-L1245 HydrophobicContact CD2-CD2 4.25Å; F1109-L1245 HydrophobicContact CD2-CG 4.31Å; F1109-L1284 HydrophobicContact CB-CD1 3.76Å; F1109-L1284 HydrophobicContact CD1-CD1 3.36Å; F1109-L1284 HydrophobicContact CD1-CG 3.63Å; F1109-L1284 HydrophobicContact CE1-CD1 4.15Å; F1109-L1284 HydrophobicContact CE1-CG 3.9Å; F1109-L1284 HydrophobicContact CG-CD1 3.67Å; F1109-L1284 HydrophobicContact CG-CG 4.19Å
1110K87.1Confident77.7Confident126 Ų12655.9 Ų55.955%0.54826%0.256SS..Hα-helixtrans-59.6-37.3178.1-76.4176-179.9176.10111.8T1106 H1107 R1114T1106-K1110 HydrophobicContact CG2-CD 4.3Å; T1106-K1110 WeakPolarHBondContact O-CB 3.4Å; T1106-K1110 WeakPolarHBondContact O-CG 3.41Å; T1106-K1110 PolarHBondContact O-N 3.17Å; H1107-K1110 PolarHBondContact O-N 2.93Å; K1110-R1114 PolarHBondContact O-N 2.94Å; K1110-R1114 VanDerWaalsContact O-N 3.1Å
1111L85.2Confident75Confident9 Ų962.1 Ų62.15%0.04730%0.295CS..Hα-helixtrans-64.1-53.1177.5-177.369.8000111.2H1107 L1108 F1109 Q1113 R1114 E1115 S1187 L1190 L1191H1107-L1111 WeakPolarHBondContact O-CB 3.34Å; H1107-L1111 PolarHBondContact O-N 3.01Å; L1108-L1111 WeakPolarHBondContact O-CB 3.43Å; L1108-L1111 PolarHBondContact O-N 3.47Å; F1109-L1111 PolarHBondContact O-N 3.45Å; L1111-Q1113 VanDerWaalsContact C-N 3.28Å; L1111-Q1113 PolarHBondContact O-N 3.3Å; L1111-R1114 VanDerWaalsContact CD1-NH2 3.33Å; L1111-R1114 WeakPolarHBondContact O-CB 3.11Å; L1111-R1114 PolarHBondContact O-N 3.48Å; L1111-E1115 PolarHBondContact O-N 2.93Å; L1111-E1115 VanDerWaalsContact O-N 3.07Å; L1111-S1187 WeakPolarHBondContact CD1-OG 3.28Å; L1111-S1187 WeakPolarHBondContact CD2-O 3.44Å; L1111-L1190 HydrophobicContact CD2-CB 3.68Å; L1111-L1190 HydrophobicContact CD2-CD1 4.18Å; L1111-L1191 HydrophobicContact CD2-CD1 4.46Å; L1111-L1191 HydrophobicContact CD2-CD2 4.14Å; L1111-L1191 HydrophobicContact CD2-CG 3.82Å; L1111-L1191 HydrophobicContact CG-CD2 4.37Å; L1111-L1191 HydrophobicContact CG-CG 4.39Å
1112V82.6Confident72.3Confident10 Ų1067.4 Ų67.46%0.06133%0.327CS..Hα-helixtrans-61-40179.3-179.40000111.1L1108 F1109 R1114 E1115 Q1116 L1134 L1191 L1194 L1245L1108-V1112 HydrophobicContact CD2-CG2 4.43Å; L1108-V1112 WeakPolarHBondContact O-CG2 3.38Å; L1108-V1112 PolarHBondContact O-N 3.37Å; L1108-V1112 VanDerWaalsContact O-N 3.1Å; F1109-V1112 PolarHBondContact O-N 2.98Å; V1112-R1114 PolarHBondContact O-N 3.12Å; V1112-E1115 PolarHBondContact O-N 3.02Å; V1112-Q1116 WeakPolarHBondContact O-CG 3.29Å; V1112-Q1116 PolarHBondContact O-N 3Å; V1112-L1134 HydrophobicContact CB-CD2 3.62Å; V1112-L1134 HydrophobicContact CG1-CB 4.13Å; V1112-L1134 HydrophobicContact CG1-CD2 3.36Å; V1112-L1134 HydrophobicContact CG1-CG 3.79Å; V1112-L1191 HydrophobicContact CG2-CD2 4.16Å; V1112-L1194 HydrophobicContact CG2-CD1 3.4Å; V1112-L1245 HydrophobicContact CG2-CD2 4.49Å
1113Q79.7Confident69.4Low66 Ų6674.6 Ų74.631%0.30837%0.365SS..Hα-helixtrans-61.6-32.2175.6-168.8177.337.400112.7F1109 L1111F1109-Q1113 WeakPolarHBondContact O-CB 3.41Å; F1109-Q1113 PolarHBondContact O-N 3.28Å; L1111-Q1113 VanDerWaalsContact C-N 3.28Å; L1111-Q1113 PolarHBondContact O-N 3.3Å
1114R77.3Confident66.6Low130 Ų13078.6 Ų78.649%0.49139%0.391SS..Hα-helixtrans-72.2-45.3176.1-171.1-176.571.7-167.3-1.4111.5K1110 L1111 V1112 Q1116 R1117 S1187K1110-R1114 PolarHBondContact O-N 2.94Å; K1110-R1114 VanDerWaalsContact O-N 3.1Å; L1111-R1114 VanDerWaalsContact CD1-NH2 3.33Å; L1111-R1114 WeakPolarHBondContact O-CB 3.11Å; L1111-R1114 PolarHBondContact O-N 3.48Å; V1112-R1114 PolarHBondContact O-N 3.12Å; R1114-Q1116 PolarHBondContact O-N 2.98Å; R1114-R1117 WeakPolarHBondContact O-CB 3.26Å; R1114-R1117 PolarHBondContact O-N 3.46Å; R1114-R1117 VanDerWaalsContact O-N 3.17Å; R1114-S1187 PolarHBondContact NH2-OG 3.44Å
1115E72Confident63.8Low90 Ų9085.3 Ų85.342%0.42143%0.428SS..Hα-helixtrans-65.5-21.2-179.1-63.3-55.1137.500113.2L1111 V1112 P1118 L1191L1111-E1115 PolarHBondContact O-N 2.93Å; L1111-E1115 VanDerWaalsContact O-N 3.07Å; V1112-E1115 PolarHBondContact O-N 3.02Å; E1115-P1118 WeakPolarHBondContact O-CD 3.46Å; E1115-L1191 HydrophobicContact CG-CD1 4.03Å; E1115-L1191 HydrophobicContact CG-CD2 4.41Å
1116Q67.3Low61Low53 Ų5393.1 Ų93.125%0.24847%0.469CS..THydrogen-bonded Turntrans-83.5-13.4175.4-69.5-177-3.700114.6V1112 R1114 P1118V1112-Q1116 WeakPolarHBondContact O-CG 3.29Å; V1112-Q1116 PolarHBondContact O-N 3Å; R1114-Q1116 PolarHBondContact O-N 2.98Å; Q1116-P1118 VanDerWaalsContact C-CD 3.44Å
1117R52.7Low58.2Low174 Ų174102.8 Ų102.866%0.65751%0.506SS*.G310 helixtrans-66.2-34.3-179.5-72.5-178.9179.3174.8-0.3115.5R1114 S1119 R1120R1114-R1117 WeakPolarHBondContact O-CB 3.26Å; R1114-R1117 PolarHBondContact O-N 3.46Å; R1114-R1117 VanDerWaalsContact O-N 3.17Å; R1117-S1119 PolarHBondContact O-N 3.32Å; R1117-R1120 PolarHBondContact O-N 3.12Å
1118P45.9Very low55.5Low84 Ų84107.9 Ų107.955%0.54553%0.534SS..G310 helixtrans-61.1-27-178.7-2232.7000114E1115 Q1116 R1120E1115-P1118 WeakPolarHBondContact O-CD 3.46Å; Q1116-P1118 VanDerWaalsContact C-CD 3.44Å; P1118-R1120 PolarHBondContact O-N 3.18Å
1119S40.1Very low52.7Low97 Ų97115.1 Ų115.168%0.67857%0.573SS**G310 helixtrans-68.8-3.1-177.7-39.30000114.7R1117R1117-S1119 PolarHBondContact O-N 3.32Å
1120R34.5Very low49.9Very low183 Ų183122.1 Ų122.169%0.69161%0.61SS**G310 helixtrans-97.1-2.9-175.3-73.6-174.4174.1-175.9-2.7115.9R1117 P1118R1117-R1120 PolarHBondContact O-N 3.12Å; P1118-R1120 PolarHBondContact O-N 3.18Å
1121T37.2Very low47.4Very low131 Ų131119 Ų11980%0.80461%0.605SS**SBendtrans-106.26.5-175.251.70000116.3
1122T35Very low44.9Very low112 Ų112122.5 Ų122.569%0.68762%0.623SS**SBendtrans-123.5119.4170.144.30000111.5
1123N33.5Very low43.3Very low163 Ų163127.4 Ų127.487%0.87264%0.641SS**  trans79106.4166.8-64.4-16.4000118.4
1124N32.4Very low41.9Very low151 Ų151125.2 Ų125.281%0.80763%0.631SS**  trans-45.7150.9155-77.1-29.8000112.2
1125N33.6Very low40.4Very low146 Ų146120.1 Ų120.178%0.78161%0.614SS**  trans86.475.9166.2-52.4-21.2000116.3
1126N31.5Very low39.2Very low165 Ų165119.4 Ų119.488%0.88261%0.613SS**  -172.187.3129.8-97.6-17000110N1128N1126-N1128 PolarHBondContact O-N 3.18Å; N1126-N1128 VanDerWaalsContact O-N 3.15Å
1127Y31.4Very low38Very low220 Ų220121.3 Ų121.386%0.86363%0.628SS**THydrogen-bonded Turntrans-70.2100.2161.3-84.3-89.7000107.5
1128N30.6Very low37.1Very low153 Ų153118.9 Ų118.982%0.81863%0.628SS**THydrogen-bonded Turntrans-175.74.4145.8-95.3-9.5000117.4N1126N1126-N1128 PolarHBondContact O-N 3.18Å; N1126-N1128 VanDerWaalsContact O-N 3.15Å
1129N29Very low36.4Very low154 Ų154120.7 Ų120.782%0.82463%0.633SS**  trans-11483170.8-77.2-6000111.1
1130N29.9Very low35.9Very low147 Ų147121.2 Ų121.279%0.78664%0.637SS**  trans-93.211.4177.9-104.8-0.3000114.2L1132N1130-L1132 PolarHBondContact O-N 3.07Å; N1130-L1132 VanDerWaalsContact O-N 3.17Å
1131S34.4Very low35.6Very low62 Ų62117.9 Ų117.943%0.43463%0.633SS.*  trans-8586.7174.260.80000110.5Y1133S1131-Y1133 WeakPolarHBondContact O-CD2 3.18Å; S1131-Y1133 PolarHBondContact O-N 3.41Å; S1131-Y1133 WeakPolarHBondContact OG-CE2 3.45Å
1132L32.6Very low35.1Very low81 Ų81119.7 Ų119.742%0.42464%0.637SS.*  trans-70.288.2170.9-74162.3000109.5N1130 L1134N1130-L1132 PolarHBondContact O-N 3.07Å; N1130-L1132 VanDerWaalsContact O-N 3.17Å; L1132-L1134 PolarHBondContact O-N 3.45Å
1133Y48Very low34.6Very low114 Ų114122.7 Ų122.745%0.44765%0.645SS.*  trans-76.1120171.9-60.3-65.6000109.4S1131S1131-Y1133 WeakPolarHBondContact O-CD2 3.18Å; S1131-Y1133 PolarHBondContact O-N 3.41Å; S1131-Y1133 WeakPolarHBondContact OG-CE2 3.45Å
1134L50.9Low34.2Very low19 Ų19121.5 Ų121.510%0.09964%0.638CS.*SBendtrans-75.8-24.7-175.6-91.498000114.3F1109 V1112 L1132 L1245F1109-L1134 HydrophobicContact CD2-CD2 3.89Å; F1109-L1134 HydrophobicContact CE2-CD1 4.15Å; F1109-L1134 HydrophobicContact CE2-CD2 3.91Å; V1112-L1134 HydrophobicContact CB-CD2 3.62Å; V1112-L1134 HydrophobicContact CG1-CB 4.13Å; V1112-L1134 HydrophobicContact CG1-CD2 3.36Å; V1112-L1134 HydrophobicContact CG1-CG 3.79Å; L1132-L1134 PolarHBondContact O-N 3.45Å; L1134-L1245 HydrophobicContact CD2-CD2 4.19Å
1135I46.8Very low34Very low24 Ų24117.5 Ų117.512%0.12363%0.633CS.*SBendtrans-132.3105.5174.1-57.7169.9000106.1L1194 L1245I1135-L1194 HydrophobicContact CD1-CD2 3.74Å; I1135-L1194 HydrophobicContact CG1-CD2 4.31Å; I1135-L1245 WeakPolarHBondContact CD1-O 3.33Å; I1135-L1245 VanDerWaalsContact CG1-O 3.29Å; I1135-L1245 WeakPolarHBondContact CG1-O 3.49Å
1136D45.8Very low33.7Very low75 Ų75117.4 Ų117.440%0.40163%0.633SS.*  trans-109.5107.1176.8-164.3-7.7000108.7N1138D1136-N1138 PolarHBondContact O-N 3.3Å; D1136-N1138 PolarHBondContact OD1-N 3.36Å
1137V42Very low33.5Very low93 Ų93117.2 Ų117.256%0.56463%0.632SS**THydrogen-bonded Turntrans-70.1-16.5-174.8-179.30000111.6
1138N34.6Very low33.3Very low123 Ų123114.6 Ų114.666%0.65863%0.627SS**THydrogen-bonded Turntrans-98.33.6-170-76.9-13.2000115.7D1136 S1140D1136-N1138 PolarHBondContact O-N 3.3Å; D1136-N1138 PolarHBondContact OD1-N 3.36Å; N1138-S1140 PolarHBondContact O-N 3.33Å
1139N30Very low33.2Very low121 Ų121114.8 Ų114.865%0.64763%0.628SS**  trans-99.275.2-178.9-109.9-17000112.7N1141N1139-N1141 VanDerWaalsContact C-N 3.26Å
1140S30.5Very low33.1Very low109 Ų109114.3 Ų114.376%0.76263%0.63SS**  trans-83.25165.451.50000113.7N1138N1138-S1140 PolarHBondContact O-N 3.33Å
1141N27.5Very low32.9Very low113 Ų113114.5 Ų114.560%0.60463%0.631SS**  trans-95.310.2-168.4-77.8-23.8000116.6N1139 M1143N1139-N1141 VanDerWaalsContact C-N 3.26Å; N1141-M1143 PolarHBondContact O-N 2.98Å; N1141-M1143 VanDerWaalsContact O-N 3.13Å
1142L26.1Very low32.5Very low169 Ų169116 Ų11689%0.88564%0.642SS**THydrogen-bonded Turntrans-81.421.5179.5-144.585.3000115.2
1143M25.4Very low32.2Very low174 Ų174119.4 Ų119.486%0.85766%0.661SS**THydrogen-bonded Turntrans-134.14.7177-75-62.7-17200116.1N1141 G1145N1141-M1143 PolarHBondContact O-N 2.98Å; N1141-M1143 VanDerWaalsContact O-N 3.13Å; M1143-G1145 VanDerWaalsContact C-N 3.32Å; M1143-G1145 PolarHBondContact O-N 3.43Å; M1143-G1145 VanDerWaalsContact O-N 3.13Å
1144N26.1Very low31.2Very low138 Ų138122 Ų12274%0.73868%0.682SS**  trans-9073.6172-73.5-12.3000109.9D1146N1144-D1146 PolarHBondContact O-N 3.27Å
1145G26.4Very low29.9Very low68 Ų68128.3 Ų128.370%0.70172%0.716SS**  trans-66.3116.2161.900000108.6M1143 N1147M1143-G1145 VanDerWaalsContact C-N 3.32Å; M1143-G1145 PolarHBondContact O-N 3.43Å; M1143-G1145 VanDerWaalsContact O-N 3.13Å; G1145-N1147 PolarHBondContact O-N 3.02Å
1146D27.6Very low28.9Very low144 Ų144134 Ų13477%0.7775%0.746SS**  trans-49.3127.9-177.5-78.9-47.8000112.4N1144 H1148N1144-D1146 PolarHBondContact O-N 3.27Å; D1146-H1148 VanDerWaalsContact C-N 3.35Å; D1146-H1148 PolarHBondContact O-N 2.93Å
1147N27.3Very low27.9Very low161 Ų161138 Ų13886%0.86177%0.768SS**  trans-57.392.1169.4-70-45.9000109.7G1145G1145-N1147 PolarHBondContact O-N 3.02Å
1148H27.2Very low27.2Very low164 Ų164139.8 Ų139.876%0.75978%0.779SS**  trans-92.8116.8159.5-88.1-59.1000109.4D1146 V1150D1146-H1148 VanDerWaalsContact C-N 3.35Å; D1146-H1148 PolarHBondContact O-N 2.93Å; H1148-V1150 PolarHBondContact O-N 3.25Å
1149D28.3Very low26.8Very low157 Ų157141.4 Ų141.484%0.8479%0.788SS**  trans-35.9112.5-178.4-67-54000114.5N1151D1149-N1151 PolarHBondContact O-N 3.47Å
1150V27.1Very low26.5Very low145 Ų145143.5 Ų143.588%0.87979%0.794SS**  trans-81.5102168.5176.60000108.2H1148H1148-V1150 PolarHBondContact O-N 3.25Å
1151N26.8Very low26.4Very low151 Ų151146.6 Ų146.681%0.80780%0.8SS**  trans-101.4119.1164-119.6-9.7000109.8D1149D1149-N1151 PolarHBondContact O-N 3.47Å
1152S24.9Very low26.3Very low93 Ų93148.5 Ų148.565%0.6581%0.81SS**  trans58.5117.1152.862.20000120.7
1153N26.1Very low26.4Very low153 Ų153144 Ų14482%0.81880%0.797SS**  trans53.2103.5136.9-64.9-10.9000118.3
1154D27.9Very low26.5Very low169 Ų169141 Ų14190%0.90479%0.791SS**  -154.4131.5119.6-99.1-29.2000111.7
1155N24Very low26.7Very low150 Ų150142.8 Ų142.880%0.80279%0.794SS**  trans-74.1151179.9-86.5-38.2000111.3
1156N24.8Very low27Very low143 Ų143146.3 Ų146.377%0.76580%0.796SS**  trans70.390.9161.5-60.1-19.1000116.7
1157N26.1Very low27Very low160 Ų160146.4 Ų146.486%0.85680%0.795SS**  -160.5139.3120.9-91.9-28.5000110.8N1159N1157-N1159 PolarHBondContact O-N 2.83Å
1158T26.5Very low27.5Very low130 Ų130145.5 Ų145.580%0.79879%0.79SS**  trans-48.9119.7-176.943.60000113.8H1160T1158-H1160 PolarHBondContact O-N 3.38Å
1159N25.5Very low27.7Very low157 Ų157145 Ų14584%0.8479%0.793SS**  trans-64.792.9171.8-75-23.2000111.4N1157N1157-N1159 PolarHBondContact O-N 2.83Å
1160H25.2Very low28.1Very low166 Ų166143 Ų14377%0.76978%0.778SS**  trans-83.4103.5147.2-94.2-77.2000107.4T1158 L1162T1158-H1160 PolarHBondContact O-N 3.38Å; H1160-L1162 PolarHBondContact O-N 2.93Å
1161L28.2Very low28.4Very low173 Ų173139.6 Ų139.691%0.90677%0.772SS**  trans-58.996.7167.5-82.8151.1000109.2A1163L1161-A1163 PolarHBondContact O-N 3.29Å
1162L24.6Very low29.3Very low153 Ų153134.3 Ų134.380%0.80175%0.753SS**  trans-85.693.4168.3-87.4141.6000108.7H1160H1160-L1162 PolarHBondContact O-N 2.93Å
1163A27.6Very low30.5Very low75 Ų75134 Ų13462%0.6276%0.757SS**  trans-81.4116.9147.200000106.3L1161 H1165L1161-A1163 PolarHBondContact O-N 3.29Å; A1163-H1165 VanDerWaalsContact C-N 3.31Å; A1163-H1165 PolarHBondContact O-N 2.9Å
1164P29.3Very low32Very low111 Ų111130.3 Ų130.372%0.72174%0.743SS**  trans-76.888.3-177.431.1-30.3000107.9I1166P1164-I1166 PolarHBondContact O-N 2.98Å
1165H29.3Very low33.5Very low175 Ų175124.9 Ų124.981%0.8171%0.714SS**  trans-57.6109.4156.2-72.6-71000105.9A1163 L1167A1163-H1165 VanDerWaalsContact C-N 3.31Å; A1163-H1165 PolarHBondContact O-N 2.9Å; H1165-L1167 PolarHBondContact O-N 3.45Å
1166I32.1Very low35.2Very low143 Ų143123.2 Ų123.273%0.73370%0.701SS**  trans-58.297.6168.2-62.4173.1000105.3P1164 L1168P1164-I1166 PolarHBondContact O-N 2.98Å; I1166-L1168 HydrophobicContact CG2-CG 4.01Å; I1166-L1168 PolarHBondContact O-N 3.19Å
1167L29Very low37.3Very low146 Ų146118.7 Ų118.776%0.76468%0.683SS**  trans-60.976.9157.4-125.4141.6000104.4H1165 D1169H1165-L1167 PolarHBondContact O-N 3.45Å; L1167-D1169 PolarHBondContact O-N 3.02Å
1168L36.3Very low39.6Very low142 Ų142113.1 Ų113.174%0.74366%0.655SS**  trans-51.9120.1166.5-93.5163.4000104.5I1166 Q1170I1166-L1168 HydrophobicContact CG2-CG 4.01Å; I1166-L1168 PolarHBondContact O-N 3.19Å; L1168-Q1170 VanDerWaalsContact C-N 3.27Å; L1168-Q1170 PolarHBondContact O-N 2.86Å
1169D32.3Very low42.4Very low154 Ų154108.1 Ų108.182%0.82462%0.622SS**  trans-30.495.6177-95.9-38.5000109.5L1167 G1171L1167-D1169 PolarHBondContact O-N 3.02Å; D1169-G1171 PolarHBondContact O-N 2.95Å
1170Q36.7Very low44.9Very low115 Ų115102.4 Ų102.454%0.53759%0.594SS.*  trans-6914.9168.2-92.7-163.55.800109.8L1168 G1172 N1175L1168-Q1170 VanDerWaalsContact C-N 3.27Å; L1168-Q1170 PolarHBondContact O-N 2.86Å; Q1170-G1172 PolarHBondContact O-N 3.42Å; Q1170-N1175 WeakPolarHBondContact CB-OD1 3.32Å; Q1170-N1175 WeakPolarHBondContact CG-OD1 3.41Å; Q1170-N1175 PolarHBondContact O-ND2 3.43Å; Q1170-N1175 PolarHBondContact O-OD1 3.03Å; Q1170-N1175 PolarHBondContact OE1-ND2 3.5Å; Q1170-N1175 PolarHBondContact OE1-OD1 3.3Å
1171G32.5Very low47.6Very low72 Ų72100.4 Ų100.474%0.74259%0.593SS**  trans-72.887.2169.900000110.3D1169D1169-G1171 PolarHBondContact O-N 2.95Å
1172G45.9Very low50.3Low40 Ų4094.1 Ų94.141%0.41256%0.558SS.*SBendtrans167177171.400000113.8Q1170 S1174 N1175Q1170-G1172 PolarHBondContact O-N 3.42Å; G1172-S1174 PolarHBondContact O-N 3.5Å; G1172-N1175 PolarHBondContact O-N 3.29Å
1173A50.7Low53.2Low88 Ų8888.3 Ų88.373%0.72753%0.532SS*.G310 helixtrans-57.8-15.9178.400000113.9N1175 H1176A1173-N1175 VanDerWaalsContact C-N 3.29Å; A1173-N1175 PolarHBondContact O-N 2.96Å; A1173-H1176 PolarHBondContact O-N 3.02Å; A1173-H1176 VanDerWaalsContact O-N 3.17Å
1174S58.5Low55.8Low75 Ų7590.1 Ų90.152%0.52454%0.535SS..G310 helixtrans-63.8-27.517752.70000114.1G1172 H1176 A1177G1172-S1174 PolarHBondContact O-N 3.5Å; S1174-H1176 PolarHBondContact O-N 3.26Å; S1174-A1177 WeakPolarHBondContact O-CB 3.35Å; S1174-A1177 PolarHBondContact O-N 2.95Å; S1174-A1177 VanDerWaalsContact O-N 3.09Å
1175N58.5Low58.5Low55 Ų5587.2 Ų87.229%0.29452%0.518SS..G310 helixtrans-64.3-28174.6-92.112.4000113Q1170 G1172 A1173 A1177 S1180Q1170-N1175 WeakPolarHBondContact CB-OD1 3.32Å; Q1170-N1175 WeakPolarHBondContact CG-OD1 3.41Å; Q1170-N1175 PolarHBondContact O-ND2 3.43Å; Q1170-N1175 PolarHBondContact O-OD1 3.03Å; Q1170-N1175 PolarHBondContact OE1-ND2 3.5Å; Q1170-N1175 PolarHBondContact OE1-OD1 3.3Å; G1172-N1175 PolarHBondContact O-N 3.29Å; A1173-N1175 VanDerWaalsContact C-N 3.29Å; A1173-N1175 PolarHBondContact O-N 2.96Å; N1175-A1177 VanDerWaalsContact C-N 3.35Å; N1175-S1180 PolarHBondContact O-OG 3.12Å
1176H58.6Low61.3Low115 Ų11579 Ų7953%0.53248%0.479SS..G310 helixtrans-93.44.8177.4-56.6-64.9000112.6A1173 S1174A1173-H1176 PolarHBondContact O-N 3.02Å; A1173-H1176 VanDerWaalsContact O-N 3.17Å; S1174-H1176 PolarHBondContact O-N 3.26Å
1177A69.2Low63.9Low48 Ų4873 Ų7340%0.39745%0.45SS..SBendtrans-65.3139.9172.800000110S1174 N1175 W1179 S1180S1174-A1177 WeakPolarHBondContact O-CB 3.35Å; S1174-A1177 PolarHBondContact O-N 2.95Å; S1174-A1177 VanDerWaalsContact O-N 3.09Å; N1175-A1177 VanDerWaalsContact C-N 3.35Å; A1177-W1179 PolarHBondContact O-N 3.21Å; A1177-S1180 WeakPolarHBondContact O-CB 3.35Å; A1177-S1180 PolarHBondContact O-N 3.33Å; A1177-S1180 VanDerWaalsContact O-N 3.08Å; A1177-S1180 PolarHBondContact O-OG 3.17Å
1178V76.2Confident66.5Low43 Ų4368.9 Ų68.926%0.26143%0.434SS..THydrogen-bonded Turntrans-58.4129177.9-170.20000108.6F1012 L1023F1012-V1178 HydrophobicContact CB-CG1 4.3Å; F1012-V1178 HydrophobicContact CB-CG2 3.77Å; L1023-V1178 HydrophobicContact CD2-CG1 3.72Å
1179W84.9Confident68.9Low25 Ų2563.1 Ų63.110%0.09540%0.404CS..THydrogen-bonded Turntrans71.315.8-176.4-41.6118.7000117L1023 E1024 M1027 H1063 I1065 F1066 A1177 T1181 R1182 A1183L1023-W1179 HydrophobicContact CD1-CZ2 4.46Å; L1023-W1179 HydrophobicContact CD2-CH2 4.12Å; L1023-W1179 HydrophobicContact CD2-CZ2 3.69Å; L1023-W1179 HydrophobicContact CG-CH2 3.91Å; L1023-W1179 HydrophobicContact CG-CZ2 3.71Å; E1024-W1179 HydrophobicContact CB-CH2 4.09Å; E1024-W1179 HydrophobicContact CB-CZ3 4.09Å; E1024-W1179 HydrophobicContact CG-CH2 4.47Å; E1024-W1179 HydrophobicContact CG-CZ3 4.14Å; M1027-W1179 HydrophobicContact CG-CH2 4.28Å; M1027-W1179 HydrophobicContact CG-CZ2 3.99Å; H1063-W1179 AromaticContact CG-NE1 3.95Å; H1063-W1179 AromaticContact ND1-NE1 3.47Å; H1063-W1179 PolarHBondContact ND1-NE1 3.31Å; I1065-W1179 HydrophobicContact CB-CB 4.13Å; I1065-W1179 HydrophobicContact CG2-CB 3.74Å; F1066-W1179 HydrophobicContact CB-CD2 3.9Å; F1066-W1179 HydrophobicContact CB-CE3 4.42Å; F1066-W1179 HydrophobicContact CB-CG 4.21Å; F1066-W1179 HydrophobicContact CB-CZ2 4.11Å; F1066-W1179 HydrophobicContact CD2-CD2 4.13Å; F1066-W1179 AromaticContact CD2-CE3 3.81Å; F1066-W1179 HydrophobicContact CD2-CE3 3.81Å; F1066-W1179 AromaticContact CD2-CH2 3.52Å; F1066-W1179 HydrophobicContact CD2-CH2 3.52Å; F1066-W1179 AromaticContact CD2-CZ2 3.86Å; F1066-W1179 HydrophobicContact CD2-CZ2 3.86Å; F1066-W1179 AromaticContact CD2-CZ3 3.5Å; F1066-W1179 HydrophobicContact CD2-CZ3 3.5Å; F1066-W1179 VanDerWaalsContact CD2-CZ3 3.5Å; F1066-W1179 AromaticContact CE2-CH2 4Å; F1066-W1179 HydrophobicContact CE2-CH2 4Å; F1066-W1179 HydrophobicContact CE2-CZ3 4.03Å; F1066-W1179 HydrophobicContact CG-CD2 4.48Å; F1066-W1179 HydrophobicContact CG-CH2 4.27Å; F1066-W1179 HydrophobicContact CG-CZ2 4.15Å; F1066-W1179 HydrophobicContact CG-CZ3 4.48Å; A1177-W1179 PolarHBondContact O-N 3.21Å; W1179-T1181 PolarHBondContact O-N 2.9Å; W1179-T1181 VanDerWaalsContact O-N 3.16Å; W1179-R1182 HydrophobicContact CB-CB 4.45Å; W1179-R1182 PolarHBondContact O-N 3.43Å; W1179-A1183 PolarHBondContact O-N 2.99Å
1180S78.2Confident71.4Confident37 Ų3755.9 Ų55.926%0.25937%0.365SS..G310 helixtrans-52-38.717861.40000113.4N1175 A1177 R1182 A1183N1175-S1180 PolarHBondContact O-OG 3.12Å; A1177-S1180 WeakPolarHBondContact O-CB 3.35Å; A1177-S1180 PolarHBondContact O-N 3.33Å; A1177-S1180 VanDerWaalsContact O-N 3.08Å; A1177-S1180 PolarHBondContact O-OG 3.17Å; S1180-R1182 VanDerWaalsContact C-N 3.31Å; S1180-R1182 PolarHBondContact O-N 3.31Å; S1180-A1183 WeakPolarHBondContact O-CB 3.35Å; S1180-A1183 PolarHBondContact O-N 3.4Å
1181T81.3Confident73.6Confident123 Ų12352.3 Ų52.376%0.75535%0.349SS*.G310 helixtrans-68.6-24.7177.756.40000114.1W1179W1179-T1181 PolarHBondContact O-N 2.9Å; W1179-T1181 VanDerWaalsContact O-N 3.16Å
1182R84.9Confident76Confident42 Ų4251 Ų5116%0.15833%0.326CS..G310 helixtrans-94.8-10.1-179-74.6176.1172.1-123.27.2112.6E1024 E1028 I1065 F1066 S1069 W1179 S1180 T1184 S1185 A1186E1024-R1182 IonicContact OE1-CZ 2.74Å; E1024-R1182 VanDerWaalsContact OE1-CZ 3.27Å; E1024-R1182 IonicContact OE1-NE 3.33Å; E1024-R1182 PolarHBondContact OE1-NE 3.17Å; E1024-R1182 IonicContact OE1-NH2 2.66Å; E1024-R1182 PolarHBondContact OE1-NH2 3.44Å; E1028-R1182 IonicContact OE1-NH2 3.27Å; I1065-R1182 HydrophobicContact CG2-CB 4.4Å; F1066-R1182 VanDerWaalsContact CE2-CZ 3.45Å; S1069-R1182 WeakPolarHBondContact OG-CD 3.43Å; S1069-R1182 PolarHBondContact OG-NH1 3.42Å; W1179-R1182 HydrophobicContact CB-CB 4.45Å; W1179-R1182 PolarHBondContact O-N 3.43Å; S1180-R1182 VanDerWaalsContact C-N 3.31Å; S1180-R1182 PolarHBondContact O-N 3.31Å; R1182-T1184 VanDerWaalsContact C-N 3.33Å; R1182-T1184 PolarHBondContact O-N 3.34Å; R1182-S1185 PolarHBondContact O-N 2.94Å; R1182-A1186 VanDerWaalsContact O-CB 3.28Å; R1182-A1186 WeakPolarHBondContact O-CB 3.37Å; R1182-A1186 PolarHBondContact O-N 3.23Å
1183A84.9Confident77.6Confident31 Ų3149.3 Ų49.326%0.25631%0.307SS..Hα-helixtrans-60.7-36.4-173.400000114.2I1065 W1179 S1180 S1187I1065-A1183 HydrophobicContact CG2-CB 4.27Å; W1179-A1183 PolarHBondContact O-N 2.99Å; S1180-A1183 WeakPolarHBondContact O-CB 3.35Å; S1180-A1183 PolarHBondContact O-N 3.4Å; A1183-S1187 WeakPolarHBondContact O-CB 3.28Å; A1183-S1187 PolarHBondContact O-N 3.12Å; A1183-S1187 PolarHBondContact O-OG 2.84Å
1184T82.9Confident78.8Confident112 Ų11245.9 Ų45.969%0.68728%0.276SS*.Hα-helixtrans-68.5-49.2177.249.90000111.4R1182 S1187 S1188R1182-T1184 VanDerWaalsContact C-N 3.33Å; R1182-T1184 PolarHBondContact O-N 3.34Å; T1184-S1187 PolarHBondContact O-N 3.25Å; T1184-S1188 PolarHBondContact O-N 2.88Å
1185S86.3Confident79.2Confident51 Ų5147.7 Ų47.736%0.35728%0.278SS..Hα-helixtrans-59.1-47.1174.8176.60000111.6R1182 S1187 S1188 N1189R1182-S1185 PolarHBondContact O-N 2.94Å; S1185-S1187 VanDerWaalsContact C-N 3.34Å; S1185-S1187 PolarHBondContact O-N 2.92Å; S1185-S1188 PolarHBondContact O-N 3.49Å; S1185-N1189 VanDerWaalsContact O-CG 3.26Å; S1185-N1189 PolarHBondContact O-N 2.9Å; S1185-N1189 PolarHBondContact O-ND2 3.22Å; S1185-N1189 PolarHBondContact OG-ND2 3.33Å
1186A87Confident78.6Confident1 Ų150.4 Ų50.41%0.00830%0.298CS..Hα-helixtrans-57.6-45.3176.700000112.7I1065 A1068 R1182 N1189 L1190I1065-A1186 HydrophobicContact CG2-CB 3.87Å; I1065-A1186 VanDerWaalsContact O-CB 3.26Å; I1065-A1186 WeakPolarHBondContact O-CB 3.44Å; A1068-A1186 HydrophobicContact CB-CB 3.74Å; R1182-A1186 VanDerWaalsContact O-CB 3.28Å; R1182-A1186 WeakPolarHBondContact O-CB 3.37Å; R1182-A1186 PolarHBondContact O-N 3.23Å; A1186-N1189 PolarHBondContact O-N 3.01Å; A1186-L1190 WeakPolarHBondContact O-CB 3.5Å; A1186-L1190 WeakPolarHBondContact O-CG 3.23Å; A1186-L1190 PolarHBondContact O-N 3.37Å
1187S86.8Confident77.5Confident17 Ų1747.7 Ų47.712%0.11929%0.29CS..Hα-helixtrans-61.8-47.4176.5-60.50000110.5L1111 R1114 A1183 T1184 S1185 N1189 L1190 L1191L1111-S1187 WeakPolarHBondContact CD1-OG 3.28Å; L1111-S1187 WeakPolarHBondContact CD2-O 3.44Å; R1114-S1187 PolarHBondContact NH2-OG 3.44Å; A1183-S1187 WeakPolarHBondContact O-CB 3.28Å; A1183-S1187 PolarHBondContact O-N 3.12Å; A1183-S1187 PolarHBondContact O-OG 2.84Å; T1184-S1187 PolarHBondContact O-N 3.25Å; S1185-S1187 VanDerWaalsContact C-N 3.34Å; S1185-S1187 PolarHBondContact O-N 2.92Å; S1187-N1189 PolarHBondContact O-N 3.03Å; S1187-L1190 PolarHBondContact O-N 3.45Å; S1187-L1191 WeakPolarHBondContact O-CB 3.27Å; S1187-L1191 VanDerWaalsContact O-CG 3.24Å; S1187-L1191 WeakPolarHBondContact O-CG 3.47Å; S1187-L1191 PolarHBondContact O-N 2.83Å
1188S83.7Confident76Confident60 Ų6052.4 Ų52.442%0.4231%0.314SS..Hα-helixtrans-59.7-47.2178-170.70000112.2T1184 S1185 L1190 L1191 N1192T1184-S1188 PolarHBondContact O-N 2.88Å; S1185-S1188 PolarHBondContact O-N 3.49Å; S1188-L1190 PolarHBondContact O-N 2.97Å; S1188-L1191 PolarHBondContact O-N 2.98Å; S1188-N1192 WeakPolarHBondContact O-CB 3.49Å; S1188-N1192 PolarHBondContact O-N 3.37Å; S1188-N1192 PolarHBondContact O-ND2 3.28Å; S1188-N1192 PolarHBondContact O-OD1 2.74Å
1189N86Confident74.2Confident22 Ų2253.3 Ų53.312%0.11832%0.322CS..Hα-helixtrans-66.4-38.1-178-67.9-24000112.6A1068 S1069 G1071 L1075 S1185 A1186 S1187 N1192 L1193A1068-N1189 WeakPolarHBondContact O-CB 3.16Å; A1068-N1189 PolarHBondContact O-ND2 3.22Å; S1069-N1189 PolarHBondContact O-ND2 2.99Å; G1071-N1189 PolarHBondContact N-ND2 3.15Å; L1075-N1189 HydrophobicContact CD1-CB 4.4Å; S1185-N1189 VanDerWaalsContact O-CG 3.26Å; S1185-N1189 PolarHBondContact O-N 2.9Å; S1185-N1189 PolarHBondContact O-ND2 3.22Å; S1185-N1189 PolarHBondContact OG-ND2 3.33Å; A1186-N1189 PolarHBondContact O-N 3.01Å; S1187-N1189 PolarHBondContact O-N 3.03Å; N1189-N1192 WeakPolarHBondContact O-CB 3.24Å; N1189-N1192 PolarHBondContact O-N 3.38Å; N1189-L1193 PolarHBondContact O-N 3.47Å
1190L86Confident72Confident1 Ų160.1 Ų60.11%0.00536%0.36CS..Hα-helixtrans-68-40.2174.4-75.1168.3000111.9A1068 L1075 F1104 H1107 L1108 L1111 A1186 S1187 S1188 N1192 L1193A1068-L1190 HydrophobicContact CB-CD1 3.7Å; A1068-L1190 HydrophobicContact CB-CD2 4.21Å; A1068-L1190 HydrophobicContact CB-CG 3.7Å; L1075-L1190 HydrophobicContact CD1-CD2 3.97Å; L1075-L1190 HydrophobicContact CD1-CG 4.41Å; F1104-L1190 HydrophobicContact CE1-CD2 4.46Å; F1104-L1190 HydrophobicContact CE2-CD2 4.34Å; F1104-L1190 HydrophobicContact CZ-CD2 3.95Å; H1107-L1190 VanDerWaalsContact CE1-CD1 3.5Å; H1107-L1190 WeakPolarHBondContact CE1-CD1 3.29Å; H1107-L1190 WeakPolarHBondContact ND1-CD1 3.43Å; L1108-L1190 HydrophobicContact CD1-CD2 4.42Å; L1111-L1190 HydrophobicContact CD2-CB 3.68Å; L1111-L1190 HydrophobicContact CD2-CD1 4.18Å; A1186-L1190 WeakPolarHBondContact O-CB 3.5Å; A1186-L1190 WeakPolarHBondContact O-CG 3.23Å; A1186-L1190 PolarHBondContact O-N 3.37Å; S1187-L1190 PolarHBondContact O-N 3.45Å; S1188-L1190 PolarHBondContact O-N 2.97Å; L1190-N1192 VanDerWaalsContact C-N 3.29Å; L1190-N1192 PolarHBondContact O-N 3.2Å; L1190-L1193 HydrophobicContact CD2-CD1 4.15Å; L1190-L1193 VanDerWaalsContact O-CB 3.32Å; L1190-L1193 WeakPolarHBondContact O-CB 3.48Å; L1190-L1193 PolarHBondContact O-N 3.49Å
1191L83.5Confident70.3Confident40 Ų4063.8 Ų63.821%0.20939%0.386CS..Hα-helixtrans-66.7-33174.8-69.9167.9000111.7L1111 V1112 E1115 S1187 S1188 L1193 L1194 M1195L1111-L1191 HydrophobicContact CD2-CD1 4.46Å; L1111-L1191 HydrophobicContact CD2-CD2 4.14Å; L1111-L1191 HydrophobicContact CD2-CG 3.82Å; L1111-L1191 HydrophobicContact CG-CD2 4.37Å; L1111-L1191 HydrophobicContact CG-CG 4.39Å; V1112-L1191 HydrophobicContact CG2-CD2 4.16Å; E1115-L1191 HydrophobicContact CG-CD1 4.03Å; E1115-L1191 HydrophobicContact CG-CD2 4.41Å; S1187-L1191 WeakPolarHBondContact O-CB 3.27Å; S1187-L1191 VanDerWaalsContact O-CG 3.24Å; S1187-L1191 WeakPolarHBondContact O-CG 3.47Å; S1187-L1191 PolarHBondContact O-N 2.83Å; S1188-L1191 PolarHBondContact O-N 2.98Å; L1191-L1193 PolarHBondContact O-N 3.08Å; L1191-L1194 WeakPolarHBondContact O-CA 3.4Å; L1191-L1194 WeakPolarHBondContact O-CB 3.47Å; L1191-L1194 PolarHBondContact O-N 3.42Å; L1191-M1195 WeakPolarHBondContact O-CG 3.31Å; L1191-M1195 PolarHBondContact O-N 3.44Å
1192N81.6Confident68.2Low46 Ų4663.3 Ų63.325%0.24638%0.375CS..THydrogen-bonded Turntrans-63.5-18.3174.3-70.4-17.7000113S1188 N1189 L1190 L1194S1188-N1192 WeakPolarHBondContact O-CB 3.49Å; S1188-N1192 PolarHBondContact O-N 3.37Å; S1188-N1192 PolarHBondContact O-ND2 3.28Å; S1188-N1192 PolarHBondContact O-OD1 2.74Å; N1189-N1192 WeakPolarHBondContact O-CB 3.24Å; N1189-N1192 PolarHBondContact O-N 3.38Å; L1190-N1192 VanDerWaalsContact C-N 3.29Å; L1190-N1192 PolarHBondContact O-N 3.2Å; N1192-L1194 PolarHBondContact O-N 3.2Å
1193L80.3Confident65.9Low4 Ų464.3 Ų64.32%0.02139%0.389CS..THydrogen-bonded Turntrans-71.3-15.4169.6-63.6169.4000112.8T1072 L1075 L1076 F1104 L1108 N1189 L1190 L1191 V1210T1072-L1193 HydrophobicContact CG2-CD2 3.57Å; T1072-L1193 HydrophobicContact CG2-CG 4.24Å; L1075-L1193 HydrophobicContact CB-CD1 4.3Å; L1075-L1193 HydrophobicContact CD1-CD1 4.04Å; L1076-L1193 HydrophobicContact CD2-CD2 3.67Å; L1076-L1193 HydrophobicContact CG-CD2 3.93Å; F1104-L1193 HydrophobicContact CE1-CD1 4.07Å; F1104-L1193 HydrophobicContact CZ-CD1 3.64Å; L1108-L1193 HydrophobicContact CD1-CD1 4.17Å; N1189-L1193 PolarHBondContact O-N 3.47Å; L1190-L1193 HydrophobicContact CD2-CD1 4.15Å; L1190-L1193 VanDerWaalsContact O-CB 3.32Å; L1190-L1193 WeakPolarHBondContact O-CB 3.48Å; L1190-L1193 PolarHBondContact O-N 3.49Å; L1191-L1193 PolarHBondContact O-N 3.08Å; L1193-V1210 WeakPolarHBondContact O-CG2 3.24Å; L1193-V1210 PolarHBondContact O-N 3.25Å
1194L76.1Confident63.8Low16 Ų1670.4 Ų70.48%0.08442%0.416CS..THydrogen-bonded Turntrans-113.2-29.8-175.6-57.9-178.4000114L1108 V1112 I1135 L1191 N1192 L1213L1108-L1194 HydrophobicContact CD2-CD1 3.74Å; L1108-L1194 HydrophobicContact CD2-CD2 4.13Å; L1108-L1194 HydrophobicContact CD2-CG 4.22Å; L1108-L1194 HydrophobicContact CG-CD1 4.49Å; V1112-L1194 HydrophobicContact CG2-CD1 3.4Å; I1135-L1194 HydrophobicContact CD1-CD2 3.74Å; I1135-L1194 HydrophobicContact CG1-CD2 4.31Å; L1191-L1194 WeakPolarHBondContact O-CA 3.4Å; L1191-L1194 WeakPolarHBondContact O-CB 3.47Å; L1191-L1194 PolarHBondContact O-N 3.42Å; N1192-L1194 PolarHBondContact O-N 3.2Å; L1194-L1213 HydrophobicContact CD2-CD1 4.17Å
1195M65.8Low61.7Low113 Ų11371.4 Ų71.456%0.55741%0.413SS*.  trans-92.7131.1-172.4-65.4-63.8-68.600111.8L1191 T1197 M1206L1191-M1195 WeakPolarHBondContact O-CG 3.31Å; L1191-M1195 PolarHBondContact O-N 3.44Å; M1195-T1197 PolarHBondContact O-N 3.13Å; M1195-M1206 WeakPolarHBondContact O-CE 3.34Å
1196P47.1Very low59.5Low111 Ų11170.7 Ų70.772%0.72140%0.404SS*.  trans-78.4109.8165.227.3-26.1000109.6
1197T35Very low57.9Low59 Ų5975.8 Ų75.836%0.36243%0.43SS..  trans-85.8137.1174.860.50000110.9M1195 S1199 M1206M1195-T1197 PolarHBondContact O-N 3.13Å; T1197-S1199 VanDerWaalsContact C-N 3.26Å; T1197-S1199 PolarHBondContact O-N 3.08Å; T1197-S1199 VanDerWaalsContact O-N 3.12Å; T1197-M1206 HydrophobicContact CG2-CE 3.84Å; T1197-M1206 WeakPolarHBondContact OG1-CE 3.46Å; T1197-M1206 PolarHBondContact OG1-SD 3.4Å
1198T38.3Very low56.9Low146 Ų14677.3 Ų77.390%0.89644%0.441SS*.  trans-8126.2-171.246.10000115.3
1199S37Very low56.5Low62 Ų6274.6 Ų74.643%0.43442%0.423SS..  trans-103.1114.417652.90000112.2T1197 S1201 Q1202T1197-S1199 VanDerWaalsContact C-N 3.26Å; T1197-S1199 PolarHBondContact O-N 3.08Å; T1197-S1199 VanDerWaalsContact O-N 3.12Å; S1199-S1201 PolarHBondContact O-N 3.4Å; S1199-Q1202 PolarHBondContact O-N 3.41Å
1200N40.4Very low56.3Low168 Ų16874.6 Ų74.690%0.89842%0.423SS*.THydrogen-bonded Turntrans-54.85.3-165.8-74.3-19.5000119.2
1201S40.7Very low56.1Low114 Ų11476.8 Ų76.880%0.79744%0.435SS*.THydrogen-bonded Turntrans-124.4-2.7179.762.40000115.5S1199S1199-S1201 PolarHBondContact O-N 3.4Å
1202Q38.5Very low56Low114 Ų11476.3 Ų76.353%0.53343%0.433SS..SBendtrans-112.34.4177.1-73.3-179.2-17.500113.8S1199 L1204 M1206S1199-Q1202 PolarHBondContact O-N 3.41Å; Q1202-L1204 VanDerWaalsContact C-N 3.32Å; Q1202-L1204 PolarHBondContact O-N 3.09Å; Q1202-M1206 HydrophobicContact CB-SD 4.48Å; Q1202-M1206 PolarHBondContact O-N 2.86Å
1203S35.8Very low56.3Low63 Ų6374.2 Ų74.244%0.44142%0.421SS..Hα-helixtrans-63.5-31.1-174.552.80000114.2I1207S1203-I1207 WeakPolarHBondContact O-CD1 3.34Å; S1203-I1207 WeakPolarHBondContact O-CG1 3.14Å; S1203-I1207 PolarHBondContact O-N 3.07Å
1204L41.4Very low56.6Low159 Ų15975.7 Ų75.783%0.83243%0.427SS*.Hα-helixtrans-72.1-38.3-175-146.181.2000113Q1202Q1202-L1204 VanDerWaalsContact C-N 3.32Å; Q1202-L1204 PolarHBondContact O-N 3.09Å
1205E39.6Very low57Low133 Ų13380.9 Ų80.962%0.62145%0.445SS*.Hα-helixtrans-76.4-30.2177.2-72.1-176.7173.500112.1S1208E1205-S1208 VanDerWaalsContact O-CB 3.23Å; E1205-S1208 WeakPolarHBondContact O-CB 3.26Å; E1205-S1208 PolarHBondContact O-N 3.23Å; E1205-S1208 PolarHBondContact O-OG 3.42Å
1206M39.5Very low58Low35 Ų3575.6 Ų75.617%0.17242%0.419CS..Hα-helixtrans-81.2-30.8-173.9-74.9179.464.600114.5M1195 T1197 Q1202 S1208 G1209M1195-M1206 WeakPolarHBondContact O-CE 3.34Å; T1197-M1206 HydrophobicContact CG2-CE 3.84Å; T1197-M1206 WeakPolarHBondContact OG1-CE 3.46Å; T1197-M1206 PolarHBondContact OG1-SD 3.4Å; Q1202-M1206 HydrophobicContact CB-SD 4.48Å; Q1202-M1206 PolarHBondContact O-N 2.86Å; M1206-S1208 PolarHBondContact O-N 3.11Å; M1206-S1208 VanDerWaalsContact O-N 3.14Å; M1206-G1209 PolarHBondContact O-N 3.36Å
1207I52.4Low59.9Low108 Ų10870.3 Ų70.355%0.55439%0.385SS*.Hα-helixtrans-59.5-22.9169.9-66.3165000110.5S1203 N1211S1203-I1207 WeakPolarHBondContact O-CD1 3.34Å; S1203-I1207 WeakPolarHBondContact O-CG1 3.14Å; S1203-I1207 PolarHBondContact O-N 3.07Å; I1207-N1211 WeakPolarHBondContact CG2-ND2 3.48Å; I1207-N1211 VanDerWaalsContact O-CB 3.32Å; I1207-N1211 WeakPolarHBondContact O-CB 3.27Å; I1207-N1211 VanDerWaalsContact O-CG 3.23Å; I1207-N1211 PolarHBondContact O-ND2 3Å
1208S66.6Low62.2Low50 Ų5068 Ų6835%0.3537%0.37SS..Hα-helixtrans-69.3-36-178.682.40000114.3E1205 M1206 N1211 L1212E1205-S1208 VanDerWaalsContact O-CB 3.23Å; E1205-S1208 WeakPolarHBondContact O-CB 3.26Å; E1205-S1208 PolarHBondContact O-N 3.23Å; E1205-S1208 PolarHBondContact O-OG 3.42Å; M1206-S1208 PolarHBondContact O-N 3.11Å; M1206-S1208 VanDerWaalsContact O-N 3.14Å; S1208-N1211 PolarHBondContact O-N 2.71Å; S1208-L1212 WeakPolarHBondContact O-CB 3.27Å; S1208-L1212 PolarHBondContact O-N 3.38Å
1209G75.5Confident64.2Low3 Ų362.6 Ų62.63%0.03134%0.337CS..Hα-helixtrans-70.9-51.9-169.500000114L1076 M1206 N1211 L1212 L1213L1076-G1209 VanDerWaalsContact CD2-CA 3.43Å; M1206-G1209 PolarHBondContact O-N 3.36Å; G1209-N1211 VanDerWaalsContact C-N 3.3Å; G1209-N1211 PolarHBondContact O-N 3.26Å; G1209-L1212 PolarHBondContact O-N 2.99Å; G1209-L1213 PolarHBondContact O-N 2.88Å
1210V80.9Confident66.5Low21 Ų2159.6 Ų59.613%0.12732%0.316CS..Hα-helixtrans-61-42.4174.7178.60000110.4L1193 L1212 L1213 R1214L1193-V1210 WeakPolarHBondContact O-CG2 3.24Å; L1193-V1210 PolarHBondContact O-N 3.25Å; V1210-L1212 VanDerWaalsContact C-N 3.33Å; V1210-L1212 PolarHBondContact O-N 2.97Å; V1210-L1213 PolarHBondContact O-N 2.69Å; V1210-R1214 HydrophobicContact CG1-CG 4.42Å; V1210-R1214 WeakPolarHBondContact O-CB 3.43Å; V1210-R1214 VanDerWaalsContact O-CG 3.28Å; V1210-R1214 WeakPolarHBondContact O-CG 3.28Å; V1210-R1214 PolarHBondContact O-N 2.68Å
1211N81.5Confident68.5Low47 Ų4751.7 Ų51.725%0.25127%0.274SS..Hα-helixtrans-65-36.3178.3-75.1-9.5000112.3I1207 S1208 G1209 R1214 R1215 L1344I1207-N1211 WeakPolarHBondContact CG2-ND2 3.48Å; I1207-N1211 VanDerWaalsContact O-CB 3.32Å; I1207-N1211 WeakPolarHBondContact O-CB 3.27Å; I1207-N1211 VanDerWaalsContact O-CG 3.23Å; I1207-N1211 PolarHBondContact O-ND2 3Å; S1208-N1211 PolarHBondContact O-N 2.71Å; G1209-N1211 VanDerWaalsContact C-N 3.3Å; G1209-N1211 PolarHBondContact O-N 3.26Å; N1211-R1214 PolarHBondContact O-N 3.25Å; N1211-R1215 VanDerWaalsContact O-CB 3.3Å; N1211-R1215 WeakPolarHBondContact O-CB 3.5Å; N1211-R1215 PolarHBondContact O-N 3.03Å; N1211-L1344 HydrophobicContact CB-CD2 4.05Å
1212L83.2Confident70.2Confident31 Ų3146.3 Ų46.316%0.16224%0.236CC..Hα-helixtrans-65.7-45.8174.7-17860.2000111.3L1079 E1080 A1083 S1208 G1209 V1210 R1214 R1215 I1216L1079-L1212 HydrophobicContact CB-CD2 3.52Å; L1079-L1212 HydrophobicContact CB-CG 4.36Å; E1080-L1212 HydrophobicContact CB-CD2 4.31Å; A1083-L1212 HydrophobicContact CB-CD1 4.16Å; S1208-L1212 WeakPolarHBondContact O-CB 3.27Å; S1208-L1212 PolarHBondContact O-N 3.38Å; G1209-L1212 PolarHBondContact O-N 2.99Å; V1210-L1212 VanDerWaalsContact C-N 3.33Å; V1210-L1212 PolarHBondContact O-N 2.97Å; L1212-R1214 VanDerWaalsContact C-N 3.32Å; L1212-R1214 PolarHBondContact O-N 3.38Å; L1212-R1215 PolarHBondContact O-N 3.33Å; L1212-R1215 VanDerWaalsContact O-N 3.16Å; L1212-I1216 HydrophobicContact CD1-CD1 4.42Å; L1212-I1216 HydrophobicContact CG-CD1 4.16Å; L1212-I1216 VanDerWaalsContact O-CG1 3.27Å; L1212-I1216 WeakPolarHBondContact O-CG1 3.45Å; L1212-I1216 PolarHBondContact O-N 3.09Å
1213L86.5Confident71.8Confident1 Ų141.1 Ų41.11%0.00521%0.212CC..Hα-helixtrans-60.6-41.8174.8-69175.4000111.9L1079 L1108 L1194 G1209 V1210 I1216 L1217 L1242L1079-L1213 HydrophobicContact CD1-CD2 4.19Å; L1079-L1213 HydrophobicContact CD2-CD2 4.38Å; L1108-L1213 HydrophobicContact CD1-CD1 4.5Å; L1194-L1213 HydrophobicContact CD2-CD1 4.17Å; G1209-L1213 PolarHBondContact O-N 2.88Å; V1210-L1213 PolarHBondContact O-N 2.69Å; L1213-I1216 PolarHBondContact O-N 3.41Å; L1213-L1217 WeakPolarHBondContact O-CB 3.49Å; L1213-L1217 PolarHBondContact O-N 2.84Å; L1213-L1242 HydrophobicContact CB-CD2 4.38Å; L1213-L1242 HydrophobicContact CD2-CD2 3.97Å
1214R87.5Confident73.7Confident36 Ų3638.1 Ų38.114%0.13619%0.192CC..Hα-helixtrans-64.1-39.6174-73.1171.1179.2-173.53111.8V1210 N1211 L1212 L1217 I1218 Y1249 L1344V1210-R1214 HydrophobicContact CG1-CG 4.42Å; V1210-R1214 WeakPolarHBondContact O-CB 3.43Å; V1210-R1214 VanDerWaalsContact O-CG 3.28Å; V1210-R1214 WeakPolarHBondContact O-CG 3.28Å; V1210-R1214 PolarHBondContact O-N 2.68Å; N1211-R1214 PolarHBondContact O-N 3.25Å; L1212-R1214 VanDerWaalsContact C-N 3.32Å; L1212-R1214 PolarHBondContact O-N 3.38Å; R1214-L1217 WeakPolarHBondContact O-CB 3.33Å; R1214-L1217 PolarHBondContact O-N 2.81Å; R1214-I1218 WeakPolarHBondContact O-CD1 3.47Å; R1214-I1218 VanDerWaalsContact O-CG1 3.26Å; R1214-I1218 WeakPolarHBondContact O-CG1 3.23Å; R1214-I1218 PolarHBondContact O-N 2.91Å; R1214-Y1249 HydrophobicContact CB-CD1 4.32Å; R1214-Y1249 HydrophobicContact CB-CE1 3.91Å; R1214-Y1249 HydrophobicContact CB-CE2 4.5Å; R1214-Y1249 HydrophobicContact CG-CD1 3.86Å; R1214-Y1249 HydrophobicContact CG-CD2 4.16Å; R1214-Y1249 HydrophobicContact CG-CE1 3.94Å; R1214-Y1249 HydrophobicContact CG-CE2 4.2Å; R1214-Y1249 HydrophobicContact CG-CG 3.97Å; R1214-L1344 HydrophobicContact CB-CD2 3.68Å
1215R83.2Confident75Confident125 Ų12531.1 Ų31.147%0.47216%0.155SC..Hα-helixtrans-65.8-41.9175.6-171.4143.5-179.6130.40.8111.8N1211 L1212 I1218 T1219 E1341 L1344N1211-R1215 VanDerWaalsContact O-CB 3.3Å; N1211-R1215 WeakPolarHBondContact O-CB 3.5Å; N1211-R1215 PolarHBondContact O-N 3.03Å; L1212-R1215 PolarHBondContact O-N 3.33Å; L1212-R1215 VanDerWaalsContact O-N 3.16Å; R1215-I1218 PolarHBondContact O-N 3.04Å; R1215-T1219 WeakPolarHBondContact O-CB 3.35Å; R1215-T1219 PolarHBondContact O-N 3.36Å; R1215-T1219 PolarHBondContact O-OG1 3.1Å; R1215-E1341 IonicContact CZ-OE1 3.5Å; R1215-E1341 IonicContact NH1-OE1 2.84Å; R1215-E1341 PolarHBondContact NH1-OE1 2.84Å; R1215-E1341 IonicContact NH2-OE1 3.32Å; R1215-E1341 PolarHBondContact NH2-OE1 3.32Å; R1215-L1344 HydrophobicContact CB-CD1 4.1Å
1216I87Confident76Confident2 Ų225.1 Ų25.11%0.0113%0.127CC..Hα-helixtrans-61.6-44.4173.2-66.5165.4000110.5L1079 A1083 I1086 L1101 L1212 L1213 I1218 T1219 L1220 L1242L1079-I1216 HydrophobicContact CD2-CD1 4.38Å; A1083-I1216 HydrophobicContact CB-CD1 4.07Å; A1083-I1216 HydrophobicContact CB-CG1 3.75Å; I1086-I1216 HydrophobicContact CD1-CG2 4.06Å; L1101-I1216 HydrophobicContact CD1-CD1 4.15Å; L1101-I1216 HydrophobicContact CD1-CG2 4.08Å; L1101-I1216 HydrophobicContact CD2-CG2 3.36Å; L1101-I1216 HydrophobicContact CG-CG2 4.34Å; L1212-I1216 HydrophobicContact CD1-CD1 4.42Å; L1212-I1216 HydrophobicContact CG-CD1 4.16Å; L1212-I1216 VanDerWaalsContact O-CG1 3.27Å; L1212-I1216 WeakPolarHBondContact O-CG1 3.45Å; L1212-I1216 PolarHBondContact O-N 3.09Å; L1213-I1216 PolarHBondContact O-N 3.41Å; I1216-I1218 PolarHBondContact O-N 3.48Å; I1216-T1219 PolarHBondContact O-N 3.48Å; I1216-L1220 HydrophobicContact CG2-CD1 3.97Å; I1216-L1220 HydrophobicContact CG2-CG 4.33Å; I1216-L1220 WeakPolarHBondContact O-CB 3.5Å; I1216-L1220 WeakPolarHBondContact O-CG 3.48Å; I1216-L1220 PolarHBondContact O-N 3.1Å; I1216-L1242 HydrophobicContact CG2-CD1 3.78Å
1217L87.7Confident76.7Confident0 Ų026.8 Ų26.80%013%0.134CC..Hα-helixtrans-56.5-49174.7170.864.1000111.4L1213 R1214 T1219 L1220 L1221 L1239 L1242 I1243 N1246 Y1249L1213-L1217 WeakPolarHBondContact O-CB 3.49Å; L1213-L1217 PolarHBondContact O-N 2.84Å; R1214-L1217 WeakPolarHBondContact O-CB 3.33Å; R1214-L1217 PolarHBondContact O-N 2.81Å; L1217-T1219 VanDerWaalsContact C-N 3.35Å; L1217-T1219 PolarHBondContact O-N 3.5Å; L1217-L1220 PolarHBondContact O-N 2.88Å; L1217-L1221 WeakPolarHBondContact O-CB 3.5Å; L1217-L1221 PolarHBondContact O-N 3.16Å; L1217-L1239 HydrophobicContact CD1-CD1 3.54Å; L1217-L1242 HydrophobicContact CB-CB 4.39Å; L1217-L1242 HydrophobicContact CD1-CB 4.14Å; L1217-I1243 HydrophobicContact CD1-CG1 3.65Å; L1217-N1246 HydrophobicContact CD2-CB 4.23Å; L1217-Y1249 HydrophobicContact CD2-CD1 4.22Å
1218I83Confident76.7Confident11 Ų1124.5 Ų24.56%0.05612%0.121CC..Hα-helixtrans-60.5-46.5178-67.4157.2000110.7R1214 R1215 I1216 S1222 Y1249 L1253 A1337 G1340 L1344R1214-I1218 WeakPolarHBondContact O-CD1 3.47Å; R1214-I1218 VanDerWaalsContact O-CG1 3.26Å; R1214-I1218 WeakPolarHBondContact O-CG1 3.23Å; R1214-I1218 PolarHBondContact O-N 2.91Å; R1215-I1218 PolarHBondContact O-N 3.04Å; I1216-I1218 PolarHBondContact O-N 3.48Å; I1218-S1222 WeakPolarHBondContact O-CB 3.43Å; I1218-S1222 PolarHBondContact O-N 2.87Å; I1218-Y1249 HydrophobicContact CD1-CE1 4.39Å; I1218-Y1249 WeakPolarHBondContact CD1-OH 3.48Å; I1218-Y1249 HydrophobicContact CG1-CE1 4.47Å; I1218-L1253 HydrophobicContact CG1-CD2 4.45Å; I1218-A1337 HydrophobicContact CG2-CB 4.45Å; I1218-G1340 VanDerWaalsContact CD1-CA 3.46Å; I1218-L1344 HydrophobicContact CD1-CD1 3.7Å; I1218-L1344 HydrophobicContact CD1-CG 4.14Å
1219T80.7Confident76.4Confident31 Ų3122.6 Ų22.619%0.1911%0.108CC..Hα-helixtrans-58.8-51.2179.8-69.40000111.4I1087 R1215 I1216 L1217 S1223I1087-T1219 HydrophobicContact CD1-CG2 3.38Å; I1087-T1219 HydrophobicContact CG1-CG2 3.76Å; R1215-T1219 WeakPolarHBondContact O-CB 3.35Å; R1215-T1219 PolarHBondContact O-N 3.36Å; R1215-T1219 PolarHBondContact O-OG1 3.1Å; I1216-T1219 PolarHBondContact O-N 3.48Å; L1217-T1219 VanDerWaalsContact C-N 3.35Å; L1217-T1219 PolarHBondContact O-N 3.5Å; T1219-S1223 WeakPolarHBondContact O-CB 3.39Å; T1219-S1223 PolarHBondContact O-N 2.97Å
1220L84Confident75.7Confident0 Ų031 Ų310%014%0.138CC..Hα-helixtrans-67.3-49179.4-72.7177.4000112.3I1086 L1101 I1216 L1217 S1222 S1223 V1224 M1235 P1238 L1239 L1242I1086-L1220 HydrophobicContact CG2-CD2 3.66Å; L1101-L1220 HydrophobicContact CD2-CD1 3.58Å; I1216-L1220 HydrophobicContact CG2-CD1 3.97Å; I1216-L1220 HydrophobicContact CG2-CG 4.33Å; I1216-L1220 WeakPolarHBondContact O-CB 3.5Å; I1216-L1220 WeakPolarHBondContact O-CG 3.48Å; I1216-L1220 PolarHBondContact O-N 3.1Å; L1217-L1220 PolarHBondContact O-N 2.88Å; L1220-S1222 VanDerWaalsContact C-N 3.3Å; L1220-S1222 PolarHBondContact O-N 3.46Å; L1220-S1223 PolarHBondContact O-N 2.8Å; L1220-S1223 VanDerWaalsContact O-N 3.11Å; L1220-V1224 WeakPolarHBondContact O-CG2 3.34Å; L1220-V1224 PolarHBondContact O-N 3.33Å; L1220-M1235 HydrophobicContact CD2-CB 4.1Å; L1220-M1235 HydrophobicContact CD2-CG 3.89Å; L1220-M1235 HydrophobicContact CD2-SD 4.22Å; L1220-P1238 HydrophobicContact CD1-CB 4.24Å; L1220-P1238 HydrophobicContact CD1-CG 3.83Å; L1220-L1239 HydrophobicContact CB-CD1 4.15Å; L1220-L1242 HydrophobicContact CD1-CD1 3.85Å
1221L83.3Confident75.1Confident2 Ų230.5 Ų30.51%0.0114%0.136CC..Hα-helixtrans-58.5-47-178.9-17862.4000110.4L1217 I1225 L1239 Y1250 L1253 I1336L1217-L1221 WeakPolarHBondContact O-CB 3.5Å; L1217-L1221 PolarHBondContact O-N 3.16Å; L1221-I1225 HydrophobicContact CD1-CD1 3.59Å; L1221-I1225 HydrophobicContact CD1-CG1 4.3Å; L1221-I1225 HydrophobicContact CG-CD1 3.8Å; L1221-I1225 WeakPolarHBondContact O-CB 3.33Å; L1221-I1225 WeakPolarHBondContact O-CD1 3.35Å; L1221-I1225 WeakPolarHBondContact O-CG1 3.43Å; L1221-I1225 PolarHBondContact O-N 2.88Å; L1221-I1225 VanDerWaalsContact O-N 3.09Å; L1221-L1239 HydrophobicContact CB-CD1 4.05Å; L1221-L1239 HydrophobicContact CD1-CD1 4.45Å; L1221-L1239 HydrophobicContact CD1-CD2 4.16Å; L1221-Y1250 HydrophobicContact CD2-CD2 4.42Å; L1221-Y1250 HydrophobicContact CD2-CE2 4.02Å; L1221-L1253 HydrophobicContact CD2-CD2 3.99Å; L1221-I1336 HydrophobicContact CD2-CD1 4.44Å; L1221-I1336 HydrophobicContact CD2-CG2 4.01Å; L1221-I1336 HydrophobicContact CG-CD1 4.36Å; L1221-I1336 HydrophobicContact CG-CG2 4.29Å
1222S76.5Confident74.8Confident0 Ų029.9 Ų29.90%013%0.132CC..Hα-helixtrans-66.6-38.8177.1178.20000111.9R169 I1218 L1220 Q1226 G1333R169-S1222 PolarHBondContact NE-OG 3.25Å; R169-S1222 PolarHBondContact NH2-OG 2.9Å; I1218-S1222 WeakPolarHBondContact O-CB 3.43Å; I1218-S1222 PolarHBondContact O-N 2.87Å; L1220-S1222 VanDerWaalsContact C-N 3.3Å; L1220-S1222 PolarHBondContact O-N 3.46Å; S1222-Q1226 VanDerWaalsContact C-NE2 3.28Å; S1222-Q1226 VanDerWaalsContact O-CG 3.23Å; S1222-Q1226 WeakPolarHBondContact O-CG 3.32Å; S1222-Q1226 PolarHBondContact O-N 3.32Å; S1222-Q1226 PolarHBondContact O-NE2 3.25Å; S1222-Q1226 PolarHBondContact OG-NE2 3.44Å; S1222-G1333 PolarHBondContact OG-O 3.35Å
1223S72.8Confident74.6Confident5 Ų535.9 Ų35.94%0.03515%0.152CC..Hα-helixtrans-65.4-40.3177.4-171.20000113.1T1219 L1220 Q1226 M1235T1219-S1223 WeakPolarHBondContact O-CB 3.39Å; T1219-S1223 PolarHBondContact O-N 2.97Å; L1220-S1223 PolarHBondContact O-N 2.8Å; L1220-S1223 VanDerWaalsContact O-N 3.11Å; S1223-Q1226 WeakPolarHBondContact O-CB 3.41Å; S1223-Q1226 PolarHBondContact O-N 3.42Å; S1223-M1235 PolarHBondContact OG-SD 3.44Å
1224V74.1Confident74.5Confident1 Ų136.6 Ų36.61%0.00616%0.157CC..Hα-helixtrans-74.6-33.5-179.6179.20000112.4L1220 Q1226 Q1232 M1235 L1296L1220-V1224 WeakPolarHBondContact O-CG2 3.34Å; L1220-V1224 PolarHBondContact O-N 3.33Å; V1224-Q1226 PolarHBondContact O-N 3.39Å; V1224-Q1232 HydrophobicContact CG1-CG 4.03Å; V1224-M1235 HydrophobicContact CG2-CB 3.4Å; V1224-M1235 HydrophobicContact CG2-CG 4.3Å; V1224-M1235 HydrophobicContact CG2-SD 3.98Å; V1224-L1296 HydrophobicContact CB-CD2 4.44Å; V1224-L1296 HydrophobicContact CG1-CD1 4.02Å; V1224-L1296 HydrophobicContact CG1-CD2 3.45Å; V1224-L1296 VanDerWaalsContact CG1-CD2 3.45Å; V1224-L1296 HydrophobicContact CG1-CG 3.74Å
1225I69.8Low74.4Confident11 Ų1135.3 Ų35.36%0.05615%0.153CC..Hα-helixtrans-70.1-19.8178.2-72174.7000112.2L1221 F1299 L1303 L1332 I1336L1221-I1225 HydrophobicContact CD1-CD1 3.59Å; L1221-I1225 HydrophobicContact CD1-CG1 4.3Å; L1221-I1225 HydrophobicContact CG-CD1 3.8Å; L1221-I1225 WeakPolarHBondContact O-CB 3.33Å; L1221-I1225 WeakPolarHBondContact O-CD1 3.35Å; L1221-I1225 WeakPolarHBondContact O-CG1 3.43Å; L1221-I1225 PolarHBondContact O-N 2.88Å; L1221-I1225 VanDerWaalsContact O-N 3.09Å; I1225-F1299 HydrophobicContact CD1-CE1 3.81Å; I1225-F1299 HydrophobicContact CG1-CD1 4.49Å; I1225-F1299 HydrophobicContact CG1-CE1 3.9Å; I1225-L1303 HydrophobicContact CG2-CD2 3.61Å; I1225-L1332 HydrophobicContact CG2-CD2 4.23Å; I1225-I1336 HydrophobicContact CD1-CD1 3.36Å
1226Q60.9Low74.5Confident7 Ų729.4 Ų29.43%0.03313%0.131CC..SBendtrans-66.7142.6171.2-66.114825.400110.4T168 R169 F172 S1222 S1223 V1224 E1228 K1300T168-Q1226 PolarHBondContact O-OE1 3.45Å; R169-Q1226 HydrophobicContact CG-CG 4.37Å; R169-Q1226 VanDerWaalsContact NE-NE2 3.14Å; F172-Q1226 HydrophobicContact CB-CB 4.2Å; S1222-Q1226 VanDerWaalsContact C-NE2 3.28Å; S1222-Q1226 VanDerWaalsContact O-CG 3.23Å; S1222-Q1226 WeakPolarHBondContact O-CG 3.32Å; S1222-Q1226 PolarHBondContact O-N 3.32Å; S1222-Q1226 PolarHBondContact O-NE2 3.25Å; S1222-Q1226 PolarHBondContact OG-NE2 3.44Å; S1223-Q1226 WeakPolarHBondContact O-CB 3.41Å; S1223-Q1226 PolarHBondContact O-N 3.42Å; V1224-Q1226 PolarHBondContact O-N 3.39Å; Q1226-E1228 PolarHBondContact O-N 2.82Å; Q1226-K1300 VanDerWaalsContact O-CE 3.23Å; Q1226-K1300 WeakPolarHBondContact O-CE 3.27Å; Q1226-K1300 PolarHBondContact O-NZ 3.29Å
1227E52.7Low74.7Confident71 Ų7131 Ų3133%0.33214%0.137SC..THydrogen-bonded Turntrans-59.4-19.2-171.5-69.2-171.9168.500113.7F172 K1300 S1304F172-E1227 HydrophobicContact CD2-CB 3.4Å; F172-E1227 HydrophobicContact CD2-CG 3.53Å; F172-E1227 HydrophobicContact CE2-CB 3.69Å; F172-E1227 HydrophobicContact CE2-CG 3.24Å; F172-E1227 WeakPolarHBondContact CE2-OE2 3.47Å; F172-E1227 HydrophobicContact CG-CB 4.13Å; F172-E1227 HydrophobicContact CG-CG 4.32Å; F172-E1227 HydrophobicContact CZ-CG 3.76Å; E1227-K1300 VanDerWaalsContact C-CE 3.46Å; E1227-K1300 VanDerWaalsContact C-NZ 3.29Å; E1227-K1300 VanDerWaalsContact CA-CE 3.43Å; E1227-K1300 WeakPolarHBondContact O-CE 3.36Å; E1227-K1300 PolarHBondContact O-NZ 2.97Å; E1227-S1304 WeakPolarHBondContact OE1-CB 3.28Å; E1227-S1304 PolarHBondContact OE1-OG 3.16Å
1228E52.4Low74.9Confident59 Ų5931 Ų3128%0.27614%0.137SC..THydrogen-bonded Turntrans-126.937-166.8-54.6-163.7159.800116.1I171 R175 Q1226 R1230I171-E1228 WeakPolarHBondContact CG2-OE2 2.95Å; R175-E1228 WeakPolarHBondContact CD-OE1 3.29Å; R175-E1228 WeakPolarHBondContact CD-OE2 3.45Å; R175-E1228 IonicContact CZ-OE1 4Å; R175-E1228 IonicContact CZ-OE2 2.66Å; R175-E1228 IonicContact NE-OE1 3.86Å; R175-E1228 PolarHBondContact NE-OE1 3.1Å; R175-E1228 IonicContact NE-OE2 2.7Å; R175-E1228 PolarHBondContact NE-OE2 2.92Å; R175-E1228 IonicContact NH1-OE1 3.78Å; R175-E1228 PolarHBondContact NH1-OE1 3.39Å; R175-E1228 IonicContact NH1-OE2 2.82Å; R175-E1228 PolarHBondContact NH1-OE2 3.22Å; R175-E1228 IonicContact NH2-OE2 3.88Å; R175-E1228 PolarHBondContact NH2-OE2 2.97Å; Q1226-E1228 PolarHBondContact O-N 2.82Å; E1228-R1230 PolarHBondContact O-N 2.86Å
1229C60.5Low75.3Confident11 Ų1130.5 Ų30.57%0.07413%0.134CC..  trans-64.1102.8167-172.80000110.9C1231 Q1232 M1235C1229-C1231 VanDerWaalsContact C-N 3.27Å; C1229-C1231 PolarHBondContact O-N 3.26Å; C1229-Q1232 HydrophobicContact CB-CB 4.22Å; C1229-Q1232 PolarHBondContact O-N 3.26Å; C1229-Q1232 VanDerWaalsContact SG-CA 3.51Å; C1229-Q1232 PolarHBondContact SG-N 3.41Å; C1229-Q1232 VanDerWaalsContact SG-N 3.37Å; C1229-M1235 PolarHBondContact SG-SD 3.1Å
1230R60.7Low75.8Confident178 Ų17829.1 Ų29.167%0.67213%0.125SC*.THydrogen-bonded Turntrans-61.6-35.1175.5-67.2-177.6-178.7-167.8-4.4112.4S239 E1228S239-R1230 PolarHBondContact OG-NH2 3.1Å; E1228-R1230 PolarHBondContact O-N 2.86Å
1231C69.4Low76.1Confident11 Ų1129.1 Ų29.17%0.07413%0.125CC..THydrogen-bonded Turntrans-10433.7-176.5-53.20000111.7E1095 C1229 W1233 S1234 M1235E1095-C1231 HydrophobicContact CG-CB 4.18Å; C1229-C1231 VanDerWaalsContact C-N 3.27Å; C1229-C1231 PolarHBondContact O-N 3.26Å; C1231-W1233 PolarHBondContact O-N 2.93Å; C1231-S1234 PolarHBondContact O-N 2.67Å; C1231-M1235 PolarHBondContact O-N 3.07Å
1232Q75.5Confident76.5Confident35 Ų3529 Ų2916%0.16413%0.125CC..Hα-helixtrans-52.9-43.7-175.6175.5178.1-26.500112.1V1224 C1229 M1235 S1236 S1297V1224-Q1232 HydrophobicContact CG1-CG 4.03Å; C1229-Q1232 HydrophobicContact CB-CB 4.22Å; C1229-Q1232 PolarHBondContact O-N 3.26Å; C1229-Q1232 VanDerWaalsContact SG-CA 3.51Å; C1229-Q1232 PolarHBondContact SG-N 3.41Å; C1229-Q1232 VanDerWaalsContact SG-N 3.37Å; Q1232-M1235 PolarHBondContact O-N 3.29Å; Q1232-S1236 VanDerWaalsContact O-CB 3.29Å; Q1232-S1236 WeakPolarHBondContact O-CB 3.49Å; Q1232-S1236 PolarHBondContact O-N 3.04Å; Q1232-S1236 PolarHBondContact O-OG 3.48Å; Q1232-S1297 PolarHBondContact NE2-OG 3.19Å
1233W79.3Confident77.1Confident157 Ų15729.1 Ų29.160%0.59513%0.125SC*.Hα-helixtrans-59.9-50.1178.7-169.888.4000110.8C1231 S1236 R1237C1231-W1233 PolarHBondContact O-N 2.93Å; W1233-S1236 PolarHBondContact O-N 3.46Å; W1233-S1236 PolarHBondContact O-OG 3.08Å; W1233-R1237 VanDerWaalsContact CE2-NH2 3.32Å; W1233-R1237 WeakPolarHBondContact O-CG 3.01Å
1234S83.2Confident77.8Confident16 Ų1629.1 Ų29.111%0.11213%0.125CC..Hα-helixtrans-63.8-43.2179.4-48.80000112.6C1098 C1231 S1236 R1237 P1238C1098-S1234 WeakPolarHBondContact CB-O 3.39Å; C1231-S1234 PolarHBondContact O-N 2.67Å; S1234-S1236 VanDerWaalsContact C-N 3.35Å; S1234-S1236 PolarHBondContact O-N 3.48Å; S1234-R1237 PolarHBondContact O-N 2.78Å; S1234-P1238 WeakPolarHBondContact O-CD 2.79Å
1235M85Confident78.3Confident9 Ų929.1 Ų29.14%0.04413%0.125CC..Hα-helixtrans-69.4-28.8178.1-71.2-171.4177.100113.3L1220 S1223 V1224 C1229 C1231 Q1232 R1237 P1238 L1239L1220-M1235 HydrophobicContact CD2-CB 4.1Å; L1220-M1235 HydrophobicContact CD2-CG 3.89Å; L1220-M1235 HydrophobicContact CD2-SD 4.22Å; S1223-M1235 PolarHBondContact OG-SD 3.44Å; V1224-M1235 HydrophobicContact CG2-CB 3.4Å; V1224-M1235 HydrophobicContact CG2-CG 4.3Å; V1224-M1235 HydrophobicContact CG2-SD 3.98Å; C1229-M1235 PolarHBondContact SG-SD 3.1Å; C1231-M1235 PolarHBondContact O-N 3.07Å; Q1232-M1235 PolarHBondContact O-N 3.29Å; M1235-R1237 VanDerWaalsContact C-N 3.3Å; M1235-R1237 PolarHBondContact O-N 3.48Å; M1235-P1238 WeakPolarHBondContact O-CD 3.22Å; M1235-L1239 WeakPolarHBondContact O-CB 3.31Å; M1235-L1239 PolarHBondContact O-N 3.4Å
1236S87Confident79.1Confident1 Ų128.8 Ų28.81%0.00712%0.123CC..Hα-helixtrans-68-29.5178.473.70000113.1Q1232 W1233 S1234 L1239 L1240 T1293Q1232-S1236 VanDerWaalsContact O-CB 3.29Å; Q1232-S1236 WeakPolarHBondContact O-CB 3.49Å; Q1232-S1236 PolarHBondContact O-N 3.04Å; Q1232-S1236 PolarHBondContact O-OG 3.48Å; W1233-S1236 PolarHBondContact O-N 3.46Å; W1233-S1236 PolarHBondContact O-OG 3.08Å; S1234-S1236 VanDerWaalsContact C-N 3.35Å; S1234-S1236 PolarHBondContact O-N 3.48Å; S1236-L1239 PolarHBondContact O-N 2.81Å; S1236-L1240 PolarHBondContact O-N 2.83Å; S1236-T1293 WeakPolarHBondContact OG-CG2 3.19Å; S1236-T1293 PolarHBondContact OG-OG1 3.03Å
1237R90Very high80.2Confident36 Ų3630.6 Ų30.614%0.13613%0.132CC..Hα-helixtrans-62.8-52.6-176.9-64.5-75.7176-176.6-15.1113D1102 W1233 S1234 M1235 L1239 P1241 D1290D1102-R1237 HydrophobicContact CB-CB 4.24Å; W1233-R1237 VanDerWaalsContact CE2-NH2 3.32Å; W1233-R1237 WeakPolarHBondContact O-CG 3.01Å; S1234-R1237 PolarHBondContact O-N 2.78Å; M1235-R1237 VanDerWaalsContact C-N 3.3Å; M1235-R1237 PolarHBondContact O-N 3.48Å; R1237-L1239 VanDerWaalsContact C-N 3.35Å; R1237-P1241 WeakPolarHBondContact O-CD 3.44Å; R1237-D1290 IonicContact CZ-OD1 3.67Å; R1237-D1290 IonicContact NH1-OD1 2.76Å; R1237-D1290 PolarHBondContact NH1-OD1 3.48Å; R1237-D1290 IonicContact NH2-OD1 3.6Å; R1237-D1290 PolarHBondContact NH2-OD1 3.34Å
1238P92.1Very high81.5Confident0 Ų030.5 Ų30.50%013%0.131CC..Hα-helixtrans-74.8-21.2173.928.8-35000113.7C1098 L1101 D1102 L1220 S1234 M1235 L1240 P1241 L1242C1098-P1238 HydrophobicContact CB-CG 4.18Å; L1101-P1238 HydrophobicContact CB-CB 3.96Å; L1101-P1238 HydrophobicContact CB-CG 4.49Å; L1101-P1238 HydrophobicContact CD2-CB 3.58Å; L1101-P1238 HydrophobicContact CD2-CG 3.95Å; L1101-P1238 HydrophobicContact CG-CB 3.64Å; L1101-P1238 HydrophobicContact CG-CG 4.42Å; D1102-P1238 HydrophobicContact CB-CB 4.22Å; L1220-P1238 HydrophobicContact CD1-CB 4.24Å; L1220-P1238 HydrophobicContact CD1-CG 3.83Å; S1234-P1238 WeakPolarHBondContact O-CD 2.79Å; M1235-P1238 WeakPolarHBondContact O-CD 3.22Å; P1238-L1240 PolarHBondContact O-N 3.11Å; P1238-P1241 VanDerWaalsContact O-CD 3.26Å; P1238-P1241 WeakPolarHBondContact O-CD 3.32Å; P1238-P1241 VanDerWaalsContact O-CG 3.27Å; P1238-P1241 WeakPolarHBondContact O-CG 3.41Å; P1238-L1242 WeakPolarHBondContact O-CB 3.32Å; P1238-L1242 WeakPolarHBondContact O-CD1 3.48Å; P1238-L1242 VanDerWaalsContact O-CG 3.25Å; P1238-L1242 WeakPolarHBondContact O-CG 3.38Å; P1238-L1242 PolarHBondContact O-N 2.84Å
1239L90.9Very high82.9Confident0 Ų028.1 Ų28.10%012%0.12CC..Hα-helixtrans-64.4-43-176.2-176.962000112.5L1217 L1220 L1221 M1235 S1236 R1237 L1242 I1243 F1292 L1296L1217-L1239 HydrophobicContact CD1-CD1 3.54Å; L1220-L1239 HydrophobicContact CB-CD1 4.15Å; L1221-L1239 HydrophobicContact CB-CD1 4.05Å; L1221-L1239 HydrophobicContact CD1-CD1 4.45Å; L1221-L1239 HydrophobicContact CD1-CD2 4.16Å; M1235-L1239 WeakPolarHBondContact O-CB 3.31Å; M1235-L1239 PolarHBondContact O-N 3.4Å; S1236-L1239 PolarHBondContact O-N 2.81Å; R1237-L1239 VanDerWaalsContact C-N 3.35Å; L1239-L1242 PolarHBondContact O-N 3.48Å; L1239-I1243 HydrophobicContact CD1-CD1 4.15Å; L1239-I1243 HydrophobicContact CD1-CG1 4.33Å; L1239-I1243 HydrophobicContact CG-CD1 3.89Å; L1239-I1243 HydrophobicContact CG-CG1 4.47Å; L1239-I1243 VanDerWaalsContact O-CG1 3.3Å; L1239-I1243 WeakPolarHBondContact O-CG1 3.39Å; L1239-I1243 PolarHBondContact O-N 2.81Å; L1239-F1292 HydrophobicContact CB-CE1 4.22Å; L1239-F1292 HydrophobicContact CD2-CE1 4.16Å; L1239-F1292 HydrophobicContact CD2-CZ 3.98Å; L1239-F1292 HydrophobicContact CG-CE1 4.2Å; L1239-F1292 HydrophobicContact CG-CZ 4.04Å; L1239-L1296 HydrophobicContact CD2-CD1 4.46Å; L1239-L1296 HydrophobicContact CD2-CD2 4.01Å
1240L92.2Very high84.1Confident1 Ų128.1 Ų28.11%0.00512%0.118CC..Hα-helixtrans-58.7-55.9177.9177.361.8000113.3S1236 P1238 L1242 I1243 L1244 V1280 L1284 R1289 F1292S1236-L1240 PolarHBondContact O-N 2.83Å; P1238-L1240 PolarHBondContact O-N 3.11Å; L1240-L1242 VanDerWaalsContact C-N 3.27Å; L1240-L1242 PolarHBondContact O-N 2.95Å; L1240-I1243 PolarHBondContact O-N 3.39Å; L1240-L1244 HydrophobicContact CD1-CD1 4.04Å; L1240-L1244 HydrophobicContact CD1-CG 4.01Å; L1240-L1244 HydrophobicContact CG-CD1 4.16Å; L1240-L1244 HydrophobicContact CG-CG 4.47Å; L1240-L1244 WeakPolarHBondContact O-CG 3.4Å; L1240-L1244 PolarHBondContact O-N 3.46Å; L1240-V1280 HydrophobicContact CD1-CG1 3.68Å; L1240-L1284 HydrophobicContact CD2-CD2 4.08Å; L1240-L1284 HydrophobicContact CG-CD2 4.05Å; L1240-R1289 HydrophobicContact CD2-CG 3.99Å; L1240-F1292 HydrophobicContact CB-CD1 3.73Å; L1240-F1292 HydrophobicContact CB-CE1 3.98Å; L1240-F1292 HydrophobicContact CB-CG 4.08Å; L1240-F1292 HydrophobicContact CD1-CB 4.26Å; L1240-F1292 HydrophobicContact CD1-CD1 4.46Å; L1240-F1292 HydrophobicContact CD1-CD2 3.93Å; L1240-F1292 HydrophobicContact CD1-CE2 4.39Å; L1240-F1292 HydrophobicContact CD1-CG 3.95Å; L1240-F1292 HydrophobicContact CD2-CB 4.04Å; L1240-F1292 HydrophobicContact CD2-CG 4.36Å; L1240-F1292 HydrophobicContact CG-CD1 4.48Å; L1240-F1292 HydrophobicContact CG-CG 4.35Å
1241P90.5Very high85.3Confident0 Ų022.6 Ų22.60%010%0.104CC..Hα-helixtrans-60.7-36178.421.4-30.6000112.2R1237 P1238 L1244 L1245 L1284R1237-P1241 WeakPolarHBondContact O-CD 3.44Å; P1238-P1241 VanDerWaalsContact O-CD 3.26Å; P1238-P1241 WeakPolarHBondContact O-CD 3.32Å; P1238-P1241 VanDerWaalsContact O-CG 3.27Å; P1238-P1241 WeakPolarHBondContact O-CG 3.41Å; P1241-L1244 PolarHBondContact O-N 3.44Å; P1241-L1245 WeakPolarHBondContact O-CB 3.32Å; P1241-L1245 WeakPolarHBondContact O-CD1 3.48Å; P1241-L1245 WeakPolarHBondContact O-CG 3.43Å; P1241-L1245 PolarHBondContact O-N 2.93Å; P1241-L1284 HydrophobicContact CB-CD1 3.91Å; P1241-L1284 HydrophobicContact CB-CD2 3.96Å
1242L90.4Very high86Confident0 Ų025.8 Ų25.80%012%0.118CC..Hα-helixtrans-62.8-41.5175.1-73.7171.1000113.1L1101 L1213 I1216 L1217 L1220 P1238 L1239 L1240 N1246L1101-L1242 HydrophobicContact CD2-CD1 4.07Å; L1213-L1242 HydrophobicContact CB-CD2 4.38Å; L1213-L1242 HydrophobicContact CD2-CD2 3.97Å; I1216-L1242 HydrophobicContact CG2-CD1 3.78Å; L1217-L1242 HydrophobicContact CB-CB 4.39Å; L1217-L1242 HydrophobicContact CD1-CB 4.14Å; L1220-L1242 HydrophobicContact CD1-CD1 3.85Å; P1238-L1242 WeakPolarHBondContact O-CB 3.32Å; P1238-L1242 WeakPolarHBondContact O-CD1 3.48Å; P1238-L1242 VanDerWaalsContact O-CG 3.25Å; P1238-L1242 WeakPolarHBondContact O-CG 3.38Å; P1238-L1242 PolarHBondContact O-N 2.84Å; L1239-L1242 PolarHBondContact O-N 3.48Å; L1240-L1242 VanDerWaalsContact C-N 3.27Å; L1240-L1242 PolarHBondContact O-N 2.95Å; L1242-N1246 WeakPolarHBondContact O-CB 3.18Å; L1242-N1246 PolarHBondContact O-N 2.93Å; L1242-N1246 VanDerWaalsContact O-N 3.11Å; L1242-N1246 PolarHBondContact O-ND2 2.9Å
1243I89.1Confident86.3Confident2 Ų224.2 Ų24.21%0.0111%0.111CC..Hα-helixtrans-63.1-47.3174-70.3168.9000110.2L1217 L1239 L1240 L1245 N1246 Q1247 Y1250 M1277 F1292L1217-I1243 HydrophobicContact CD1-CG1 3.65Å; L1239-I1243 HydrophobicContact CD1-CD1 4.15Å; L1239-I1243 HydrophobicContact CD1-CG1 4.33Å; L1239-I1243 HydrophobicContact CG-CD1 3.89Å; L1239-I1243 HydrophobicContact CG-CG1 4.47Å; L1239-I1243 VanDerWaalsContact O-CG1 3.3Å; L1239-I1243 WeakPolarHBondContact O-CG1 3.39Å; L1239-I1243 PolarHBondContact O-N 2.81Å; L1240-I1243 PolarHBondContact O-N 3.39Å; I1243-L1245 VanDerWaalsContact C-N 3.3Å; I1243-L1245 PolarHBondContact O-N 3.4Å; I1243-N1246 CarbonylContact O-C 3.55Å; I1243-N1246 VanDerWaalsContact O-C 3.26Å; I1243-N1246 PolarHBondContact O-N 3.14Å; I1243-N1246 VanDerWaalsContact O-N 3.16Å; I1243-Q1247 WeakPolarHBondContact O-CA 3.48Å; I1243-Q1247 PolarHBondContact O-N 3.12Å; I1243-Q1247 VanDerWaalsContact O-N 3.08Å; I1243-Y1250 HydrophobicContact CD1-CD2 4.35Å; I1243-Y1250 HydrophobicContact CD1-CE2 4.04Å; I1243-Y1250 HydrophobicContact CG1-CD2 3.95Å; I1243-Y1250 HydrophobicContact CG1-CE2 4.16Å; I1243-Y1250 HydrophobicContact CG1-CG 4.42Å; I1243-Y1250 HydrophobicContact CG2-CD1 3.9Å; I1243-Y1250 HydrophobicContact CG2-CD2 4.2Å; I1243-Y1250 HydrophobicContact CG2-CE1 4.26Å; I1243-Y1250 HydrophobicContact CG2-CG 3.87Å; I1243-M1277 HydrophobicContact CG2-CE 4.11Å; I1243-M1277 HydrophobicContact CG2-SD 4.21Å; I1243-F1292 HydrophobicContact CD1-CE2 4Å; I1243-F1292 HydrophobicContact CD1-CZ 3.74Å
1244L87.8Confident86.6Confident6 Ų618.3 Ų18.33%0.0319%0.09CC..Hα-helixtrans-66.8-31-177.7-68-179.4000113.1F1109 L1240 P1241 Q1247 M1277 L1284F1109-L1244 HydrophobicContact CD2-CB 3.92Å; F1109-L1244 HydrophobicContact CE2-CB 3.62Å; F1109-L1244 HydrophobicContact CE2-CD1 4Å; F1109-L1244 HydrophobicContact CE2-CG 4.44Å; F1109-L1244 HydrophobicContact CZ-CD1 4.11Å; L1240-L1244 HydrophobicContact CD1-CD1 4.04Å; L1240-L1244 HydrophobicContact CD1-CG 4.01Å; L1240-L1244 HydrophobicContact CG-CD1 4.16Å; L1240-L1244 HydrophobicContact CG-CG 4.47Å; L1240-L1244 WeakPolarHBondContact O-CG 3.4Å; L1240-L1244 PolarHBondContact O-N 3.46Å; P1241-L1244 PolarHBondContact O-N 3.44Å; L1244-Q1247 WeakPolarHBondContact O-CG 3.2Å; L1244-Q1247 PolarHBondContact O-NE2 2.96Å; L1244-M1277 HydrophobicContact CD2-CE 4.31Å; L1244-L1284 HydrophobicContact CD1-CD2 3.84Å
1245L85.5Confident86.7Confident1 Ų121 Ų211%0.00510%0.103CC..Hα-helixtrans-70.6-38.3172.3-73.9164.5000111.8L1108 F1109 V1112 L1134 I1135 P1241 I1243L1108-L1245 HydrophobicContact CD2-CD1 3.57Å; L1108-L1245 HydrophobicContact CD2-CD2 3.31Å; L1108-L1245 HydrophobicContact CD2-CG 4.05Å; F1109-L1245 HydrophobicContact CB-CD2 4.12Å; F1109-L1245 HydrophobicContact CB-CG 4.27Å; F1109-L1245 HydrophobicContact CD2-CD2 4.25Å; F1109-L1245 HydrophobicContact CD2-CG 4.31Å; V1112-L1245 HydrophobicContact CG2-CD2 4.49Å; L1134-L1245 HydrophobicContact CD2-CD2 4.19Å; I1135-L1245 WeakPolarHBondContact CD1-O 3.33Å; I1135-L1245 VanDerWaalsContact CG1-O 3.29Å; I1135-L1245 WeakPolarHBondContact CG1-O 3.49Å; P1241-L1245 WeakPolarHBondContact O-CB 3.32Å; P1241-L1245 WeakPolarHBondContact O-CD1 3.48Å; P1241-L1245 WeakPolarHBondContact O-CG 3.43Å; P1241-L1245 PolarHBondContact O-N 2.93Å; I1243-L1245 VanDerWaalsContact C-N 3.3Å; I1243-L1245 PolarHBondContact O-N 3.4Å
1246N85Confident86.5Confident4 Ų423.9 Ų23.92%0.02111%0.113CC..THydrogen-bonded Turntrans-109.940.5-174.1-72.9-79.1000112.8L1217 L1242 I1243 Q1248 Y1249 Y1250L1217-N1246 HydrophobicContact CD2-CB 4.23Å; L1242-N1246 WeakPolarHBondContact O-CB 3.18Å; L1242-N1246 PolarHBondContact O-N 2.93Å; L1242-N1246 VanDerWaalsContact O-N 3.11Å; L1242-N1246 PolarHBondContact O-ND2 2.9Å; I1243-N1246 CarbonylContact O-C 3.55Å; I1243-N1246 VanDerWaalsContact O-C 3.26Å; I1243-N1246 PolarHBondContact O-N 3.14Å; I1243-N1246 VanDerWaalsContact O-N 3.16Å; N1246-Q1248 VanDerWaalsContact C-N 3.35Å; N1246-Q1248 PolarHBondContact O-N 3.25Å; N1246-Y1249 PolarHBondContact O-N 3.42Å; N1246-Y1249 VanDerWaalsContact O-N 3.12Å; N1246-Y1250 WeakPolarHBondContact O-CB 3.43Å; N1246-Y1250 PolarHBondContact O-N 3.02Å
1247Q84Confident86Confident45 Ų4523.9 Ų23.921%0.2111%0.113CC..Hα-helixtrans-55.7-43.1-172.7-74.1176.322.400114.1I1243 L1244 Y1250 T1251I1243-Q1247 WeakPolarHBondContact O-CA 3.48Å; I1243-Q1247 PolarHBondContact O-N 3.12Å; I1243-Q1247 VanDerWaalsContact O-N 3.08Å; L1244-Q1247 WeakPolarHBondContact O-CG 3.2Å; L1244-Q1247 PolarHBondContact O-NE2 2.96Å; Q1247-Y1250 PolarHBondContact O-N 3.26Å; Q1247-T1251 WeakPolarHBondContact O-CB 3.43Å; Q1247-T1251 PolarHBondContact O-N 3.49Å; Q1247-T1251 PolarHBondContact O-OG1 3.49Å
1248Q80.1Confident85.5Confident69 Ų6922.6 Ų22.632%0.32211%0.109SC..Hα-helixtrans-62.3-48.8177.6-175.8-178.65.300110.8N1246 Y1250 T1251 E1252N1246-Q1248 VanDerWaalsContact C-N 3.35Å; N1246-Q1248 PolarHBondContact O-N 3.25Å; Q1248-Y1250 PolarHBondContact O-N 3.46Å; Q1248-T1251 PolarHBondContact O-N 3.34Å; Q1248-E1252 PolarHBondContact O-N 2.97Å
1249Y82.7Confident84.8Confident8 Ų830.2 Ų30.23%0.03114%0.142CC..Hα-helixtrans-64-41.5179.1-175.5-92.9000112.1R1214 L1217 I1218 N1246 T1251 E1252 L1253 G1340 L1343R1214-Y1249 HydrophobicContact CB-CD1 4.32Å; R1214-Y1249 HydrophobicContact CB-CE1 3.91Å; R1214-Y1249 HydrophobicContact CB-CE2 4.5Å; R1214-Y1249 HydrophobicContact CG-CD1 3.86Å; R1214-Y1249 HydrophobicContact CG-CD2 4.16Å; R1214-Y1249 HydrophobicContact CG-CE1 3.94Å; R1214-Y1249 HydrophobicContact CG-CE2 4.2Å; R1214-Y1249 HydrophobicContact CG-CG 3.97Å; L1217-Y1249 HydrophobicContact CD2-CD1 4.22Å; I1218-Y1249 HydrophobicContact CD1-CE1 4.39Å; I1218-Y1249 WeakPolarHBondContact CD1-OH 3.48Å; I1218-Y1249 HydrophobicContact CG1-CE1 4.47Å; N1246-Y1249 PolarHBondContact O-N 3.42Å; N1246-Y1249 VanDerWaalsContact O-N 3.12Å; Y1249-T1251 VanDerWaalsContact C-N 3.32Å; Y1249-T1251 PolarHBondContact O-N 3.09Å; Y1249-E1252 PolarHBondContact O-N 3.31Å; Y1249-L1253 WeakPolarHBondContact O-CB 3.42Å; Y1249-L1253 PolarHBondContact O-N 3.08Å; Y1249-G1340 PolarHBondContact OH-O 3.24Å; Y1249-L1343 HydrophobicContact CE2-CB 3.7Å; Y1249-L1343 HydrophobicContact CE2-CD1 4.45Å; Y1249-L1343 HydrophobicContact CE2-CD2 4.47Å; Y1249-L1343 HydrophobicContact CE2-CG 4.44Å; Y1249-L1343 WeakPolarHBondContact OH-CB 3.32Å
1250Y86Confident83.8Confident12 Ų1233.8 Ų33.85%0.04716%0.159CC..Hα-helixtrans-62.9-39.8174.7175.7-100000111.5L1221 I1243 N1246 Q1247 Q1248 L1253 K1254 L1276 M1277L1221-Y1250 HydrophobicContact CD2-CD2 4.42Å; L1221-Y1250 HydrophobicContact CD2-CE2 4.02Å; I1243-Y1250 HydrophobicContact CD1-CD2 4.35Å; I1243-Y1250 HydrophobicContact CD1-CE2 4.04Å; I1243-Y1250 HydrophobicContact CG1-CD2 3.95Å; I1243-Y1250 HydrophobicContact CG1-CE2 4.16Å; I1243-Y1250 HydrophobicContact CG1-CG 4.42Å; I1243-Y1250 HydrophobicContact CG2-CD1 3.9Å; I1243-Y1250 HydrophobicContact CG2-CD2 4.2Å; I1243-Y1250 HydrophobicContact CG2-CE1 4.26Å; I1243-Y1250 HydrophobicContact CG2-CG 3.87Å; N1246-Y1250 WeakPolarHBondContact O-CB 3.43Å; N1246-Y1250 PolarHBondContact O-N 3.02Å; Q1247-Y1250 PolarHBondContact O-N 3.26Å; Q1248-Y1250 PolarHBondContact O-N 3.46Å; Y1250-L1253 PolarHBondContact O-N 3.12Å; Y1250-K1254 VanDerWaalsContact O-CB 3.25Å; Y1250-K1254 WeakPolarHBondContact O-CB 3.24Å; Y1250-K1254 PolarHBondContact O-N 3.08Å; Y1250-L1276 WeakPolarHBondContact OH-CD2 3.32Å; Y1250-M1277 HydrophobicContact CE1-CG 4.39Å
1251T85.5Confident82.7Confident61 Ų6134.3 Ų34.337%0.37416%0.161SC..Hα-helixtrans-66.8-41.1176.3-54.70000111.3Q1247 Q1248 Y1249 K1254 N1255Q1247-T1251 WeakPolarHBondContact O-CB 3.43Å; Q1247-T1251 PolarHBondContact O-N 3.49Å; Q1247-T1251 PolarHBondContact O-OG1 3.49Å; Q1248-T1251 PolarHBondContact O-N 3.34Å; Y1249-T1251 VanDerWaalsContact C-N 3.32Å; Y1249-T1251 PolarHBondContact O-N 3.09Å; T1251-K1254 WeakPolarHBondContact O-CB 3.31Å; T1251-K1254 PolarHBondContact O-N 3.48Å; T1251-N1255 WeakPolarHBondContact O-CB 3.32Å; T1251-N1255 PolarHBondContact O-N 3.01Å; T1251-N1255 PolarHBondContact O-ND2 3.18Å
1252E84.6Confident81.6Confident79 Ų7937.7 Ų37.737%0.36918%0.183SC..Hα-helixtrans-67.3-42.3175.8-161-179.116400111.8Q1248 Y1249 N1255 R1256 L1343Q1248-E1252 PolarHBondContact O-N 2.97Å; Y1249-E1252 PolarHBondContact O-N 3.31Å; E1252-N1255 PolarHBondContact O-N 2.71Å; E1252-R1256 WeakPolarHBondContact O-CG 3.43Å; E1252-R1256 PolarHBondContact O-N 3.09Å; E1252-R1256 IonicContact OE1-CZ 2.81Å; E1252-R1256 IonicContact OE1-NE 2.68Å; E1252-R1256 PolarHBondContact OE1-NE 3.24Å; E1252-R1256 IonicContact OE1-NH2 2.79Å; E1252-R1256 PolarHBondContact OE1-NH2 3.19Å; E1252-L1343 HydrophobicContact CB-CD2 4.26Å; E1252-L1343 HydrophobicContact CG-CD2 3.75Å; E1252-L1343 VanDerWaalsContact OE1-CD2 3.25Å; E1252-L1343 WeakPolarHBondContact OE1-CD2 3.46Å
1253L82.3Confident80.8Confident2 Ų245.8 Ų45.81%0.0122%0.221CC..Hα-helixtrans-57.9-49.4172.6-177.967.8000110.9I1218 L1221 Y1249 Y1250 N1255 R1256 V1257 I1336 A1339 L1343I1218-L1253 HydrophobicContact CG1-CD2 4.45Å; L1221-L1253 HydrophobicContact CD2-CD2 3.99Å; Y1249-L1253 WeakPolarHBondContact O-CB 3.42Å; Y1249-L1253 PolarHBondContact O-N 3.08Å; Y1250-L1253 PolarHBondContact O-N 3.12Å; L1253-N1255 VanDerWaalsContact C-N 3.34Å; L1253-N1255 PolarHBondContact O-N 2.97Å; L1253-R1256 PolarHBondContact O-N 2.86Å; L1253-V1257 HydrophobicContact CD1-CG2 4.36Å; L1253-V1257 WeakPolarHBondContact O-CB 3.46Å; L1253-V1257 WeakPolarHBondContact O-CG2 3.47Å; L1253-V1257 PolarHBondContact O-N 2.74Å; L1253-I1336 HydrophobicContact CD2-CG2 4.35Å; L1253-A1339 HydrophobicContact CD1-CB 4.21Å; L1253-L1343 VanDerWaalsContact CA-CD1 3.44Å; L1253-L1343 HydrophobicContact CB-CD1 3.81Å; L1253-L1343 HydrophobicContact CD1-CD1 3.81Å; L1253-L1343 HydrophobicContact CG-CD1 4.45Å
1254K84.6Confident79.9Confident33 Ų3354.6 Ų54.614%0.14326%0.262CS..Hα-helixtrans-53.4-51.6173.9-178.1-175.186.4167.90110.5Y1250 T1251 R1256 V1257 I1258 F1273 D1274Y1250-K1254 VanDerWaalsContact O-CB 3.25Å; Y1250-K1254 WeakPolarHBondContact O-CB 3.24Å; Y1250-K1254 PolarHBondContact O-N 3.08Å; T1251-K1254 WeakPolarHBondContact O-CB 3.31Å; T1251-K1254 PolarHBondContact O-N 3.48Å; K1254-R1256 PolarHBondContact O-N 3.45Å; K1254-V1257 PolarHBondContact O-N 3.34Å; K1254-I1258 HydrophobicContact CD-CD1 4.31Å; K1254-I1258 HydrophobicContact CG-CD1 3.67Å; K1254-I1258 WeakPolarHBondContact O-CB 3.46Å; K1254-I1258 WeakPolarHBondContact O-CD1 3.03Å; K1254-I1258 WeakPolarHBondContact O-CG1 3.32Å; K1254-I1258 PolarHBondContact O-N 3.5Å; K1254-F1273 HydrophobicContact CD-CB 3.56Å; K1254-F1273 HydrophobicContact CD-CD1 4.47Å; K1254-F1273 HydrophobicContact CD-CG 4.06Å; K1254-F1273 HydrophobicContact CG-CB 3.91Å; K1254-F1273 HydrophobicContact CG-CD1 4.12Å; K1254-F1273 HydrophobicContact CG-CD2 4.14Å; K1254-F1273 HydrophobicContact CG-CG 3.83Å; K1254-D1274 IonicContact NZ-OD1 2.89Å; K1254-D1274 PolarHBondContact NZ-OD1 3.03Å
1255N85Confident79Confident73 Ų7356.8 Ų56.839%0.3927%0.271SS..Hα-helixtrans-66.2-38.3-176.9-69.1-18.2000112.8T1251 E1252 L1253 I1258 K1259T1251-N1255 WeakPolarHBondContact O-CB 3.32Å; T1251-N1255 PolarHBondContact O-N 3.01Å; T1251-N1255 PolarHBondContact O-ND2 3.18Å; E1252-N1255 PolarHBondContact O-N 2.71Å; L1253-N1255 VanDerWaalsContact C-N 3.34Å; L1253-N1255 PolarHBondContact O-N 2.97Å; N1255-I1258 PolarHBondContact O-N 2.68Å; N1255-K1259 WeakPolarHBondContact O-CB 3.14Å; N1255-K1259 VanDerWaalsContact O-CG 3.28Å; N1255-K1259 WeakPolarHBondContact O-CG 3.29Å; N1255-K1259 PolarHBondContact O-N 3.12Å
1256R81Confident78.6Confident69 Ų6959.3 Ų59.326%0.2628%0.283SS..Hα-helixtrans-67-45.9175.7-73.6-167.1-168.9-173.34.7111.4E1252 L1253 K1254 I1258 K1259 E1260 A1339 L1343E1252-R1256 WeakPolarHBondContact O-CG 3.43Å; E1252-R1256 PolarHBondContact O-N 3.09Å; E1252-R1256 IonicContact OE1-CZ 2.81Å; E1252-R1256 IonicContact OE1-NE 2.68Å; E1252-R1256 PolarHBondContact OE1-NE 3.24Å; E1252-R1256 IonicContact OE1-NH2 2.79Å; E1252-R1256 PolarHBondContact OE1-NH2 3.19Å; L1253-R1256 PolarHBondContact O-N 2.86Å; K1254-R1256 PolarHBondContact O-N 3.45Å; R1256-I1258 VanDerWaalsContact C-N 3.26Å; R1256-I1258 PolarHBondContact O-N 3.11Å; R1256-K1259 PolarHBondContact O-N 3.09Å; R1256-K1259 VanDerWaalsContact O-N 3.12Å; R1256-E1260 PolarHBondContact O-N 3.27Å; R1256-E1260 VanDerWaalsContact O-N 3.09Å; R1256-A1339 HydrophobicContact CB-CB 4.05Å; R1256-L1343 VanDerWaalsContact CZ-CG 3.44Å; R1256-L1343 VanDerWaalsContact NE-CD2 3.32Å
1257V76.6Confident78.3Confident1 Ų165.2 Ų65.21%0.00631%0.311CS..Hα-helixtrans-60.4-37.3176.2172.70000111.4L1253 K1254 F1273 L1332 A1335 I1336 A1339L1253-V1257 HydrophobicContact CD1-CG2 4.36Å; L1253-V1257 WeakPolarHBondContact O-CB 3.46Å; L1253-V1257 WeakPolarHBondContact O-CG2 3.47Å; L1253-V1257 PolarHBondContact O-N 2.74Å; K1254-V1257 PolarHBondContact O-N 3.34Å; V1257-F1273 HydrophobicContact CG1-CE2 4.37Å; V1257-F1273 HydrophobicContact CG1-CZ 4.18Å; V1257-L1332 HydrophobicContact CG1-CD1 3.37Å; V1257-L1332 HydrophobicContact CG1-CG 4.08Å; V1257-A1335 HydrophobicContact CG1-CB 4.35Å; V1257-I1336 HydrophobicContact CB-CG1 4.49Å; V1257-I1336 HydrophobicContact CG1-CG1 3.99Å; V1257-I1336 HydrophobicContact CG2-CB 4.31Å; V1257-I1336 HydrophobicContact CG2-CG1 3.71Å; V1257-A1339 HydrophobicContact CG2-CB 3.84Å
1258I79.2Confident77.9Confident8 Ų865.7 Ų65.74%0.04132%0.319CS..Hα-helixtrans-69.5-40.9174.9-68.2165.9000111.5K1254 N1255 R1256 E1260 L1261 Q1266 A1269 F1273K1254-I1258 HydrophobicContact CD-CD1 4.31Å; K1254-I1258 HydrophobicContact CG-CD1 3.67Å; K1254-I1258 WeakPolarHBondContact O-CB 3.46Å; K1254-I1258 WeakPolarHBondContact O-CD1 3.03Å; K1254-I1258 WeakPolarHBondContact O-CG1 3.32Å; K1254-I1258 PolarHBondContact O-N 3.5Å; N1255-I1258 PolarHBondContact O-N 2.68Å; R1256-I1258 VanDerWaalsContact C-N 3.26Å; R1256-I1258 PolarHBondContact O-N 3.11Å; I1258-E1260 PolarHBondContact O-N 2.97Å; I1258-L1261 WeakPolarHBondContact O-CB 3.38Å; I1258-L1261 PolarHBondContact O-N 3.48Å; I1258-Q1266 HydrophobicContact CG2-CB 3.7Å; I1258-Q1266 HydrophobicContact CG2-CG 3.92Å; I1258-Q1266 WeakPolarHBondContact O-CG 3.37Å; I1258-A1269 HydrophobicContact CG1-CB 4.36Å; I1258-F1273 HydrophobicContact CD1-CD2 4.1Å; I1258-F1273 HydrophobicContact CG1-CD2 4.17Å; I1258-F1273 HydrophobicContact CG1-CE2 4.26Å
1259K77.8Confident77.7Confident160 Ų16062.6 Ų62.670%0.69631%0.305SS*.Hα-helixtrans-63.5-26.7177.1-76.9176.1-179.2-174.90113.5N1255 R1256 L1261N1255-K1259 WeakPolarHBondContact O-CB 3.14Å; N1255-K1259 VanDerWaalsContact O-CG 3.28Å; N1255-K1259 WeakPolarHBondContact O-CG 3.29Å; N1255-K1259 PolarHBondContact O-N 3.12Å; R1256-K1259 PolarHBondContact O-N 3.09Å; R1256-K1259 VanDerWaalsContact O-N 3.12Å; K1259-L1261 PolarHBondContact O-N 3.42Å
1260E70.4Confident77.6Confident76 Ų7664.2 Ų64.236%0.35532%0.316SS..THydrogen-bonded Turntrans-73.9-14.4173.2-70.5-175.8172.300113.1R1256 I1258 A1335R1256-E1260 PolarHBondContact O-N 3.27Å; R1256-E1260 VanDerWaalsContact O-N 3.09Å; I1258-E1260 PolarHBondContact O-N 2.97Å; E1260-A1335 VanDerWaalsContact OE2-CB 3.31Å; E1260-A1335 WeakPolarHBondContact OE2-CB 3.41Å
1261L68.9Low77.4Confident11 Ų1169.2 Ų69.26%0.05834%0.338CS..SBendtrans-84.3147.5172.7-73.5154.4000110.9I1258 K1259 Q1266 A1269 L1330 L1332I1258-L1261 WeakPolarHBondContact O-CB 3.38Å; I1258-L1261 PolarHBondContact O-N 3.48Å; K1259-L1261 PolarHBondContact O-N 3.42Å; L1261-Q1266 WeakPolarHBondContact O-CG 3.41Å; L1261-Q1266 PolarHBondContact O-NE2 3.38Å; L1261-A1269 HydrophobicContact CD1-CB 3.62Å; L1261-L1330 HydrophobicContact CD2-CB 4.5Å; L1261-L1330 HydrophobicContact CD2-CD2 3.37Å; L1261-L1330 HydrophobicContact CG-CD2 3.76Å; L1261-L1332 HydrophobicContact CD1-CD1 4.16Å
1262P67.9Low77.2Confident71 Ų7167.2 Ų67.246%0.46133%0.325SS..  trans-52.8142.5173.8-24.932.7000112.6E1264 K1265 Q1266P1262-E1264 VanDerWaalsContact C-N 3.27Å; P1262-E1264 PolarHBondContact O-N 2.83Å; P1262-E1264 VanDerWaalsContact O-N 3.12Å; P1262-K1265 HydrophobicContact CG-CD 4.39Å; P1262-K1265 WeakPolarHBondContact O-CA 3.32Å; P1262-K1265 WeakPolarHBondContact O-CB 3.31Å; P1262-K1265 PolarHBondContact O-N 3.45Å; P1262-Q1266 WeakPolarHBondContact O-CG 3.35Å; P1262-Q1266 PolarHBondContact O-N 3.24Å
1263E72.1Confident77.1Confident171 Ų17163.8 Ų63.880%0.79931%0.309SS*.Hα-helixtrans-50.5-42.4-173.1-72-169.3164.300113.5K1265 Q1266E1263-K1265 PolarHBondContact O-N 3.26Å; E1263-K1265 VanDerWaalsContact O-N 3.1Å; E1263-Q1266 PolarHBondContact O-N 3.1Å
1264E71.2Confident77.1Confident187 Ų18767.3 Ų67.387%0.87433%0.328SS*.Hα-helixtrans-58.5-25.3178.1-59.7179175.500113.7P1262P1262-E1264 VanDerWaalsContact C-N 3.27Å; P1262-E1264 PolarHBondContact O-N 2.83Å; P1262-E1264 VanDerWaalsContact O-N 3.12Å
1265K69.9Low77.1Confident52 Ų5270.9 Ų70.923%0.22634%0.343CS..Hα-helixtrans-97.8-17.7-175.8-68.4-173.3-172.6-176.80112.8P1262 E1263 E1267 S1268 A1269 F1306 T1310P1262-K1265 HydrophobicContact CG-CD 4.39Å; P1262-K1265 WeakPolarHBondContact O-CA 3.32Å; P1262-K1265 WeakPolarHBondContact O-CB 3.31Å; P1262-K1265 PolarHBondContact O-N 3.45Å; E1263-K1265 PolarHBondContact O-N 3.26Å; E1263-K1265 VanDerWaalsContact O-N 3.1Å; K1265-E1267 VanDerWaalsContact C-N 3.35Å; K1265-E1267 PolarHBondContact O-N 2.49Å; K1265-S1268 PolarHBondContact O-N 3.28Å; K1265-A1269 WeakPolarHBondContact O-CB 3.36Å; K1265-A1269 PolarHBondContact O-N 3.39Å; K1265-F1306 HydrophobicContact CB-CZ 3.95Å; K1265-F1306 HydrophobicContact CD-CZ 4.39Å; K1265-F1306 HydrophobicContact CG-CZ 4.23Å; K1265-T1310 HydrophobicContact CD-CG2 4.07Å; K1265-T1310 VanDerWaalsContact CE-CG2 3.49Å
1266Q75.8Confident77Confident54 Ų5467.4 Ų67.425%0.25233%0.325SS..Hα-helixtrans-61.1-41.9-173-66.1-173.82.800112I1258 L1261 P1262 E1263 S1268 A1269 T1270I1258-Q1266 HydrophobicContact CG2-CB 3.7Å; I1258-Q1266 HydrophobicContact CG2-CG 3.92Å; I1258-Q1266 WeakPolarHBondContact O-CG 3.37Å; L1261-Q1266 WeakPolarHBondContact O-CG 3.41Å; L1261-Q1266 PolarHBondContact O-NE2 3.38Å; P1262-Q1266 WeakPolarHBondContact O-CG 3.35Å; P1262-Q1266 PolarHBondContact O-N 3.24Å; E1263-Q1266 PolarHBondContact O-N 3.1Å; Q1266-S1268 PolarHBondContact O-N 3Å; Q1266-A1269 PolarHBondContact O-N 3.28Å; Q1266-T1270 WeakPolarHBondContact O-CB 3.27Å; Q1266-T1270 PolarHBondContact O-N 3.1Å; Q1266-T1270 PolarHBondContact O-OG1 3.15Å
1267E78.5Confident77.3Confident128 Ų12866.5 Ų66.560%0.59832%0.324SS*.Hα-helixtrans-63.5-43179.5-165-166.8149.800111.8K1265 T1270 K1271K1265-E1267 VanDerWaalsContact C-N 3.35Å; K1265-E1267 PolarHBondContact O-N 2.49Å; E1267-T1270 WeakPolarHBondContact O-CB 3.46Å; E1267-T1270 PolarHBondContact O-N 3.27Å; E1267-K1271 WeakPolarHBondContact O-CG 3.43Å; E1267-K1271 PolarHBondContact O-N 2.89Å; E1267-K1271 VanDerWaalsContact OE1-CE 3.3Å; E1267-K1271 WeakPolarHBondContact OE1-CE 3.26Å; E1267-K1271 IonicContact OE1-NZ 2.69Å; E1267-K1271 PolarHBondContact OE1-NZ 2.71Å
1268S75.9Confident77.7Confident54 Ų5471.4 Ų71.438%0.37835%0.347SS..Hα-helixtrans-68.5-41.6179-68.10000112.2K1265 Q1266 T1270 K1271 L1272K1265-S1268 PolarHBondContact O-N 3.28Å; Q1266-S1268 PolarHBondContact O-N 3Å; S1268-T1270 VanDerWaalsContact C-N 3.33Å; S1268-K1271 PolarHBondContact O-N 3.4Å; S1268-L1272 WeakPolarHBondContact O-CG 3.3Å; S1268-L1272 PolarHBondContact O-N 3.06Å
1269A75.5Confident77.8Confident4 Ų477.6 Ų77.63%0.03338%0.38CS..Hα-helixtrans-63.8-39.8174.700000111.7I1258 L1261 K1265 Q1266 K1271 L1272 F1273I1258-A1269 HydrophobicContact CG1-CB 4.36Å; L1261-A1269 HydrophobicContact CD1-CB 3.62Å; K1265-A1269 WeakPolarHBondContact O-CB 3.36Å; K1265-A1269 PolarHBondContact O-N 3.39Å; Q1266-A1269 PolarHBondContact O-N 3.28Å; A1269-K1271 PolarHBondContact O-N 3.17Å; A1269-L1272 WeakPolarHBondContact O-CB 3.35Å; A1269-L1272 PolarHBondContact O-N 3.03Å; A1269-F1273 WeakPolarHBondContact O-CD2 3.32Å; A1269-F1273 PolarHBondContact O-N 3.2Å
1270T81Confident78.1Confident43 Ų4371 Ų7126%0.26435%0.353SS..Hα-helixtrans-57.7-50.1173.9-53.30000110.5Q1266 E1267 S1268 L1272 F1273 D1274Q1266-T1270 WeakPolarHBondContact O-CB 3.27Å; Q1266-T1270 PolarHBondContact O-N 3.1Å; Q1266-T1270 PolarHBondContact O-OG1 3.15Å; E1267-T1270 WeakPolarHBondContact O-CB 3.46Å; E1267-T1270 PolarHBondContact O-N 3.27Å; S1268-T1270 VanDerWaalsContact C-N 3.33Å; T1270-L1272 VanDerWaalsContact C-N 3.28Å; T1270-L1272 PolarHBondContact O-N 3.38Å; T1270-F1273 PolarHBondContact O-N 3.35Å; T1270-D1274 WeakPolarHBondContact O-CB 3.3Å; T1270-D1274 PolarHBondContact O-N 2.88Å
1271K81.7Confident78.6Confident116 Ų11673.5 Ų73.550%0.50436%0.364SS..Hα-helixtrans-58.2-37.6175.9-71.5174.3-173.71650112.8E1267 S1268 A1269 D1274 K1275E1267-K1271 WeakPolarHBondContact O-CG 3.43Å; E1267-K1271 PolarHBondContact O-N 2.89Å; E1267-K1271 VanDerWaalsContact OE1-CE 3.3Å; E1267-K1271 WeakPolarHBondContact OE1-CE 3.26Å; E1267-K1271 IonicContact OE1-NZ 2.69Å; E1267-K1271 PolarHBondContact OE1-NZ 2.71Å; S1268-K1271 PolarHBondContact O-N 3.4Å; A1269-K1271 PolarHBondContact O-N 3.17Å; K1271-D1274 PolarHBondContact O-N 3.02Å; K1271-K1275 WeakPolarHBondContact O-CG 3.2Å; K1271-K1275 PolarHBondContact O-N 2.92Å
1272L80.9Confident79.3Confident19 Ų1975.6 Ų75.610%0.09938%0.38CS..Hα-helixtrans-65.8-49.1176.2-73171.6000111.7S1268 A1269 T1270 D1274 K1275 L1276 F1299 S1302 L1303 F1306S1268-L1272 WeakPolarHBondContact O-CG 3.3Å; S1268-L1272 PolarHBondContact O-N 3.06Å; A1269-L1272 WeakPolarHBondContact O-CB 3.35Å; A1269-L1272 PolarHBondContact O-N 3.03Å; T1270-L1272 VanDerWaalsContact C-N 3.28Å; T1270-L1272 PolarHBondContact O-N 3.38Å; L1272-D1274 VanDerWaalsContact C-N 3.25Å; L1272-D1274 PolarHBondContact O-N 2.88Å; L1272-K1275 WeakPolarHBondContact O-CB 3.43Å; L1272-K1275 PolarHBondContact O-N 3.4Å; L1272-L1276 PolarHBondContact O-N 3.01Å; L1272-F1299 HydrophobicContact CB-CD2 4.19Å; L1272-F1299 HydrophobicContact CB-CE2 3.88Å; L1272-F1299 WeakPolarHBondContact O-CD2 3.14Å; L1272-F1299 WeakPolarHBondContact O-CE2 3.11Å; L1272-S1302 VanDerWaalsContact CD2-CB 3.46Å; L1272-L1303 HydrophobicContact CD1-CD1 4.28Å; L1272-F1306 HydrophobicContact CD1-CB 3.75Å; L1272-F1306 HydrophobicContact CD1-CD1 4.06Å; L1272-F1306 HydrophobicContact CD1-CD2 4.17Å; L1272-F1306 HydrophobicContact CD1-CG 3.73Å
1273F82.4Confident80Confident8 Ų873.8 Ų73.84%0.03537%0.366CS..Hα-helixtrans-64.7-32177.4-82.1-79000112.2K1254 V1257 I1258 A1269 T1270 L1276 F1299 L1332K1254-F1273 HydrophobicContact CD-CB 3.56Å; K1254-F1273 HydrophobicContact CD-CD1 4.47Å; K1254-F1273 HydrophobicContact CD-CG 4.06Å; K1254-F1273 HydrophobicContact CG-CB 3.91Å; K1254-F1273 HydrophobicContact CG-CD1 4.12Å; K1254-F1273 HydrophobicContact CG-CD2 4.14Å; K1254-F1273 HydrophobicContact CG-CG 3.83Å; V1257-F1273 HydrophobicContact CG1-CE2 4.37Å; V1257-F1273 HydrophobicContact CG1-CZ 4.18Å; I1258-F1273 HydrophobicContact CD1-CD2 4.1Å; I1258-F1273 HydrophobicContact CG1-CD2 4.17Å; I1258-F1273 HydrophobicContact CG1-CE2 4.26Å; A1269-F1273 WeakPolarHBondContact O-CD2 3.32Å; A1269-F1273 PolarHBondContact O-N 3.2Å; T1270-F1273 PolarHBondContact O-N 3.35Å; F1273-L1276 WeakPolarHBondContact O-CB 3.44Å; F1273-L1276 PolarHBondContact O-N 3.46Å; F1273-F1299 HydrophobicContact CD1-CE2 4.12Å; F1273-F1299 AromaticContact CD1-CZ 3.96Å; F1273-F1299 HydrophobicContact CD1-CZ 3.96Å; F1273-F1299 HydrophobicContact CE1-CE2 4.5Å; F1273-F1299 AromaticContact CE1-CZ 3.9Å; F1273-F1299 HydrophobicContact CE1-CZ 3.9Å; F1273-F1299 HydrophobicContact CG-CE2 4.14Å; F1273-F1299 HydrophobicContact CG-CZ 4.31Å; F1273-F1299 HydrophobicContact CZ-CZ 4.19Å; F1273-L1332 HydrophobicContact CE2-CD2 4.24Å; F1273-L1332 HydrophobicContact CZ-CD2 3.92Å
1274D82.8Confident80.7Confident76 Ų7666.8 Ų66.841%0.40633%0.334SS..Hα-helixtrans-67.4-38.2175.4-64.9-17.6000111.1K1254 T1270 K1271 L1272 L1276 M1277 E1278K1254-D1274 IonicContact NZ-OD1 2.89Å; K1254-D1274 PolarHBondContact NZ-OD1 3.03Å; T1270-D1274 WeakPolarHBondContact O-CB 3.3Å; T1270-D1274 PolarHBondContact O-N 2.88Å; K1271-D1274 PolarHBondContact O-N 3.02Å; L1272-D1274 VanDerWaalsContact C-N 3.25Å; L1272-D1274 PolarHBondContact O-N 2.88Å; D1274-L1276 VanDerWaalsContact C-N 3.26Å; D1274-L1276 PolarHBondContact O-N 2.9Å; D1274-M1277 CarbonylContact O-C 3.53Å; D1274-M1277 PolarHBondContact O-N 3.3Å; D1274-M1277 VanDerWaalsContact O-N 3.15Å; D1274-E1278 PolarHBondContact O-N 3.46Å; D1274-E1278 VanDerWaalsContact O-N 3.1Å
1275K84.3Confident81.4Confident108 Ų10861.2 Ų61.247%0.4731%0.313SS..Hα-helixtrans-60.8-30.3171.7-75.6-176.2176.1-172.60113.9K1271 L1272 M1277 E1278K1271-K1275 WeakPolarHBondContact O-CG 3.2Å; K1271-K1275 PolarHBondContact O-N 2.92Å; L1272-K1275 WeakPolarHBondContact O-CB 3.43Å; L1272-K1275 PolarHBondContact O-N 3.4Å; K1275-M1277 PolarHBondContact O-N 3.06Å; K1275-E1278 WeakPolarHBondContact O-CB 3.06Å; K1275-E1278 PolarHBondContact O-N 2.84Å
1276L84.3Confident82.2Confident0 Ų063.6 Ų63.60%033%0.331CS..Hα-helixtrans-61.5-34.3177.2178.558.8000111.6Y1250 L1272 F1273 D1274 F1292 N1295 L1296 F1299Y1250-L1276 WeakPolarHBondContact OH-CD2 3.32Å; L1272-L1276 PolarHBondContact O-N 3.01Å; F1273-L1276 WeakPolarHBondContact O-CB 3.44Å; F1273-L1276 PolarHBondContact O-N 3.46Å; D1274-L1276 VanDerWaalsContact C-N 3.26Å; D1274-L1276 PolarHBondContact O-N 2.9Å; L1276-F1292 HydrophobicContact CD1-CD2 4.46Å; L1276-F1292 HydrophobicContact CD1-CE2 3.93Å; L1276-F1292 HydrophobicContact CD1-CZ 4.42Å; L1276-F1292 HydrophobicContact CG-CE2 4.09Å; L1276-N1295 WeakPolarHBondContact O-CB 3.32Å; L1276-N1295 PolarHBondContact O-ND2 2.9Å; L1276-L1296 HydrophobicContact CD1-CB 3.84Å; L1276-L1296 HydrophobicContact CD1-CD1 3.63Å; L1276-L1296 HydrophobicContact CD1-CG 4.34Å; L1276-L1296 HydrophobicContact CD2-CD1 4.41Å; L1276-F1299 HydrophobicContact CB-CB 4.42Å; L1276-F1299 HydrophobicContact CB-CD2 4.04Å; L1276-F1299 HydrophobicContact CB-CG 4.25Å; L1276-F1299 HydrophobicContact CD1-CB 4.11Å; L1276-F1299 HydrophobicContact CD1-CG 4.34Å; L1276-F1299 HydrophobicContact CD2-CD1 4.48Å
1277M85.7Confident82.6Confident49 Ų4969.1 Ų69.124%0.24136%0.355CS..THydrogen-bonded Turntrans-103.89.3179.8-61.3-58.8-65.100113.1I1243 L1244 Y1250 D1274 K1275 V1280 F1292I1243-M1277 HydrophobicContact CG2-CE 4.11Å; I1243-M1277 HydrophobicContact CG2-SD 4.21Å; L1244-M1277 HydrophobicContact CD2-CE 4.31Å; Y1250-M1277 HydrophobicContact CE1-CG 4.39Å; D1274-M1277 CarbonylContact O-C 3.53Å; D1274-M1277 PolarHBondContact O-N 3.3Å; D1274-M1277 VanDerWaalsContact O-N 3.15Å; K1275-M1277 PolarHBondContact O-N 3.06Å; M1277-V1280 HydrophobicContact CE-CB 4.15Å; M1277-V1280 HydrophobicContact CE-CG1 3.81Å; M1277-V1280 WeakPolarHBondContact O-CB 3.18Å; M1277-V1280 PolarHBondContact O-N 3.44Å; M1277-F1292 HydrophobicContact SD-CD2 4.18Å; M1277-F1292 HydrophobicContact SD-CE2 3.93Å
1278E84.8Confident82.9Confident105 Ų10563.4 Ų63.449%0.49133%0.328SS..THydrogen-bonded Turntrans-66.4132.2178.3-176.1172.9-158.900110.5D1274 K1275 V1280 N1295D1274-E1278 PolarHBondContact O-N 3.46Å; D1274-E1278 VanDerWaalsContact O-N 3.1Å; K1275-E1278 WeakPolarHBondContact O-CB 3.06Å; K1275-E1278 PolarHBondContact O-N 2.84Å; E1278-V1280 PolarHBondContact O-N 3.4Å; E1278-N1295 PolarHBondContact O-ND2 3.47Å
1279D82.1Confident83.5Confident137 Ų13762.4 Ų62.473%0.73332%0.316SS*.THydrogen-bonded Turntrans57.212.1-172.2-59-34.9000115.4E1281 T1291D1279-E1281 PolarHBondContact O-N 2.89Å; D1279-T1291 HydrophobicContact CB-CG2 4.38Å
1280V84Confident84.1Confident21 Ų2165.4 Ų65.413%0.12733%0.332CS..  trans-89.5103.4176.4-176.70000109.8L1240 M1277 E1278 N1288 F1292L1240-V1280 HydrophobicContact CD1-CG1 3.68Å; M1277-V1280 HydrophobicContact CE-CB 4.15Å; M1277-V1280 HydrophobicContact CE-CG1 3.81Å; M1277-V1280 WeakPolarHBondContact O-CB 3.18Å; M1277-V1280 PolarHBondContact O-N 3.44Å; E1278-V1280 PolarHBondContact O-N 3.4Å; V1280-N1288 VanDerWaalsContact CA-OD1 3.29Å; V1280-N1288 WeakPolarHBondContact CA-OD1 3.37Å; V1280-F1292 HydrophobicContact CG2-CB 4.22Å; V1280-F1292 HydrophobicContact CG2-CD2 4.31Å
1281E81.6Confident84.5Confident129 Ų12965 Ų6560%0.60333%0.329SS*.  trans-74.7160.9177.8-65.5-179.8174.600111.8D1279 N1283 N1288D1279-E1281 PolarHBondContact O-N 2.89Å; E1281-N1283 WeakPolarHBondContact CB-ND2 3.29Å; E1281-N1283 PolarHBondContact O-N 3.22Å; E1281-N1283 PolarHBondContact OE2-ND2 2.95Å; E1281-N1288 PolarHBondContact N-OD1 2.76Å; E1281-N1288 PolarHBondContact O-ND2 3.25Å
1282C82.7Confident84.9Confident56 Ų5659.5 Ų59.538%0.37831%0.305SS..SBendtrans-77.259173.3-164.90000111.7
1283N83.5Confident85.2Confident32 Ų3259.3 Ų59.317%0.17131%0.305CS..SBendtrans-149.2165.5174.665.657.4000111.1E1281 T1285 N1288E1281-N1283 WeakPolarHBondContact CB-ND2 3.29Å; E1281-N1283 PolarHBondContact O-N 3.22Å; E1281-N1283 PolarHBondContact OE2-ND2 2.95Å; N1283-T1285 WeakPolarHBondContact OD1-CG2 3.49Å; N1283-T1285 PolarHBondContact OD1-N 3.42Å; N1283-T1285 PolarHBondContact OD1-OG1 3.1Å; N1283-N1288 PolarHBondContact O-ND2 2.74Å; N1283-N1288 WeakPolarHBondContact OD1-CB 3.36Å
1284L87Confident85.4Confident24 Ų2465.1 Ų65.113%0.12633%0.332CS..  trans-111.339.2-179.8-64.1177.3000111.9T1106 F1109 L1240 P1241 L1244T1106-L1284 HydrophobicContact CG2-CD1 3.89Å; F1109-L1284 HydrophobicContact CB-CD1 3.76Å; F1109-L1284 HydrophobicContact CD1-CD1 3.36Å; F1109-L1284 HydrophobicContact CD1-CG 3.63Å; F1109-L1284 HydrophobicContact CE1-CD1 4.15Å; F1109-L1284 HydrophobicContact CE1-CG 3.9Å; F1109-L1284 HydrophobicContact CG-CD1 3.67Å; F1109-L1284 HydrophobicContact CG-CG 4.19Å; L1240-L1284 HydrophobicContact CD2-CD2 4.08Å; L1240-L1284 HydrophobicContact CG-CD2 4.05Å; P1241-L1284 HydrophobicContact CB-CD1 3.91Å; P1241-L1284 HydrophobicContact CB-CD2 3.96Å; L1244-L1284 HydrophobicContact CD1-CD2 3.84Å
1285T85.8Confident85.7Confident71 Ų7162.8 Ų62.844%0.43632%0.32SS..  trans-66.5152.4174.262.10000110.7N1283 K1287 N1288 R1289N1283-T1285 WeakPolarHBondContact OD1-CG2 3.49Å; N1283-T1285 PolarHBondContact OD1-N 3.42Å; N1283-T1285 PolarHBondContact OD1-OG1 3.1Å; T1285-K1287 VanDerWaalsContact C-N 3.28Å; T1285-K1287 PolarHBondContact O-N 3.32Å; T1285-N1288 PolarHBondContact O-N 3.48Å; T1285-N1288 VanDerWaalsContact O-N 3.1Å; T1285-N1288 VanDerWaalsContact OG1-CB 3.23Å; T1285-N1288 WeakPolarHBondContact OG1-CB 3.48Å; T1285-N1288 PolarHBondContact OG1-N 2.83Å; T1285-R1289 PolarHBondContact O-N 3.27Å
1286V85.7Confident85.8Confident101 Ų10157.7 Ų57.761%0.61230%0.297SS*.Hα-helixtrans-56.5-45.5179.6179.70000110.7N1288 R1289 D1290V1286-N1288 VanDerWaalsContact C-N 3.34Å; V1286-N1288 PolarHBondContact O-N 3.47Å; V1286-R1289 WeakPolarHBondContact O-CB 3.43Å; V1286-R1289 PolarHBondContact O-N 2.76Å; V1286-D1290 VanDerWaalsContact O-CG 3.31Å; V1286-D1290 PolarHBondContact O-N 3.5Å
1287K84Confident85.7Confident171 Ų17159.4 Ų59.474%0.74331%0.309SS*.Hα-helixtrans-55.4-47.4175.1-171.5-175.9178-168.60111.7T1285 R1289 D1290 T1291T1285-K1287 VanDerWaalsContact C-N 3.28Å; T1285-K1287 PolarHBondContact O-N 3.32Å; K1287-R1289 PolarHBondContact O-N 3.16Å; K1287-D1290 PolarHBondContact O-N 3.48Å; K1287-T1291 WeakPolarHBondContact O-CB 3.45Å; K1287-T1291 PolarHBondContact O-N 3.49Å; K1287-T1291 PolarHBondContact O-OG1 2.91Å
1288N86.1Confident85.5Confident7 Ų760.6 Ų60.64%0.03732%0.32CS..Hα-helixtrans-66.2-37.1-179.6-161.444.6000112.6V1280 E1281 N1283 T1285 V1286 F1292V1280-N1288 VanDerWaalsContact CA-OD1 3.29Å; V1280-N1288 WeakPolarHBondContact CA-OD1 3.37Å; E1281-N1288 PolarHBondContact N-OD1 2.76Å; E1281-N1288 PolarHBondContact O-ND2 3.25Å; N1283-N1288 PolarHBondContact O-ND2 2.74Å; N1283-N1288 WeakPolarHBondContact OD1-CB 3.36Å; T1285-N1288 PolarHBondContact O-N 3.48Å; T1285-N1288 VanDerWaalsContact O-N 3.1Å; T1285-N1288 VanDerWaalsContact OG1-CB 3.23Å; T1285-N1288 WeakPolarHBondContact OG1-CB 3.48Å; T1285-N1288 PolarHBondContact OG1-N 2.83Å; V1286-N1288 VanDerWaalsContact C-N 3.34Å; V1286-N1288 PolarHBondContact O-N 3.47Å; N1288-F1292 WeakPolarHBondContact O-CB 3.33Å; N1288-F1292 PolarHBondContact O-N 3.42Å
1289R88.2Confident85.3Confident34 Ų3455.8 Ų55.813%0.12830%0.297CS..Hα-helixtrans-62-46.5173-72.4173.8171.3-135.6-21.2111.7D1102 T1106 L1240 T1285 V1286 K1287 F1292 T1293D1102-R1289 IonicContact OD1-CZ 3.5Å; D1102-R1289 IonicContact OD1-NH1 3.39Å; D1102-R1289 PolarHBondContact OD1-NH1 3.18Å; D1102-R1289 IonicContact OD1-NH2 3.44Å; D1102-R1289 PolarHBondContact OD1-NH2 3.49Å; D1102-R1289 IonicContact OD2-CZ 2.72Å; D1102-R1289 IonicContact OD2-NH1 3.59Å; D1102-R1289 PolarHBondContact OD2-NH1 3.16Å; D1102-R1289 IonicContact OD2-NH2 2.79Å; T1106-R1289 PolarHBondContact OG1-NH2 2.8Å; L1240-R1289 HydrophobicContact CD2-CG 3.99Å; T1285-R1289 PolarHBondContact O-N 3.27Å; V1286-R1289 WeakPolarHBondContact O-CB 3.43Å; V1286-R1289 PolarHBondContact O-N 2.76Å; K1287-R1289 PolarHBondContact O-N 3.16Å; R1289-F1292 PolarHBondContact O-N 3.38Å; R1289-T1293 PolarHBondContact O-N 2.89Å; R1289-T1293 PolarHBondContact O-OG1 3.49Å; R1289-T1293 VanDerWaalsContact O-OG1 3.13Å
1290D88Confident84.9Confident67 Ų6750.4 Ų50.436%0.35827%0.267SS..Hα-helixtrans-68.4-38.6-179.3-63-26.5000111.2R1237 V1286 K1287 T1293 Q1294R1237-D1290 IonicContact CZ-OD1 3.67Å; R1237-D1290 IonicContact NH1-OD1 2.76Å; R1237-D1290 PolarHBondContact NH1-OD1 3.48Å; R1237-D1290 IonicContact NH2-OD1 3.6Å; R1237-D1290 PolarHBondContact NH2-OD1 3.34Å; V1286-D1290 VanDerWaalsContact O-CG 3.31Å; V1286-D1290 PolarHBondContact O-N 3.5Å; K1287-D1290 PolarHBondContact O-N 3.48Å; D1290-T1293 PolarHBondContact O-N 3.41Å; D1290-Q1294 WeakPolarHBondContact O-CB 3.43Å; D1290-Q1294 PolarHBondContact O-N 2.95Å
1291T89.1Confident84.3Confident33 Ų3355.5 Ų55.520%0.20229%0.289CS..Hα-helixtrans-57-48.8169.8-62.80000110.9D1279 K1287 T1293 Q1294 N1295D1279-T1291 HydrophobicContact CB-CG2 4.38Å; K1287-T1291 WeakPolarHBondContact O-CB 3.45Å; K1287-T1291 PolarHBondContact O-N 3.49Å; K1287-T1291 PolarHBondContact O-OG1 2.91Å; T1291-T1293 PolarHBondContact O-N 3.27Å; T1291-Q1294 PolarHBondContact O-N 2.81Å; T1291-N1295 WeakPolarHBondContact O-CB 3.32Å; T1291-N1295 PolarHBondContact O-N 3.48Å; T1291-N1295 PolarHBondContact O-OD1 2.95Å
1292F90.1Very high84Confident1 Ų150.9 Ų50.90%0.00427%0.271CS..Hα-helixtrans-61.3-44.2176.7176.8-99.5000112.6L1239 L1240 I1243 L1276 M1277 V1280 N1288 R1289 Q1294 N1295 L1296L1239-F1292 HydrophobicContact CB-CE1 4.22Å; L1239-F1292 HydrophobicContact CD2-CE1 4.16Å; L1239-F1292 HydrophobicContact CD2-CZ 3.98Å; L1239-F1292 HydrophobicContact CG-CE1 4.2Å; L1239-F1292 HydrophobicContact CG-CZ 4.04Å; L1240-F1292 HydrophobicContact CB-CD1 3.73Å; L1240-F1292 HydrophobicContact CB-CE1 3.98Å; L1240-F1292 HydrophobicContact CB-CG 4.08Å; L1240-F1292 HydrophobicContact CD1-CB 4.26Å; L1240-F1292 HydrophobicContact CD1-CD1 4.46Å; L1240-F1292 HydrophobicContact CD1-CD2 3.93Å; L1240-F1292 HydrophobicContact CD1-CE2 4.39Å; L1240-F1292 HydrophobicContact CD1-CG 3.95Å; L1240-F1292 HydrophobicContact CD2-CB 4.04Å; L1240-F1292 HydrophobicContact CD2-CG 4.36Å; L1240-F1292 HydrophobicContact CG-CD1 4.48Å; L1240-F1292 HydrophobicContact CG-CG 4.35Å; I1243-F1292 HydrophobicContact CD1-CE2 4Å; I1243-F1292 HydrophobicContact CD1-CZ 3.74Å; L1276-F1292 HydrophobicContact CD1-CD2 4.46Å; L1276-F1292 HydrophobicContact CD1-CE2 3.93Å; L1276-F1292 HydrophobicContact CD1-CZ 4.42Å; L1276-F1292 HydrophobicContact CG-CE2 4.09Å; M1277-F1292 HydrophobicContact SD-CD2 4.18Å; M1277-F1292 HydrophobicContact SD-CE2 3.93Å; V1280-F1292 HydrophobicContact CG2-CB 4.22Å; V1280-F1292 HydrophobicContact CG2-CD2 4.31Å; N1288-F1292 WeakPolarHBondContact O-CB 3.33Å; N1288-F1292 PolarHBondContact O-N 3.42Å; R1289-F1292 PolarHBondContact O-N 3.38Å; F1292-Q1294 VanDerWaalsContact C-N 3.29Å; F1292-Q1294 PolarHBondContact O-N 3.24Å; F1292-N1295 PolarHBondContact O-N 3.2Å; F1292-L1296 HydrophobicContact CE1-CD2 4.08Å; F1292-L1296 HydrophobicContact CZ-CD2 4.46Å; F1292-L1296 VanDerWaalsContact O-CB 3.24Å; F1292-L1296 WeakPolarHBondContact O-CB 3.11Å; F1292-L1296 PolarHBondContact O-N 3.36Å
1293T87.3Confident83.3Confident16 Ų1648.9 Ų48.910%0.09826%0.257CS..Hα-helixtrans-62-37.7176.9-60.20000111.7S1236 R1289 D1290 T1291 S1297S1236-T1293 WeakPolarHBondContact OG-CG2 3.19Å; S1236-T1293 PolarHBondContact OG-OG1 3.03Å; R1289-T1293 PolarHBondContact O-N 2.89Å; R1289-T1293 PolarHBondContact O-OG1 3.49Å; R1289-T1293 VanDerWaalsContact O-OG1 3.13Å; D1290-T1293 PolarHBondContact O-N 3.41Å; T1291-T1293 PolarHBondContact O-N 3.27Å; T1293-S1297 PolarHBondContact O-N 3.24Å; T1293-S1297 VanDerWaalsContact O-N 3.09Å; T1293-S1297 PolarHBondContact O-OG 3.31Å
1294Q86.5Confident82.4Confident130 Ų13048 Ų4861%0.60725%0.253SS*.Hα-helixtrans-68.5-46.5174.3-172.81754.600111.6D1290 T1291 F1292 L1296 S1297 T1298D1290-Q1294 WeakPolarHBondContact O-CB 3.43Å; D1290-Q1294 PolarHBondContact O-N 2.95Å; T1291-Q1294 PolarHBondContact O-N 2.81Å; F1292-Q1294 VanDerWaalsContact C-N 3.29Å; F1292-Q1294 PolarHBondContact O-N 3.24Å; Q1294-L1296 VanDerWaalsContact C-N 3.27Å; Q1294-L1296 PolarHBondContact O-N 3.34Å; Q1294-S1297 WeakPolarHBondContact O-CA 3.18Å; Q1294-S1297 WeakPolarHBondContact O-CB 3.31Å; Q1294-S1297 PolarHBondContact O-N 3.01Å; Q1294-S1297 VanDerWaalsContact O-N 3.1Å; Q1294-T1298 PolarHBondContact O-N 3.49Å; Q1294-T1298 PolarHBondContact O-OG1 3.4Å; Q1294-T1298 VanDerWaalsContact O-OG1 3.11Å
1295N88.2Confident81.2Confident27 Ų2750.5 Ų50.514%0.14427%0.267CS..Hα-helixtrans-59.4-39.1175.4-70.5-4.8000111.5L1276 E1278 T1291 F1292 S1297 T1298 F1299L1276-N1295 WeakPolarHBondContact O-CB 3.32Å; L1276-N1295 PolarHBondContact O-ND2 2.9Å; E1278-N1295 PolarHBondContact O-ND2 3.47Å; T1291-N1295 WeakPolarHBondContact O-CB 3.32Å; T1291-N1295 PolarHBondContact O-N 3.48Å; T1291-N1295 PolarHBondContact O-OD1 2.95Å; F1292-N1295 PolarHBondContact O-N 3.2Å; N1295-S1297 VanDerWaalsContact C-N 3.33Å; N1295-S1297 PolarHBondContact O-N 2.63Å; N1295-T1298 PolarHBondContact O-N 2.98Å; N1295-F1299 WeakPolarHBondContact O-CA 3.48Å; N1295-F1299 WeakPolarHBondContact O-CB 3.44Å; N1295-F1299 PolarHBondContact O-N 2.92Å
1296L86.1Confident80.2Confident1 Ų148.6 Ų48.61%0.00525%0.252CS..Hα-helixtrans-65.5-37.8176.3-173.262000111.8V1224 L1239 L1276 F1292 Q1294 K1300V1224-L1296 HydrophobicContact CB-CD2 4.44Å; V1224-L1296 HydrophobicContact CG1-CD1 4.02Å; V1224-L1296 HydrophobicContact CG1-CD2 3.45Å; V1224-L1296 VanDerWaalsContact CG1-CD2 3.45Å; V1224-L1296 HydrophobicContact CG1-CG 3.74Å; L1239-L1296 HydrophobicContact CD2-CD1 4.46Å; L1239-L1296 HydrophobicContact CD2-CD2 4.01Å; L1276-L1296 HydrophobicContact CD1-CB 3.84Å; L1276-L1296 HydrophobicContact CD1-CD1 3.63Å; L1276-L1296 HydrophobicContact CD1-CG 4.34Å; L1276-L1296 HydrophobicContact CD2-CD1 4.41Å; F1292-L1296 HydrophobicContact CE1-CD2 4.08Å; F1292-L1296 HydrophobicContact CZ-CD2 4.46Å; F1292-L1296 VanDerWaalsContact O-CB 3.24Å; F1292-L1296 WeakPolarHBondContact O-CB 3.11Å; F1292-L1296 PolarHBondContact O-N 3.36Å; Q1294-L1296 VanDerWaalsContact C-N 3.27Å; Q1294-L1296 PolarHBondContact O-N 3.34Å; L1296-K1300 VanDerWaalsContact O-CB 3.3Å; L1296-K1300 WeakPolarHBondContact O-CB 3.42Å; L1296-K1300 PolarHBondContact O-N 3.42Å
1297S82.6Confident78.9Confident36 Ų3644.9 Ų44.925%0.25223%0.229SC..Hα-helixtrans-65.3-48.1172.8-55.20000111.1Q1232 T1293 Q1294 N1295 K1300 H1301Q1232-S1297 PolarHBondContact NE2-OG 3.19Å; T1293-S1297 PolarHBondContact O-N 3.24Å; T1293-S1297 VanDerWaalsContact O-N 3.09Å; T1293-S1297 PolarHBondContact O-OG 3.31Å; Q1294-S1297 WeakPolarHBondContact O-CA 3.18Å; Q1294-S1297 WeakPolarHBondContact O-CB 3.31Å; Q1294-S1297 PolarHBondContact O-N 3.01Å; Q1294-S1297 VanDerWaalsContact O-N 3.1Å; N1295-S1297 VanDerWaalsContact C-N 3.33Å; N1295-S1297 PolarHBondContact O-N 2.63Å; S1297-K1300 PolarHBondContact O-N 3.36Å; S1297-H1301 PolarHBondContact O-N 2.95Å; S1297-H1301 PolarHBondContact O-ND1 3.24Å
1298T82Confident77.3Confident74 Ų7442.2 Ų42.245%0.45422%0.217SC..Hα-helixtrans-63.6-41.1176.8-54.40000112Q1294 N1295 H1301 S1302Q1294-T1298 PolarHBondContact O-N 3.49Å; Q1294-T1298 PolarHBondContact O-OG1 3.4Å; Q1294-T1298 VanDerWaalsContact O-OG1 3.11Å; N1295-T1298 PolarHBondContact O-N 2.98Å; T1298-H1301 PolarHBondContact O-N 3.49Å; T1298-S1302 VanDerWaalsContact O-CB 3.22Å; T1298-S1302 WeakPolarHBondContact O-CB 3.48Å; T1298-S1302 PolarHBondContact O-N 3.06Å; T1298-S1302 PolarHBondContact O-OG 3.09Å
1299F81.3Confident75.3Confident4 Ų449.5 Ų49.52%0.01825%0.249CC..Hα-helixtrans-58.6-48.6175.8173.7-99.2000109.9I1225 L1272 F1273 L1276 N1295 S1302 L1303 L1332I1225-F1299 HydrophobicContact CD1-CE1 3.81Å; I1225-F1299 HydrophobicContact CG1-CD1 4.49Å; I1225-F1299 HydrophobicContact CG1-CE1 3.9Å; L1272-F1299 HydrophobicContact CB-CD2 4.19Å; L1272-F1299 HydrophobicContact CB-CE2 3.88Å; L1272-F1299 WeakPolarHBondContact O-CD2 3.14Å; L1272-F1299 WeakPolarHBondContact O-CE2 3.11Å; F1273-F1299 HydrophobicContact CD1-CE2 4.12Å; F1273-F1299 AromaticContact CD1-CZ 3.96Å; F1273-F1299 HydrophobicContact CD1-CZ 3.96Å; F1273-F1299 HydrophobicContact CE1-CE2 4.5Å; F1273-F1299 AromaticContact CE1-CZ 3.9Å; F1273-F1299 HydrophobicContact CE1-CZ 3.9Å; F1273-F1299 HydrophobicContact CG-CE2 4.14Å; F1273-F1299 HydrophobicContact CG-CZ 4.31Å; F1273-F1299 HydrophobicContact CZ-CZ 4.19Å; L1276-F1299 HydrophobicContact CB-CB 4.42Å; L1276-F1299 HydrophobicContact CB-CD2 4.04Å; L1276-F1299 HydrophobicContact CB-CG 4.25Å; L1276-F1299 HydrophobicContact CD1-CB 4.11Å; L1276-F1299 HydrophobicContact CD1-CG 4.34Å; L1276-F1299 HydrophobicContact CD2-CD1 4.48Å; N1295-F1299 WeakPolarHBondContact O-CA 3.48Å; N1295-F1299 WeakPolarHBondContact O-CB 3.44Å; N1295-F1299 PolarHBondContact O-N 2.92Å; F1299-S1302 PolarHBondContact O-N 3.49Å; F1299-L1303 HydrophobicContact CE1-CD2 4.15Å; F1299-L1303 HydrophobicContact CZ-CD2 4.44Å; F1299-L1303 WeakPolarHBondContact O-CB 3.21Å; F1299-L1303 PolarHBondContact O-N 3.15Å; F1299-L1332 HydrophobicContact CZ-CD2 4.49Å
1300K73.4Confident73.2Confident23 Ų2350.7 Ų50.710%0.126%0.26CS..Hα-helixtrans-61.1-45.9177.4-177.8179.9175.9177.80112.6Q1226 E1227 L1296 S1297 L1303 S1304Q1226-K1300 VanDerWaalsContact O-CE 3.23Å; Q1226-K1300 WeakPolarHBondContact O-CE 3.27Å; Q1226-K1300 PolarHBondContact O-NZ 3.29Å; E1227-K1300 VanDerWaalsContact C-CE 3.46Å; E1227-K1300 VanDerWaalsContact C-NZ 3.29Å; E1227-K1300 VanDerWaalsContact CA-CE 3.43Å; E1227-K1300 WeakPolarHBondContact O-CE 3.36Å; E1227-K1300 PolarHBondContact O-NZ 2.97Å; L1296-K1300 VanDerWaalsContact O-CB 3.3Å; L1296-K1300 WeakPolarHBondContact O-CB 3.42Å; L1296-K1300 PolarHBondContact O-N 3.42Å; S1297-K1300 PolarHBondContact O-N 3.36Å; K1300-L1303 PolarHBondContact O-N 2.89Å; K1300-S1304 PolarHBondContact O-N 2.92Å
1301H72Confident70.8Confident128 Ų12849.7 Ų49.759%0.59326%0.258SS*.Hα-helixtrans-64.1-46.1176.6-73.972.6000111.3S1297 T1298 L1303 S1304 D1305S1297-H1301 PolarHBondContact O-N 2.95Å; S1297-H1301 PolarHBondContact O-ND1 3.24Å; T1298-H1301 PolarHBondContact O-N 3.49Å; H1301-L1303 VanDerWaalsContact C-N 3.26Å; H1301-L1303 PolarHBondContact O-N 3.2Å; H1301-S1304 PolarHBondContact O-N 3.45Å; H1301-D1305 PolarHBondContact O-N 3.04Å
1302S74.5Confident67.9Low32 Ų3251.8 Ų51.822%0.22428%0.279CS..Hα-helixtrans-65.5-31.6178.1-56.80000112L1272 T1298 F1299 F1306L1272-S1302 VanDerWaalsContact CD2-CB 3.46Å; T1298-S1302 VanDerWaalsContact O-CB 3.22Å; T1298-S1302 WeakPolarHBondContact O-CB 3.48Å; T1298-S1302 PolarHBondContact O-N 3.06Å; T1298-S1302 PolarHBondContact O-OG 3.09Å; F1299-S1302 PolarHBondContact O-N 3.49Å; S1302-F1306 WeakPolarHBondContact O-CB 3.19Å; S1302-F1306 PolarHBondContact O-N 2.74Å
1303L68.3Low65Low14 Ų1460.7 Ų60.77%0.07332%0.317CS..Hα-helixtrans-72.6-42.1174.9-175.470.4000110.9I1225 L1272 F1299 K1300 H1301 D1305 F1306 L1307 L1332I1225-L1303 HydrophobicContact CG2-CD2 3.61Å; L1272-L1303 HydrophobicContact CD1-CD1 4.28Å; F1299-L1303 HydrophobicContact CE1-CD2 4.15Å; F1299-L1303 HydrophobicContact CZ-CD2 4.44Å; F1299-L1303 WeakPolarHBondContact O-CB 3.21Å; F1299-L1303 PolarHBondContact O-N 3.15Å; K1300-L1303 PolarHBondContact O-N 2.89Å; H1301-L1303 VanDerWaalsContact C-N 3.26Å; H1301-L1303 PolarHBondContact O-N 3.2Å; L1303-D1305 VanDerWaalsContact C-N 3.31Å; L1303-D1305 PolarHBondContact O-N 3.39Å; L1303-F1306 HydrophobicContact CD1-CD1 4.33Å; L1303-F1306 PolarHBondContact O-N 3.41Å; L1303-L1307 HydrophobicContact CG-CD1 4.32Å; L1303-L1307 WeakPolarHBondContact O-CB 3.34Å; L1303-L1307 VanDerWaalsContact O-CG 3.23Å; L1303-L1307 WeakPolarHBondContact O-CG 3.18Å; L1303-L1307 PolarHBondContact O-N 2.88Å; L1303-L1332 HydrophobicContact CD1-CD2 3.8Å; L1303-L1332 HydrophobicContact CD2-CB 4.45Å; L1303-L1332 HydrophobicContact CD2-CD2 3.56Å; L1303-L1332 HydrophobicContact CG-CD2 4.33Å
1304S63.3Low62.5Low15 Ų1565.8 Ų65.811%0.10535%0.351CS..Hα-helixtrans-59.4-45171.5-170.60000110.3E1227 K1300 H1301 L1307 K1308E1227-S1304 WeakPolarHBondContact OE1-CB 3.28Å; E1227-S1304 PolarHBondContact OE1-OG 3.16Å; K1300-S1304 PolarHBondContact O-N 2.92Å; H1301-S1304 PolarHBondContact O-N 3.45Å; S1304-L1307 PolarHBondContact O-N 3.49Å; S1304-K1308 WeakPolarHBondContact O-CB 3Å; S1304-K1308 VanDerWaalsContact O-CG 3.22Å; S1304-K1308 WeakPolarHBondContact O-CG 3.48Å; S1304-K1308 PolarHBondContact O-N 3.39Å; S1304-K1308 WeakPolarHBondContact OG-CE 3.46Å; S1304-K1308 PolarHBondContact OG-NZ 3.1Å
1305D63.5Low59.8Low76 Ų7667 Ų6741%0.40636%0.362SS..Hα-helixtrans-66.2-35.4174.8-76.1-9.7000112.9H1301 L1303 K1308 K1309H1301-D1305 PolarHBondContact O-N 3.04Å; L1303-D1305 VanDerWaalsContact C-N 3.31Å; L1303-D1305 PolarHBondContact O-N 3.39Å; D1305-K1308 CarbonylContact O-C 3.26Å; D1305-K1308 PolarHBondContact O-N 3.26Å; D1305-K1309 VanDerWaalsContact O-CB 3.22Å; D1305-K1309 WeakPolarHBondContact O-CB 3.46Å; D1305-K1309 VanDerWaalsContact O-CG 3.31Å; D1305-K1309 WeakPolarHBondContact O-CG 3.43Å; D1305-K1309 PolarHBondContact O-N 2.95Å
1306F64.3Low57.1Low31 Ų3173.1 Ų73.114%0.13639%0.394CS..Hα-helixtrans-66-44.1175.4175.6-106.9000110.8K1265 L1272 S1302 L1303 K1308 K1309 T1310K1265-F1306 HydrophobicContact CB-CZ 3.95Å; K1265-F1306 HydrophobicContact CD-CZ 4.39Å; K1265-F1306 HydrophobicContact CG-CZ 4.23Å; L1272-F1306 HydrophobicContact CD1-CB 3.75Å; L1272-F1306 HydrophobicContact CD1-CD1 4.06Å; L1272-F1306 HydrophobicContact CD1-CD2 4.17Å; L1272-F1306 HydrophobicContact CD1-CG 3.73Å; S1302-F1306 WeakPolarHBondContact O-CB 3.19Å; S1302-F1306 PolarHBondContact O-N 2.74Å; L1303-F1306 HydrophobicContact CD1-CD1 4.33Å; L1303-F1306 PolarHBondContact O-N 3.41Å; F1306-K1308 VanDerWaalsContact C-N 3.27Å; F1306-K1308 PolarHBondContact O-N 3.46Å; F1306-K1309 PolarHBondContact O-N 3.29Å; F1306-T1310 WeakPolarHBondContact O-CG2 3.46Å; F1306-T1310 PolarHBondContact O-N 2.91Å; F1306-T1310 PolarHBondContact O-OG1 3.07Å; F1306-T1310 VanDerWaalsContact O-OG1 3.08Å
1307L57.6Low54.4Low22 Ų2279 Ų7912%0.11543%0.43CS..Hα-helixtrans-66.2-28.9174-65172.5000111.9L1303 S1304 T1310 Y1329L1303-L1307 HydrophobicContact CG-CD1 4.32Å; L1303-L1307 WeakPolarHBondContact O-CB 3.34Å; L1303-L1307 VanDerWaalsContact O-CG 3.23Å; L1303-L1307 WeakPolarHBondContact O-CG 3.18Å; L1303-L1307 PolarHBondContact O-N 2.88Å; S1304-L1307 PolarHBondContact O-N 3.49Å; L1307-T1310 PolarHBondContact O-OG1 3.21Å; L1307-Y1329 WeakPolarHBondContact O-CE1 3.26Å
1308K50Low51.7Low115 Ų11586.3 Ų86.350%0.546%0.458SS..Hα-helixtrans-85.2-31.2174.5-72.6170.2-175.6167.30114.7S1304 D1305 F1306 S1311S1304-K1308 WeakPolarHBondContact O-CB 3Å; S1304-K1308 VanDerWaalsContact O-CG 3.22Å; S1304-K1308 WeakPolarHBondContact O-CG 3.48Å; S1304-K1308 PolarHBondContact O-N 3.39Å; S1304-K1308 WeakPolarHBondContact OG-CE 3.46Å; S1304-K1308 PolarHBondContact OG-NZ 3.1Å; D1305-K1308 CarbonylContact O-C 3.26Å; D1305-K1308 PolarHBondContact O-N 3.26Å; F1306-K1308 VanDerWaalsContact C-N 3.27Å; F1306-K1308 PolarHBondContact O-N 3.46Å; K1308-S1311 WeakPolarHBondContact O-CB 3.31Å; K1308-S1311 PolarHBondContact O-N 3.47Å; K1308-S1311 PolarHBondContact O-OG 3.14Å
1309K45.1Very low49.1Very low160 Ų16087.2 Ų87.270%0.69647%0.467SS*.Hα-helixtrans-79.9-23-179.7-79.8-179.6-179.3176.80112D1305 F1306 S1311 A1312D1305-K1309 VanDerWaalsContact O-CB 3.22Å; D1305-K1309 WeakPolarHBondContact O-CB 3.46Å; D1305-K1309 VanDerWaalsContact O-CG 3.31Å; D1305-K1309 WeakPolarHBondContact O-CG 3.43Å; D1305-K1309 PolarHBondContact O-N 2.95Å; F1306-K1309 PolarHBondContact O-N 3.29Å; K1309-S1311 PolarHBondContact O-N 2.93Å; K1309-A1312 PolarHBondContact O-N 2.92Å
1310T43.6Very low46.4Very low60 Ų6096.5 Ų96.537%0.36851%0.511SS..THydrogen-bonded Turntrans-64.55.4163.248.50000113.7K1265 F1306 L1307K1265-T1310 HydrophobicContact CD-CG2 4.07Å; K1265-T1310 VanDerWaalsContact CE-CG2 3.49Å; F1306-T1310 WeakPolarHBondContact O-CG2 3.46Å; F1306-T1310 PolarHBondContact O-N 2.91Å; F1306-T1310 PolarHBondContact O-OG1 3.07Å; F1306-T1310 VanDerWaalsContact O-OG1 3.08Å; L1307-T1310 PolarHBondContact O-OG1 3.21Å
1311S38.9Very low44.1Very low46 Ų46101.8 Ų101.832%0.32255%0.545SS..THydrogen-bonded Turntrans-115.6-5.7-174.11250000113.3K1308 K1309 E1327K1308-S1311 WeakPolarHBondContact O-CB 3.31Å; K1308-S1311 PolarHBondContact O-N 3.47Å; K1308-S1311 PolarHBondContact O-OG 3.14Å; K1309-S1311 PolarHBondContact O-N 2.93Å; S1311-E1327 VanDerWaalsContact CB-CD 3.4Å; S1311-E1327 WeakPolarHBondContact CB-OE1 3.43Å; S1311-E1327 PolarHBondContact OG-OE1 3.31Å
1312A28.4Very low41.9Very low77 Ų77105.5 Ų105.564%0.63656%0.563SS**SBendtrans-114.2107.2-174.800000114.9K1309K1309-A1312 PolarHBondContact O-N 2.92Å
1313K27.9Very low39.5Very low187 Ų187106.8 Ų106.881%0.81358%0.581SS**  trans47119.8153.5-65.6-174.9177-1750120.3
1314P34.2Very low37.6Very low124 Ų124112 Ų11281%0.80561%0.609SS**  trans-77.4141.1149.315.80.5000110.4
1315D31.1Very low35.8Very low156 Ų156117.7 Ų117.783%0.83464%0.638SS**  trans-56.9149.8-171.7-76.2-46.9000115.7T1317D1315-T1317 PolarHBondContact O-N 3.49Å
1316D30.3Very low34.2Very low154 Ų154116.9 Ų116.982%0.82463%0.63SS**  trans-34.4112.1175.9-67.1-44.1000115.1
1317T29.3Very low32.7Very low125 Ų125119 Ų11977%0.76764%0.64SS**  -173.3139.8129.920.70000109.5D1315D1315-T1317 PolarHBondContact O-N 3.49Å
1318F27.1Very low31.4Very low189 Ų189122 Ų12283%0.82966%0.66SS**SBendtrans91.892176.1-67.3-83.9000118.5
1319S26.9Very low30.9Very low93 Ų93118.9 Ų118.965%0.6565%0.645SS**  trans41.4106.2130.659.20000119.3T1321S1319-T1321 PolarHBondContact O-N 3.33Å
1320Q25.2Very low30.9Very low200 Ų200114.8 Ų114.894%0.93563%0.63SS**  trans17.686141.1-66.5-179.4-6.500116.7
1321T25.5Very low31.5Very low134 Ų134113.1 Ų113.182%0.82262%0.621SS**  trans-145.7128.614129.60000107.8S1319 G1323S1319-T1321 PolarHBondContact O-N 3.33Å; T1321-G1323 PolarHBondContact O-N 2.92Å
1322E24.9Very low32.6Very low206 Ų206111.4 Ų111.496%0.96361%0.608SS**  trans-60.596179.3-65.3175.7153.900109.6
1323G24.9Very low34.1Very low58 Ų58108 Ų10860%0.59858%0.58SS**  trans-106.1112.9176.100000110.4T1321 N1325T1321-G1323 PolarHBondContact O-N 2.92Å; G1323-N1325 PolarHBondContact O-N 3.3Å; G1323-N1325 VanDerWaalsContact O-N 3.1Å
1324N26.9Very low35.6Very low124 Ų124101.1 Ų101.166%0.66356%0.556SS**  trans-63.3103.9172.9-72-20000109.8Y1326N1324-Y1326 HydrophobicContact CB-CD2 4.4Å; N1324-Y1326 HydrophobicContact CB-CE2 3.7Å; N1324-Y1326 VanDerWaalsContact O-CD2 3.28Å; N1324-Y1326 WeakPolarHBondContact O-CD2 3.37Å; N1324-Y1326 PolarHBondContact O-N 3.01Å
1325N25.7Very low37.1Very low135 Ų13595.4 Ų95.472%0.72252%0.519SS*.  trans-76.9103.6174.6-76.9-16.8000109.7G1323G1323-N1325 PolarHBondContact O-N 3.3Å; G1323-N1325 VanDerWaalsContact O-N 3.1Å
1326Y30.7Very low38.8Very low58 Ų5888 Ų8823%0.22748%0.48CS..  trans-83118.1174.9-65.1-78.2000110.6P124 C127 N1324P124-Y1326 HydrophobicContact CB-CD2 4.22Å; P124-Y1326 HydrophobicContact CB-CE1 4.08Å; P124-Y1326 HydrophobicContact CB-CE2 3.63Å; C127-Y1326 HydrophobicContact CB-CD1 4.14Å; C127-Y1326 HydrophobicContact CB-CE1 3.67Å; N1324-Y1326 HydrophobicContact CB-CD2 4.4Å; N1324-Y1326 HydrophobicContact CB-CE2 3.7Å; N1324-Y1326 VanDerWaalsContact O-CD2 3.28Å; N1324-Y1326 WeakPolarHBondContact O-CD2 3.37Å; N1324-Y1326 PolarHBondContact O-N 3.01Å
1327E31.7Very low40.5Very low76 Ų7681.3 Ų81.336%0.35545%0.445SS..  trans-89.8133.5-173.6-67.3170.9160.400112S119 S1311 Y1329S119-E1327 PolarHBondContact OG-O 3.08Å; S1311-E1327 VanDerWaalsContact CB-CD 3.4Å; S1311-E1327 WeakPolarHBondContact CB-OE1 3.43Å; S1311-E1327 PolarHBondContact OG-OE1 3.31Å; E1327-Y1329 HydrophobicContact CB-CD2 4.09Å; E1327-Y1329 HydrophobicContact CB-CE2 3.51Å; E1327-Y1329 HydrophobicContact CG-CE2 4.48Å; E1327-Y1329 VanDerWaalsContact OE2-CE2 3.26Å; E1327-Y1329 WeakPolarHBondContact OE2-CE2 3.33Å; E1327-Y1329 PolarHBondContact OE2-OH 2.96Å
1328T30.5Very low42.2Very low86 Ų8680.3 Ų80.353%0.52843%0.432SS..  trans-90.6114.8178.7-31.10000110.9S119S119-T1328 WeakPolarHBondContact O-CG2 3.41Å; S119-T1328 VanDerWaalsContact OG-CA 3.29Å; S119-T1328 WeakPolarHBondContact OG-CA 3.27Å; S119-T1328 PolarHBondContact OG-OG1 3.39Å
1329Y40.6Very low44.3Very low48 Ų4871.3 Ų71.319%0.18839%0.392CS..  trans-113.699.5-174-75.8-67.9000113L117 K176 L1307 E1327L117-Y1329 HydrophobicContact CD2-CD2 4.12Å; K176-Y1329 VanDerWaalsContact NZ-CE1 3.26Å; L1307-Y1329 WeakPolarHBondContact O-CE1 3.26Å; E1327-Y1329 HydrophobicContact CB-CD2 4.09Å; E1327-Y1329 HydrophobicContact CB-CE2 3.51Å; E1327-Y1329 HydrophobicContact CG-CE2 4.48Å; E1327-Y1329 VanDerWaalsContact OE2-CE2 3.26Å; E1327-Y1329 WeakPolarHBondContact OE2-CE2 3.33Å; E1327-Y1329 PolarHBondContact OE2-OH 2.96Å
1330L45Very low46.3Very low74 Ų7466.9 Ų66.939%0.38736%0.361SS..  trans-75.6126.8171-161.580.1000110.8L1261 L1332L1261-L1330 HydrophobicContact CD2-CB 4.5Å; L1261-L1330 HydrophobicContact CD2-CD2 3.37Å; L1261-L1330 HydrophobicContact CG-CD2 3.76Å; L1330-L1332 PolarHBondContact O-N 3.29Å
1331C54.9Low48.4Very low26 Ų2661.3 Ų61.318%0.17634%0.335CS..  trans-87.797.1174.7-174.90000111.1L173 G1333 S1334 A1335L173-C1331 HydrophobicContact CD2-CB 3.82Å; C1331-G1333 PolarHBondContact O-N 3.02Å; C1331-G1333 VanDerWaalsContact O-N 3.15Å; C1331-S1334 WeakPolarHBondContact O-CB 3.47Å; C1331-S1334 PolarHBondContact O-N 3.5Å; C1331-A1335 PolarHBondContact O-N 3.26Å
1332L63.3Low50.6Low10 Ų1059.8 Ų59.85%0.05232%0.319CS..Hα-helixtrans-55.4-33.8-179-162.175.2000113.1I1225 V1257 L1261 F1273 F1299 L1303 L1330 S1334 A1335 I1336I1225-L1332 HydrophobicContact CG2-CD2 4.23Å; V1257-L1332 HydrophobicContact CG1-CD1 3.37Å; V1257-L1332 HydrophobicContact CG1-CG 4.08Å; L1261-L1332 HydrophobicContact CD1-CD1 4.16Å; F1273-L1332 HydrophobicContact CE2-CD2 4.24Å; F1273-L1332 HydrophobicContact CZ-CD2 3.92Å; F1299-L1332 HydrophobicContact CZ-CD2 4.49Å; L1303-L1332 HydrophobicContact CD1-CD2 3.8Å; L1303-L1332 HydrophobicContact CD2-CB 4.45Å; L1303-L1332 HydrophobicContact CD2-CD2 3.56Å; L1303-L1332 HydrophobicContact CG-CD2 4.33Å; L1330-L1332 PolarHBondContact O-N 3.29Å; L1332-S1334 VanDerWaalsContact C-N 3.3Å; L1332-S1334 PolarHBondContact O-N 3.3Å; L1332-A1335 PolarHBondContact O-N 3.46Å; L1332-I1336 HydrophobicContact CD2-CD1 4.32Å; L1332-I1336 HydrophobicContact CG-CD1 4.09Å; L1332-I1336 HydrophobicContact CG-CG1 4.46Å; L1332-I1336 WeakPolarHBondContact O-CB 3.48Å; L1332-I1336 VanDerWaalsContact O-CG1 3.23Å; L1332-I1336 WeakPolarHBondContact O-CG1 3.38Å; L1332-I1336 PolarHBondContact O-N 3.1Å
1333G59.8Low52.8Low4 Ų450.2 Ų50.24%0.04127%0.274CS..Hα-helixtrans-63.1-33.9177.200000113.6S1222 C1331 A1337S1222-G1333 PolarHBondContact OG-O 3.35Å; C1331-G1333 PolarHBondContact O-N 3.02Å; C1331-G1333 VanDerWaalsContact O-N 3.15Å; G1333-A1337 PolarHBondContact O-N 2.71Å
1334S59.6Low54.9Low44 Ų4448.6 Ų48.631%0.30825%0.252SS..Hα-helixtrans-74.6-44.5174-171.70000111.2C1331 L1332 I1336 A1337 Q1338C1331-S1334 WeakPolarHBondContact O-CB 3.47Å; C1331-S1334 PolarHBondContact O-N 3.5Å; L1332-S1334 VanDerWaalsContact C-N 3.3Å; L1332-S1334 PolarHBondContact O-N 3.3Å; S1334-I1336 VanDerWaalsContact C-N 3.3Å; S1334-I1336 PolarHBondContact O-N 2.98Å; S1334-A1337 WeakPolarHBondContact O-CB 3.38Å; S1334-A1337 PolarHBondContact O-N 3.16Å; S1334-Q1338 PolarHBondContact O-N 3.08Å
1335A64.2Low56.8Low4 Ų449.1 Ų49.13%0.03326%0.255CS..Hα-helixtrans-55.7-45.117500000111.3V1257 E1260 C1331 L1332 A1337 Q1338 A1339V1257-A1335 HydrophobicContact CG1-CB 4.35Å; E1260-A1335 VanDerWaalsContact OE2-CB 3.31Å; E1260-A1335 WeakPolarHBondContact OE2-CB 3.41Å; C1331-A1335 PolarHBondContact O-N 3.26Å; L1332-A1335 PolarHBondContact O-N 3.46Å; A1335-A1337 VanDerWaalsContact C-N 3.32Å; A1335-A1337 PolarHBondContact O-N 2.95Å; A1335-Q1338 PolarHBondContact O-N 3.04Å; A1335-A1339 WeakPolarHBondContact O-CB 3.46Å; A1335-A1339 PolarHBondContact O-N 3.32Å
1336I67.4Low58.4Low1 Ų148.2 Ų48.21%0.00527%0.266CS..Hα-helixtrans-60.7-40.7175.3-69.8166000111.9L1221 I1225 L1253 V1257 L1332 S1334 G1340L1221-I1336 HydrophobicContact CD2-CD1 4.44Å; L1221-I1336 HydrophobicContact CD2-CG2 4.01Å; L1221-I1336 HydrophobicContact CG-CD1 4.36Å; L1221-I1336 HydrophobicContact CG-CG2 4.29Å; I1225-I1336 HydrophobicContact CD1-CD1 3.36Å; L1253-I1336 HydrophobicContact CD2-CG2 4.35Å; V1257-I1336 HydrophobicContact CB-CG1 4.49Å; V1257-I1336 HydrophobicContact CG1-CG1 3.99Å; V1257-I1336 HydrophobicContact CG2-CB 4.31Å; V1257-I1336 HydrophobicContact CG2-CG1 3.71Å; L1332-I1336 HydrophobicContact CD2-CD1 4.32Å; L1332-I1336 HydrophobicContact CG-CD1 4.09Å; L1332-I1336 HydrophobicContact CG-CG1 4.46Å; L1332-I1336 WeakPolarHBondContact O-CB 3.48Å; L1332-I1336 VanDerWaalsContact O-CG1 3.23Å; L1332-I1336 WeakPolarHBondContact O-CG1 3.38Å; L1332-I1336 PolarHBondContact O-N 3.1Å; S1334-I1336 VanDerWaalsContact C-N 3.3Å; S1334-I1336 PolarHBondContact O-N 2.98Å; I1336-G1340 WeakPolarHBondContact O-CA 3.27Å; I1336-G1340 PolarHBondContact O-N 3.06Å
1337A65.9Low59.8Low12 Ų1247.7 Ų47.710%0.09927%0.268CS..Hα-helixtrans-69.2-46.2179.300000112.1I1218 G1333 S1334 A1335 G1340 E1341I1218-A1337 HydrophobicContact CG2-CB 4.45Å; G1333-A1337 PolarHBondContact O-N 2.71Å; S1334-A1337 WeakPolarHBondContact O-CB 3.38Å; S1334-A1337 PolarHBondContact O-N 3.16Å; A1335-A1337 VanDerWaalsContact C-N 3.32Å; A1335-A1337 PolarHBondContact O-N 2.95Å; A1337-G1340 PolarHBondContact O-N 3.39Å; A1337-E1341 WeakPolarHBondContact O-CB 3.45Å; A1337-E1341 PolarHBondContact O-N 3.11Å
1338Q65.8Low61.3Low104 Ų10446.2 Ų46.249%0.48626%0.263SS..Hα-helixtrans-66.6-51.9178.7-75.3177.6-25.400111.7S1334 A1335 G1340 E1341 Q1342S1334-Q1338 PolarHBondContact O-N 3.08Å; A1335-Q1338 PolarHBondContact O-N 3.04Å; Q1338-G1340 PolarHBondContact O-N 3.32Å; Q1338-E1341 PolarHBondContact O-N 3.02Å; Q1338-E1341 VanDerWaalsContact O-N 3.17Å; Q1338-Q1342 WeakPolarHBondContact O-CB 3.3Å; Q1338-Q1342 VanDerWaalsContact O-CG 3.29Å; Q1338-Q1342 WeakPolarHBondContact O-CG 3.48Å; Q1338-Q1342 PolarHBondContact O-N 3.07Å
1339A70Confident63Low0 Ų044 Ų440%025%0.248CC..Hα-helixtrans-58.9-38.1175.800000111.2L1253 R1256 V1257 A1335 L1343L1253-A1339 HydrophobicContact CD1-CB 4.21Å; R1256-A1339 HydrophobicContact CB-CB 4.05Å; V1257-A1339 HydrophobicContact CG2-CB 3.84Å; A1335-A1339 WeakPolarHBondContact O-CB 3.46Å; A1335-A1339 PolarHBondContact O-N 3.32Å; A1339-L1343 VanDerWaalsContact O-CB 3.23Å; A1339-L1343 WeakPolarHBondContact O-CB 3.33Å; A1339-L1343 WeakPolarHBondContact O-CD1 3.28Å; A1339-L1343 VanDerWaalsContact O-CG 3.27Å; A1339-L1343 WeakPolarHBondContact O-CG 3.3Å; A1339-L1343 PolarHBondContact O-N 3.43Å
1340G69.5Low64.3Low0 Ų043.8 Ų43.80%025%0.252CS..Hα-helixtrans-65.1-43.8174.900000113.4I1218 Y1249 I1336 A1337 Q1338 L1343 L1344I1218-G1340 VanDerWaalsContact CD1-CA 3.46Å; Y1249-G1340 PolarHBondContact OH-O 3.24Å; I1336-G1340 WeakPolarHBondContact O-CA 3.27Å; I1336-G1340 PolarHBondContact O-N 3.06Å; A1337-G1340 PolarHBondContact O-N 3.39Å; Q1338-G1340 PolarHBondContact O-N 3.32Å; G1340-L1343 WeakPolarHBondContact O-CB 3.35Å; G1340-L1343 PolarHBondContact O-N 3.09Å; G1340-L1344 WeakPolarHBondContact O-CG 3.27Å; G1340-L1344 PolarHBondContact O-N 2.67Å
1341E69.3Low65.5Low83 Ų8341.9 Ų41.939%0.38824%0.243SC..Hα-helixtrans-71.1-37.4178.6-164.9144.4-142.700111.7R1215 A1337 Q1338 L1343 L1344 N1345R1215-E1341 IonicContact CZ-OE1 3.5Å; R1215-E1341 IonicContact NH1-OE1 2.84Å; R1215-E1341 PolarHBondContact NH1-OE1 2.84Å; R1215-E1341 IonicContact NH2-OE1 3.32Å; R1215-E1341 PolarHBondContact NH2-OE1 3.32Å; A1337-E1341 WeakPolarHBondContact O-CB 3.45Å; A1337-E1341 PolarHBondContact O-N 3.11Å; Q1338-E1341 PolarHBondContact O-N 3.02Å; Q1338-E1341 VanDerWaalsContact O-N 3.17Å; E1341-L1343 VanDerWaalsContact C-N 3.31Å; E1341-L1343 PolarHBondContact O-N 3.33Å; E1341-L1344 PolarHBondContact O-N 3.34Å; E1341-N1345 WeakPolarHBondContact O-CB 3.43Å; E1341-N1345 PolarHBondContact O-N 3.17Å; E1341-N1345 PolarHBondContact O-ND2 2.78Å
1342Q71.1Confident66.2Low102 Ų10242.9 Ų42.948%0.47725%0.248SC..Hα-helixtrans-63.5-35.4170-70.2174.88.900112.6Q1338 A1346Q1338-Q1342 WeakPolarHBondContact O-CB 3.3Å; Q1338-Q1342 VanDerWaalsContact O-CG 3.29Å; Q1338-Q1342 WeakPolarHBondContact O-CG 3.48Å; Q1338-Q1342 PolarHBondContact O-N 3.07Å; Q1342-A1346 VanDerWaalsContact O-CB 3.25Å; Q1342-A1346 WeakPolarHBondContact O-CB 3.27Å; Q1342-A1346 PolarHBondContact O-N 3.49Å
1343L71.9Confident66.4Low5 Ų545.3 Ų45.33%0.02626%0.262CS..Hα-helixtrans-71.8-29.4174.3-89.6166.7000113.6Y1249 E1252 L1253 R1256 A1339 G1340 E1341 A1346Y1249-L1343 HydrophobicContact CE2-CB 3.7Å; Y1249-L1343 HydrophobicContact CE2-CD1 4.45Å; Y1249-L1343 HydrophobicContact CE2-CD2 4.47Å; Y1249-L1343 HydrophobicContact CE2-CG 4.44Å; Y1249-L1343 WeakPolarHBondContact OH-CB 3.32Å; E1252-L1343 HydrophobicContact CB-CD2 4.26Å; E1252-L1343 HydrophobicContact CG-CD2 3.75Å; E1252-L1343 VanDerWaalsContact OE1-CD2 3.25Å; E1252-L1343 WeakPolarHBondContact OE1-CD2 3.46Å; L1253-L1343 VanDerWaalsContact CA-CD1 3.44Å; L1253-L1343 HydrophobicContact CB-CD1 3.81Å; L1253-L1343 HydrophobicContact CD1-CD1 3.81Å; L1253-L1343 HydrophobicContact CG-CD1 4.45Å; R1256-L1343 VanDerWaalsContact CZ-CG 3.44Å; R1256-L1343 VanDerWaalsContact NE-CD2 3.32Å; A1339-L1343 VanDerWaalsContact O-CB 3.23Å; A1339-L1343 WeakPolarHBondContact O-CB 3.33Å; A1339-L1343 WeakPolarHBondContact O-CD1 3.28Å; A1339-L1343 VanDerWaalsContact O-CG 3.27Å; A1339-L1343 WeakPolarHBondContact O-CG 3.3Å; A1339-L1343 PolarHBondContact O-N 3.43Å; G1340-L1343 WeakPolarHBondContact O-CB 3.35Å; G1340-L1343 PolarHBondContact O-N 3.09Å; E1341-L1343 VanDerWaalsContact C-N 3.31Å; E1341-L1343 PolarHBondContact O-N 3.33Å; L1343-A1346 VanDerWaalsContact O-OXT 3.13Å
1344L69.1Low66.9Low24 Ų2448.5 Ų48.513%0.12628%0.279CS..Hα-helixtrans-75.8-34.7173.7-76.1172.4000111.8N1211 R1214 R1215 I1218 G1340 E1341N1211-L1344 HydrophobicContact CB-CD2 4.05Å; R1214-L1344 HydrophobicContact CB-CD2 3.68Å; R1215-L1344 HydrophobicContact CB-CD1 4.1Å; I1218-L1344 HydrophobicContact CD1-CD1 3.7Å; I1218-L1344 HydrophobicContact CD1-CG 4.14Å; G1340-L1344 WeakPolarHBondContact O-CG 3.27Å; G1340-L1344 PolarHBondContact O-N 2.67Å; E1341-L1344 PolarHBondContact O-N 3.34Å
1345N67Low67.5Low136 Ų13648.8 Ų48.873%0.72728%0.276SS*.Hα-helixtrans-79.7-28.2-179.8-70.5-18.9000113.3E1341E1341-N1345 WeakPolarHBondContact O-CB 3.43Å; E1341-N1345 PolarHBondContact O-N 3.17Å; E1341-N1345 PolarHBondContact O-ND2 2.78Å
1346A59.2Low67.8Low115 Ų11552.9 Ų52.995%0.9530%0.299SS*.  trans-81.50173.200000110.7Q1342 L1343Q1342-A1346 VanDerWaalsContact O-CB 3.25Å; Q1342-A1346 WeakPolarHBondContact O-CB 3.27Å; Q1342-A1346 PolarHBondContact O-N 3.49Å; L1343-A1346 VanDerWaalsContact O-OXT 3.13Å

Retrieved 1,346 of 1,346 residues in 566.3 ms (Link to these results)

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