A0A3Q0KVD0_SCHMA Loading...

Transmembrane protein

AlphaFold DB , UniProt , Accession A0A3Q0KVD0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 493 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
1M39.2Very low61.2Low185 Ų18585.6 Ų85.691%0.91146%0.458SS*.  0-58.10-77.7177.386.500112.2S3M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 3.18Å
2S53.9Low62.2Low77 Ų7781.9 Ų81.954%0.53844%0.438SS..Hα-helixtrans-72.4-22.5177.257.70000114.6K6S2-K6 VanDerWaalsContact O-CB 3.23Å; S2-K6 WeakPolarHBondContact O-CB 3.43Å; S2-K6 WeakPolarHBondContact O-CD 3.45Å; S2-K6 WeakPolarHBondContact O-CG 3.48Å; S2-K6 PolarHBondContact O-N 3.35Å
3S64Low63.3Low86 Ų8676.4 Ų76.460%0.60141%0.408SS*.Hα-helixtrans-67.6-44.1-177.151.80000113.6M1 A7M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 3.18Å; S3-A7 VanDerWaalsContact O-CB 3.29Å; S3-A7 WeakPolarHBondContact O-CB 3.29Å; S3-A7 PolarHBondContact O-N 3.16Å
4F64.4Low64.2Low110 Ų11071.6 Ų71.648%0.48239%0.386SS..Hα-helixtrans-72.7-41.9-178.4-176.1-106.8000112A7 L8F4-A7 WeakPolarHBondContact O-CB 3.45Å; F4-A7 PolarHBondContact O-N 3.01Å; F4-L8 HydrophobicContact CD1-CD1 3.85Å; F4-L8 HydrophobicContact CD1-CG 4.35Å; F4-L8 HydrophobicContact CE1-CD1 3.3Å; F4-L8 HydrophobicContact CE1-CG 3.96Å; F4-L8 HydrophobicContact CE2-CG 4.43Å; F4-L8 HydrophobicContact CZ-CD1 3.74Å; F4-L8 HydrophobicContact CZ-CD2 4.2Å; F4-L8 HydrophobicContact CZ-CG 3.99Å; F4-L8 PolarHBondContact O-N 3.44Å
5Q60.9Low65.1Low74 Ų7468.6 Ų68.635%0.34637%0.371SS..Hα-helixtrans-62.5-46.4174.4-177.1180-26.100111.2A7 L8 E9Q5-A7 VanDerWaalsContact C-N 3.26Å; Q5-A7 PolarHBondContact O-N 3.48Å; Q5-L8 PolarHBondContact O-N 2.91Å; Q5-E9 HydrophobicContact CG-CG 4.37Å; Q5-E9 WeakPolarHBondContact CG-OE1 3.5Å; Q5-E9 PolarHBondContact NE2-OE1 3.13Å; Q5-E9 WeakPolarHBondContact O-CB 3.39Å; Q5-E9 VanDerWaalsContact O-CG 3.31Å; Q5-E9 WeakPolarHBondContact O-CG 3.41Å; Q5-E9 PolarHBondContact O-N 2.89Å
6K65.5Low66.3Low122 Ų12267.7 Ų67.753%0.5337%0.365SS..Hα-helixtrans-61.1-35.8174-74.6176.2-179.4-172.40112.3S2 N10S2-K6 VanDerWaalsContact O-CB 3.23Å; S2-K6 WeakPolarHBondContact O-CB 3.43Å; S2-K6 WeakPolarHBondContact O-CD 3.45Å; S2-K6 WeakPolarHBondContact O-CG 3.48Å; S2-K6 PolarHBondContact O-N 3.35Å; K6-N10 VanDerWaalsContact O-CB 3.25Å; K6-N10 WeakPolarHBondContact O-CB 3.44Å; K6-N10 PolarHBondContact O-N 3.35Å; K6-N10 PolarHBondContact O-ND2 2.79Å; K6-N10 VanDerWaalsContact O-ND2 3.11Å
7A63.6Low67.5Low46 Ų4665.3 Ų65.338%0.3835%0.354SS..Hα-helixtrans-64.1-49.5174.600000110.7S3 F4 Q5 E9 N10 L11S3-A7 VanDerWaalsContact O-CB 3.29Å; S3-A7 WeakPolarHBondContact O-CB 3.29Å; S3-A7 PolarHBondContact O-N 3.16Å; F4-A7 WeakPolarHBondContact O-CB 3.45Å; F4-A7 PolarHBondContact O-N 3.01Å; Q5-A7 VanDerWaalsContact C-N 3.26Å; Q5-A7 PolarHBondContact O-N 3.48Å; A7-E9 VanDerWaalsContact C-N 3.34Å; A7-E9 PolarHBondContact O-N 2.91Å; A7-N10 CarbonylContact O-C 3.58Å; A7-N10 PolarHBondContact O-N 2.86Å; A7-L11 WeakPolarHBondContact O-CG 3.37Å; A7-L11 PolarHBondContact O-N 2.85Å
8L64.4Low68.5Low43 Ų4365.3 Ų65.323%0.22535%0.353CS..Hα-helixtrans-60.7-39.1175.4-72.7177.6000113.2F4 Q5 N10 L11F4-L8 HydrophobicContact CD1-CD1 3.85Å; F4-L8 HydrophobicContact CD1-CG 4.35Å; F4-L8 HydrophobicContact CE1-CD1 3.3Å; F4-L8 HydrophobicContact CE1-CG 3.96Å; F4-L8 HydrophobicContact CE2-CG 4.43Å; F4-L8 HydrophobicContact CZ-CD1 3.74Å; F4-L8 HydrophobicContact CZ-CD2 4.2Å; F4-L8 HydrophobicContact CZ-CG 3.99Å; F4-L8 PolarHBondContact O-N 3.44Å; Q5-L8 PolarHBondContact O-N 2.91Å; L8-N10 VanDerWaalsContact C-N 3.3Å; L8-N10 PolarHBondContact O-N 3.42Å; L8-L11 HydrophobicContact CD2-CD1 3.87Å; L8-L11 PolarHBondContact O-N 3.48Å
9E63.6Low69.6Low60 Ų6062.5 Ų62.528%0.2834%0.339SS..Hα-helixtrans-67.2-31.8177.5-74.8171.1-179.700112.6Q5 A7 N356Q5-E9 HydrophobicContact CG-CG 4.37Å; Q5-E9 WeakPolarHBondContact CG-OE1 3.5Å; Q5-E9 PolarHBondContact NE2-OE1 3.13Å; Q5-E9 WeakPolarHBondContact O-CB 3.39Å; Q5-E9 VanDerWaalsContact O-CG 3.31Å; Q5-E9 WeakPolarHBondContact O-CG 3.41Å; Q5-E9 PolarHBondContact O-N 2.89Å; A7-E9 VanDerWaalsContact C-N 3.34Å; A7-E9 PolarHBondContact O-N 2.91Å; E9-N356 PolarHBondContact O-ND2 3.11Å
10N65.9Low70.7Confident85 Ų8563.5 Ų63.546%0.45535%0.347SS..Hα-helixtrans-92.2-4.2179.9-67.6-22000113.8K6 A7 L8 N12 G344K6-N10 VanDerWaalsContact O-CB 3.25Å; K6-N10 WeakPolarHBondContact O-CB 3.44Å; K6-N10 PolarHBondContact O-N 3.35Å; K6-N10 PolarHBondContact O-ND2 2.79Å; K6-N10 VanDerWaalsContact O-ND2 3.11Å; A7-N10 CarbonylContact O-C 3.58Å; A7-N10 PolarHBondContact O-N 2.86Å; L8-N10 VanDerWaalsContact C-N 3.3Å; L8-N10 PolarHBondContact O-N 3.42Å; N10-N12 PolarHBondContact O-N 3.34Å; N10-G344 PolarHBondContact O-N 2.95Å
11L67.6Low71.7Confident54 Ų5461 Ų6128%0.28333%0.334SS..BIsolated β-bridgetrans-75.6123.6178-82.2161.3000109.2A7 L8 E13 I16A7-L11 WeakPolarHBondContact O-CG 3.37Å; A7-L11 PolarHBondContact O-N 2.85Å; L8-L11 HydrophobicContact CD2-CD1 3.87Å; L8-L11 PolarHBondContact O-N 3.48Å; L11-E13 VanDerWaalsContact C-N 3.3Å; L11-E13 WeakPolarHBondContact O-CG 3.48Å; L11-E13 PolarHBondContact O-N 3.1Å; L11-I16 HydrophobicContact CB-CD1 4.03Å; L11-I16 HydrophobicContact CD2-CD1 3.45Å; L11-I16 VanDerWaalsContact CD2-CD1 3.45Å; L11-I16 HydrophobicContact CG-CD1 4.23Å
12N73.2Confident74.3Confident41 Ų4153.7 Ų53.722%0.21930%0.3CS..  trans-76.687.3171.3-172.1-14.3000109.6N10 G14 T15 I16N10-N12 PolarHBondContact O-N 3.34Å; N12-G14 PolarHBondContact O-N 3.02Å; N12-T15 VanDerWaalsContact CG-OG1 3.23Å; N12-T15 PolarHBondContact ND2-OG1 3.32Å; N12-T15 PolarHBondContact O-N 3.2Å; N12-T15 VanDerWaalsContact O-N 3.1Å; N12-T15 PolarHBondContact OD1-N 2.98Å; N12-T15 PolarHBondContact OD1-OG1 3.28Å; N12-I16 WeakPolarHBondContact O-CG1 3.22Å; N12-I16 PolarHBondContact O-N 3.42Å
13E76.3Confident76.2Confident10 Ų1051.1 Ų51.15%0.04728%0.282CS..Hα-helixtrans-55.8-39.9-173.3-41.3-176.2156.400112.5L11 I16 C17 W350 N356 V357 L358L11-E13 VanDerWaalsContact C-N 3.3Å; L11-E13 WeakPolarHBondContact O-CG 3.48Å; L11-E13 PolarHBondContact O-N 3.1Å; E13-I16 PolarHBondContact O-N 2.69Å; E13-C17 WeakPolarHBondContact O-CB 3.29Å; E13-C17 PolarHBondContact O-N 3.17Å; E13-W350 HydrophobicContact CB-CE3 3.48Å; E13-W350 VanDerWaalsContact CB-CE3 3.48Å; E13-W350 HydrophobicContact CB-CH2 4.17Å; E13-W350 HydrophobicContact CB-CZ3 3.26Å; E13-W350 HydrophobicContact CG-CE3 4.45Å; E13-W350 HydrophobicContact CG-CZ3 4.42Å; E13-W350 WeakPolarHBondContact O-CH2 3.34Å; E13-W350 VanDerWaalsContact OE2-CE3 3.3Å; E13-N356 WeakPolarHBondContact OE1-CA 3.39Å; E13-N356 VanDerWaalsContact OE1-CB 3.23Å; E13-N356 WeakPolarHBondContact OE1-CB 3.23Å; E13-V357 VanDerWaalsContact CD-N 3.33Å; E13-V357 PolarHBondContact OE1-N 3.1Å; E13-V357 VanDerWaalsContact OE2-CA 3.32Å; E13-V357 WeakPolarHBondContact OE2-CA 3.35Å; E13-V357 WeakPolarHBondContact OE2-CB 3.19Å; E13-V357 PolarHBondContact OE2-N 3.19Å; E13-L358 HydrophobicContact CB-CD1 4.16Å; E13-L358 HydrophobicContact CB-CG 4.47Å; E13-L358 VanDerWaalsContact CD-N 3.3Å; E13-L358 HydrophobicContact CG-CD1 3.75Å; E13-L358 HydrophobicContact CG-CG 4.11Å; E13-L358 WeakPolarHBondContact OE1-CB 3.31Å; E13-L358 PolarHBondContact OE1-N 2.93Å; E13-L358 PolarHBondContact OE2-N 3.41Å; E13-L358 VanDerWaalsContact OE2-N 3.15Å
14G76.2Confident77.7Confident10 Ų1050 Ų5010%0.10327%0.271CS..Hα-helixtrans-63.7-45.6177.700000112.2N12 I16 C17 I18N12-G14 PolarHBondContact O-N 3.02Å; G14-I16 VanDerWaalsContact C-N 3.33Å; G14-I16 PolarHBondContact O-N 3.09Å; G14-C17 PolarHBondContact O-N 3.16Å; G14-I18 WeakPolarHBondContact O-CB 3.32Å; G14-I18 WeakPolarHBondContact O-CD1 3.29Å; G14-I18 WeakPolarHBondContact O-CG1 3.44Å; G14-I18 PolarHBondContact O-N 3.08Å
15T77.9Confident79.1Confident26 Ų2647.5 Ų47.516%0.1626%0.259CS..Hα-helixtrans-62.7-40.5176.5-64.80000111.9N12 S19 Y338N12-T15 VanDerWaalsContact CG-OG1 3.23Å; N12-T15 PolarHBondContact ND2-OG1 3.32Å; N12-T15 PolarHBondContact O-N 3.2Å; N12-T15 VanDerWaalsContact O-N 3.1Å; N12-T15 PolarHBondContact OD1-N 2.98Å; N12-T15 PolarHBondContact OD1-OG1 3.28Å; T15-S19 WeakPolarHBondContact O-CB 3.44Å; T15-S19 PolarHBondContact O-N 3.3Å; T15-Y338 HydrophobicContact CG2-CD1 3.94Å; T15-Y338 HydrophobicContact CG2-CE1 3.59Å
16I84.3Confident80.8Confident54 Ų5445.3 Ų45.328%0.27725%0.249SC..Hα-helixtrans-66-46.8178.2-64.4164000110.4L11 N12 E13 G14 I18 S19 V20L11-I16 HydrophobicContact CB-CD1 4.03Å; L11-I16 HydrophobicContact CD2-CD1 3.45Å; L11-I16 VanDerWaalsContact CD2-CD1 3.45Å; L11-I16 HydrophobicContact CG-CD1 4.23Å; N12-I16 WeakPolarHBondContact O-CG1 3.22Å; N12-I16 PolarHBondContact O-N 3.42Å; E13-I16 PolarHBondContact O-N 2.69Å; G14-I16 VanDerWaalsContact C-N 3.33Å; G14-I16 PolarHBondContact O-N 3.09Å; I16-I18 PolarHBondContact O-N 3.1Å; I16-S19 PolarHBondContact O-N 2.94Å; I16-V20 HydrophobicContact CG2-CG2 4.35Å; I16-V20 WeakPolarHBondContact O-CG2 3.33Å; I16-V20 PolarHBondContact O-N 3.06Å
17C86.3Confident82.1Confident27 Ų2743.2 Ų43.218%0.18224%0.243CC..Hα-helixtrans-57.9-49.3177.7178.30000111.4E13 G14 S19 V20 C21 W350E13-C17 WeakPolarHBondContact O-CB 3.29Å; E13-C17 PolarHBondContact O-N 3.17Å; G14-C17 PolarHBondContact O-N 3.16Å; C17-S19 VanDerWaalsContact C-N 3.35Å; C17-S19 PolarHBondContact O-N 3.3Å; C17-V20 PolarHBondContact O-N 3.41Å; C17-C21 WeakPolarHBondContact O-CB 3.47Å; C17-C21 PolarHBondContact O-N 2.9Å; C17-C21 PolarHBondContact O-SG 2.97Å; C17-C21 VanDerWaalsContact O-SG 3.37Å; C17-W350 HydrophobicContact CB-CH2 3.51Å; C17-W350 HydrophobicContact CB-CZ2 3.5Å; C17-W350 VanDerWaalsContact CB-CZ2 3.5Å
18I86.5Confident83.6Confident65 Ų6542.8 Ų42.833%0.33324%0.235SC..Hα-helixtrans-60.4-46.3176.6-66165.8000110.2G14 I16 V20 C21 V22 W51G14-I18 WeakPolarHBondContact O-CB 3.32Å; G14-I18 WeakPolarHBondContact O-CD1 3.29Å; G14-I18 WeakPolarHBondContact O-CG1 3.44Å; G14-I18 PolarHBondContact O-N 3.08Å; I16-I18 PolarHBondContact O-N 3.1Å; I18-V20 PolarHBondContact O-N 3.32Å; I18-C21 PolarHBondContact O-N 3.15Å; I18-V22 HydrophobicContact CG2-CG2 4.09Å; I18-V22 WeakPolarHBondContact O-CB 3.13Å; I18-V22 VanDerWaalsContact O-CG2 3.25Å; I18-V22 WeakPolarHBondContact O-CG2 3.4Å; I18-V22 PolarHBondContact O-N 3Å; I18-W51 HydrophobicContact CD1-CE3 4.24Å; I18-W51 HydrophobicContact CD1-CZ3 4.2Å; I18-W51 HydrophobicContact CG1-CD2 4.12Å; I18-W51 HydrophobicContact CG1-CE3 3.82Å; I18-W51 HydrophobicContact CG1-CZ3 4.21Å
19S88.5Confident85Confident12 Ų1242.1 Ų42.18%0.08423%0.231CC..Hα-helixtrans-59.7-43.6179.9-176.50000112T15 I16 C17 S23T15-S19 WeakPolarHBondContact O-CB 3.44Å; T15-S19 PolarHBondContact O-N 3.3Å; I16-S19 PolarHBondContact O-N 2.94Å; C17-S19 VanDerWaalsContact C-N 3.35Å; C17-S19 PolarHBondContact O-N 3.3Å; S19-S23 WeakPolarHBondContact O-CB 3.38Å; S19-S23 PolarHBondContact O-N 3.12Å; S19-S23 PolarHBondContact O-OG 3.45Å
20V91.2Very high86.4Confident82 Ų8239.3 Ų39.350%0.49722%0.218SC..Hα-helixtrans-66-48.1177.4173.30000110.5I16 C17 I18 V22 S23 V24I16-V20 HydrophobicContact CG2-CG2 4.35Å; I16-V20 WeakPolarHBondContact O-CG2 3.33Å; I16-V20 PolarHBondContact O-N 3.06Å; C17-V20 PolarHBondContact O-N 3.41Å; I18-V20 PolarHBondContact O-N 3.32Å; V20-V22 PolarHBondContact O-N 3.3Å; V20-S23 PolarHBondContact O-N 3.33Å; V20-V24 HydrophobicContact CG1-CG2 4.4Å; V20-V24 WeakPolarHBondContact O-CG2 3.34Å; V20-V24 PolarHBondContact O-N 2.86Å
21C93Very high87.7Confident13 Ų1336 Ų369%0.08820%0.202CC..Hα-helixtrans-59.4-45.5178.5-74.40000112.5C17 I18 W25 P47 W51C17-C21 WeakPolarHBondContact O-CB 3.47Å; C17-C21 PolarHBondContact O-N 2.9Å; C17-C21 PolarHBondContact O-SG 2.97Å; C17-C21 VanDerWaalsContact O-SG 3.37Å; I18-C21 PolarHBondContact O-N 3.15Å; C21-W25 WeakPolarHBondContact O-CB 3.34Å; C21-W25 PolarHBondContact O-N 3.49Å; C21-P47 WeakPolarHBondContact CB-O 3.35Å; C21-P47 WeakPolarHBondContact O-CB 3.29Å; C21-W51 HydrophobicContact CB-CB 4.3Å; C21-W51 HydrophobicContact CB-CG 4.23Å
22V92.7Very high88.8Confident30 Ų3036 Ų3618%0.18220%0.198CC..Hα-helixtrans-66.5-39.8177.1172.80000111I18 V20 W25 L26 L48I18-V22 HydrophobicContact CG2-CG2 4.09Å; I18-V22 WeakPolarHBondContact O-CB 3.13Å; I18-V22 VanDerWaalsContact O-CG2 3.25Å; I18-V22 WeakPolarHBondContact O-CG2 3.4Å; I18-V22 PolarHBondContact O-N 3Å; V20-V22 PolarHBondContact O-N 3.3Å; V22-W25 PolarHBondContact O-N 2.94Å; V22-L26 HydrophobicContact CG1-CD1 4.03Å; V22-L26 HydrophobicContact CG1-CG 4.31Å; V22-L26 WeakPolarHBondContact O-CB 3.48Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 2.86Å; V22-L48 HydrophobicContact CG2-CD2 4.1Å
23S93.9Very high89.5Confident23 Ų2338.9 Ų38.916%0.16121%0.211CC..Hα-helixtrans-64.1-44.1177.7-62.90000112.2S19 V20 L26 L27S19-S23 WeakPolarHBondContact O-CB 3.38Å; S19-S23 PolarHBondContact O-N 3.12Å; S19-S23 PolarHBondContact O-OG 3.45Å; V20-S23 PolarHBondContact O-N 3.33Å; S23-L26 PolarHBondContact O-N 3.19Å; S23-L27 WeakPolarHBondContact O-CG 3.36Å; S23-L27 PolarHBondContact O-N 3.35Å
24V94.9Very high90.1Very high63 Ų6340 Ų4038%0.38222%0.218SC..Hα-helixtrans-63.6-45.3175.8175.10000110.3V20 L26 L27 L28 P47V20-V24 HydrophobicContact CG1-CG2 4.4Å; V20-V24 WeakPolarHBondContact O-CG2 3.34Å; V20-V24 PolarHBondContact O-N 2.86Å; V24-L26 PolarHBondContact O-N 3.29Å; V24-L27 PolarHBondContact O-N 2.88Å; V24-L28 HydrophobicContact CG1-CD1 3.97Å; V24-L28 HydrophobicContact CG1-CG 4.34Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.25Å; V24-L28 PolarHBondContact O-N 3.31Å; V24-P47 HydrophobicContact CB-CB 4.36Å; V24-P47 HydrophobicContact CB-CG 4.38Å; V24-P47 HydrophobicContact CG1-CB 4.28Å; V24-P47 HydrophobicContact CG1-CG 3.78Å
25W95.3Very high90.7Very high58 Ų5846 Ų4622%0.2225%0.247CC..Hα-helixtrans-58.6-45.9175.1173.782.6000112.4C21 V22 L27 L28 I29 F45 P47 L48C21-W25 WeakPolarHBondContact O-CB 3.34Å; C21-W25 PolarHBondContact O-N 3.49Å; V22-W25 PolarHBondContact O-N 2.94Å; W25-L27 VanDerWaalsContact C-N 3.33Å; W25-L27 PolarHBondContact O-N 3.35Å; W25-L28 PolarHBondContact O-N 3.02Å; W25-I29 WeakPolarHBondContact O-CG2 3.45Å; W25-I29 PolarHBondContact O-N 3.48Å; W25-F45 AromaticContact NE1-CD1 3.93Å; W25-P47 HydrophobicContact CB-CB 4.37Å; W25-L48 HydrophobicContact CB-CD2 4.05Å; W25-L48 HydrophobicContact CB-CG 3.87Å; W25-L48 VanDerWaalsContact CD1-CD1 3.44Å; W25-L48 HydrophobicContact CD2-CD1 3.58Å; W25-L48 HydrophobicContact CD2-CD2 4.18Å; W25-L48 HydrophobicContact CD2-CG 3.92Å; W25-L48 VanDerWaalsContact CE2-CD1 3.44Å; W25-L48 HydrophobicContact CE3-CD1 4.3Å; W25-L48 HydrophobicContact CE3-CD2 4.44Å; W25-L48 HydrophobicContact CG-CD1 3.62Å; W25-L48 HydrophobicContact CG-CD2 3.98Å; W25-L48 HydrophobicContact CG-CG 3.49Å; W25-L48 VanDerWaalsContact CG-CG 3.49Å; W25-L48 HydrophobicContact CZ2-CD1 4.07Å; W25-L48 VanDerWaalsContact NE1-CD1 3.34Å
26L94.8Very high91.2Very high27 Ų2749.7 Ų49.714%0.14127%0.27CS..Hα-helixtrans-59.6-41.5177-79.6173.5000112.2V22 S23 V24 I29 A30 V331 L332V22-L26 HydrophobicContact CG1-CD1 4.03Å; V22-L26 HydrophobicContact CG1-CG 4.31Å; V22-L26 WeakPolarHBondContact O-CB 3.48Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 2.86Å; S23-L26 PolarHBondContact O-N 3.19Å; V24-L26 PolarHBondContact O-N 3.29Å; L26-I29 VanDerWaalsContact O-CG2 3.32Å; L26-I29 WeakPolarHBondContact O-CG2 3.44Å; L26-A30 WeakPolarHBondContact O-CB 3.3Å; L26-A30 PolarHBondContact O-N 3.18Å; L26-V331 HydrophobicContact CD1-CG1 3.71Å; L26-L332 HydrophobicContact CB-CD2 4.39Å; L26-L332 HydrophobicContact CD1-CD2 4.43Å
27L94.6Very high91.5Very high78 Ų7850.1 Ų50.141%0.40827%0.272SS..Hα-helixtrans-66.9-42176.2-74.3169.8000111.9S23 V24 W25 A30 A31 L325 L332S23-L27 WeakPolarHBondContact O-CG 3.36Å; S23-L27 PolarHBondContact O-N 3.35Å; V24-L27 PolarHBondContact O-N 2.88Å; W25-L27 VanDerWaalsContact C-N 3.33Å; W25-L27 PolarHBondContact O-N 3.35Å; L27-A30 PolarHBondContact O-N 3.06Å; L27-A31 VanDerWaalsContact O-CB 3.27Å; L27-A31 WeakPolarHBondContact O-CB 3.3Å; L27-A31 PolarHBondContact O-N 3.31Å; L27-L325 HydrophobicContact CD2-CD2 4.13Å; L27-L332 HydrophobicContact CD2-CD1 3.55Å; L27-L332 HydrophobicContact CG-CD1 3.96Å; L27-L332 HydrophobicContact CG-CD2 4.44Å
28L95Very high91.7Very high38 Ų3856 Ų5620%0.19930%0.301CS..Hα-helixtrans-66.7-45.5179.3-70.3174.4000112V24 W25 A30 A31 R32 L37 I39 I44 P47V24-L28 HydrophobicContact CG1-CD1 3.97Å; V24-L28 HydrophobicContact CG1-CG 4.34Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.25Å; V24-L28 PolarHBondContact O-N 3.31Å; W25-L28 PolarHBondContact O-N 3.02Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A31 PolarHBondContact O-N 2.99Å; L28-R32 VanDerWaalsContact O-CB 3.32Å; L28-R32 WeakPolarHBondContact O-CB 3.44Å; L28-R32 PolarHBondContact O-N 3.45Å; L28-L37 HydrophobicContact CD2-CD2 3.9Å; L28-I39 HydrophobicContact CD2-CD1 4.1Å; L28-I44 HydrophobicContact CB-CG1 4.48Å; L28-I44 HydrophobicContact CB-CG2 4.08Å; L28-P47 HydrophobicContact CD1-CG 3.96Å
29I93.3Very high92Very high29 Ų2954.7 Ų54.715%0.14929%0.294CS..Hα-helixtrans-66.1-38.9177.5-163.678.4000110.6W25 L26 R32 M33 I44W25-I29 WeakPolarHBondContact O-CG2 3.45Å; W25-I29 PolarHBondContact O-N 3.48Å; L26-I29 VanDerWaalsContact O-CG2 3.32Å; L26-I29 WeakPolarHBondContact O-CG2 3.44Å; I29-R32 PolarHBondContact O-N 3.05Å; I29-M33 WeakPolarHBondContact O-CG 3.47Å; I29-M33 PolarHBondContact O-N 3.2Å; I29-I44 HydrophobicContact CB-CG2 4.08Å; I29-I44 HydrophobicContact CD1-CG2 3.89Å
30A92.4Very high92.2Very high0 Ų057.8 Ų57.80%031%0.313CS..Hα-helixtrans-64.9-4817600000112.3L26 L27 L28 R32 M33 D34 A324 L325L26-A30 WeakPolarHBondContact O-CB 3.3Å; L26-A30 PolarHBondContact O-N 3.18Å; L27-A30 PolarHBondContact O-N 3.06Å; L28-A30 VanDerWaalsContact C-N 3.34Å; A30-R32 PolarHBondContact O-N 3.46Å; A30-M33 PolarHBondContact O-N 3.1Å; A30-D34 PolarHBondContact O-N 2.85Å; A30-A324 HydrophobicContact CB-CB 3.73Å; A30-A324 WeakPolarHBondContact O-CB 3.12Å; A30-L325 HydrophobicContact CB-CD2 3.79Å; A30-L325 HydrophobicContact CB-CG 4.22Å
31A92.7Very high92.3Very high15 Ų1556.5 Ų56.512%0.12430%0.3CS..Hα-helixtrans-60.9-35.1176.100000112.1L27 L28 N35 V36 L37L27-A31 VanDerWaalsContact O-CB 3.27Å; L27-A31 WeakPolarHBondContact O-CB 3.3Å; L27-A31 PolarHBondContact O-N 3.31Å; L28-A31 PolarHBondContact O-N 2.99Å; A31-N35 PolarHBondContact O-N 2.96Å; A31-V36 HydrophobicContact CB-CB 4.49Å; A31-V36 WeakPolarHBondContact O-CB 3.41Å; A31-V36 PolarHBondContact O-N 2.76Å; A31-L37 HydrophobicContact CB-CB 4.17Å; A31-L37 PolarHBondContact O-N 2.81Å
32R92.1Very high92.4Very high56 Ų5661.8 Ų61.821%0.21132%0.318CS..Hα-helixtrans-68-45.5173.4-179.865174-179.4-1.4112L28 I29 A30 D34 N35 L37 I39 Y41 I44L28-R32 VanDerWaalsContact O-CB 3.32Å; L28-R32 WeakPolarHBondContact O-CB 3.44Å; L28-R32 PolarHBondContact O-N 3.45Å; I29-R32 PolarHBondContact O-N 3.05Å; A30-R32 PolarHBondContact O-N 3.46Å; R32-D34 PolarHBondContact O-N 2.96Å; R32-N35 PolarHBondContact O-N 3.43Å; R32-L37 WeakPolarHBondContact CD-O 3.41Å; R32-L37 PolarHBondContact NH1-O 3.31Å; R32-I39 PolarHBondContact NH1-O 3.4Å; R32-Y41 HydrophobicContact CG-CE1 4.22Å; R32-I44 HydrophobicContact CB-CD1 3.61Å; R32-I44 HydrophobicContact CG-CD1 3.53Å
33M87.3Confident92.4Very high100 Ų10063.6 Ų63.649%0.49333%0.329SS..Hα-helixtrans-61.2-31.9178.2-76.6-160.6-67.200112.7I29 A30 N35 A324I29-M33 WeakPolarHBondContact O-CG 3.47Å; I29-M33 PolarHBondContact O-N 3.2Å; A30-M33 PolarHBondContact O-N 3.1Å; M33-N35 VanDerWaalsContact C-N 3.26Å; M33-N35 PolarHBondContact O-N 2.94Å; M33-A324 HydrophobicContact CB-CB 4.04Å; M33-A324 HydrophobicContact CE-CB 3.61Å
34D89.5Confident92.5Very high35 Ų3562.5 Ų62.519%0.18732%0.322CS..THydrogen-bonded Turntrans-86.99176-63.5-25.4000113.1A30 R32 V36 R312 S323 A324 L325A30-D34 PolarHBondContact O-N 2.85Å; R32-D34 PolarHBondContact O-N 2.96Å; D34-V36 HydrophobicContact CB-CG2 3.95Å; D34-V36 PolarHBondContact O-N 3.39Å; D34-V36 VanDerWaalsContact O-N 3.07Å; D34-R312 IonicContact OD1-CZ 3.69Å; D34-R312 IonicContact OD1-NH1 3.59Å; D34-R312 IonicContact OD1-NH2 2.88Å; D34-R312 PolarHBondContact OD1-NH2 2.75Å; D34-S323 VanDerWaalsContact OD2-CB 3.27Å; D34-S323 WeakPolarHBondContact OD2-CB 3.28Å; D34-A324 WeakPolarHBondContact OD1-CB 3.28Å; D34-A324 PolarHBondContact OD1-N 2.72Å; D34-A324 WeakPolarHBondContact OD2-CA 3.31Å; D34-A324 WeakPolarHBondContact OD2-CB 3.14Å; D34-A324 PolarHBondContact OD2-N 3.13Å; D34-L325 PolarHBondContact OD2-N 3.28Å
35N87.4Confident92.5Very high134 Ų13459.7 Ų59.772%0.71730%0.304SS*.THydrogen-bonded Turntrans55.120.6-176.6-61.7-57.1000114.8A31 R32 M33A31-N35 PolarHBondContact O-N 2.96Å; R32-N35 PolarHBondContact O-N 3.43Å; M33-N35 VanDerWaalsContact C-N 3.26Å; M33-N35 PolarHBondContact O-N 2.94Å
36V89.6Confident92.5Very high104 Ų10461.3 Ų61.363%0.6332%0.317SS*.SBendtrans-73.2-35.2177.1179.50000110.4A31 D34A31-V36 HydrophobicContact CB-CB 4.49Å; A31-V36 WeakPolarHBondContact O-CB 3.41Å; A31-V36 PolarHBondContact O-N 2.76Å; D34-V36 HydrophobicContact CB-CG2 3.95Å; D34-V36 PolarHBondContact O-N 3.39Å; D34-V36 VanDerWaalsContact O-N 3.07Å
37L90.4Very high92.5Very high63 Ų6360.8 Ų60.833%0.3332%0.315SS..  trans-122.5117.9-174.5-162.470.2000112L28 A31 R32 I39L28-L37 HydrophobicContact CD2-CD2 3.9Å; A31-L37 HydrophobicContact CB-CB 4.17Å; A31-L37 PolarHBondContact O-N 2.81Å; R32-L37 WeakPolarHBondContact CD-O 3.41Å; R32-L37 PolarHBondContact NH1-O 3.31Å; L37-I39 HydrophobicContact CD1-CG2 4.38Å; L37-I39 HydrophobicContact CD2-CB 4.5Å; L37-I39 HydrophobicContact CD2-CD1 3.42Å; L37-I39 VanDerWaalsContact CD2-CD1 3.42Å; L37-I39 HydrophobicContact CD2-CG1 3.68Å; L37-I39 HydrophobicContact CD2-CG2 4.08Å; L37-I39 HydrophobicContact CG-CB 4.44Å; L37-I39 HydrophobicContact CG-CD1 4.21Å; L37-I39 HydrophobicContact CG-CG1 3.9Å; L37-I39 HydrophobicContact CG-CG2 3.87Å; L37-I39 PolarHBondContact O-N 3.12Å
38I90.5Very high92.4Very high152 Ų15257.7 Ų57.778%0.77930%0.299SS*.  trans-94.567.4179.2-47.5176.8000111
39I92.5Very high92.4Very high36 Ų3658.1 Ų58.119%0.18530%0.298CS..  trans-111.7152.4177.756165.7000112L28 R32 L37 T43 I44L28-I39 HydrophobicContact CD2-CD1 4.1Å; R32-I39 PolarHBondContact NH1-O 3.4Å; L37-I39 HydrophobicContact CD1-CG2 4.38Å; L37-I39 HydrophobicContact CD2-CB 4.5Å; L37-I39 HydrophobicContact CD2-CD1 3.42Å; L37-I39 VanDerWaalsContact CD2-CD1 3.42Å; L37-I39 HydrophobicContact CD2-CG1 3.68Å; L37-I39 HydrophobicContact CD2-CG2 4.08Å; L37-I39 HydrophobicContact CG-CB 4.44Å; L37-I39 HydrophobicContact CG-CD1 4.21Å; L37-I39 HydrophobicContact CG-CG1 3.9Å; L37-I39 HydrophobicContact CG-CG2 3.87Å; L37-I39 PolarHBondContact O-N 3.12Å; I39-T43 HydrophobicContact CD1-CG2 4.23Å; I39-I44 HydrophobicContact CD1-CD1 4.3Å; I39-I44 HydrophobicContact CD1-CG1 3.48Å; I39-I44 VanDerWaalsContact CD1-CG1 3.48Å; I39-I44 HydrophobicContact CG1-CD1 4.12Å; I39-I44 HydrophobicContact CG1-CG1 3.8Å
40P93.6Very high92.3Very high77 Ų7760.5 Ų60.550%0.531%0.311SS..  trans-66.3148.1175.528.1-34.6000111.1W42 T43 I44P40-W42 PolarHBondContact O-N 3.41Å; P40-T43 PolarHBondContact O-N 3.22Å; P40-I44 PolarHBondContact O-N 3.41Å
41Y92.8Very high92.1Very high56 Ų5661.7 Ų61.722%0.2232%0.315CS..Hα-helixtrans-57.8-32.3-179.9-71.5-74.5000112.8R32 T43 I44 F45 L117R32-Y41 HydrophobicContact CG-CE1 4.22Å; Y41-T43 VanDerWaalsContact C-N 3.25Å; Y41-T43 PolarHBondContact O-N 3.11Å; Y41-I44 HydrophobicContact CD1-CD1 3.89Å; Y41-I44 HydrophobicContact CE1-CD1 4.27Å; Y41-I44 WeakPolarHBondContact O-CA 3.3Å; Y41-I44 WeakPolarHBondContact O-CB 3.45Å; Y41-I44 PolarHBondContact O-N 3.37Å; Y41-F45 VanDerWaalsContact O-CD2 3.31Å; Y41-F45 WeakPolarHBondContact O-CD2 3.49Å; Y41-F45 PolarHBondContact O-N 2.93Å; Y41-L117 HydrophobicContact CD1-CB 4.05Å; Y41-L117 HydrophobicContact CD1-CD1 4.05Å; Y41-L117 HydrophobicContact CD2-CB 3.75Å; Y41-L117 VanDerWaalsContact CD2-O 3.24Å; Y41-L117 WeakPolarHBondContact CD2-O 3.48Å; Y41-L117 HydrophobicContact CE1-CB 4.19Å; Y41-L117 HydrophobicContact CE1-CD1 4.14Å; Y41-L117 HydrophobicContact CE2-CB 3.89Å; Y41-L117 WeakPolarHBondContact CE2-O 3.37Å; Y41-L117 HydrophobicContact CG-CB 3.84Å
42W94.2Very high92Very high124 Ų12461.1 Ų61.147%0.4731%0.31SS..Hα-helixtrans-52.8-40.9173.3-65.992.2000113.3P40 L46 W49 I115P40-W42 PolarHBondContact O-N 3.41Å; W42-L46 PolarHBondContact O-N 3.27Å; W42-W49 HydrophobicContact CD2-CH2 4.29Å; W42-W49 AromaticContact CE3-CH2 3.41Å; W42-W49 HydrophobicContact CE3-CH2 3.41Å; W42-W49 VanDerWaalsContact CE3-CH2 3.41Å; W42-W49 AromaticContact CE3-CZ3 3.77Å; W42-W49 HydrophobicContact CE3-CZ3 3.77Å; W42-W49 AromaticContact CZ3-CH2 3.8Å; W42-W49 HydrophobicContact CZ3-CH2 3.8Å; W42-W49 HydrophobicContact CZ3-CZ3 4.31Å; W42-I115 HydrophobicContact CH2-CG1 4.46Å; W42-I115 HydrophobicContact CZ2-CG1 4.32Å
43T94.4Very high91.9Very high67 Ų6762 Ų6241%0.41132%0.322SS..Hα-helixtrans-72.7-33.8176.9-540000111.7I39 P40 Y41 L46I39-T43 HydrophobicContact CD1-CG2 4.23Å; P40-T43 PolarHBondContact O-N 3.22Å; Y41-T43 VanDerWaalsContact C-N 3.25Å; Y41-T43 PolarHBondContact O-N 3.11Å; T43-L46 WeakPolarHBondContact O-CB 3.49Å; T43-L46 PolarHBondContact O-N 3.39Å
44I95.1Very high91.9Very high0 Ų058.7 Ų58.70%031%0.305CS..Hα-helixtrans-64.5-43.7177.2-61.9173.5000110.3L28 I29 R32 I39 P40 Y41 P47L28-I44 HydrophobicContact CB-CG1 4.48Å; L28-I44 HydrophobicContact CB-CG2 4.08Å; I29-I44 HydrophobicContact CB-CG2 4.08Å; I29-I44 HydrophobicContact CD1-CG2 3.89Å; R32-I44 HydrophobicContact CB-CD1 3.61Å; R32-I44 HydrophobicContact CG-CD1 3.53Å; I39-I44 HydrophobicContact CD1-CD1 4.3Å; I39-I44 HydrophobicContact CD1-CG1 3.48Å; I39-I44 VanDerWaalsContact CD1-CG1 3.48Å; I39-I44 HydrophobicContact CG1-CD1 4.12Å; I39-I44 HydrophobicContact CG1-CG1 3.8Å; P40-I44 PolarHBondContact O-N 3.41Å; Y41-I44 HydrophobicContact CD1-CD1 3.89Å; Y41-I44 HydrophobicContact CE1-CD1 4.27Å; Y41-I44 WeakPolarHBondContact O-CA 3.3Å; Y41-I44 WeakPolarHBondContact O-CB 3.45Å; Y41-I44 PolarHBondContact O-N 3.37Å; I44-P47 WeakPolarHBondContact O-CD 3.3Å
45F95.3Very high91.7Very high4 Ų458.5 Ų58.52%0.01831%0.305CS..Hα-helixtrans-78-15.2-178.5-79.2-88.3000114.5W25 Y41 P47 L48 W49 E110 L113 C114 L117W25-F45 AromaticContact NE1-CD1 3.93Å; Y41-F45 VanDerWaalsContact O-CD2 3.31Å; Y41-F45 WeakPolarHBondContact O-CD2 3.49Å; Y41-F45 PolarHBondContact O-N 2.93Å; F45-P47 VanDerWaalsContact C-CD 3.47Å; F45-L48 HydrophobicContact CD1-CD1 4.13Å; F45-L48 HydrophobicContact CE1-CD1 4.5Å; F45-L48 WeakPolarHBondContact O-CB 3.43Å; F45-L48 PolarHBondContact O-N 3.34Å; F45-W49 HydrophobicContact CB-CD2 4.27Å; F45-W49 HydrophobicContact CB-CH2 3.83Å; F45-W49 HydrophobicContact CB-CZ2 3.5Å; F45-W49 VanDerWaalsContact CB-CZ2 3.5Å; F45-W49 HydrophobicContact CB-CZ3 4.35Å; F45-W49 HydrophobicContact CG-CZ2 4.24Å; F45-W49 PolarHBondContact O-N 3.49Å; F45-E110 HydrophobicContact CD1-CB 4.21Å; F45-E110 HydrophobicContact CE1-CB 4.38Å; F45-L113 HydrophobicContact CE1-CD2 4.15Å; F45-L113 HydrophobicContact CZ-CD2 3.81Å; F45-L113 HydrophobicContact CZ-CG 4.02Å; F45-C114 HydrophobicContact CD2-CB 3.86Å; F45-C114 HydrophobicContact CE2-CB 4.11Å; F45-C114 HydrophobicContact CG-CB 4.29Å; F45-L117 HydrophobicContact CE2-CD1 4.07Å; F45-L117 HydrophobicContact CZ-CD1 4.25Å
46L94.8Very high91.8Very high93 Ų9354.5 Ų54.549%0.48728%0.282SS..Hα-helixtrans-50.8-45.8-177.6-170.8160000114.3W42 T43 L48 W49 L50W42-L46 PolarHBondContact O-N 3.27Å; T43-L46 WeakPolarHBondContact O-CB 3.49Å; T43-L46 PolarHBondContact O-N 3.39Å; L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 PolarHBondContact O-N 3.02Å; L46-W49 PolarHBondContact O-N 2.95Å; L46-W49 VanDerWaalsContact O-N 3.13Å; L46-L50 PolarHBondContact O-N 3.04Å
47P94.3Very high91.8Very high16 Ų1653.1 Ų53.110%0.10427%0.274CS..Hα-helixtrans-59.9-34.3177.8-2233.8000113.1C21 V24 W25 L28 I44 F45C21-P47 WeakPolarHBondContact CB-O 3.35Å; C21-P47 WeakPolarHBondContact O-CB 3.29Å; V24-P47 HydrophobicContact CB-CB 4.36Å; V24-P47 HydrophobicContact CB-CG 4.38Å; V24-P47 HydrophobicContact CG1-CB 4.28Å; V24-P47 HydrophobicContact CG1-CG 3.78Å; W25-P47 HydrophobicContact CB-CB 4.37Å; L28-P47 HydrophobicContact CD1-CG 3.96Å; I44-P47 WeakPolarHBondContact O-CD 3.3Å; F45-P47 VanDerWaalsContact C-CD 3.47Å
48L92.8Very high91.6Very high12 Ų1250.4 Ų50.46%0.06326%0.261CS..Hα-helixtrans-71.3-32.3177.1-70.7-177.4000112.7V22 W25 F45 L46 W51 K52V22-L48 HydrophobicContact CG2-CD2 4.1Å; W25-L48 HydrophobicContact CB-CD2 4.05Å; W25-L48 HydrophobicContact CB-CG 3.87Å; W25-L48 VanDerWaalsContact CD1-CD1 3.44Å; W25-L48 HydrophobicContact CD2-CD1 3.58Å; W25-L48 HydrophobicContact CD2-CD2 4.18Å; W25-L48 HydrophobicContact CD2-CG 3.92Å; W25-L48 VanDerWaalsContact CE2-CD1 3.44Å; W25-L48 HydrophobicContact CE3-CD1 4.3Å; W25-L48 HydrophobicContact CE3-CD2 4.44Å; W25-L48 HydrophobicContact CG-CD1 3.62Å; W25-L48 HydrophobicContact CG-CD2 3.98Å; W25-L48 HydrophobicContact CG-CG 3.49Å; W25-L48 VanDerWaalsContact CG-CG 3.49Å; W25-L48 HydrophobicContact CZ2-CD1 4.07Å; W25-L48 VanDerWaalsContact NE1-CD1 3.34Å; F45-L48 HydrophobicContact CD1-CD1 4.13Å; F45-L48 HydrophobicContact CE1-CD1 4.5Å; F45-L48 WeakPolarHBondContact O-CB 3.43Å; F45-L48 PolarHBondContact O-N 3.34Å; L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 PolarHBondContact O-N 3.02Å; L48-W51 PolarHBondContact O-NE1 3.43Å; L48-K52 WeakPolarHBondContact O-CG 3.17Å; L48-K52 PolarHBondContact O-NZ 2.92Å
49W94.6Very high91.4Very high47 Ų4746.5 Ų46.518%0.17824%0.236CC..Hα-helixtrans-76-35.9176.4-59.7-25.2000111.4W42 F45 L46 W51 K52 T53 V111 C114W42-W49 HydrophobicContact CD2-CH2 4.29Å; W42-W49 AromaticContact CE3-CH2 3.41Å; W42-W49 HydrophobicContact CE3-CH2 3.41Å; W42-W49 VanDerWaalsContact CE3-CH2 3.41Å; W42-W49 AromaticContact CE3-CZ3 3.77Å; W42-W49 HydrophobicContact CE3-CZ3 3.77Å; W42-W49 AromaticContact CZ3-CH2 3.8Å; W42-W49 HydrophobicContact CZ3-CH2 3.8Å; W42-W49 HydrophobicContact CZ3-CZ3 4.31Å; F45-W49 HydrophobicContact CB-CD2 4.27Å; F45-W49 HydrophobicContact CB-CH2 3.83Å; F45-W49 HydrophobicContact CB-CZ2 3.5Å; F45-W49 VanDerWaalsContact CB-CZ2 3.5Å; F45-W49 HydrophobicContact CB-CZ3 4.35Å; F45-W49 HydrophobicContact CG-CZ2 4.24Å; F45-W49 PolarHBondContact O-N 3.49Å; L46-W49 PolarHBondContact O-N 2.95Å; L46-W49 VanDerWaalsContact O-N 3.13Å; W49-W51 PolarHBondContact O-N 3.16Å; W49-K52 PolarHBondContact O-N 3.19Å; W49-K52 VanDerWaalsContact O-N 3.11Å; W49-T53 WeakPolarHBondContact O-CG2 3.37Å; W49-T53 PolarHBondContact O-N 2.87Å; W49-T53 PolarHBondContact O-OG1 3.46Å; W49-V111 HydrophobicContact CZ2-CG2 4.18Å; W49-C114 HydrophobicContact CH2-CB 4.47Å; W49-C114 HydrophobicContact CZ2-CB 4.19Å
50L93Very high91.3Very high80 Ų8048.9 Ų48.942%0.41925%0.249SC..Hα-helixtrans-56.5-46.7-176.8-174.5149.6000113.3L46 K52 T53 I54L46-L50 PolarHBondContact O-N 3.04Å; L50-K52 VanDerWaalsContact C-N 3.35Å; L50-T53 PolarHBondContact O-OG1 2.88Å; L50-I54 HydrophobicContact CD2-CD1 3.82Å; L50-I54 WeakPolarHBondContact O-CG1 3.42Å; L50-I54 PolarHBondContact O-N 3.4Å
51W88.3Confident91Very high25 Ų2548.2 Ų48.210%0.09524%0.243CC..Hα-helixtrans-74.1-28.7179.671.3-92.6000112.3I18 C21 L48 W49 I54 V55 H103I18-W51 HydrophobicContact CD1-CE3 4.24Å; I18-W51 HydrophobicContact CD1-CZ3 4.2Å; I18-W51 HydrophobicContact CG1-CD2 4.12Å; I18-W51 HydrophobicContact CG1-CE3 3.82Å; I18-W51 HydrophobicContact CG1-CZ3 4.21Å; C21-W51 HydrophobicContact CB-CB 4.3Å; C21-W51 HydrophobicContact CB-CG 4.23Å; L48-W51 PolarHBondContact O-NE1 3.43Å; W49-W51 PolarHBondContact O-N 3.16Å; W51-I54 WeakPolarHBondContact O-CB 3.44Å; W51-I54 PolarHBondContact O-N 2.99Å; W51-V55 HydrophobicContact CE3-CG2 4.28Å; W51-V55 HydrophobicContact CZ3-CG2 4.48Å; W51-V55 WeakPolarHBondContact O-CG2 3.39Å; W51-V55 PolarHBondContact O-N 3.04Å; W51-V55 VanDerWaalsContact O-N 3.16Å; W51-H103 AromaticContact CH2-CE1 3.27Å; W51-H103 WeakPolarHBondContact CH2-CE1 3.37Å; W51-H103 AromaticContact CH2-ND1 3.29Å; W51-H103 VanDerWaalsContact CH2-ND1 3.29Å; W51-H103 WeakPolarHBondContact CH2-ND1 3.29Å; W51-H103 AromaticContact CZ3-CE1 3.16Å; W51-H103 WeakPolarHBondContact CZ3-CE1 3.48Å; W51-H103 AromaticContact CZ3-ND1 3.38Å; W51-H103 WeakPolarHBondContact CZ3-ND1 3.48Å; W51-H103 AromaticContact CZ3-NE2 3.95Å
52K89.4Confident90.6Very high2 Ų246.3 Ų46.31%0.00924%0.24CC..Hα-helixtrans-71.9-40175.4-65.6-172.9-168.579.10111.5L48 W49 L50 I54 V55 F56 I106 T107 E110L48-K52 WeakPolarHBondContact O-CG 3.17Å; L48-K52 PolarHBondContact O-NZ 2.92Å; W49-K52 PolarHBondContact O-N 3.19Å; W49-K52 VanDerWaalsContact O-N 3.11Å; L50-K52 VanDerWaalsContact C-N 3.35Å; K52-I54 VanDerWaalsContact C-N 3.25Å; K52-I54 PolarHBondContact O-N 2.9Å; K52-V55 WeakPolarHBondContact O-CB 3.47Å; K52-V55 PolarHBondContact O-N 2.94Å; K52-F56 WeakPolarHBondContact O-CD2 3.3Å; K52-F56 PolarHBondContact O-N 3.38Å; K52-I106 VanDerWaalsContact CE-CG2 3.5Å; K52-T107 WeakPolarHBondContact CD-OG1 3.25Å; K52-E110 WeakPolarHBondContact CE-OE1 3.43Å; K52-E110 IonicContact NZ-OE1 3.45Å; K52-E110 PolarHBondContact NZ-OE1 3.28Å; K52-E110 IonicContact NZ-OE2 2.74Å; K52-E110 PolarHBondContact NZ-OE2 3.14Å
53T90.8Very high90.1Very high75 Ų7542.6 Ų42.646%0.4623%0.23SC..Hα-helixtrans-61.5-37.2173.957.40000111W49 L50 V55 F56 V57W49-T53 WeakPolarHBondContact O-CG2 3.37Å; W49-T53 PolarHBondContact O-N 2.87Å; W49-T53 PolarHBondContact O-OG1 3.46Å; L50-T53 PolarHBondContact O-OG1 2.88Å; T53-V55 PolarHBondContact O-N 3.44Å; T53-F56 PolarHBondContact O-N 2.91Å; T53-V57 WeakPolarHBondContact O-CB 3.36Å; T53-V57 VanDerWaalsContact O-CG2 3.26Å; T53-V57 WeakPolarHBondContact O-CG2 3.25Å; T53-V57 PolarHBondContact O-N 3.17Å
54I87.8Confident89.7Confident30 Ų3043.3 Ų43.315%0.15423%0.23CC..Hα-helixtrans-56.6-47.3170.1-72.6170000111.4L50 W51 K52 V57 G58 W350 F351L50-I54 HydrophobicContact CD2-CD1 3.82Å; L50-I54 WeakPolarHBondContact O-CG1 3.42Å; L50-I54 PolarHBondContact O-N 3.4Å; W51-I54 WeakPolarHBondContact O-CB 3.44Å; W51-I54 PolarHBondContact O-N 2.99Å; K52-I54 VanDerWaalsContact C-N 3.25Å; K52-I54 PolarHBondContact O-N 2.9Å; I54-V57 PolarHBondContact O-N 3Å; I54-G58 PolarHBondContact O-N 3.39Å; I54-W350 HydrophobicContact CG2-CZ2 4.47Å; I54-F351 HydrophobicContact CB-CE2 4.4Å; I54-F351 HydrophobicContact CB-CZ 4.05Å; I54-F351 HydrophobicContact CD1-CE2 4.45Å; I54-F351 HydrophobicContact CD1-CZ 4.09Å; I54-F351 HydrophobicContact CG1-CE1 4.4Å; I54-F351 HydrophobicContact CG1-CE2 4.4Å; I54-F351 HydrophobicContact CG1-CZ 3.76Å; I54-F351 HydrophobicContact CG2-CD1 4.41Å; I54-F351 HydrophobicContact CG2-CD2 3.82Å; I54-F351 HydrophobicContact CG2-CE1 3.9Å; I54-F351 HydrophobicContact CG2-CE2 3.25Å; I54-F351 HydrophobicContact CG2-CG 4.4Å; I54-F351 HydrophobicContact CG2-CZ 3.31Å
55V85.2Confident89.2Confident31 Ų3147.5 Ų47.519%0.18826%0.256CS..Hα-helixtrans-62.6-43.3177.4175.90000111.4W51 K52 T53 G58 W59W51-V55 HydrophobicContact CE3-CG2 4.28Å; W51-V55 HydrophobicContact CZ3-CG2 4.48Å; W51-V55 WeakPolarHBondContact O-CG2 3.39Å; W51-V55 PolarHBondContact O-N 3.04Å; W51-V55 VanDerWaalsContact O-N 3.16Å; K52-V55 WeakPolarHBondContact O-CB 3.47Å; K52-V55 PolarHBondContact O-N 2.94Å; T53-V55 PolarHBondContact O-N 3.44Å; V55-G58 PolarHBondContact O-N 2.78Å; V55-W59 PolarHBondContact O-N 3.44Å
56F88.8Confident88.4Confident51 Ų5150.6 Ų50.622%0.22427%0.267CS..Hα-helixtrans-61.9-44.4176.3-82.7-67.4000113.1K52 T53 G58 W59 L60 A100 H103 F104K52-F56 WeakPolarHBondContact O-CD2 3.3Å; K52-F56 PolarHBondContact O-N 3.38Å; T53-F56 PolarHBondContact O-N 2.91Å; F56-G58 VanDerWaalsContact C-N 3.33Å; F56-W59 HydrophobicContact CD1-CE3 4.5Å; F56-W59 PolarHBondContact O-N 3.04Å; F56-L60 WeakPolarHBondContact O-CB 3.39Å; F56-L60 PolarHBondContact O-N 2.9Å; F56-A100 HydrophobicContact CD1-CB 4.33Å; F56-A100 HydrophobicContact CE1-CB 4.12Å; F56-A100 WeakPolarHBondContact CE1-O 3.24Å; F56-A100 VanDerWaalsContact CZ-O 3.24Å; F56-A100 WeakPolarHBondContact CZ-O 3.34Å; F56-H103 HydrophobicContact CE2-CB 4.31Å; F56-H103 HydrophobicContact CZ-CB 4.4Å; F56-F104 HydrophobicContact CE1-CB 4.11Å; F56-F104 HydrophobicContact CE1-CD2 4.44Å; F56-F104 VanDerWaalsContact CZ-CA 3.48Å; F56-F104 HydrophobicContact CZ-CB 3.56Å; F56-F104 HydrophobicContact CZ-CD2 4.04Å; F56-F104 HydrophobicContact CZ-CG 4.3Å
57V89.9Confident87.8Confident75 Ų7549 Ų4946%0.45526%0.263SS..Hα-helixtrans-62.7-43.3176.71710000110T53 I54 W59 L60 V61T53-V57 WeakPolarHBondContact O-CB 3.36Å; T53-V57 VanDerWaalsContact O-CG2 3.26Å; T53-V57 WeakPolarHBondContact O-CG2 3.25Å; T53-V57 PolarHBondContact O-N 3.17Å; I54-V57 PolarHBondContact O-N 3Å; V57-W59 PolarHBondContact O-N 2.98Å; V57-L60 PolarHBondContact O-N 2.88Å; V57-V61 HydrophobicContact CG1-CG2 4.4Å; V57-V61 WeakPolarHBondContact O-CB 3.19Å; V57-V61 VanDerWaalsContact O-CG2 3.29Å; V57-V61 WeakPolarHBondContact O-CG2 3.49Å; V57-V61 PolarHBondContact O-N 3.44Å
58G85.4Confident87.1Confident6 Ų655.3 Ų55.36%0.06229%0.289CS..Hα-helixtrans-59.8-44.4175.200000113I54 V55 F56 G62I54-G58 PolarHBondContact O-N 3.39Å; V55-G58 PolarHBondContact O-N 2.78Å; F56-G58 VanDerWaalsContact C-N 3.33Å; G58-G62 PolarHBondContact O-N 3.24Å
59W87Confident86Confident69 Ų6962.4 Ų62.426%0.26132%0.315SS..Hα-helixtrans-63.5-45.4174.2168.973.9000112.1V55 F56 V57 V61 G62 L63 S97 A100V55-W59 PolarHBondContact O-N 3.44Å; F56-W59 HydrophobicContact CD1-CE3 4.5Å; F56-W59 PolarHBondContact O-N 3.04Å; V57-W59 PolarHBondContact O-N 2.98Å; W59-V61 PolarHBondContact O-N 2.98Å; W59-G62 PolarHBondContact O-N 3.46Å; W59-L63 HydrophobicContact CH2-CD2 4.19Å; W59-L63 HydrophobicContact CZ2-CD2 4.03Å; W59-L63 WeakPolarHBondContact O-CB 3.34Å; W59-L63 PolarHBondContact O-N 3.34Å; W59-S97 PolarHBondContact NE1-OG 2.96Å; W59-A100 HydrophobicContact CB-CB 3.88Å; W59-A100 HydrophobicContact CD2-CB 3.91Å; W59-A100 HydrophobicContact CE3-CB 4.4Å; W59-A100 HydrophobicContact CG-CB 3.65Å
60L90.1Very high84.8Confident86 Ų8666.4 Ų66.445%0.4533%0.33SS..Hα-helixtrans-61.6-44.2179.8-175.868000111.3F56 V57 L63 I64F56-L60 WeakPolarHBondContact O-CB 3.39Å; F56-L60 PolarHBondContact O-N 2.9Å; V57-L60 PolarHBondContact O-N 2.88Å; L60-L63 PolarHBondContact O-N 2.91Å; L60-I64 HydrophobicContact CD1-CD1 4.33Å; L60-I64 HydrophobicContact CG-CD1 3.93Å; L60-I64 WeakPolarHBondContact O-CB 3.5Å; L60-I64 WeakPolarHBondContact O-CD1 3.48Å; L60-I64 WeakPolarHBondContact O-CG1 3.39Å; L60-I64 PolarHBondContact O-N 2.84Å
61V87.7Confident83.4Confident64 Ų6471.2 Ų71.239%0.38834%0.343SS..Hα-helixtrans-62.1-46.7174.7172.30000110.6V57 W59 L63 I64 V65V57-V61 HydrophobicContact CG1-CG2 4.4Å; V57-V61 WeakPolarHBondContact O-CB 3.19Å; V57-V61 VanDerWaalsContact O-CG2 3.29Å; V57-V61 WeakPolarHBondContact O-CG2 3.49Å; V57-V61 PolarHBondContact O-N 3.44Å; W59-V61 PolarHBondContact O-N 2.98Å; V61-L63 VanDerWaalsContact C-N 3.32Å; V61-L63 PolarHBondContact O-N 3.23Å; V61-I64 PolarHBondContact O-N 3.29Å; V61-V65 HydrophobicContact CG1-CG2 4.42Å; V61-V65 WeakPolarHBondContact O-CB 3.22Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.45Å; V61-V65 PolarHBondContact O-N 3.08Å
62G83.4Confident82Confident15 Ų1575.4 Ų75.416%0.15537%0.366CS..Hα-helixtrans-58.1-42.617600000112.8G58 W59 W66G58-G62 PolarHBondContact O-N 3.24Å; W59-G62 PolarHBondContact O-N 3.46Å; G62-W66 VanDerWaalsContact O-CB 3.3Å; G62-W66 WeakPolarHBondContact O-CB 3.49Å; G62-W66 PolarHBondContact O-N 2.87Å
63L84.9Confident80.3Confident47 Ų4780 Ų8025%0.24638%0.383CS..Hα-helixtrans-64.6-47.9176.3-170.980.1000111.4W59 L60 V61 V65 W66 C67 I93W59-L63 HydrophobicContact CH2-CD2 4.19Å; W59-L63 HydrophobicContact CZ2-CD2 4.03Å; W59-L63 WeakPolarHBondContact O-CB 3.34Å; W59-L63 PolarHBondContact O-N 3.34Å; L60-L63 PolarHBondContact O-N 2.91Å; V61-L63 VanDerWaalsContact C-N 3.32Å; V61-L63 PolarHBondContact O-N 3.23Å; L63-V65 VanDerWaalsContact C-N 3.34Å; L63-V65 PolarHBondContact O-N 2.76Å; L63-W66 HydrophobicContact CD1-CE3 4.46Å; L63-W66 PolarHBondContact O-N 3.27Å; L63-C67 WeakPolarHBondContact O-CB 3.38Å; L63-C67 PolarHBondContact O-N 3.35Å; L63-C67 PolarHBondContact O-SG 2.95Å; L63-I93 HydrophobicContact CB-CD1 4.2Å; L63-I93 HydrophobicContact CD1-CD1 4.16Å; L63-I93 HydrophobicContact CD1-CG1 4.23Å
64I86.3Confident78.7Confident81 Ų8179 Ų7942%0.41538%0.377SS..Hα-helixtrans-61-44.1178.9-69.4165000110.7L60 V61 C67 K68L60-I64 HydrophobicContact CD1-CD1 4.33Å; L60-I64 HydrophobicContact CG-CD1 3.93Å; L60-I64 WeakPolarHBondContact O-CB 3.5Å; L60-I64 WeakPolarHBondContact O-CD1 3.48Å; L60-I64 WeakPolarHBondContact O-CG1 3.39Å; L60-I64 PolarHBondContact O-N 2.84Å; V61-I64 PolarHBondContact O-N 3.29Å; I64-C67 PolarHBondContact O-N 3.4Å; I64-K68 HydrophobicContact CG2-CD 4.49Å; I64-K68 WeakPolarHBondContact O-CG 3.35Å; I64-K68 PolarHBondContact O-N 3.29Å
65V82.6Confident77.2Confident89 Ų8983 Ų8354%0.53940%0.398SS..Hα-helixtrans-63.9-43177.4171.80000110.8V61 L63 K68 R69V61-V65 HydrophobicContact CG1-CG2 4.42Å; V61-V65 WeakPolarHBondContact O-CB 3.22Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.45Å; V61-V65 PolarHBondContact O-N 3.08Å; L63-V65 VanDerWaalsContact C-N 3.34Å; L63-V65 PolarHBondContact O-N 2.76Å; V65-K68 PolarHBondContact O-N 3.43Å; V65-R69 WeakPolarHBondContact O-CB 3.49Å; V65-R69 PolarHBondContact O-N 3.27Å
66W79.6Confident75.8Confident69 Ų6988 Ų8826%0.26142%0.424SS..Hα-helixtrans-62.7-48.6176.2-179.773.5000111.6G62 L63 K68 R69 W70 L90 I93G62-W66 VanDerWaalsContact O-CB 3.3Å; G62-W66 WeakPolarHBondContact O-CB 3.49Å; G62-W66 PolarHBondContact O-N 2.87Å; L63-W66 HydrophobicContact CD1-CE3 4.46Å; L63-W66 PolarHBondContact O-N 3.27Å; W66-K68 VanDerWaalsContact C-N 3.34Å; W66-K68 PolarHBondContact O-N 3.36Å; W66-R69 PolarHBondContact O-N 2.89Å; W66-R69 VanDerWaalsContact O-N 3.17Å; W66-W70 VanDerWaalsContact O-CB 3.27Å; W66-W70 WeakPolarHBondContact O-CB 3.28Å; W66-W70 PolarHBondContact O-N 3.2Å; W66-L90 HydrophobicContact CZ2-CD1 4.06Å; W66-I93 HydrophobicContact CD2-CG1 4.46Å; W66-I93 HydrophobicContact CD2-CG2 4.25Å; W66-I93 HydrophobicContact CG-CG1 4.47Å; W66-I93 HydrophobicContact CG-CG2 4.39Å
67C82Confident74Confident60 Ų6088.4 Ų88.441%0.40543%0.433SS..Hα-helixtrans-58.4-42.4176.8-70.90000112.4L63 I64 R71L63-C67 WeakPolarHBondContact O-CB 3.38Å; L63-C67 PolarHBondContact O-N 3.35Å; L63-C67 PolarHBondContact O-SG 2.95Å; I64-C67 PolarHBondContact O-N 3.4Å; C67-R71 PolarHBondContact O-N 3.21Å; C67-R71 VanDerWaalsContact O-N 3.13Å
68K79.4Confident72.2Confident148 Ų14893.2 Ų93.264%0.64345%0.451SS*.Hα-helixtrans-63-43176.2-77.8-174.4176.7-174.60112.2I64 V65 W66 I72I64-K68 HydrophobicContact CG2-CD 4.49Å; I64-K68 WeakPolarHBondContact O-CG 3.35Å; I64-K68 PolarHBondContact O-N 3.29Å; V65-K68 PolarHBondContact O-N 3.43Å; W66-K68 VanDerWaalsContact C-N 3.34Å; W66-K68 PolarHBondContact O-N 3.36Å; K68-I72 WeakPolarHBondContact O-CG1 3.43Å
69R70Confident70.5Confident160 Ų160101.6 Ų101.660%0.60449%0.488SS*.Hα-helixtrans-76.1-31.8-178.8-166.8173.9-173.1-1720.5112.8V65 W66 R73V65-R69 WeakPolarHBondContact O-CB 3.49Å; V65-R69 PolarHBondContact O-N 3.27Å; W66-R69 PolarHBondContact O-N 2.89Å; W66-R69 VanDerWaalsContact O-N 3.17Å; R69-R73 PolarHBondContact O-N 2.85Å
70W69.3Low68.4Low132 Ų132102.1 Ų102.150%0.550%0.502SS..Hα-helixtrans-64.4-45.4175.1-174.977.7000110.6W66 I72 R73 V74W66-W70 VanDerWaalsContact O-CB 3.27Å; W66-W70 WeakPolarHBondContact O-CB 3.28Å; W66-W70 PolarHBondContact O-N 3.2Å; W70-I72 VanDerWaalsContact C-N 3.33Å; W70-I72 PolarHBondContact O-N 3.01Å; W70-R73 PolarHBondContact O-N 3.46Å; W70-V74 HydrophobicContact CD2-CG2 3.9Å; W70-V74 HydrophobicContact CE3-CG2 4.18Å; W70-V74 HydrophobicContact CH2-CG2 4.01Å; W70-V74 HydrophobicContact CZ2-CG2 3.71Å; W70-V74 HydrophobicContact CZ3-CG2 4.23Å; W70-V74 WeakPolarHBondContact O-CG2 3.33Å; W70-V74 PolarHBondContact O-N 3.45Å
71R62.8Low65.9Low181 Ų181103.8 Ų103.868%0.68352%0.516SS*.Hα-helixtrans-56.2-44.5176.2-172.9174169.4173.8-2.8112.8C67 R73 V74 D75C67-R71 PolarHBondContact O-N 3.21Å; C67-R71 VanDerWaalsContact O-N 3.13Å; R71-R73 VanDerWaalsContact C-N 3.26Å; R71-R73 PolarHBondContact O-N 2.81Å; R71-V74 PolarHBondContact O-N 2.86Å; R71-D75 PolarHBondContact O-N 3.47Å
72I58.8Low63.7Low112 Ų112110.5 Ų110.557%0.57454%0.54SS*.Hα-helixtrans-61.8-34.7177.2-62.9165000111.7K68 W70K68-I72 WeakPolarHBondContact O-CG1 3.43Å; W70-I72 VanDerWaalsContact C-N 3.33Å; W70-I72 PolarHBondContact O-N 3.01Å
73R55.1Low61.7Low100 Ų100116.3 Ų116.338%0.37757%0.567SS.*Hα-helixtrans-80-29.7-176.7-159.8177.5-63-145.7-8.1113R69 W70 R71 S77 D87R69-R73 PolarHBondContact O-N 2.85Å; W70-R73 PolarHBondContact O-N 3.46Å; R71-R73 VanDerWaalsContact C-N 3.26Å; R71-R73 PolarHBondContact O-N 2.81Å; R73-S77 WeakPolarHBondContact O-CB 3.23Å; R73-S77 PolarHBondContact O-OG 3.45Å; R73-D87 IonicContact CZ-OD1 3.73Å; R73-D87 IonicContact NE-OD1 3.86Å; R73-D87 IonicContact NH1-OD1 3.12Å; R73-D87 PolarHBondContact NH1-OD1 3.16Å
74V57.4Low60Low54 Ų54119.9 Ų119.933%0.32759%0.591SS.*Hα-helixtrans-70.6-41.2177.1174.70000110.5W70 R71 D76 S77W70-V74 HydrophobicContact CD2-CG2 3.9Å; W70-V74 HydrophobicContact CE3-CG2 4.18Å; W70-V74 HydrophobicContact CH2-CG2 4.01Å; W70-V74 HydrophobicContact CZ2-CG2 3.71Å; W70-V74 HydrophobicContact CZ3-CG2 4.23Å; W70-V74 WeakPolarHBondContact O-CG2 3.33Å; W70-V74 PolarHBondContact O-N 3.45Å; R71-V74 PolarHBondContact O-N 2.86Å; V74-D76 VanDerWaalsContact C-N 3.27Å; V74-D76 PolarHBondContact O-N 2.94Å; V74-S77 WeakPolarHBondContact CA-OG 3.41Å; V74-S77 PolarHBondContact O-N 3.45Å; V74-S77 PolarHBondContact O-OG 2.98Å
75D56Low58Low113 Ų113126.6 Ų126.660%0.60461%0.61SS**Hα-helixtrans-63.6-29.5-179.6-67.4-20.7000112.7R71R71-D75 PolarHBondContact O-N 3.47Å
76D54.8Low56.8Low136 Ų136129.1 Ų129.173%0.72762%0.621SS**THydrogen-bonded Turntrans-81.1-12.8174.8-77-22.9000113.6V74V74-D76 VanDerWaalsContact C-N 3.27Å; V74-D76 PolarHBondContact O-N 2.94Å
77S52.6Low55.9Low59 Ų59127.7 Ų127.741%0.41362%0.618SS.*THydrogen-bonded Turntrans-101.4-3.5-164.970.20000116R73 V74 H79 S80R73-S77 WeakPolarHBondContact O-CB 3.23Å; R73-S77 PolarHBondContact O-OG 3.45Å; V74-S77 WeakPolarHBondContact CA-OG 3.41Å; V74-S77 PolarHBondContact O-N 3.45Å; V74-S77 PolarHBondContact O-OG 2.98Å; S77-H79 PolarHBondContact O-N 2.85Å; S77-S80 PolarHBondContact O-N 3.35Å
78E51.9Low55.2Low177 Ų177129.1 Ų129.183%0.82763%0.627SS**THydrogen-bonded Turntrans-61.3-9177.3-82.6-165.2151.200114.2
79H49.8Very low54.8Low182 Ų182124 Ų12484%0.84361%0.612SS**THydrogen-bonded Turntrans-116.14.3-177.7-77.973000116.3S77S77-H79 PolarHBondContact O-N 2.85Å
80S41.2Very low55Low80 Ų80119.5 Ų119.556%0.55960%0.6SS**SBendtrans-144.3105175.554.30000112.8S77S77-S80 PolarHBondContact O-N 3.35Å
81T39.3Very low55Low120 Ų120116.7 Ų116.774%0.73660%0.599SS**  trans37.4114.1149.743.70000117.4L83T81-L83 PolarHBondContact O-N 3.03Å
82F40.6Very low55.4Low205 Ų205113.9 Ų113.990%0.89959%0.589SS**  trans-3975.3154.1-178.8-98.1000112.7
83L42.2Very low56.4Low138 Ų138109.1 Ų109.172%0.72357%0.565SS**  trans-124.9104.5171.3-136.5137.4000103.3T81 R85T81-L83 PolarHBondContact O-N 3.03Å; L83-R85 PolarHBondContact O-N 2.67Å
84V47.5Very low57.6Low122 Ų122109.6 Ų109.674%0.73957%0.571SS**  trans-53.783.6173.7178.50000107.5D86V84-D86 PolarHBondContact O-N 3.22Å
85R46Very low58.4Low221 Ų221110 Ų11083%0.83458%0.58SS**  trans-88108.4179.3-170.5170.6-135.6-163.63105.6L83 D87L83-R85 PolarHBondContact O-N 2.67Å; R85-D87 PolarHBondContact O-N 3.1Å
86D56.6Low59.4Low143 Ų143106.3 Ų106.377%0.76556%0.559SS**  trans-42.3101.2178.7-63.9-53.8000110.7V84 P88V84-D86 PolarHBondContact O-N 3.22Å; D86-P88 VanDerWaalsContact O-CD 3.25Å; D86-P88 WeakPolarHBondContact O-CD 3.45Å; D86-P88 VanDerWaalsContact O-N 3.12Å
87D61.3Low60.9Low38 Ų38101.7 Ų101.720%0.20354%0.538CS..  trans-64.7115.5174.6-98.1-24.2000107.1R73 R85 A89 L90R73-D87 IonicContact CZ-OD1 3.73Å; R73-D87 IonicContact NE-OD1 3.86Å; R73-D87 IonicContact NH1-OD1 3.12Å; R73-D87 PolarHBondContact NH1-OD1 3.16Å; R85-D87 PolarHBondContact O-N 3.1Å; D87-A89 PolarHBondContact O-N 2.97Å; D87-L90 HydrophobicContact CB-CB 4.12Å; D87-L90 WeakPolarHBondContact O-CB 3.29Å; D87-L90 PolarHBondContact O-N 3.41Å
88P66.5Low62.2Low91 Ų91102.6 Ų102.659%0.59154%0.541SS*.THydrogen-bonded Turntrans-64.1-16.5-172.425.3-34.8000112.3D86 Y92D86-P88 VanDerWaalsContact O-CD 3.25Å; D86-P88 WeakPolarHBondContact O-CD 3.45Å; D86-P88 VanDerWaalsContact O-N 3.12Å; P88-Y92 WeakPolarHBondContact O-CD2 3.21Å; P88-Y92 WeakPolarHBondContact O-CE2 3.46Å
89A71.3Confident63.6Low39 Ų3996.4 Ų96.432%0.32252%0.517SS..THydrogen-bonded Turntrans-86.3-20.3177.200000114D87 Y92 I93D87-A89 PolarHBondContact O-N 2.97Å; A89-Y92 PolarHBondContact O-N 3.33Å; A89-I93 PolarHBondContact O-N 3.42Å; A89-I93 VanDerWaalsContact O-N 3.13Å
90L73.6Confident65.4Low67 Ų6787.9 Ų87.935%0.35148%0.478SS..Hα-helixtrans-58.8-47.3-175.3-172.364.7000114W66 D87 Y92 I93 Q94W66-L90 HydrophobicContact CZ2-CD1 4.06Å; D87-L90 HydrophobicContact CB-CB 4.12Å; D87-L90 WeakPolarHBondContact O-CB 3.29Å; D87-L90 PolarHBondContact O-N 3.41Å; L90-Y92 PolarHBondContact O-N 3.38Å; L90-I93 HydrophobicContact CD1-CG2 4.2Å; L90-I93 VanDerWaalsContact O-CG2 3.25Å; L90-I93 WeakPolarHBondContact O-CG2 3.29Å; L90-I93 PolarHBondContact O-N 3.48Å; L90-Q94 HydrophobicContact CD1-CG 4.43Å; L90-Q94 HydrophobicContact CG-CG 4.47Å; L90-Q94 WeakPolarHBondContact O-CB 3.44Å; L90-Q94 VanDerWaalsContact O-CG 3.3Å; L90-Q94 WeakPolarHBondContact O-CG 3.07Å; L90-Q94 PolarHBondContact O-N 2.91Å
91P70.6Confident67.6Low73 Ų7388.7 Ų88.747%0.47447%0.472SS..Hα-helixtrans-63.4-31.4179.324.1-34.3000112.4A95P91-A95 WeakPolarHBondContact O-CB 3.25Å; P91-A95 PolarHBondContact O-N 2.87Å
92Y71Confident69.8Low122 Ų12285.8 Ų85.848%0.47845%0.449SS..Hα-helixtrans-70.8-46.2178.6-61.2-80.2000111.8P88 A89 L90 Q94 A95 M96 W349P88-Y92 WeakPolarHBondContact O-CD2 3.21Å; P88-Y92 WeakPolarHBondContact O-CE2 3.46Å; A89-Y92 PolarHBondContact O-N 3.33Å; L90-Y92 PolarHBondContact O-N 3.38Å; Y92-Q94 VanDerWaalsContact C-N 3.3Å; Y92-Q94 PolarHBondContact O-N 3.48Å; Y92-A95 PolarHBondContact O-N 3.22Å; Y92-M96 VanDerWaalsContact O-CG 3.28Å; Y92-M96 WeakPolarHBondContact O-CG 3.48Å; Y92-M96 PolarHBondContact O-N 2.87Å; Y92-W349 AromaticContact CD1-NE1 3.6Å; Y92-W349 AromaticContact CE1-NE1 3.77Å
93I80Confident72.1Confident12 Ų1277.6 Ų77.66%0.06241%0.414CS..Hα-helixtrans-67.5-34178-168.161.7000111.4L63 W66 A89 L90 M96 S97L63-I93 HydrophobicContact CB-CD1 4.2Å; L63-I93 HydrophobicContact CD1-CD1 4.16Å; L63-I93 HydrophobicContact CD1-CG1 4.23Å; W66-I93 HydrophobicContact CD2-CG1 4.46Å; W66-I93 HydrophobicContact CD2-CG2 4.25Å; W66-I93 HydrophobicContact CG-CG1 4.47Å; W66-I93 HydrophobicContact CG-CG2 4.39Å; A89-I93 PolarHBondContact O-N 3.42Å; A89-I93 VanDerWaalsContact O-N 3.13Å; L90-I93 HydrophobicContact CD1-CG2 4.2Å; L90-I93 VanDerWaalsContact O-CG2 3.25Å; L90-I93 WeakPolarHBondContact O-CG2 3.29Å; L90-I93 PolarHBondContact O-N 3.48Å; I93-M96 PolarHBondContact O-N 2.84Å; I93-S97 VanDerWaalsContact O-CB 3.28Å; I93-S97 WeakPolarHBondContact O-CB 3.3Å; I93-S97 PolarHBondContact O-N 3.01Å; I93-S97 PolarHBondContact O-OG 3.42Å
94Q79.2Confident74.4Confident109 Ų10976.3 Ų76.351%0.50940%0.402SS..Hα-helixtrans-61.4-49.4171.8-74.9176.7-22.600110.9L90 Y92 M96 S97 V98L90-Q94 HydrophobicContact CD1-CG 4.43Å; L90-Q94 HydrophobicContact CG-CG 4.47Å; L90-Q94 WeakPolarHBondContact O-CB 3.44Å; L90-Q94 VanDerWaalsContact O-CG 3.3Å; L90-Q94 WeakPolarHBondContact O-CG 3.07Å; L90-Q94 PolarHBondContact O-N 2.91Å; Y92-Q94 VanDerWaalsContact C-N 3.3Å; Y92-Q94 PolarHBondContact O-N 3.48Å; Q94-M96 PolarHBondContact O-N 3.18Å; Q94-S97 PolarHBondContact O-N 3.48Å; Q94-V98 WeakPolarHBondContact O-CG2 3.3Å; Q94-V98 PolarHBondContact O-N 3.32Å
95A73.6Confident76.5Confident63 Ų6371.5 Ų71.552%0.52137%0.372SS..Hα-helixtrans-61-43.3177.500000112.4P91 Y92 S97 V98 S99P91-A95 WeakPolarHBondContact O-CB 3.25Å; P91-A95 PolarHBondContact O-N 2.87Å; Y92-A95 PolarHBondContact O-N 3.22Å; A95-S97 VanDerWaalsContact C-N 3.34Å; A95-S97 PolarHBondContact O-N 2.92Å; A95-V98 PolarHBondContact O-N 2.82Å; A95-S99 WeakPolarHBondContact O-CB 3.49Å; A95-S99 PolarHBondContact O-N 2.96Å
96M78.7Confident78.6Confident35 Ų3563 Ų6317%0.17234%0.343CS..Hα-helixtrans-63.5-39.9175.6-68.5179.7-163.300112.1Y92 I93 Q94 S99 A100 W349Y92-M96 VanDerWaalsContact O-CG 3.28Å; Y92-M96 WeakPolarHBondContact O-CG 3.48Å; Y92-M96 PolarHBondContact O-N 2.87Å; I93-M96 PolarHBondContact O-N 2.84Å; Q94-M96 PolarHBondContact O-N 3.18Å; M96-S99 PolarHBondContact O-N 3.31Å; M96-A100 WeakPolarHBondContact O-CB 3.26Å; M96-A100 PolarHBondContact O-N 2.91Å; M96-W349 HydrophobicContact CE-CB 3.43Å; M96-W349 VanDerWaalsContact CE-CB 3.43Å; M96-W349 HydrophobicContact CE-CD2 3.67Å; M96-W349 HydrophobicContact CE-CE3 3.74Å; M96-W349 HydrophobicContact CE-CG 3.56Å
97S84.5Confident80.3Confident39 Ų3957.6 Ų57.627%0.27332%0.315SS..Hα-helixtrans-68-42.2179.9-57.60000111.9W59 I93 Q94 A95 S99 A100 F101W59-S97 PolarHBondContact NE1-OG 2.96Å; I93-S97 VanDerWaalsContact O-CB 3.28Å; I93-S97 WeakPolarHBondContact O-CB 3.3Å; I93-S97 PolarHBondContact O-N 3.01Å; I93-S97 PolarHBondContact O-OG 3.42Å; Q94-S97 PolarHBondContact O-N 3.48Å; A95-S97 VanDerWaalsContact C-N 3.34Å; A95-S97 PolarHBondContact O-N 2.92Å; S97-S99 VanDerWaalsContact C-N 3.35Å; S97-A100 PolarHBondContact O-N 2.79Å; S97-F101 VanDerWaalsContact O-CB 3.32Å; S97-F101 WeakPolarHBondContact O-CB 3.49Å; S97-F101 PolarHBondContact O-N 3.49Å
98V80.3Confident81.9Confident78 Ų7857.6 Ų57.647%0.47332%0.318SS..Hα-helixtrans-62.7-43.51741720000110.6Q94 A95 F101 F102Q94-V98 WeakPolarHBondContact O-CG2 3.3Å; Q94-V98 PolarHBondContact O-N 3.32Å; A95-V98 PolarHBondContact O-N 2.82Å; V98-F101 PolarHBondContact O-N 3.4Å; V98-F102 HydrophobicContact CG1-CD2 3.73Å; V98-F102 HydrophobicContact CG1-CE2 3.32Å; V98-F102 HydrophobicContact CG1-CZ 4.26Å; V98-F102 WeakPolarHBondContact O-CD2 3.22Å; V98-F102 PolarHBondContact O-N 3.26Å
99S82.1Confident83.2Confident47 Ų4753.5 Ų53.533%0.32929%0.291SS..Hα-helixtrans-60.9-49.6175.3-179.80000112.2A95 M96 S97 F101 F102 H103A95-S99 WeakPolarHBondContact O-CB 3.49Å; A95-S99 PolarHBondContact O-N 2.96Å; M96-S99 PolarHBondContact O-N 3.31Å; S97-S99 VanDerWaalsContact C-N 3.35Å; S99-F101 VanDerWaalsContact C-N 3.3Å; S99-F101 PolarHBondContact O-N 2.83Å; S99-F102 PolarHBondContact O-N 3.37Å; S99-H103 PolarHBondContact O-CD2 3.4Å; S99-H103 PolarHBondContact O-N 3Å
100A86.8Confident84.3Confident3 Ų352.7 Ų52.73%0.02528%0.281CS..Hα-helixtrans-59.6-40.6177.400000111.8F56 W59 M96 S97 H103 F104F56-A100 HydrophobicContact CD1-CB 4.33Å; F56-A100 HydrophobicContact CE1-CB 4.12Å; F56-A100 WeakPolarHBondContact CE1-O 3.24Å; F56-A100 VanDerWaalsContact CZ-O 3.24Å; F56-A100 WeakPolarHBondContact CZ-O 3.34Å; W59-A100 HydrophobicContact CB-CB 3.88Å; W59-A100 HydrophobicContact CD2-CB 3.91Å; W59-A100 HydrophobicContact CE3-CB 4.4Å; W59-A100 HydrophobicContact CG-CB 3.65Å; M96-A100 WeakPolarHBondContact O-CB 3.26Å; M96-A100 PolarHBondContact O-N 2.91Å; S97-A100 PolarHBondContact O-N 2.79Å; A100-H103 PolarHBondContact O-N 2.89Å; A100-F104 WeakPolarHBondContact O-CB 3.13Å; A100-F104 PolarHBondContact O-N 3.45Å
101F87.9Confident85.3Confident98 Ų9851.8 Ų51.843%0.4328%0.278SS..Hα-helixtrans-61.8-44175176.9-102.1000112.4S97 V98 S99 F104 L105 L139S97-F101 VanDerWaalsContact O-CB 3.32Å; S97-F101 WeakPolarHBondContact O-CB 3.49Å; S97-F101 PolarHBondContact O-N 3.49Å; V98-F101 PolarHBondContact O-N 3.4Å; S99-F101 VanDerWaalsContact C-N 3.3Å; S99-F101 PolarHBondContact O-N 2.83Å; F101-F104 VanDerWaalsContact O-CB 3.28Å; F101-F104 WeakPolarHBondContact O-CB 3.34Å; F101-F104 PolarHBondContact O-N 3.38Å; F101-L105 HydrophobicContact CD1-CD1 4.12Å; F101-L105 HydrophobicContact CE1-CD1 3.45Å; F101-L105 VanDerWaalsContact CE1-CD1 3.45Å; F101-L105 HydrophobicContact CE1-CG 4.23Å; F101-L105 HydrophobicContact CE2-CD1 4.42Å; F101-L105 HydrophobicContact CE2-CG 4.45Å; F101-L105 HydrophobicContact CZ-CD1 3.63Å; F101-L105 HydrophobicContact CZ-CD2 4.36Å; F101-L105 HydrophobicContact CZ-CG 4.12Å; F101-L105 PolarHBondContact O-N 3.09Å; F101-L139 HydrophobicContact CE1-CD1 3.71Å; F101-L139 HydrophobicContact CZ-CD1 4.39Å
102F85.1Confident86.4Confident59 Ų5950.6 Ų50.626%0.25927%0.267SS..Hα-helixtrans-64.9-42.9175.4-72.9-52.8000112.3V98 S99 F104 L105 I106 V136 L139V98-F102 HydrophobicContact CG1-CD2 3.73Å; V98-F102 HydrophobicContact CG1-CE2 3.32Å; V98-F102 HydrophobicContact CG1-CZ 4.26Å; V98-F102 WeakPolarHBondContact O-CD2 3.22Å; V98-F102 PolarHBondContact O-N 3.26Å; S99-F102 PolarHBondContact O-N 3.37Å; F102-F104 PolarHBondContact O-N 3.32Å; F102-L105 PolarHBondContact O-N 3.27Å; F102-I106 VanDerWaalsContact O-CG1 3.29Å; F102-I106 WeakPolarHBondContact O-CG1 3.35Å; F102-I106 PolarHBondContact O-N 3.09Å; F102-V136 HydrophobicContact CD1-CB 4.24Å; F102-V136 HydrophobicContact CD1-CG1 3.68Å; F102-V136 HydrophobicContact CD1-CG2 3.92Å; F102-V136 HydrophobicContact CE1-CB 4.47Å; F102-V136 HydrophobicContact CE1-CG1 3.95Å; F102-L139 HydrophobicContact CE1-CB 4.31Å; F102-L139 HydrophobicContact CE1-CD1 4.35Å
103H88.7Confident87.5Confident33 Ų3347 Ų4715%0.15326%0.256CS..Hα-helixtrans-63.2-29.6173.9-72.3-58.2000112.5W51 F56 S99 A100 T107W51-H103 AromaticContact CH2-CE1 3.27Å; W51-H103 WeakPolarHBondContact CH2-CE1 3.37Å; W51-H103 AromaticContact CH2-ND1 3.29Å; W51-H103 VanDerWaalsContact CH2-ND1 3.29Å; W51-H103 WeakPolarHBondContact CH2-ND1 3.29Å; W51-H103 AromaticContact CZ3-CE1 3.16Å; W51-H103 WeakPolarHBondContact CZ3-CE1 3.48Å; W51-H103 AromaticContact CZ3-ND1 3.38Å; W51-H103 WeakPolarHBondContact CZ3-ND1 3.48Å; W51-H103 AromaticContact CZ3-NE2 3.95Å; F56-H103 HydrophobicContact CE2-CB 4.31Å; F56-H103 HydrophobicContact CZ-CB 4.4Å; S99-H103 PolarHBondContact O-CD2 3.4Å; S99-H103 PolarHBondContact O-N 3Å; A100-H103 PolarHBondContact O-N 2.89Å; H103-T107 WeakPolarHBondContact O-CB 3.15Å; H103-T107 PolarHBondContact O-N 3.21Å; H103-T107 PolarHBondContact O-OG1 3.03Å
104F91.6Very high88.1Confident110 Ų11046.4 Ų46.448%0.48225%0.253SS..Hα-helixtrans-64.5-52.6174.3-175.6-107.3000110.3F56 A100 F101 F102 I106 T107 C108F56-F104 HydrophobicContact CE1-CB 4.11Å; F56-F104 HydrophobicContact CE1-CD2 4.44Å; F56-F104 VanDerWaalsContact CZ-CA 3.48Å; F56-F104 HydrophobicContact CZ-CB 3.56Å; F56-F104 HydrophobicContact CZ-CD2 4.04Å; F56-F104 HydrophobicContact CZ-CG 4.3Å; A100-F104 WeakPolarHBondContact O-CB 3.13Å; A100-F104 PolarHBondContact O-N 3.45Å; F101-F104 VanDerWaalsContact O-CB 3.28Å; F101-F104 WeakPolarHBondContact O-CB 3.34Å; F101-F104 PolarHBondContact O-N 3.38Å; F102-F104 PolarHBondContact O-N 3.32Å; F104-I106 VanDerWaalsContact C-N 3.3Å; F104-I106 PolarHBondContact O-N 2.93Å; F104-T107 CarbonylContact O-C 3.43Å; F104-T107 WeakPolarHBondContact O-CA 3.36Å; F104-T107 WeakPolarHBondContact O-CB 3.04Å; F104-T107 PolarHBondContact O-N 3.46Å; F104-T107 VanDerWaalsContact O-N 3.08Å; F104-C108 VanDerWaalsContact CE1-SG 3.52Å; F104-C108 PolarHBondContact O-N 2.83Å; F104-C108 PolarHBondContact O-SG 2.81Å; F104-C108 VanDerWaalsContact O-SG 3.32Å
105L90.3Very high88.8Confident22 Ų2243.7 Ų43.712%0.11524%0.242CC..Hα-helixtrans-59-41.6178.4-67.9177.8000111.9F101 F102 C108 S109 P132 V135 V136F101-L105 HydrophobicContact CD1-CD1 4.12Å; F101-L105 HydrophobicContact CE1-CD1 3.45Å; F101-L105 VanDerWaalsContact CE1-CD1 3.45Å; F101-L105 HydrophobicContact CE1-CG 4.23Å; F101-L105 HydrophobicContact CE2-CD1 4.42Å; F101-L105 HydrophobicContact CE2-CG 4.45Å; F101-L105 HydrophobicContact CZ-CD1 3.63Å; F101-L105 HydrophobicContact CZ-CD2 4.36Å; F101-L105 HydrophobicContact CZ-CG 4.12Å; F101-L105 PolarHBondContact O-N 3.09Å; F102-L105 PolarHBondContact O-N 3.27Å; L105-C108 WeakPolarHBondContact O-CB 3.21Å; L105-C108 PolarHBondContact O-N 3.34Å; L105-S109 PolarHBondContact O-N 3.45Å; L105-S109 VanDerWaalsContact O-N 3.1Å; L105-P132 HydrophobicContact CB-CB 4.21Å; L105-P132 HydrophobicContact CD2-CB 4.25Å; L105-P132 VanDerWaalsContact O-CB 3.25Å; L105-P132 WeakPolarHBondContact O-CB 3.46Å; L105-V135 HydrophobicContact CD1-CG1 4.2Å; L105-V136 HydrophobicContact CB-CG2 3.65Å; L105-V136 HydrophobicContact CD1-CG2 3.63Å; L105-V136 HydrophobicContact CG-CG2 4.31Å
106I90.5Very high89.7Confident43 Ų4342.4 Ų42.422%0.22123%0.225CC..Hα-helixtrans-62.5-46.8174.7-62.2165.6000110.1K52 F102 F104 C108 S109 E110 L133K52-I106 VanDerWaalsContact CE-CG2 3.5Å; F102-I106 VanDerWaalsContact O-CG1 3.29Å; F102-I106 WeakPolarHBondContact O-CG1 3.35Å; F102-I106 PolarHBondContact O-N 3.09Å; F104-I106 VanDerWaalsContact C-N 3.3Å; F104-I106 PolarHBondContact O-N 2.93Å; I106-C108 VanDerWaalsContact C-N 3.31Å; I106-C108 PolarHBondContact O-N 2.91Å; I106-S109 PolarHBondContact O-N 3.26Å; I106-S109 VanDerWaalsContact O-N 3.16Å; I106-S109 PolarHBondContact O-OG 3.29Å; I106-E110 HydrophobicContact CG2-CG 4.48Å; I106-E110 WeakPolarHBondContact O-CG 3.41Å; I106-E110 PolarHBondContact O-N 3.41Å; I106-L133 HydrophobicContact CG1-CD2 4.2Å
107T93.5Very high90.3Very high29 Ų2943.7 Ų43.718%0.17823%0.232CC..Hα-helixtrans-58.6-42.6176.7-53.30000111.6K52 H103 F104 S109 E110 V111K52-T107 WeakPolarHBondContact CD-OG1 3.25Å; H103-T107 WeakPolarHBondContact O-CB 3.15Å; H103-T107 PolarHBondContact O-N 3.21Å; H103-T107 PolarHBondContact O-OG1 3.03Å; F104-T107 CarbonylContact O-C 3.43Å; F104-T107 WeakPolarHBondContact O-CA 3.36Å; F104-T107 WeakPolarHBondContact O-CB 3.04Å; F104-T107 PolarHBondContact O-N 3.46Å; F104-T107 VanDerWaalsContact O-N 3.08Å; T107-S109 VanDerWaalsContact C-N 3.33Å; T107-S109 PolarHBondContact O-N 3.41Å; T107-E110 PolarHBondContact O-N 3.43Å; T107-V111 HydrophobicContact CG2-CG2 4.2Å; T107-V111 VanDerWaalsContact O-CG2 3.32Å; T107-V111 WeakPolarHBondContact O-CG2 3.28Å; T107-V111 PolarHBondContact O-N 3.03Å
108C94.6Very high90.6Very high38 Ų3844.1 Ų44.126%0.25724%0.235SC..Hα-helixtrans-57.5-45.8176.3-70.20000111.5F104 L105 I106 E110 V111 L112 P132F104-C108 VanDerWaalsContact CE1-SG 3.52Å; F104-C108 PolarHBondContact O-N 2.83Å; F104-C108 PolarHBondContact O-SG 2.81Å; F104-C108 VanDerWaalsContact O-SG 3.32Å; L105-C108 WeakPolarHBondContact O-CB 3.21Å; L105-C108 PolarHBondContact O-N 3.34Å; I106-C108 VanDerWaalsContact C-N 3.31Å; I106-C108 PolarHBondContact O-N 2.91Å; C108-E110 VanDerWaalsContact C-N 3.35Å; C108-E110 PolarHBondContact O-N 3.41Å; C108-V111 PolarHBondContact O-N 3.33Å; C108-L112 WeakPolarHBondContact O-CB 3.28Å; C108-L112 VanDerWaalsContact O-CG 3.3Å; C108-L112 WeakPolarHBondContact O-CG 3.49Å; C108-L112 PolarHBondContact O-N 3.08Å; C108-P132 HydrophobicContact CB-CB 4.33Å; C108-P132 HydrophobicContact CB-CG 4.13Å
109S93.3Very high91Very high4 Ų444.1 Ų44.13%0.02823%0.231CC..Hα-helixtrans-64.3-38.1176.868.40000112.8L105 I106 T107 L112 L113 I129 L133L105-S109 PolarHBondContact O-N 3.45Å; L105-S109 VanDerWaalsContact O-N 3.1Å; I106-S109 PolarHBondContact O-N 3.26Å; I106-S109 VanDerWaalsContact O-N 3.16Å; I106-S109 PolarHBondContact O-OG 3.29Å; T107-S109 VanDerWaalsContact C-N 3.33Å; T107-S109 PolarHBondContact O-N 3.41Å; S109-L112 PolarHBondContact O-N 3.18Å; S109-L113 VanDerWaalsContact O-CB 3.29Å; S109-L113 WeakPolarHBondContact O-CB 3.37Å; S109-L113 PolarHBondContact O-N 2.98Å; S109-I129 WeakPolarHBondContact CB-O 3.29Å; S109-L133 WeakPolarHBondContact OG-CD1 3.44Å; S109-L133 WeakPolarHBondContact OG-CG 3.28Å
110E94.2Very high90.9Very high22 Ų2251.5 Ų51.510%0.10326%0.261CS..Hα-helixtrans-67.5-39.7177-70.2171175.100112.1F45 K52 I106 T107 C108 L113 C114F45-E110 HydrophobicContact CD1-CB 4.21Å; F45-E110 HydrophobicContact CE1-CB 4.38Å; K52-E110 WeakPolarHBondContact CE-OE1 3.43Å; K52-E110 IonicContact NZ-OE1 3.45Å; K52-E110 PolarHBondContact NZ-OE1 3.28Å; K52-E110 IonicContact NZ-OE2 2.74Å; K52-E110 PolarHBondContact NZ-OE2 3.14Å; I106-E110 HydrophobicContact CG2-CG 4.48Å; I106-E110 WeakPolarHBondContact O-CG 3.41Å; I106-E110 PolarHBondContact O-N 3.41Å; T107-E110 PolarHBondContact O-N 3.43Å; C108-E110 VanDerWaalsContact C-N 3.35Å; C108-E110 PolarHBondContact O-N 3.41Å; E110-L113 PolarHBondContact O-N 3.37Å; E110-C114 VanDerWaalsContact O-CB 3.3Å; E110-C114 WeakPolarHBondContact O-CB 3.43Å; E110-C114 PolarHBondContact O-N 2.97Å
111V94.8Very high90.6Very high48 Ų4856 Ų5629%0.29129%0.292SS..Hα-helixtrans-66.7-45.4176.2171.40000110.4W49 T107 C108 L113 C114 I115W49-V111 HydrophobicContact CZ2-CG2 4.18Å; T107-V111 HydrophobicContact CG2-CG2 4.2Å; T107-V111 VanDerWaalsContact O-CG2 3.32Å; T107-V111 WeakPolarHBondContact O-CG2 3.28Å; T107-V111 PolarHBondContact O-N 3.03Å; C108-V111 PolarHBondContact O-N 3.33Å; V111-L113 VanDerWaalsContact C-N 3.3Å; V111-L113 PolarHBondContact O-N 3.01Å; V111-C114 PolarHBondContact O-N 2.88Å; V111-I115 HydrophobicContact CG1-CD1 3.92Å; V111-I115 HydrophobicContact CG1-CG1 4.48Å; V111-I115 VanDerWaalsContact O-CG1 3.3Å; V111-I115 WeakPolarHBondContact O-CG1 3.25Å; V111-I115 PolarHBondContact O-N 3.09Å
112L94.3Very high90.1Very high48 Ų4852.4 Ų52.425%0.25128%0.279SS..Hα-helixtrans-60.1-41.4175-71.1172.2000111.5C108 S109 I115 H116 I129 P132C108-L112 WeakPolarHBondContact O-CB 3.28Å; C108-L112 VanDerWaalsContact O-CG 3.3Å; C108-L112 WeakPolarHBondContact O-CG 3.49Å; C108-L112 PolarHBondContact O-N 3.08Å; S109-L112 PolarHBondContact O-N 3.18Å; L112-I115 PolarHBondContact O-N 3.14Å; L112-H116 WeakPolarHBondContact O-CB 3.37Å; L112-H116 PolarHBondContact O-N 3.49Å; L112-I129 HydrophobicContact CB-CB 4.35Å; L112-I129 HydrophobicContact CB-CG1 4.34Å; L112-I129 HydrophobicContact CB-CG2 4.04Å; L112-P132 HydrophobicContact CD1-CG 4.33Å
113L93.3Very high90Very high47 Ų4757.5 Ų57.525%0.24631%0.309CS..Hα-helixtrans-65.2-42.6175.7-177.762.4000111.6F45 S109 E110 V111 H116 L117 Y126 I129F45-L113 HydrophobicContact CE1-CD2 4.15Å; F45-L113 HydrophobicContact CZ-CD2 3.81Å; F45-L113 HydrophobicContact CZ-CG 4.02Å; S109-L113 VanDerWaalsContact O-CB 3.29Å; S109-L113 WeakPolarHBondContact O-CB 3.37Å; S109-L113 PolarHBondContact O-N 2.98Å; E110-L113 PolarHBondContact O-N 3.37Å; V111-L113 VanDerWaalsContact C-N 3.3Å; V111-L113 PolarHBondContact O-N 3.01Å; L113-H116 PolarHBondContact O-N 3.43Å; L113-L117 HydrophobicContact CD1-CD1 4.16Å; L113-L117 HydrophobicContact CD1-CG 4.3Å; L113-L117 HydrophobicContact CG-CD1 4Å; L113-L117 WeakPolarHBondContact O-CB 3.34Å; L113-L117 VanDerWaalsContact O-CG 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.32Å; L113-L117 PolarHBondContact O-N 3.38Å; L113-Y126 HydrophobicContact CD1-CE1 4.49Å; L113-I129 HydrophobicContact CB-CG2 3.81Å; L113-I129 HydrophobicContact CD1-CG2 4.25Å
114C94Very high90Very high0 Ų058.8 Ų58.80%032%0.317CS..Hα-helixtrans-64-40.8176.8-175.60000111.9F45 W49 E110 V111 L117 S118F45-C114 HydrophobicContact CD2-CB 3.86Å; F45-C114 HydrophobicContact CE2-CB 4.11Å; F45-C114 HydrophobicContact CG-CB 4.29Å; W49-C114 HydrophobicContact CH2-CB 4.47Å; W49-C114 HydrophobicContact CZ2-CB 4.19Å; E110-C114 VanDerWaalsContact O-CB 3.3Å; E110-C114 WeakPolarHBondContact O-CB 3.43Å; E110-C114 PolarHBondContact O-N 2.97Å; V111-C114 PolarHBondContact O-N 2.88Å; C114-L117 PolarHBondContact O-N 2.86Å; C114-S118 VanDerWaalsContact O-CB 3.26Å; C114-S118 WeakPolarHBondContact O-CB 3.46Å; C114-S118 PolarHBondContact O-N 3.35Å; C114-S118 PolarHBondContact O-OG 2.96Å
115I93.4Very high90Very high52 Ų5256.6 Ų56.627%0.26731%0.312SS..Hα-helixtrans-61.5-48.3174.1-70.1167.2000109.6W42 V111 L112 L117 S118 I119W42-I115 HydrophobicContact CH2-CG1 4.46Å; W42-I115 HydrophobicContact CZ2-CG1 4.32Å; V111-I115 HydrophobicContact CG1-CD1 3.92Å; V111-I115 HydrophobicContact CG1-CG1 4.48Å; V111-I115 VanDerWaalsContact O-CG1 3.3Å; V111-I115 WeakPolarHBondContact O-CG1 3.25Å; V111-I115 PolarHBondContact O-N 3.09Å; L112-I115 PolarHBondContact O-N 3.14Å; I115-L117 VanDerWaalsContact C-N 3.34Å; I115-L117 PolarHBondContact O-N 3.34Å; I115-S118 WeakPolarHBondContact CA-OG 3.34Å; I115-S118 PolarHBondContact O-N 2.91Å; I115-S118 PolarHBondContact O-OG 3.37Å; I115-S118 VanDerWaalsContact O-OG 3.1Å; I115-I119 HydrophobicContact CG2-CD1 4.17Å; I115-I119 PolarHBondContact O-N 2.94Å
116H92.2Very high90.1Very high36 Ų3658.4 Ų58.417%0.16732%0.318CS..Hα-helixtrans-60.6-42.6-179.8-178.860.8000112.8L112 L113 S122 Y126 I129L112-H116 WeakPolarHBondContact O-CB 3.37Å; L112-H116 PolarHBondContact O-N 3.49Å; L113-H116 PolarHBondContact O-N 3.43Å; H116-S122 WeakPolarHBondContact CA-OG 3.21Å; H116-S122 PolarHBondContact ND1-OG 3.01Å; H116-S122 PolarHBondContact O-OG 3.3Å; H116-Y126 AromaticContact CD2-CE1 3.9Å; H116-Y126 AromaticContact CD2-CZ 3.95Å; H116-Y126 AromaticContact NE2-CE1 3.98Å; H116-Y126 AromaticContact NE2-CZ 3.56Å; H116-Y126 PolarHBondContact NE2-OH 2.99Å; H116-I129 HydrophobicContact CB-CD1 3.51Å; H116-I129 HydrophobicContact CB-CG1 4.46Å; H116-I129 VanDerWaalsContact CG-CD1 3.46Å
117L90.9Very high90.2Very high61 Ų6159.3 Ų59.332%0.31932%0.323SS..Hα-helixtrans-72.8-26.3178.2-69.4172.3000113.6Y41 F45 L113 C114 I115Y41-L117 HydrophobicContact CD1-CB 4.05Å; Y41-L117 HydrophobicContact CD1-CD1 4.05Å; Y41-L117 HydrophobicContact CD2-CB 3.75Å; Y41-L117 VanDerWaalsContact CD2-O 3.24Å; Y41-L117 WeakPolarHBondContact CD2-O 3.48Å; Y41-L117 HydrophobicContact CE1-CB 4.19Å; Y41-L117 HydrophobicContact CE1-CD1 4.14Å; Y41-L117 HydrophobicContact CE2-CB 3.89Å; Y41-L117 WeakPolarHBondContact CE2-O 3.37Å; Y41-L117 HydrophobicContact CG-CB 3.84Å; F45-L117 HydrophobicContact CE2-CD1 4.07Å; F45-L117 HydrophobicContact CZ-CD1 4.25Å; L113-L117 HydrophobicContact CD1-CD1 4.16Å; L113-L117 HydrophobicContact CD1-CG 4.3Å; L113-L117 HydrophobicContact CG-CD1 4Å; L113-L117 WeakPolarHBondContact O-CB 3.34Å; L113-L117 VanDerWaalsContact O-CG 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.32Å; L113-L117 PolarHBondContact O-N 3.38Å; C114-L117 PolarHBondContact O-N 2.86Å; I115-L117 VanDerWaalsContact C-N 3.34Å; I115-L117 PolarHBondContact O-N 3.34Å
118S90.9Very high90.2Very high48 Ų4861.1 Ų61.134%0.33633%0.334SS..Hα-helixtrans-88.5-26.9-178.959.20000113.8C114 I115C114-S118 VanDerWaalsContact O-CB 3.26Å; C114-S118 WeakPolarHBondContact O-CB 3.46Å; C114-S118 PolarHBondContact O-N 3.35Å; C114-S118 PolarHBondContact O-OG 2.96Å; I115-S118 WeakPolarHBondContact CA-OG 3.34Å; I115-S118 PolarHBondContact O-N 2.91Å; I115-S118 PolarHBondContact O-OG 3.37Å; I115-S118 VanDerWaalsContact O-OG 3.1Å
119I89.8Confident90.2Very high78 Ų7859.3 Ų59.340%0.432%0.322SS..  trans-116.5102.4-177.5-55.7178.5000108.9I115 S121 S122I115-I119 HydrophobicContact CG2-CD1 4.17Å; I115-I119 PolarHBondContact O-N 2.94Å; I119-S121 VanDerWaalsContact CG2-OG 3.22Å; I119-S121 WeakPolarHBondContact CG2-OG 3.34Å; I119-S121 PolarHBondContact O-N 2.94Å; I119-S121 VanDerWaalsContact O-N 3.16Å; I119-S122 WeakPolarHBondContact O-CB 3.32Å; I119-S122 PolarHBondContact O-N 2.88Å; I119-S122 VanDerWaalsContact O-N 3.09Å; I119-S122 PolarHBondContact O-OG 2.88Å
120E79.3Confident90.2Very high203 Ų20360 Ų6095%0.94933%0.325SS*.THydrogen-bonded Turntrans-59.7-25.8179.8-170.6172.3-172.700113.1S122E120-S122 VanDerWaalsContact C-N 3.3Å; E120-S122 PolarHBondContact O-N 3.35Å
121S79.2Confident90.1Very high97 Ų9761.3 Ų61.368%0.67834%0.336SS*.THydrogen-bonded Turntrans-83.74.7178.360.10000115I119 N123I119-S121 VanDerWaalsContact CG2-OG 3.22Å; I119-S121 WeakPolarHBondContact CG2-OG 3.34Å; I119-S121 PolarHBondContact O-N 2.94Å; I119-S121 VanDerWaalsContact O-N 3.16Å; S121-N123 PolarHBondContact O-N 3.44Å
122S77.5Confident90Very high22 Ų2259.7 Ų59.715%0.15433%0.327CS..  trans-76.9106.9-178.463.60000111.4H116 I119 E120 L124H116-S122 WeakPolarHBondContact CA-OG 3.21Å; H116-S122 PolarHBondContact ND1-OG 3.01Å; H116-S122 PolarHBondContact O-OG 3.3Å; I119-S122 WeakPolarHBondContact O-CB 3.32Å; I119-S122 PolarHBondContact O-N 2.88Å; I119-S122 VanDerWaalsContact O-N 3.09Å; I119-S122 PolarHBondContact O-OG 2.88Å; E120-S122 VanDerWaalsContact C-N 3.3Å; E120-S122 PolarHBondContact O-N 3.35Å; S122-L124 PolarHBondContact O-N 3.17Å
123N84.7Confident89.9Confident166 Ų16659.7 Ų59.789%0.88833%0.327SS*.  trans-74.329.5173.8-67.7-34.8000113.3S121S121-N123 PolarHBondContact O-N 3.44Å
124L88Confident89.8Confident61 Ų6159 Ų5932%0.31932%0.323SS..  trans-79.8126.9179.5-66.6175000109.6S122 T128 I129S122-L124 PolarHBondContact O-N 3.17Å; L124-T128 HydrophobicContact CD2-CG2 4.47Å; L124-I129 HydrophobicContact CB-CD1 4.16Å; L124-I129 HydrophobicContact CB-CG1 4.17Å
125T92.2Very high89.7Confident64 Ų6462.2 Ų62.239%0.39334%0.343SS..  trans-74.1150.1171.462.80000110.4L127 T128 I129T125-L127 PolarHBondContact O-N 3.45Å; T125-T128 WeakPolarHBondContact O-CB 3.33Å; T125-T128 PolarHBondContact O-N 3.32Å; T125-T128 PolarHBondContact OG1-N 3.03Å; T125-T128 PolarHBondContact OG1-OG1 3.48Å; T125-T128 VanDerWaalsContact OG1-OG1 3.1Å; T125-I129 WeakPolarHBondContact O-CG1 3.15Å; T125-I129 PolarHBondContact O-N 2.87Å; T125-I129 VanDerWaalsContact O-N 3.1Å
126Y92.1Very high89.4Confident59 Ų5961.3 Ų61.323%0.23134%0.34CS..Hα-helixtrans-63.7-28.6175.9-72.1-80.7000111.8L113 H116 T128 I129 L130 L237 D238L113-Y126 HydrophobicContact CD1-CE1 4.49Å; H116-Y126 AromaticContact CD2-CE1 3.9Å; H116-Y126 AromaticContact CD2-CZ 3.95Å; H116-Y126 AromaticContact NE2-CE1 3.98Å; H116-Y126 AromaticContact NE2-CZ 3.56Å; H116-Y126 PolarHBondContact NE2-OH 2.99Å; Y126-T128 VanDerWaalsContact C-N 3.34Å; Y126-T128 PolarHBondContact O-N 3.34Å; Y126-I129 HydrophobicContact CD1-CD1 4.18Å; Y126-I129 PolarHBondContact O-N 3.38Å; Y126-L130 VanDerWaalsContact O-CB 3.3Å; Y126-L130 WeakPolarHBondContact O-CB 3.41Å; Y126-L130 WeakPolarHBondContact O-CG 3.32Å; Y126-L130 PolarHBondContact O-N 3.01Å; Y126-L237 HydrophobicContact CD1-CB 4.16Å; Y126-L237 HydrophobicContact CD1-CD1 3.86Å; Y126-L237 HydrophobicContact CD1-CG 4.45Å; Y126-L237 HydrophobicContact CD2-CB 3.58Å; Y126-L237 HydrophobicContact CE1-CD1 4.31Å; Y126-L237 HydrophobicContact CE1-CD2 4.37Å; Y126-L237 HydrophobicContact CE2-CB 4.07Å; Y126-L237 HydrophobicContact CE2-CD2 4.46Å; Y126-L237 HydrophobicContact CG-CB 3.6Å; Y126-L237 HydrophobicContact CG-CD1 4.09Å; Y126-L237 HydrophobicContact CG-CG 4.37Å; Y126-D238 WeakPolarHBondContact CB-OD1 3.45Å; Y126-D238 WeakPolarHBondContact CD2-OD1 3.39Å; Y126-D238 PolarHBondContact N-OD1 3.31Å; Y126-D238 PolarHBondContact N-OD2 2.66Å
127L93.1Very high89Confident63 Ų6360.3 Ų60.333%0.3334%0.339SS..Hα-helixtrans-54.4-48.4167.7-178.271.8000111.9T125 S131 L134 I234 D238 W240T125-L127 PolarHBondContact O-N 3.45Å; L127-S131 WeakPolarHBondContact O-CA 3.49Å; L127-S131 VanDerWaalsContact O-CB 3.3Å; L127-S131 WeakPolarHBondContact O-CB 3.41Å; L127-S131 PolarHBondContact O-N 3.35Å; L127-L134 HydrophobicContact CD1-CD1 3.91Å; L127-I234 HydrophobicContact CB-CG2 3.9Å; L127-I234 HydrophobicContact CD1-CD1 4.47Å; L127-I234 HydrophobicContact CD1-CG2 3.93Å; L127-D238 WeakPolarHBondContact CB-OD2 3.29Å; L127-D238 PolarHBondContact N-OD2 3.2Å; L127-W240 HydrophobicContact CD1-CH2 4.24Å; L127-W240 HydrophobicContact CD2-CH2 3.89Å; L127-W240 HydrophobicContact CD2-CZ2 4.21Å; L127-W240 HydrophobicContact CG-CH2 4.47Å
128T93Very high89Confident66 Ų6659.9 Ų59.941%0.40534%0.344SS..Hα-helixtrans-65.3-44178.2-58.80000111L124 T125 Y126 L130 S131L124-T128 HydrophobicContact CD2-CG2 4.47Å; T125-T128 WeakPolarHBondContact O-CB 3.33Å; T125-T128 PolarHBondContact O-N 3.32Å; T125-T128 PolarHBondContact OG1-N 3.03Å; T125-T128 PolarHBondContact OG1-OG1 3.48Å; T125-T128 VanDerWaalsContact OG1-OG1 3.1Å; Y126-T128 VanDerWaalsContact C-N 3.34Å; Y126-T128 PolarHBondContact O-N 3.34Å; T128-L130 PolarHBondContact O-N 3.17Å; T128-S131 WeakPolarHBondContact O-CB 3.31Å; T128-S131 PolarHBondContact O-N 3.28Å; T128-S131 PolarHBondContact O-OG 2.9Å
129I93.9Very high88.7Confident1 Ų160.9 Ų60.91%0.00535%0.346CS..Hα-helixtrans-61.8-43.5-179-65.4165.4000111.3S109 L112 L113 H116 L124 T125 Y126 P132S109-I129 WeakPolarHBondContact CB-O 3.29Å; L112-I129 HydrophobicContact CB-CB 4.35Å; L112-I129 HydrophobicContact CB-CG1 4.34Å; L112-I129 HydrophobicContact CB-CG2 4.04Å; L113-I129 HydrophobicContact CB-CG2 3.81Å; L113-I129 HydrophobicContact CD1-CG2 4.25Å; H116-I129 HydrophobicContact CB-CD1 3.51Å; H116-I129 HydrophobicContact CB-CG1 4.46Å; H116-I129 VanDerWaalsContact CG-CD1 3.46Å; L124-I129 HydrophobicContact CB-CD1 4.16Å; L124-I129 HydrophobicContact CB-CG1 4.17Å; T125-I129 WeakPolarHBondContact O-CG1 3.15Å; T125-I129 PolarHBondContact O-N 2.87Å; T125-I129 VanDerWaalsContact O-N 3.1Å; Y126-I129 HydrophobicContact CD1-CD1 4.18Å; Y126-I129 PolarHBondContact O-N 3.38Å; I129-P132 WeakPolarHBondContact O-CD 3.32Å
130L93.8Very high88.3Confident18 Ų1858.1 Ų58.19%0.09434%0.336CS..Hα-helixtrans-93.30.6-177.2-63175.4000113.2Y126 T128 P132 L133 L134 L230 L233 I234 L237Y126-L130 VanDerWaalsContact O-CB 3.3Å; Y126-L130 WeakPolarHBondContact O-CB 3.41Å; Y126-L130 WeakPolarHBondContact O-CG 3.32Å; Y126-L130 PolarHBondContact O-N 3.01Å; T128-L130 PolarHBondContact O-N 3.17Å; L130-P132 VanDerWaalsContact C-N 3.34Å; L130-L133 HydrophobicContact CD2-CD1 3.55Å; L130-L133 WeakPolarHBondContact O-CB 3.41Å; L130-L133 PolarHBondContact O-N 3.37Å; L130-L134 PolarHBondContact O-N 2.99Å; L130-L230 HydrophobicContact CB-CD1 4.18Å; L130-L230 HydrophobicContact CD1-CD1 4.02Å; L130-L230 HydrophobicContact CD2-CD1 4.41Å; L130-L230 HydrophobicContact CG-CD1 4.43Å; L130-L233 HydrophobicContact CD1-CD2 4.38Å; L130-I234 HydrophobicContact CB-CD1 3.76Å; L130-I234 HydrophobicContact CB-CG1 3.87Å; L130-I234 HydrophobicContact CD1-CD1 4.29Å; L130-I234 HydrophobicContact CD1-CG1 3.51Å; L130-I234 HydrophobicContact CG-CG1 4.29Å; L130-L237 HydrophobicContact CD1-CD1 4.2Å
131S92.9Very high88.6Confident49 Ų4950.7 Ų50.734%0.34331%0.305SS..Hα-helixtrans-55.1-38.8177.468.20000113.9L127 T128 L133 L134 V135L127-S131 WeakPolarHBondContact O-CA 3.49Å; L127-S131 VanDerWaalsContact O-CB 3.3Å; L127-S131 WeakPolarHBondContact O-CB 3.41Å; L127-S131 PolarHBondContact O-N 3.35Å; T128-S131 WeakPolarHBondContact O-CB 3.31Å; T128-S131 PolarHBondContact O-N 3.28Å; T128-S131 PolarHBondContact O-OG 2.9Å; S131-L133 VanDerWaalsContact C-N 3.29Å; S131-L133 PolarHBondContact O-N 3.06Å; S131-L134 WeakPolarHBondContact O-CB 3.24Å; S131-L134 PolarHBondContact O-N 2.7Å; S131-V135 WeakPolarHBondContact O-CG2 3.39Å; S131-V135 PolarHBondContact O-N 3.32Å
132P92.6Very high88.9Confident14 Ų1452.7 Ų52.79%0.09130%0.302CS..Hα-helixtrans-63.2-36.9176.8-2236.3000112.1L105 C108 L112 I129 L130 V135 V136L105-P132 HydrophobicContact CB-CB 4.21Å; L105-P132 HydrophobicContact CD2-CB 4.25Å; L105-P132 VanDerWaalsContact O-CB 3.25Å; L105-P132 WeakPolarHBondContact O-CB 3.46Å; C108-P132 HydrophobicContact CB-CB 4.33Å; C108-P132 HydrophobicContact CB-CG 4.13Å; L112-P132 HydrophobicContact CD1-CG 4.33Å; I129-P132 WeakPolarHBondContact O-CD 3.32Å; L130-P132 VanDerWaalsContact C-N 3.34Å; P132-V135 WeakPolarHBondContact O-CB 3.37Å; P132-V135 PolarHBondContact O-N 2.62Å; P132-V136 WeakPolarHBondContact O-CG2 3.43Å; P132-V136 PolarHBondContact O-N 3.37Å
133L90.3Very high89Confident49 Ų4953.1 Ų53.126%0.25731%0.31SS..Hα-helixtrans-69.3-35.8176.3-74.9152.4000111.9I106 S109 L130 S131 V135 V136 G137 L230I106-L133 HydrophobicContact CG1-CD2 4.2Å; S109-L133 WeakPolarHBondContact OG-CD1 3.44Å; S109-L133 WeakPolarHBondContact OG-CG 3.28Å; L130-L133 HydrophobicContact CD2-CD1 3.55Å; L130-L133 WeakPolarHBondContact O-CB 3.41Å; L130-L133 PolarHBondContact O-N 3.37Å; S131-L133 VanDerWaalsContact C-N 3.29Å; S131-L133 PolarHBondContact O-N 3.06Å; L133-V135 VanDerWaalsContact C-N 3.29Å; L133-V135 PolarHBondContact O-N 3.08Å; L133-V136 WeakPolarHBondContact O-CB 3.4Å; L133-V136 PolarHBondContact O-N 2.73Å; L133-G137 PolarHBondContact O-N 3.18Å; L133-L230 VanDerWaalsContact C-CD2 3.48Å; L133-L230 HydrophobicContact CB-CD1 4.42Å; L133-L230 HydrophobicContact CB-CD2 3.53Å
134L92.3Very high88.6Confident31 Ų3146.5 Ų46.516%0.16227%0.273CS..Hα-helixtrans-61.7-40.4172.1-75.4173.3000111L127 L130 S131 G137 A138 L227 L230 L231 I234L127-L134 HydrophobicContact CD1-CD1 3.91Å; L130-L134 PolarHBondContact O-N 2.99Å; S131-L134 WeakPolarHBondContact O-CB 3.24Å; S131-L134 PolarHBondContact O-N 2.7Å; L134-G137 PolarHBondContact O-N 3.36Å; L134-A138 WeakPolarHBondContact O-CB 3.4Å; L134-A138 PolarHBondContact O-N 2.94Å; L134-L227 HydrophobicContact CD2-CD1 3.9Å; L134-L230 HydrophobicContact CB-CD2 4.38Å; L134-L230 HydrophobicContact CD2-CD2 3.71Å; L134-L230 HydrophobicContact CD2-CG 3.97Å; L134-L230 HydrophobicContact CG-CD2 3.82Å; L134-L230 HydrophobicContact CG-CG 4.31Å; L134-L231 HydrophobicContact CD2-CD2 3.64Å; L134-L231 HydrophobicContact CD2-CG 4Å; L134-I234 HydrophobicContact CD1-CD1 3.54Å; L134-I234 HydrophobicContact CD2-CD1 4.01Å; L134-I234 HydrophobicContact CG-CD1 3.77Å
135V91.2Very high88.4Confident68 Ų6847.3 Ų47.341%0.41228%0.277SS..Hα-helixtrans-62.8-42.4174.1174.80000110.9L105 S131 P132 L133 G137 A138 L139L105-V135 HydrophobicContact CD1-CG1 4.2Å; S131-V135 WeakPolarHBondContact O-CG2 3.39Å; S131-V135 PolarHBondContact O-N 3.32Å; P132-V135 WeakPolarHBondContact O-CB 3.37Å; P132-V135 PolarHBondContact O-N 2.62Å; L133-V135 VanDerWaalsContact C-N 3.29Å; L133-V135 PolarHBondContact O-N 3.08Å; V135-G137 PolarHBondContact O-N 2.97Å; V135-A138 PolarHBondContact O-N 2.98Å; V135-L139 HydrophobicContact CG1-CD1 3.79Å; V135-L139 HydrophobicContact CG1-CG 4.12Å; V135-L139 WeakPolarHBondContact O-CB 3.33Å; V135-L139 VanDerWaalsContact O-CG 3.23Å; V135-L139 WeakPolarHBondContact O-CG 3.41Å; V135-L139 PolarHBondContact O-N 3.42Å
136V86.6Confident87.9Confident33 Ų3350.4 Ų50.420%0.229%0.286CS..Hα-helixtrans-57.1-48.6173.9176.30000111.2F102 L105 P132 L133 L139 G140F102-V136 HydrophobicContact CD1-CB 4.24Å; F102-V136 HydrophobicContact CD1-CG1 3.68Å; F102-V136 HydrophobicContact CD1-CG2 3.92Å; F102-V136 HydrophobicContact CE1-CB 4.47Å; F102-V136 HydrophobicContact CE1-CG1 3.95Å; L105-V136 HydrophobicContact CB-CG2 3.65Å; L105-V136 HydrophobicContact CD1-CG2 3.63Å; L105-V136 HydrophobicContact CG-CG2 4.31Å; P132-V136 WeakPolarHBondContact O-CG2 3.43Å; P132-V136 PolarHBondContact O-N 3.37Å; L133-V136 WeakPolarHBondContact O-CB 3.4Å; L133-V136 PolarHBondContact O-N 2.73Å; V136-L139 PolarHBondContact O-N 3Å; V136-G140 PolarHBondContact O-N 2.9Å
137G85.9Confident87.1Confident15 Ų1550.3 Ų50.316%0.15529%0.291CS..Hα-helixtrans-63-43.9178.500000112.8L133 L134 V135 G140 V141L133-G137 PolarHBondContact O-N 3.18Å; L134-G137 PolarHBondContact O-N 3.36Å; V135-G137 PolarHBondContact O-N 2.97Å; G137-G140 PolarHBondContact O-N 3.23Å; G137-V141 WeakPolarHBondContact O-CG2 3.3Å; G137-V141 PolarHBondContact O-N 3.19Å
138A89.1Confident86.2Confident52 Ų5249.8 Ų49.843%0.4329%0.287SS..Hα-helixtrans-64.6-41.9177.600000112.5L134 V135 G140 V141 F142L134-A138 WeakPolarHBondContact O-CB 3.4Å; L134-A138 PolarHBondContact O-N 2.94Å; V135-A138 PolarHBondContact O-N 2.98Å; A138-G140 VanDerWaalsContact C-N 3.29Å; A138-G140 PolarHBondContact O-N 3.43Å; A138-V141 PolarHBondContact O-N 2.85Å; A138-F142 WeakPolarHBondContact O-CB 3.26Å; A138-F142 PolarHBondContact O-N 2.88Å
139L85.7Confident85.7Confident69 Ų6952 Ų5236%0.36130%0.296SS..Hα-helixtrans-64.5-35.3173.6-71.8175.3000111.7F101 F102 V135 V136 F142 G143F101-L139 HydrophobicContact CE1-CD1 3.71Å; F101-L139 HydrophobicContact CZ-CD1 4.39Å; F102-L139 HydrophobicContact CE1-CB 4.31Å; F102-L139 HydrophobicContact CE1-CD1 4.35Å; V135-L139 HydrophobicContact CG1-CD1 3.79Å; V135-L139 HydrophobicContact CG1-CG 4.12Å; V135-L139 WeakPolarHBondContact O-CB 3.33Å; V135-L139 VanDerWaalsContact O-CG 3.23Å; V135-L139 WeakPolarHBondContact O-CG 3.41Å; V135-L139 PolarHBondContact O-N 3.42Å; V136-L139 PolarHBondContact O-N 3Å; L139-F142 PolarHBondContact O-N 3.4Å; L139-G143 PolarHBondContact O-N 2.97Å
140G80.1Confident85Confident20 Ų2056.2 Ų56.221%0.20632%0.318CS..Hα-helixtrans-60.2-48.6171.800000112.2V136 G137 A138 F144V136-G140 PolarHBondContact O-N 2.9Å; G137-G140 PolarHBondContact O-N 3.23Å; A138-G140 VanDerWaalsContact C-N 3.29Å; A138-G140 PolarHBondContact O-N 3.43Å; G140-F144 VanDerWaalsContact O-CB 3.28Å; G140-F144 WeakPolarHBondContact O-CB 3.49Å; G140-F144 PolarHBondContact O-N 3.31Å
141V85.7Confident84Confident48 Ų4857.6 Ų57.629%0.29133%0.33SS..Hα-helixtrans-63.3-43.9176.3176.20000111.1G137 A138 F144 L145 I223 L227G137-V141 WeakPolarHBondContact O-CG2 3.3Å; G137-V141 PolarHBondContact O-N 3.19Å; A138-V141 PolarHBondContact O-N 2.85Å; V141-F144 WeakPolarHBondContact O-CB 3.27Å; V141-F144 PolarHBondContact O-N 3.46Å; V141-L145 HydrophobicContact CG1-CD1 4.15Å; V141-L145 HydrophobicContact CG1-CG 4.41Å; V141-L145 WeakPolarHBondContact O-CG 3.33Å; V141-L145 PolarHBondContact O-N 3.47Å; V141-I223 HydrophobicContact CG2-CG2 3.62Å; V141-L227 HydrophobicContact CG2-CD2 4.12Å
142F86.6Confident83Confident138 Ų13863.1 Ų63.161%0.60534%0.343SS*.Hα-helixtrans-64.1-46.6178.8-177.8-94.2000112A138 L139 F144 L145 F146A138-F142 WeakPolarHBondContact O-CB 3.26Å; A138-F142 PolarHBondContact O-N 2.88Å; L139-F142 PolarHBondContact O-N 3.4Å; F142-F144 VanDerWaalsContact C-N 3.27Å; F142-F144 PolarHBondContact O-N 3.4Å; F142-L145 PolarHBondContact O-N 2.96Å; F142-F146 WeakPolarHBondContact O-CB 3.15Å; F142-F146 PolarHBondContact O-N 2.94Å
143G78.7Confident81.9Confident32 Ų3264.9 Ų64.933%0.3336%0.358SS..Hα-helixtrans-60.6-39.217600000111.8L139 F146 V147L139-G143 PolarHBondContact O-N 2.97Å; G143-F146 PolarHBondContact O-N 3.32Å; G143-V147 WeakPolarHBondContact O-CG2 3.45Å; G143-V147 PolarHBondContact O-N 3.3Å
144F76Confident80.7Confident26 Ų2665.6 Ų65.611%0.11437%0.365CS..Hα-helixtrans-63.7-49.5173.4169.3-104.4000112.6G140 V141 F142 F146 V147 M148 C215 E220G140-F144 VanDerWaalsContact O-CB 3.28Å; G140-F144 WeakPolarHBondContact O-CB 3.49Å; G140-F144 PolarHBondContact O-N 3.31Å; V141-F144 WeakPolarHBondContact O-CB 3.27Å; V141-F144 PolarHBondContact O-N 3.46Å; F142-F144 VanDerWaalsContact C-N 3.27Å; F142-F144 PolarHBondContact O-N 3.4Å; F144-F146 VanDerWaalsContact C-N 3.27Å; F144-F146 PolarHBondContact O-N 2.97Å; F144-V147 PolarHBondContact O-N 3.32Å; F144-M148 HydrophobicContact CD1-CE 4.45Å; F144-M148 HydrophobicContact CE1-CE 3.32Å; F144-M148 HydrophobicContact CE2-CE 4.32Å; F144-M148 HydrophobicContact CZ-CE 3.21Å; F144-M148 PolarHBondContact O-N 2.82Å; F144-C215 WeakPolarHBondContact CD2-SG 3.08Å; F144-C215 HydrophobicContact CE2-CB 4.06Å; F144-C215 WeakPolarHBondContact CE2-SG 3.49Å; F144-E220 HydrophobicContact CD2-CG 4.13Å; F144-E220 HydrophobicContact CE1-CB 4.3Å; F144-E220 HydrophobicContact CE1-CG 4.05Å; F144-E220 HydrophobicContact CE2-CB 4.33Å; F144-E220 VanDerWaalsContact CE2-CD 3.47Å; F144-E220 HydrophobicContact CE2-CG 3.36Å; F144-E220 VanDerWaalsContact CE2-OE1 3.28Å; F144-E220 WeakPolarHBondContact CE2-OE1 3.46Å; F144-E220 HydrophobicContact CZ-CB 4.06Å; F144-E220 HydrophobicContact CZ-CG 3.32Å; F144-E220 WeakPolarHBondContact CZ-OE1 3.3Å
145L83.6Confident79.2Confident78 Ų7871.5 Ų71.541%0.40839%0.39SS..Hα-helixtrans-59.9-39.3176.3-73.6175.2000111.7V141 F142 M148 I149V141-L145 HydrophobicContact CG1-CD1 4.15Å; V141-L145 HydrophobicContact CG1-CG 4.41Å; V141-L145 WeakPolarHBondContact O-CG 3.33Å; V141-L145 PolarHBondContact O-N 3.47Å; F142-L145 PolarHBondContact O-N 2.96Å; L145-M148 PolarHBondContact O-N 3.02Å; L145-I149 WeakPolarHBondContact O-CB 3.5Å; L145-I149 WeakPolarHBondContact O-CD1 3.44Å; L145-I149 WeakPolarHBondContact O-CG1 3.49Å; L145-I149 PolarHBondContact O-N 2.96Å
146F82.4Confident78.2Confident130 Ų13071.7 Ų71.757%0.5739%0.391SS*.Hα-helixtrans-60-48.3175.3-179.2-93.7000111.5F142 G143 F144 M148 I149 D150F142-F146 WeakPolarHBondContact O-CB 3.15Å; F142-F146 PolarHBondContact O-N 2.94Å; G143-F146 PolarHBondContact O-N 3.32Å; F144-F146 VanDerWaalsContact C-N 3.27Å; F144-F146 PolarHBondContact O-N 2.97Å; F146-M148 VanDerWaalsContact C-N 3.32Å; F146-M148 PolarHBondContact O-N 3.48Å; F146-I149 PolarHBondContact O-N 3.31Å; F146-D150 WeakPolarHBondContact O-CB 3.39Å; F146-D150 PolarHBondContact O-N 3.26Å
147V74.6Confident77.3Confident57 Ų5772.2 Ų72.235%0.34540%0.399SS..Hα-helixtrans-62.4-39.2175.5171.70000111.4G143 F144 D150 S151G143-V147 WeakPolarHBondContact O-CG2 3.45Å; G143-V147 PolarHBondContact O-N 3.3Å; F144-V147 PolarHBondContact O-N 3.32Å; V147-D150 PolarHBondContact O-N 3.43Å; V147-S151 WeakPolarHBondContact O-CB 3.49Å; V147-S151 PolarHBondContact O-N 3.17Å; V147-S151 PolarHBondContact O-OG 3.11Å
148M75.6Confident76.5Confident51 Ų5175.8 Ų75.825%0.25141%0.414SS..Hα-helixtrans-65.2-43.5176.5-167.6-160.9-63.400111.6F144 L145 F146 S151 R152F144-M148 HydrophobicContact CD1-CE 4.45Å; F144-M148 HydrophobicContact CE1-CE 3.32Å; F144-M148 HydrophobicContact CE2-CE 4.32Å; F144-M148 HydrophobicContact CZ-CE 3.21Å; F144-M148 PolarHBondContact O-N 2.82Å; L145-M148 PolarHBondContact O-N 3.02Å; F146-M148 VanDerWaalsContact C-N 3.32Å; F146-M148 PolarHBondContact O-N 3.48Å; M148-S151 PolarHBondContact O-N 3.41Å; M148-S151 PolarHBondContact O-OG 2.99Å; M148-R152 WeakPolarHBondContact O-CG 3.27Å; M148-R152 PolarHBondContact O-N 3.04Å; M148-R152 VanDerWaalsContact O-N 3.08Å
149I82.4Confident75.6Confident114 Ų11475.1 Ų75.159%0.58541%0.409SS*.Hα-helixtrans-65.1-43.1177.9-68.8163.7000110.3L145 F146 R152 A153L145-I149 WeakPolarHBondContact O-CB 3.5Å; L145-I149 WeakPolarHBondContact O-CD1 3.44Å; L145-I149 WeakPolarHBondContact O-CG1 3.49Å; L145-I149 PolarHBondContact O-N 2.96Å; F146-I149 PolarHBondContact O-N 3.31Å; I149-R152 PolarHBondContact O-N 3Å; I149-A153 WeakPolarHBondContact O-CB 3.44Å; I149-A153 PolarHBondContact O-N 3.47Å
150D79Confident74.9Confident88 Ų8880.5 Ų80.547%0.47142%0.424SS..Hα-helixtrans-65.2-40.3177.8-170.352.7000111.9F146 V147 R152 A153 T154F146-D150 WeakPolarHBondContact O-CB 3.39Å; F146-D150 PolarHBondContact O-N 3.26Å; V147-D150 PolarHBondContact O-N 3.43Å; D150-R152 VanDerWaalsContact C-N 3.29Å; D150-R152 PolarHBondContact O-N 3.33Å; D150-A153 PolarHBondContact O-N 3.04Å; D150-T154 WeakPolarHBondContact O-CB 3.32Å; D150-T154 WeakPolarHBondContact O-CG2 3.38Å; D150-T154 PolarHBondContact O-N 3.15Å; D150-T154 PolarHBondContact O-OG1 2.85Å
151S71.8Confident74.2Confident48 Ų4886.4 Ų86.434%0.33644%0.44SS..Hα-helixtrans-62.7-34.8174.470.20000112.7V147 M148 T154 F155V147-S151 WeakPolarHBondContact O-CB 3.49Å; V147-S151 PolarHBondContact O-N 3.17Å; V147-S151 PolarHBondContact O-OG 3.11Å; M148-S151 PolarHBondContact O-N 3.41Å; M148-S151 PolarHBondContact O-OG 2.99Å; S151-T154 WeakPolarHBondContact CA-OG1 3.14Å; S151-T154 PolarHBondContact O-OG1 3.5Å; S151-F155 WeakPolarHBondContact O-CB 3.47Å; S151-F155 PolarHBondContact O-N 3.3Å
152R72.1Confident73.4Confident165 Ų16593.6 Ų93.662%0.62346%0.462SS*.Hα-helixtrans-72.8-41.2173.6-70.6178.6-179.9-1622.1112.2M148 I149 D150 T154 F155 T156M148-R152 WeakPolarHBondContact O-CG 3.27Å; M148-R152 PolarHBondContact O-N 3.04Å; M148-R152 VanDerWaalsContact O-N 3.08Å; I149-R152 PolarHBondContact O-N 3Å; D150-R152 VanDerWaalsContact C-N 3.29Å; D150-R152 PolarHBondContact O-N 3.33Å; R152-T154 VanDerWaalsContact C-N 3.35Å; R152-F155 PolarHBondContact O-N 3.4Å; R152-T156 WeakPolarHBondContact O-CG2 3.27Å; R152-T156 PolarHBondContact O-N 3.29Å; R152-T156 PolarHBondContact O-OG1 3.41Å
153A70.9Confident72.5Confident50 Ų5096.2 Ų96.241%0.41347%0.468SS..Hα-helixtrans-62.1-43.6176.200000111.2I149 D150 T156 A157I149-A153 WeakPolarHBondContact O-CB 3.44Å; I149-A153 PolarHBondContact O-N 3.47Å; D150-A153 PolarHBondContact O-N 3.04Å; A153-T156 PolarHBondContact O-N 3.38Å; A153-T156 PolarHBondContact O-OG1 2.92Å; A153-A157 WeakPolarHBondContact O-CB 3.32Å; A153-A157 PolarHBondContact O-N 3.48Å
154T64Low72.3Confident65 Ų65101 Ų10140%0.39948%0.482SS..Hα-helixtrans-67.6-3817653.10000112.4D150 S151 R152 A157 N158D150-T154 WeakPolarHBondContact O-CB 3.32Å; D150-T154 WeakPolarHBondContact O-CG2 3.38Å; D150-T154 PolarHBondContact O-N 3.15Å; D150-T154 PolarHBondContact O-OG1 2.85Å; S151-T154 WeakPolarHBondContact CA-OG1 3.14Å; S151-T154 PolarHBondContact O-OG1 3.5Å; R152-T154 VanDerWaalsContact C-N 3.35Å; T154-A157 PolarHBondContact O-N 2.73Å; T154-N158 WeakPolarHBondContact O-CB 3.41Å; T154-N158 PolarHBondContact O-N 3.39Å; T154-N158 PolarHBondContact O-ND2 3.41Å
155F61.1Low71.9Confident154 Ų154106.3 Ų106.368%0.67551%0.507SS*.Hα-helixtrans-62-46.6174.1-174.3-98.6000112S151 R152 A157 N158 A159S151-F155 WeakPolarHBondContact O-CB 3.47Å; S151-F155 PolarHBondContact O-N 3.3Å; R152-F155 PolarHBondContact O-N 3.4Å; F155-A157 PolarHBondContact O-N 2.84Å; F155-N158 PolarHBondContact O-N 3.12Å; F155-A159 WeakPolarHBondContact O-CB 3.36Å; F155-A159 PolarHBondContact O-N 3.31Å
156T70.3Confident71.2Confident73 Ų73108.8 Ų108.845%0.44852%0.516SS..Hα-helixtrans-66.2-37.6178.656.80000112.2R152 A153 R160R152-T156 WeakPolarHBondContact O-CG2 3.27Å; R152-T156 PolarHBondContact O-N 3.29Å; R152-T156 PolarHBondContact O-OG1 3.41Å; A153-T156 PolarHBondContact O-N 3.38Å; A153-T156 PolarHBondContact O-OG1 2.92Å; T156-R160 WeakPolarHBondContact O-CB 3.16Å; T156-R160 WeakPolarHBondContact O-CG 3.27Å; T156-R160 PolarHBondContact O-N 3.23Å
157A67.6Low70.3Confident43 Ų43106.3 Ų106.336%0.35552%0.515SS..Hα-helixtrans-64.8-44.3174.500000112.2A153 T154 F155 R160 R161A153-A157 WeakPolarHBondContact O-CB 3.32Å; A153-A157 PolarHBondContact O-N 3.48Å; T154-A157 PolarHBondContact O-N 2.73Å; F155-A157 PolarHBondContact O-N 2.84Å; A157-R160 PolarHBondContact O-N 2.96Å; A157-R161 WeakPolarHBondContact O-CG 3.42Å; A157-R161 PolarHBondContact O-N 3.02Å
158N68.9Low69.7Low90 Ų90113.1 Ų113.148%0.48153%0.534SS..Hα-helixtrans-68-38.7178.4-75.2-22.5000112.3T154 F155 R161 R162T154-N158 WeakPolarHBondContact O-CB 3.41Å; T154-N158 PolarHBondContact O-N 3.39Å; T154-N158 PolarHBondContact O-ND2 3.41Å; F155-N158 PolarHBondContact O-N 3.12Å; N158-R161 PolarHBondContact O-N 3.02Å; N158-R162 WeakPolarHBondContact O-CG 3.38Å; N158-R162 PolarHBondContact O-N 3.04Å
159A70.1Confident68.9Low38 Ų38114 Ų11431%0.31455%0.545SS..Hα-helixtrans-62.7-41.2173.800000111.7F155 R163F155-A159 WeakPolarHBondContact O-CB 3.36Å; F155-A159 PolarHBondContact O-N 3.31Å; A159-R163 PolarHBondContact O-N 2.95Å
160R71.6Confident67.8Low183 Ų183114 Ų11469%0.69155%0.546SS*.Hα-helixtrans-64.1-43.5174.3-75.4178.3-175.8-179.62.6112.1T156 A157 R163 Q164T156-R160 WeakPolarHBondContact O-CB 3.16Å; T156-R160 WeakPolarHBondContact O-CG 3.27Å; T156-R160 PolarHBondContact O-N 3.23Å; A157-R160 PolarHBondContact O-N 2.96Å; R160-R163 PolarHBondContact O-N 3.33Å; R160-Q164 PolarHBondContact O-N 3.23Å; R160-Q164 VanDerWaalsContact O-N 3.14Å
161R66Low66.7Low143 Ų143116 Ų11654%0.5456%0.557SS.*Hα-helixtrans-64.2-40.4177.8-74.9-175.5-176.2-171.12112.6A157 N158 R163 Q164 H165A157-R161 WeakPolarHBondContact O-CG 3.42Å; A157-R161 PolarHBondContact O-N 3.02Å; N158-R161 PolarHBondContact O-N 3.02Å; R161-R163 VanDerWaalsContact C-N 3.33Å; R161-R163 PolarHBondContact O-N 2.94Å; R161-Q164 PolarHBondContact O-N 2.89Å; R161-H165 PolarHBondContact O-CD2 3.5Å; R161-H165 PolarHBondContact O-N 2.88Å
162R67.8Low66Low199 Ų199120.2 Ų120.275%0.75158%0.576SS**Hα-helixtrans-60.8-40.3175-74.1-173.1-169.9-174.12.9112.3N158 Q164 H165 H166N158-R162 WeakPolarHBondContact O-CG 3.38Å; N158-R162 PolarHBondContact O-N 3.04Å; R162-Q164 VanDerWaalsContact C-N 3.34Å; R162-Q164 PolarHBondContact O-N 3.33Å; R162-H165 PolarHBondContact O-N 3.48Å; R162-H166 PolarHBondContact O-N 3.36Å
163R69Low65.1Low193 Ų193119.6 Ų119.673%0.72859%0.585SS**Hα-helixtrans-63.3-39175.1-69.9-178.4-174176.31.7112.4A159 R160 R161 H166 S167A159-R163 PolarHBondContact O-N 2.95Å; R160-R163 PolarHBondContact O-N 3.33Å; R161-R163 VanDerWaalsContact C-N 3.33Å; R161-R163 PolarHBondContact O-N 2.94Å; R163-H166 PolarHBondContact O-N 3.07Å; R163-S167 PolarHBondContact O-N 3.36Å; R163-S167 VanDerWaalsContact O-N 3.08Å; R163-S167 PolarHBondContact O-OG 2.96Å
164Q72.5Confident64.3Low133 Ų133122.6 Ų122.662%0.62160%0.598SS**Hα-helixtrans-66.8-40.9176.7-73.3-179-23.800112.6R160 R161 R162 S167 R168R160-Q164 PolarHBondContact O-N 3.23Å; R160-Q164 VanDerWaalsContact O-N 3.14Å; R161-Q164 PolarHBondContact O-N 2.89Å; R162-Q164 VanDerWaalsContact C-N 3.34Å; R162-Q164 PolarHBondContact O-N 3.33Å; Q164-S167 PolarHBondContact O-N 3.11Å; Q164-R168 PolarHBondContact O-N 3.29Å; Q164-R168 VanDerWaalsContact O-N 3.09Å
165H68.8Low63.7Low138 Ų138122.4 Ų122.464%0.63961%0.609SS**Hα-helixtrans-64.7-40.2175.2-84.4-79.3000112.5R161 R162 S167 R168 S169R161-H165 PolarHBondContact O-CD2 3.5Å; R161-H165 PolarHBondContact O-N 2.88Å; R162-H165 PolarHBondContact O-N 3.48Å; H165-S167 VanDerWaalsContact C-N 3.29Å; H165-S167 PolarHBondContact O-N 3.39Å; H165-R168 PolarHBondContact O-N 2.94Å; H165-S169 PolarHBondContact O-N 3.13Å; H165-S169 VanDerWaalsContact O-N 3.12Å
166H68.5Low63.1Low129 Ų129122.8 Ų122.860%0.59762%0.618SS**Hα-helixtrans-67.1-31.1177.7-145.6-55.9000112.6R162 R163R162-H166 PolarHBondContact O-N 3.36Å; R163-H166 PolarHBondContact O-N 3.07Å
167S64.7Low61.9Low79 Ų79125.5 Ų125.555%0.55264%0.635SS**Hα-helixtrans-73.8-35176.4-53.50000112.1R163 Q164 H165R163-S167 PolarHBondContact O-N 3.36Å; R163-S167 VanDerWaalsContact O-N 3.08Å; R163-S167 PolarHBondContact O-OG 2.96Å; Q164-S167 PolarHBondContact O-N 3.11Å; H165-S167 VanDerWaalsContact C-N 3.29Å; H165-S167 PolarHBondContact O-N 3.39Å
168R60.6Low60.8Low199 Ų199129.3 Ų129.375%0.75165%0.654SS**Hα-helixtrans-71.3-34.8175.7-88.7-177165.4172.5-4.7113.1Q164 H165 L170 N171Q164-R168 PolarHBondContact O-N 3.29Å; Q164-R168 VanDerWaalsContact O-N 3.09Å; H165-R168 PolarHBondContact O-N 2.94Å; R168-L170 VanDerWaalsContact C-N 3.31Å; R168-L170 PolarHBondContact O-N 3.23Å; R168-N171 PolarHBondContact O-N 2.99Å
169S59.4Low59.6Low69 Ų69132 Ų13248%0.48367%0.667SS.*Hα-helixtrans-70.9-28178.795.10000112.8H165H165-S169 PolarHBondContact O-N 3.13Å; H165-S169 VanDerWaalsContact O-N 3.12Å
170L59.6Low58.2Low116 Ų116136.2 Ų136.261%0.60769%0.688SS**Hα-helixtrans-73-28176.2-80.1159.9000112.9R168 T174R168-L170 VanDerWaalsContact C-N 3.31Å; R168-L170 PolarHBondContact O-N 3.23Å; L170-T174 PolarHBondContact O-OG1 3.28Å
171N56.2Low56.7Low128 Ų128133.7 Ų133.768%0.68469%0.694SS**Hα-helixtrans-83.5-23.4-177.1-147.423.9000113.7R168R168-N171 PolarHBondContact O-N 2.99Å
172N56.1Low55.5Low138 Ų138133.6 Ų133.674%0.73871%0.709SS**Hα-helixtrans-81.9-15.3-179.3-81.74.4000114.2
173N54Low54.3Low152 Ų152130.3 Ų130.381%0.81371%0.711SS**THydrogen-bonded Turntrans-90.4-5.6179.8-81.4-5.3000114.2
174T52.7Low53Low113 Ų113126.7 Ų126.769%0.69371%0.711SS**SBendtrans-97.95.6-176.4-23.20000113.6L170L170-T174 PolarHBondContact O-OG1 3.28Å
175G52.1Low51.5Low61 Ų61125.6 Ų125.663%0.62971%0.714SS**SBendtrans-100.7-8.1-170.600000118.4
176N49.5Very low50.5Low162 Ų162125.9 Ų125.987%0.86672%0.718SS**  trans-119.230.3-164.1-88.55.6000116.9
177T43.5Very low49.2Very low129 Ų129125.4 Ų125.479%0.79172%0.724SS**  trans-128.475.6176.540.80000113.4
178T45.1Very low48Very low124 Ų124126 Ų12676%0.76173%0.729SS**  trans-154.2106.6158.3-7.30000112
179I43.6Very low47.1Very low147 Ų147122.9 Ų122.975%0.75473%0.732SS**  trans48.7122.4130.6-48.6173.6000115.9
180T41.1Very low46.4Very low125 Ų125126.9 Ų126.977%0.76775%0.748SS**  -174.9133.989.7-50.30000111.5
181T40.2Very low45.3Very low131 Ų131128.2 Ų128.280%0.80476%0.761SS**  trans-90.9129.1171.65.90000110.6
182T41Very low44.8Very low141 Ų141129 Ų12987%0.86576%0.764SS**  trans-161.9138.6150.928.30000112.4
183T41.2Very low44.2Very low129 Ų129130.1 Ų130.179%0.79177%0.77SS**  trans-87.2159.1-167.5-26.20000113.1
184T42.3Very low43.5Very low118 Ų118129 Ų12972%0.72476%0.764SS**  trans124.6116.5140660000119.1
185T42Very low42.7Very low110 Ų110130.4 Ų130.468%0.67577%0.767SS**  trans76.7118132.149.70000123.9
186I47Very low42Very low144 Ų144134 Ų13474%0.73878%0.777SS**  trans68.8125.3130.1-50.9162.7000114.9
187T41.1Very low41.4Very low118 Ų118131.7 Ų131.772%0.72477%0.769SS**  cis-169.3147.738.9-13.10000108.7
188S39.7Very low41.1Very low92 Ų92131.3 Ų131.364%0.64377%0.766SS**  trans7.3126.4147.252.70000120.9
189T41.7Very low40.6Very low133 Ų133131.3 Ų131.382%0.81676%0.762SS**  177.4125.798.433.40000112
190N43.6Very low40.3Very low153 Ų153131.6 Ų131.682%0.81877%0.765SS**  trans3.7118.2150.5-59.7-17.7000118.7
191T38.5Very low39.9Very low144 Ų144132.5 Ų132.588%0.88377%0.765SS**  -170.3117113.510.90000110.1
192I44.2Very low39.7Very low145 Ų145130.3 Ų130.374%0.74476%0.76SS**  trans-78.7118.7170.2-67.8163.1000106.2
193N43.8Very low39.3Very low162 Ų162130.7 Ų130.787%0.86676%0.757SS**  trans-151.6112.2149.4-99-18000110.8
194N40.3Very low38.9Very low129 Ų129129.7 Ų129.769%0.6976%0.755SS**  trans-49.4161.8175.3-63.1-34.8000115.1
195N35.8Very low38.5Very low142 Ų142131.9 Ų131.976%0.75976%0.755SS**  trans97.268158.7-55.1-15.6000117
196T37.4Very low38Very low136 Ų136132.4 Ų132.483%0.83476%0.757SS**  trans-120.873.2144.727.80000108.8T198T196-T198 VanDerWaalsContact C-N 3.29Å; T196-T198 PolarHBondContact O-N 2.97Å; T196-T198 VanDerWaalsContact O-N 3.13Å
197T36.1Very low37.4Very low113 Ų113132.5 Ų132.569%0.69375%0.753SS**  trans-78.683163.532.60000108.6N199T197-N199 PolarHBondContact O-N 3.27Å
198T37.4Very low37.1Very low121 Ų121133.4 Ų133.474%0.74275%0.752SS**  trans-71.273.8154.549.60000107.8T196 N200T196-T198 VanDerWaalsContact C-N 3.29Å; T196-T198 PolarHBondContact O-N 2.97Å; T196-T198 VanDerWaalsContact O-N 3.13Å; T198-N200 PolarHBondContact O-N 3.48Å
199N34.7Very low36.7Very low125 Ų125134.5 Ų134.567%0.66876%0.757SS**  trans-79.7102.2167.9-90.1-2.4000107.9T197 N201T197-N199 PolarHBondContact O-N 3.27Å; N199-N201 PolarHBondContact O-N 3.02Å
200N37.9Very low36.3Very low152 Ų152139 Ų13981%0.81376%0.759SS**  trans-54.186159.5-65.3-38.4000108.9T198 A202T198-N200 PolarHBondContact O-N 3.48Å; N200-A202 PolarHBondContact O-N 3.45Å
201N31.7Very low36Very low145 Ų145135.9 Ų135.978%0.77575%0.749SS**  trans-73.973.2159-74.2-10.3000106.6N199 D203N199-N201 PolarHBondContact O-N 3.02Å; N201-D203 PolarHBondContact O-N 3.36Å; N201-D203 VanDerWaalsContact O-N 3.15Å
202A36.5Very low35.8Very low84 Ų84137.1 Ų137.169%0.69474%0.738SS**  trans-63.1112.2161.400000106.3N200 S204N200-A202 PolarHBondContact O-N 3.45Å; A202-S204 PolarHBondContact O-N 3.5Å
203D31.4Very low36Very low150 Ų150137 Ų13780%0.80273%0.733SS**  trans-32.493.8175.3-61.9-48.4000112.5N201 F205N201-D203 PolarHBondContact O-N 3.36Å; N201-D203 VanDerWaalsContact O-N 3.15Å; D203-F205 PolarHBondContact O-N 3.27Å
204S33.5Very low36Very low107 Ų107132.4 Ų132.475%0.74872%0.719SS**  trans-73.874.716053.80000106.9A202 V206A202-S204 PolarHBondContact O-N 3.5Å; S204-V206 PolarHBondContact O-N 3.49Å
205F33.5Very low36.5Very low165 Ų165128.5 Ų128.572%0.72470%0.701SS**  trans-65.785.6166.6-146.7-79.4000106.3D203 F207D203-F205 PolarHBondContact O-N 3.27Å; F205-F207 AromaticContact CD1-CD2 3.4Å; F205-F207 HydrophobicContact CD1-CD2 3.4Å; F205-F207 VanDerWaalsContact CD1-CD2 3.4Å; F205-F207 AromaticContact CD1-CE2 3.7Å; F205-F207 HydrophobicContact CD1-CE2 3.7Å; F205-F207 HydrophobicContact CD1-CG 4.35Å; F205-F207 AromaticContact CE1-CD2 3.7Å; F205-F207 HydrophobicContact CE1-CD2 3.7Å; F205-F207 AromaticContact CE1-CE2 3.53Å; F205-F207 HydrophobicContact CE1-CE2 3.53Å; F205-F207 HydrophobicContact CE1-CZ 4.37Å; F205-F207 PolarHBondContact O-N 2.94Å
206V32.5Very low37.7Very low120 Ų120123.9 Ų123.973%0.72768%0.68SS**  trans-65.188.9170.4177.10000106.1S204 I208S204-V206 PolarHBondContact O-N 3.49Å; V206-I208 VanDerWaalsContact C-N 3.34Å; V206-I208 PolarHBondContact O-N 3.21Å
207F33.5Very low38.9Very low146 Ų146123.8 Ų123.864%0.6467%0.668SS**  trans-68.597.3171.7-124.5-82.2000106.7F205 P209F205-F207 AromaticContact CD1-CD2 3.4Å; F205-F207 HydrophobicContact CD1-CD2 3.4Å; F205-F207 VanDerWaalsContact CD1-CD2 3.4Å; F205-F207 AromaticContact CD1-CE2 3.7Å; F205-F207 HydrophobicContact CD1-CE2 3.7Å; F205-F207 HydrophobicContact CD1-CG 4.35Å; F205-F207 AromaticContact CE1-CD2 3.7Å; F205-F207 HydrophobicContact CE1-CD2 3.7Å; F205-F207 AromaticContact CE1-CE2 3.53Å; F205-F207 HydrophobicContact CE1-CE2 3.53Å; F205-F207 HydrophobicContact CE1-CZ 4.37Å; F205-F207 PolarHBondContact O-N 2.94Å; F207-P209 WeakPolarHBondContact O-CD 3.29Å
208I35.4Very low40.5Very low138 Ų138123 Ų12371%0.70866%0.663SS**  trans-59118.8166.6-60169000105.4V206 R210V206-I208 VanDerWaalsContact C-N 3.34Å; V206-I208 PolarHBondContact O-N 3.21Å; I208-R210 PolarHBondContact O-N 3.45Å
209P32.1Very low42Very low115 Ų115121.1 Ų121.175%0.74765%0.648SS**  trans-59.6115178.422.6-30.1000107.7F207 S211F207-P209 WeakPolarHBondContact O-CD 3.29Å; P209-S211 PolarHBondContact O-N 2.87Å
210R32.4Very low43.8Very low226 Ų226118.2 Ų118.285%0.85363%0.63SS**  trans-52.8127.6170.7-154.4174.2-165.5138.13.4106.7I208 R212I208-R210 PolarHBondContact O-N 3.45Å; R210-R212 PolarHBondContact O-N 3.47Å
211S36.7Very low45.5Very low89 Ų89113.3 Ų113.362%0.62260%0.604SS**  trans-44.9126.3-176.540.90000109.9P209 H213P209-S211 PolarHBondContact O-N 2.87Å; S211-H213 PolarHBondContact O-N 2.89Å
212R36Very low47.7Very low170 Ų170108.9 Ų108.964%0.64258%0.584SS**  trans-55.7114.6175.6-72.7178.3179.4163.4-0.7107.9R210 A214 Y488R210-R212 PolarHBondContact O-N 3.47Å; R212-A214 PolarHBondContact O-N 3.28Å; R212-Y488 PolarHBondContact NH1-OH 3.48Å
213H48.3Very low49.7Very low141 Ų141106.7 Ų106.765%0.65356%0.56SS**  trans-75.877.3165.1-71-80.8000107.7S211 C215S211-H213 PolarHBondContact O-N 2.89Å; H213-C215 PolarHBondContact O-N 2.67Å; H213-C215 VanDerWaalsContact O-N 3.15Å
214A42.8Very low52.1Low67 Ų67102.1 Ų102.155%0.55454%0.543SS*.  trans-71102.6164.600000106.6R212 S216R212-A214 PolarHBondContact O-N 3.28Å; A214-S216 PolarHBondContact O-N 2.98Å
215C50.9Low54.6Low47 Ų4797.5 Ų97.532%0.31851%0.511SS..  trans-72.3120.8166.2-1610000106.8F144 H213F144-C215 WeakPolarHBondContact CD2-SG 3.08Å; F144-C215 HydrophobicContact CE2-CB 4.06Å; F144-C215 WeakPolarHBondContact CE2-SG 3.49Å; H213-C215 PolarHBondContact O-N 2.67Å; H213-C215 VanDerWaalsContact O-N 3.15Å
216S61.5Low57.1Low45 Ų4593.8 Ų93.832%0.31550%0.499SS..  trans-75.3132.9-179.451.20000109.6A214 T218 L219A214-S216 PolarHBondContact O-N 2.98Å; S216-T218 PolarHBondContact O-N 3.05Å; S216-L219 WeakPolarHBondContact O-CB 3.44Å; S216-L219 PolarHBondContact O-N 2.84Å
217F61.9Low59.8Low134 Ų13490 Ų9059%0.58847%0.474SS*.Hα-helixtrans-46.2-33.9173.7170.2-103.4000112.6L219 E220 L221F217-L219 VanDerWaalsContact C-N 3.32Å; F217-L219 PolarHBondContact O-N 2.83Å; F217-E220 WeakPolarHBondContact O-CB 3.41Å; F217-E220 PolarHBondContact O-N 3.39Å; F217-L221 PolarHBondContact O-N 2.9Å; F217-L221 VanDerWaalsContact O-N 3.09Å
218T69.8Low62.6Low96 Ų9686.7 Ų86.759%0.58946%0.463SS*.Hα-helixtrans-58-39.4176.2-45.60000113.2S216 C222S216-T218 PolarHBondContact O-N 3.05Å; T218-C222 VanDerWaalsContact O-CB 3.28Å; T218-C222 WeakPolarHBondContact O-CB 3.45Å; T218-C222 PolarHBondContact O-N 3.44Å
219L68.4Low65.4Low81 Ų8181.2 Ų81.242%0.42443%0.434SS..Hα-helixtrans-70.8-39.7179.5-173.8150.3000110.9S216 F217 C222 I223S216-L219 WeakPolarHBondContact O-CB 3.44Å; S216-L219 PolarHBondContact O-N 2.84Å; F217-L219 VanDerWaalsContact C-N 3.32Å; F217-L219 PolarHBondContact O-N 2.83Å; L219-C222 PolarHBondContact O-N 3.34Å; L219-I223 HydrophobicContact CD2-CD1 3.44Å; L219-I223 VanDerWaalsContact CD2-CD1 3.44Å; L219-I223 HydrophobicContact CD2-CG1 4.17Å; L219-I223 HydrophobicContact CG-CD1 4.39Å; L219-I223 WeakPolarHBondContact O-CG1 3.22Å; L219-I223 PolarHBondContact O-N 3.11Å
220E72.8Confident68.2Low64 Ų6476.9 Ų76.930%0.29941%0.405SS..Hα-helixtrans-59.2-50176.8-39.7-173.1175.200110.9F144 F217 C222 I223 A224F144-E220 HydrophobicContact CD2-CG 4.13Å; F144-E220 HydrophobicContact CE1-CB 4.3Å; F144-E220 HydrophobicContact CE1-CG 4.05Å; F144-E220 HydrophobicContact CE2-CB 4.33Å; F144-E220 VanDerWaalsContact CE2-CD 3.47Å; F144-E220 HydrophobicContact CE2-CG 3.36Å; F144-E220 VanDerWaalsContact CE2-OE1 3.28Å; F144-E220 WeakPolarHBondContact CE2-OE1 3.46Å; F144-E220 HydrophobicContact CZ-CB 4.06Å; F144-E220 HydrophobicContact CZ-CG 3.32Å; F144-E220 WeakPolarHBondContact CZ-OE1 3.3Å; F217-E220 WeakPolarHBondContact O-CB 3.41Å; F217-E220 PolarHBondContact O-N 3.39Å; E220-C222 VanDerWaalsContact C-N 3.31Å; E220-C222 PolarHBondContact O-N 3.36Å; E220-I223 PolarHBondContact O-N 2.97Å; E220-A224 WeakPolarHBondContact O-CB 3.28Å; E220-A224 PolarHBondContact O-N 3.27Å
221L73.3Confident71.2Confident50 Ų5070 Ų7026%0.26239%0.385SS..Hα-helixtrans-62.9-39.7179-173.466.5000111.2F217 A225 L255 M258F217-L221 PolarHBondContact O-N 2.9Å; F217-L221 VanDerWaalsContact O-N 3.09Å; L221-A225 WeakPolarHBondContact O-CB 3.14Å; L221-A225 PolarHBondContact O-N 2.92Å; L221-L255 HydrophobicContact CG-CD2 4.31Å; L221-M258 HydrophobicContact CD2-CB 4.48Å; L221-M258 HydrophobicContact CD2-CG 4.1Å
222C77.5Confident73.9Confident52 Ų5269 Ų6935%0.35137%0.369SS..Hα-helixtrans-64.4-47.4178.4-171.60000112.1T218 L219 E220 N226T218-C222 VanDerWaalsContact O-CB 3.28Å; T218-C222 WeakPolarHBondContact O-CB 3.45Å; T218-C222 PolarHBondContact O-N 3.44Å; L219-C222 PolarHBondContact O-N 3.34Å; E220-C222 VanDerWaalsContact C-N 3.31Å; E220-C222 PolarHBondContact O-N 3.36Å; C222-N226 VanDerWaalsContact O-CB 3.25Å; C222-N226 WeakPolarHBondContact O-CB 3.25Å; C222-N226 PolarHBondContact O-N 3.42Å; C222-N226 PolarHBondContact O-ND2 2.93Å; C222-N226 VanDerWaalsContact O-ND2 3.14Å; C222-N226 PolarHBondContact SG-ND2 2.84Å
223I78.9Confident76.6Confident38 Ų3863.3 Ų63.320%0.19535%0.351CS..Hα-helixtrans-62.6-48.2177.5-66.7177.6000110.5V141 L219 E220 N226 L227V141-I223 HydrophobicContact CG2-CG2 3.62Å; L219-I223 HydrophobicContact CD2-CD1 3.44Å; L219-I223 VanDerWaalsContact CD2-CD1 3.44Å; L219-I223 HydrophobicContact CD2-CG1 4.17Å; L219-I223 HydrophobicContact CG-CD1 4.39Å; L219-I223 WeakPolarHBondContact O-CG1 3.22Å; L219-I223 PolarHBondContact O-N 3.11Å; E220-I223 PolarHBondContact O-N 2.97Å; I223-N226 PolarHBondContact O-N 3.33Å; I223-L227 PolarHBondContact O-N 2.65Å
224A83.5Confident78.8Confident53 Ų5356.7 Ų56.744%0.43832%0.32SS..Hα-helixtrans-62.7-45.8-178.700000111.8E220 L227 L228E220-A224 WeakPolarHBondContact O-CB 3.28Å; E220-A224 PolarHBondContact O-N 3.27Å; A224-L227 PolarHBondContact O-N 3.36Å; A224-L228 VanDerWaalsContact O-CB 3.3Å; A224-L228 WeakPolarHBondContact O-CB 3.34Å; A224-L228 PolarHBondContact O-N 2.95Å
225A85.3Confident81.2Confident10 Ų1054 Ų548%0.08330%0.298CS..Hα-helixtrans-69.7-34179.300000112.6L221 L228 Q229 L255L221-A225 WeakPolarHBondContact O-CB 3.14Å; L221-A225 PolarHBondContact O-N 2.92Å; A225-L228 PolarHBondContact O-N 2.95Å; A225-Q229 WeakPolarHBondContact O-CB 3.38Å; A225-Q229 PolarHBondContact O-N 2.83Å; A225-L255 HydrophobicContact CB-CD1 3.51Å; A225-L255 HydrophobicContact CB-CD2 3.6Å; A225-L255 HydrophobicContact CB-CG 3.44Å; A225-L255 VanDerWaalsContact CB-CG 3.44Å
226N84.6Confident83.2Confident88 Ų8853.7 Ų53.747%0.47129%0.291SS..Hα-helixtrans-65.1-43.5173-74-21.9000111.8C222 I223 Q229 L230C222-N226 VanDerWaalsContact O-CB 3.25Å; C222-N226 WeakPolarHBondContact O-CB 3.25Å; C222-N226 PolarHBondContact O-N 3.42Å; C222-N226 PolarHBondContact O-ND2 2.93Å; C222-N226 VanDerWaalsContact O-ND2 3.14Å; C222-N226 PolarHBondContact SG-ND2 2.84Å; I223-N226 PolarHBondContact O-N 3.33Å; N226-Q229 PolarHBondContact O-N 3.13Å; N226-L230 WeakPolarHBondContact O-CB 3.46Å; N226-L230 PolarHBondContact O-N 3.03Å
227L90.6Very high84.7Confident40 Ų4053.7 Ų53.721%0.20929%0.287CS..Hα-helixtrans-64.3-43.5175.3-179.263000111.1L134 V141 I223 A224 L230 L231L134-L227 HydrophobicContact CD2-CD1 3.9Å; V141-L227 HydrophobicContact CG2-CD2 4.12Å; I223-L227 PolarHBondContact O-N 2.65Å; A224-L227 PolarHBondContact O-N 3.36Å; L227-L230 PolarHBondContact O-N 3.33Å; L227-L231 HydrophobicContact CG-CD1 4.35Å; L227-L231 WeakPolarHBondContact O-CG 3.36Å; L227-L231 PolarHBondContact O-N 3.26Å
228L92.3Very high86.1Confident77 Ų7748.7 Ų48.740%0.40327%0.266SS..Hα-helixtrans-62.6-46176.7-167.364.5000111.1A224 A225 L230 L231 F232 P251A224-L228 VanDerWaalsContact O-CB 3.3Å; A224-L228 WeakPolarHBondContact O-CB 3.34Å; A224-L228 PolarHBondContact O-N 2.95Å; A225-L228 PolarHBondContact O-N 2.95Å; L228-L230 PolarHBondContact O-N 3.43Å; L228-L231 PolarHBondContact O-N 3.29Å; L228-L231 VanDerWaalsContact O-N 3.15Å; L228-F232 HydrophobicContact CD1-CD2 3.94Å; L228-F232 HydrophobicContact CD1-CE2 3.64Å; L228-F232 HydrophobicContact CD2-CE2 4.31Å; L228-F232 HydrophobicContact CG-CD2 3.84Å; L228-F232 HydrophobicContact CG-CE2 3.76Å; L228-F232 WeakPolarHBondContact O-CD2 3.44Å; L228-F232 PolarHBondContact O-N 3.48Å; L228-P251 HydrophobicContact CB-CB 4.37Å; L228-P251 HydrophobicContact CB-CG 4.32Å; L228-P251 HydrophobicContact CD2-CB 4.28Å; L228-P251 HydrophobicContact CD2-CG 3.93Å; L228-P251 HydrophobicContact CG-CB 4.38Å; L228-P251 HydrophobicContact CG-CG 3.88Å
229Q92.9Very high87Confident23 Ų2349.7 Ų49.711%0.10727%0.268CS..Hα-helixtrans-57-40.7176.8-174.655.658.300111.4A225 N226 L233 T248 P251 S252A225-Q229 WeakPolarHBondContact O-CB 3.38Å; A225-Q229 PolarHBondContact O-N 2.83Å; N226-Q229 PolarHBondContact O-N 3.13Å; Q229-L233 VanDerWaalsContact O-CB 3.25Å; Q229-L233 WeakPolarHBondContact O-CB 3.34Å; Q229-L233 PolarHBondContact O-N 3.43Å; Q229-T248 PolarHBondContact NE2-O 2.84Å; Q229-T248 PolarHBondContact OE1-O 3.37Å; Q229-P251 HydrophobicContact CB-CB 4.03Å; Q229-S252 VanDerWaalsContact CD-OG 3.27Å; Q229-S252 PolarHBondContact OE1-OG 3.5Å
230L92.3Very high88.2Confident24 Ų2453.9 Ų53.913%0.12628%0.278CS..Hα-helixtrans-67.2-42.7177-174.761.7000112.2L130 L133 L134 N226 L227 L228 L233 I234L130-L230 HydrophobicContact CB-CD1 4.18Å; L130-L230 HydrophobicContact CD1-CD1 4.02Å; L130-L230 HydrophobicContact CD2-CD1 4.41Å; L130-L230 HydrophobicContact CG-CD1 4.43Å; L133-L230 VanDerWaalsContact C-CD2 3.48Å; L133-L230 HydrophobicContact CB-CD1 4.42Å; L133-L230 HydrophobicContact CB-CD2 3.53Å; L134-L230 HydrophobicContact CB-CD2 4.38Å; L134-L230 HydrophobicContact CD2-CD2 3.71Å; L134-L230 HydrophobicContact CD2-CG 3.97Å; L134-L230 HydrophobicContact CG-CD2 3.82Å; L134-L230 HydrophobicContact CG-CG 4.31Å; N226-L230 WeakPolarHBondContact O-CB 3.46Å; N226-L230 PolarHBondContact O-N 3.03Å; L227-L230 PolarHBondContact O-N 3.33Å; L228-L230 PolarHBondContact O-N 3.43Å; L230-L233 PolarHBondContact O-N 3.4Å; L230-I234 HydrophobicContact CD1-CD1 4.32Å; L230-I234 HydrophobicContact CG-CD1 4.01Å; L230-I234 VanDerWaalsContact O-CG1 3.3Å; L230-I234 WeakPolarHBondContact O-CG1 3.44Å; L230-I234 PolarHBondContact O-N 2.77Å
231L94Very high89Confident82 Ų8254 Ų5443%0.42928%0.28SS..Hα-helixtrans-63.2-45.2177.3-73.1168.5000112L134 L227 L228 L233 I234 A235L134-L231 HydrophobicContact CD2-CD2 3.64Å; L134-L231 HydrophobicContact CD2-CG 4Å; L227-L231 HydrophobicContact CG-CD1 4.35Å; L227-L231 WeakPolarHBondContact O-CG 3.36Å; L227-L231 PolarHBondContact O-N 3.26Å; L228-L231 PolarHBondContact O-N 3.29Å; L228-L231 VanDerWaalsContact O-N 3.15Å; L231-L233 VanDerWaalsContact C-N 3.32Å; L231-L233 PolarHBondContact O-N 2.87Å; L231-I234 PolarHBondContact O-N 3.44Å; L231-A235 VanDerWaalsContact O-CB 3.29Å; L231-A235 WeakPolarHBondContact O-CB 3.34Å; L231-A235 PolarHBondContact O-N 2.83Å
232F93.8Very high89.8Confident68 Ų6862.6 Ų62.630%0.29831%0.309SS..Hα-helixtrans-62-41.9174.6-88.6-94.5000111.3L228 A235 R236 T248 P251L228-F232 HydrophobicContact CD1-CD2 3.94Å; L228-F232 HydrophobicContact CD1-CE2 3.64Å; L228-F232 HydrophobicContact CD2-CE2 4.31Å; L228-F232 HydrophobicContact CG-CD2 3.84Å; L228-F232 HydrophobicContact CG-CE2 3.76Å; L228-F232 WeakPolarHBondContact O-CD2 3.44Å; L228-F232 PolarHBondContact O-N 3.48Å; F232-A235 PolarHBondContact O-N 3.49Å; F232-R236 WeakPolarHBondContact O-CB 3.34Å; F232-R236 PolarHBondContact O-N 3Å; F232-T248 HydrophobicContact CB-CG2 4.1Å; F232-T248 WeakPolarHBondContact O-CG2 3.36Å; F232-P251 HydrophobicContact CD2-CG 4.11Å; F232-P251 HydrophobicContact CE2-CG 4.49Å
233L93.4Very high90.3Very high50 Ų5061.9 Ų61.926%0.26231%0.305SS..Hα-helixtrans-61.1-48177.3-174.969.4000111.4L130 Q229 L230 L231 R236 L237 W245L130-L233 HydrophobicContact CD1-CD2 4.38Å; Q229-L233 VanDerWaalsContact O-CB 3.25Å; Q229-L233 WeakPolarHBondContact O-CB 3.34Å; Q229-L233 PolarHBondContact O-N 3.43Å; L230-L233 PolarHBondContact O-N 3.4Å; L231-L233 VanDerWaalsContact C-N 3.32Å; L231-L233 PolarHBondContact O-N 2.87Å; L233-R236 PolarHBondContact O-N 2.94Å; L233-L237 HydrophobicContact CD1-CD1 4.12Å; L233-L237 HydrophobicContact CD1-CG 4.38Å; L233-L237 HydrophobicContact CD2-CD1 4.35Å; L233-L237 HydrophobicContact CG-CD1 3.76Å; L233-L237 HydrophobicContact CG-CG 4.38Å; L233-L237 WeakPolarHBondContact O-CB 3.38Å; L233-L237 VanDerWaalsContact O-CG 3.25Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 3.41Å; L233-W245 HydrophobicContact CD1-CZ3 4.21Å
234I93.5Very high91Very high2 Ų263.7 Ų63.71%0.0132%0.315CS..Hα-helixtrans-60.8-50.7176.5-69.3164000110.6L127 L130 L134 L230 L231 R236 L237 D238L127-I234 HydrophobicContact CB-CG2 3.9Å; L127-I234 HydrophobicContact CD1-CD1 4.47Å; L127-I234 HydrophobicContact CD1-CG2 3.93Å; L130-I234 HydrophobicContact CB-CD1 3.76Å; L130-I234 HydrophobicContact CB-CG1 3.87Å; L130-I234 HydrophobicContact CD1-CD1 4.29Å; L130-I234 HydrophobicContact CD1-CG1 3.51Å; L130-I234 HydrophobicContact CG-CG1 4.29Å; L134-I234 HydrophobicContact CD1-CD1 3.54Å; L134-I234 HydrophobicContact CD2-CD1 4.01Å; L134-I234 HydrophobicContact CG-CD1 3.77Å; L230-I234 HydrophobicContact CD1-CD1 4.32Å; L230-I234 HydrophobicContact CG-CD1 4.01Å; L230-I234 VanDerWaalsContact O-CG1 3.3Å; L230-I234 WeakPolarHBondContact O-CG1 3.44Å; L230-I234 PolarHBondContact O-N 2.77Å; L231-I234 PolarHBondContact O-N 3.44Å; I234-R236 PolarHBondContact O-N 2.95Å; I234-L237 PolarHBondContact O-N 3.3Å; I234-L237 VanDerWaalsContact O-N 3.12Å; I234-D238 WeakPolarHBondContact O-CB 3.36Å; I234-D238 PolarHBondContact O-N 3.42Å
235A93.5Very high91.5Very high11 Ų1163.2 Ų63.29%0.09130%0.302CS..Hα-helixtrans-60.5-31.4-178.600000112.3L231 F232 W240 I241L231-A235 VanDerWaalsContact O-CB 3.29Å; L231-A235 WeakPolarHBondContact O-CB 3.34Å; L231-A235 PolarHBondContact O-N 2.83Å; F232-A235 PolarHBondContact O-N 3.49Å; A235-W240 HydrophobicContact CB-CB 4.33Å; A235-W240 HydrophobicContact CB-CE3 4.23Å; A235-W240 WeakPolarHBondContact O-CA 3.39Å; A235-W240 WeakPolarHBondContact O-CB 3.25Å; A235-W240 PolarHBondContact O-N 3.46Å; A235-I241 HydrophobicContact CB-CD1 3.65Å; A235-I241 HydrophobicContact CB-CG1 3.99Å; A235-I241 PolarHBondContact O-N 3.32Å
236R94Very high91.8Very high40 Ų4065.4 Ų65.415%0.15131%0.311CS..Hα-helixtrans-75.9-46.3173.1-17956177.3175.1-7.4112.3F232 L233 I234 N239 I241 R242 S243 W245 T248F232-R236 WeakPolarHBondContact O-CB 3.34Å; F232-R236 PolarHBondContact O-N 3Å; L233-R236 PolarHBondContact O-N 2.94Å; I234-R236 PolarHBondContact O-N 2.95Å; R236-N239 PolarHBondContact O-N 2.91Å; R236-N239 VanDerWaalsContact O-N 3.13Å; R236-I241 WeakPolarHBondContact CD-O 3.37Å; R236-I241 PolarHBondContact NH1-O 3.15Å; R236-I241 VanDerWaalsContact NH1-O 3.16Å; R236-R242 PolarHBondContact NH1-O 3.17Å; R236-S243 PolarHBondContact NE-O 2.98Å; R236-S243 VanDerWaalsContact NE-O 3.1Å; R236-S243 PolarHBondContact NH1-O 2.89Å; R236-S243 PolarHBondContact NH2-O 3.28Å; R236-S243 VanDerWaalsContact NH2-O 3.17Å; R236-W245 HydrophobicContact CG-CD2 4.15Å; R236-W245 HydrophobicContact CG-CE3 3.99Å; R236-W245 HydrophobicContact CG-CH2 4.06Å; R236-W245 HydrophobicContact CG-CZ2 4.2Å; R236-W245 HydrophobicContact CG-CZ3 3.95Å; R236-T248 HydrophobicContact CB-CG2 3.87Å; R236-T248 HydrophobicContact CG-CG2 4.35Å
237L91.9Very high92.1Very high44 Ų4463.6 Ų63.623%0.2330%0.303CS..Hα-helixtrans-64.4-39.5-178.6-74.9171000112.6Y126 L130 L233 I234 N239 W245Y126-L237 HydrophobicContact CD1-CB 4.16Å; Y126-L237 HydrophobicContact CD1-CD1 3.86Å; Y126-L237 HydrophobicContact CD1-CG 4.45Å; Y126-L237 HydrophobicContact CD2-CB 3.58Å; Y126-L237 HydrophobicContact CE1-CD1 4.31Å; Y126-L237 HydrophobicContact CE1-CD2 4.37Å; Y126-L237 HydrophobicContact CE2-CB 4.07Å; Y126-L237 HydrophobicContact CE2-CD2 4.46Å; Y126-L237 HydrophobicContact CG-CB 3.6Å; Y126-L237 HydrophobicContact CG-CD1 4.09Å; Y126-L237 HydrophobicContact CG-CG 4.37Å; L130-L237 HydrophobicContact CD1-CD1 4.2Å; L233-L237 HydrophobicContact CD1-CD1 4.12Å; L233-L237 HydrophobicContact CD1-CG 4.38Å; L233-L237 HydrophobicContact CD2-CD1 4.35Å; L233-L237 HydrophobicContact CG-CD1 3.76Å; L233-L237 HydrophobicContact CG-CG 4.38Å; L233-L237 WeakPolarHBondContact O-CB 3.38Å; L233-L237 VanDerWaalsContact O-CG 3.25Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 3.41Å; I234-L237 PolarHBondContact O-N 3.3Å; I234-L237 VanDerWaalsContact O-N 3.12Å; L237-N239 PolarHBondContact O-N 3.17Å; L237-W245 HydrophobicContact CD2-CH2 3.8Å; L237-W245 HydrophobicContact CG-CH2 4.43Å
238D91.7Very high92.2Very high29 Ų2961.8 Ų61.816%0.15529%0.294CS..THydrogen-bonded Turntrans-82.89.3175.1-75.6-29000113.2Y126 L127 I234 W240Y126-D238 WeakPolarHBondContact CB-OD1 3.45Å; Y126-D238 WeakPolarHBondContact CD2-OD1 3.39Å; Y126-D238 PolarHBondContact N-OD1 3.31Å; Y126-D238 PolarHBondContact N-OD2 2.66Å; L127-D238 WeakPolarHBondContact CB-OD2 3.29Å; L127-D238 PolarHBondContact N-OD2 3.2Å; I234-D238 WeakPolarHBondContact O-CB 3.36Å; I234-D238 PolarHBondContact O-N 3.42Å; D238-W240 HydrophobicContact CB-CD2 4.48Å; D238-W240 HydrophobicContact CB-CG 4.38Å; D238-W240 VanDerWaalsContact O-CD1 3.32Å; D238-W240 PolarHBondContact O-N 2.93Å; D238-W240 VanDerWaalsContact O-N 3.11Å
239N89.4Confident92.3Very high118 Ų11858.9 Ų58.963%0.63128%0.278SS*.THydrogen-bonded Turntrans56.621.8179.8-62.9-68.1000115.4R236 L237 I241R236-N239 PolarHBondContact O-N 2.91Å; R236-N239 VanDerWaalsContact O-N 3.13Å; L237-N239 PolarHBondContact O-N 3.17Å; N239-I241 VanDerWaalsContact C-N 3.26Å; N239-I241 PolarHBondContact O-N 3.06Å
240W92.2Very high92.3Very high168 Ų16861.6 Ų61.664%0.63629%0.292SS*.SBendtrans-65.6-34.5172.1-62.1-3.7000111.2L127 A235 D238L127-W240 HydrophobicContact CD1-CH2 4.24Å; L127-W240 HydrophobicContact CD2-CH2 3.89Å; L127-W240 HydrophobicContact CD2-CZ2 4.21Å; L127-W240 HydrophobicContact CG-CH2 4.47Å; A235-W240 HydrophobicContact CB-CB 4.33Å; A235-W240 HydrophobicContact CB-CE3 4.23Å; A235-W240 WeakPolarHBondContact O-CA 3.39Å; A235-W240 WeakPolarHBondContact O-CB 3.25Å; A235-W240 PolarHBondContact O-N 3.46Å; D238-W240 HydrophobicContact CB-CD2 4.48Å; D238-W240 HydrophobicContact CB-CG 4.38Å; D238-W240 VanDerWaalsContact O-CD1 3.32Å; D238-W240 PolarHBondContact O-N 2.93Å; D238-W240 VanDerWaalsContact O-N 3.11Å
241I90.4Very high92.3Very high68 Ų6860.6 Ų60.635%0.34929%0.287SS..  trans-116.8122.1177.5-61.3174.5000109.7A235 R236 N239 S243A235-I241 HydrophobicContact CB-CD1 3.65Å; A235-I241 HydrophobicContact CB-CG1 3.99Å; A235-I241 PolarHBondContact O-N 3.32Å; R236-I241 WeakPolarHBondContact CD-O 3.37Å; R236-I241 PolarHBondContact NH1-O 3.15Å; R236-I241 VanDerWaalsContact NH1-O 3.16Å; N239-I241 VanDerWaalsContact C-N 3.26Å; N239-I241 PolarHBondContact O-N 3.06Å; I241-S243 VanDerWaalsContact C-N 3.25Å; I241-S243 PolarHBondContact O-N 3.22Å
242R89.4Confident92.2Very high230 Ų23058.1 Ų58.187%0.86828%0.277SS*.  trans-82.86.4179-65.5-174.5-177178.20.9114.7R236R236-R242 PolarHBondContact NH1-O 3.17Å
243S89.5Confident92.2Very high37 Ų3757 Ų5726%0.25927%0.272SS..  trans-64.8152.4-177.4-172.10000113.9R236 I241 V247R236-S243 PolarHBondContact NE-O 2.98Å; R236-S243 VanDerWaalsContact NE-O 3.1Å; R236-S243 PolarHBondContact NH1-O 2.89Å; R236-S243 PolarHBondContact NH2-O 3.28Å; R236-S243 VanDerWaalsContact NH2-O 3.17Å; I241-S243 VanDerWaalsContact C-N 3.25Å; I241-S243 PolarHBondContact O-N 3.22Å; S243-V247 WeakPolarHBondContact OG-CB 3.34Å; S243-V247 WeakPolarHBondContact OG-CG1 3.4Å; S243-V247 VanDerWaalsContact OG-CG2 3.29Å; S243-V247 WeakPolarHBondContact OG-CG2 3.38Å
244N92.5Very high92.2Very high75 Ų7558.8 Ų58.840%0.40128%0.281SS..  trans-55.1146.5171-64-15.9000111.7I246 V247 T248 D314N244-I246 HydrophobicContact CB-CG2 3.98Å; N244-I246 PolarHBondContact O-N 3.42Å; N244-V247 HydrophobicContact CB-CG2 4.44Å; N244-V247 VanDerWaalsContact O-CB 3.32Å; N244-V247 WeakPolarHBondContact O-CB 3.43Å; N244-V247 PolarHBondContact O-N 3.37Å; N244-T248 PolarHBondContact O-N 2.8Å; N244-D314 VanDerWaalsContact CA-OD1 3.29Å; N244-D314 WeakPolarHBondContact CA-OD1 3.17Å; N244-D314 WeakPolarHBondContact CB-OD1 3.15Å
245W93.4Very high92.1Very high44 Ų4460.5 Ų60.517%0.16729%0.29CS..Hα-helixtrans-57.6-33.7177.7-72.697.2000112.9L233 R236 L237 V247 T248 F249 L313 D314L233-W245 HydrophobicContact CD1-CZ3 4.21Å; R236-W245 HydrophobicContact CG-CD2 4.15Å; R236-W245 HydrophobicContact CG-CE3 3.99Å; R236-W245 HydrophobicContact CG-CH2 4.06Å; R236-W245 HydrophobicContact CG-CZ2 4.2Å; R236-W245 HydrophobicContact CG-CZ3 3.95Å; L237-W245 HydrophobicContact CD2-CH2 3.8Å; L237-W245 HydrophobicContact CG-CH2 4.43Å; W245-V247 PolarHBondContact O-N 3.41Å; W245-T248 VanDerWaalsContact O-CB 3.29Å; W245-T248 WeakPolarHBondContact O-CB 3.38Å; W245-T248 PolarHBondContact O-N 2.89Å; W245-F249 HydrophobicContact CB-CE2 4.35Å; W245-F249 HydrophobicContact CE3-CZ 4.39Å; W245-F249 WeakPolarHBondContact O-CD2 3.25Å; W245-F249 PolarHBondContact O-N 3.43Å; W245-L313 HydrophobicContact CB-CB 3.79Å; W245-L313 HydrophobicContact CB-CD1 4.47Å; W245-L313 VanDerWaalsContact CD1-CB 3.47Å; W245-L313 HydrophobicContact CD2-CB 3.76Å; W245-L313 HydrophobicContact CD2-CD1 3.88Å; W245-L313 HydrophobicContact CD2-CG 4.34Å; W245-L313 HydrophobicContact CE3-CB 4.5Å; W245-L313 HydrophobicContact CE3-CD1 3.77Å; W245-L313 HydrophobicContact CG-CB 3.4Å; W245-L313 VanDerWaalsContact CG-CB 3.4Å; W245-L313 HydrophobicContact CG-CD1 4.23Å; W245-L313 HydrophobicContact CG-CG 4.42Å; W245-L313 HydrophobicContact CZ3-CD1 4.24Å; W245-L313 PolarHBondContact NE1-O 2.97Å; W245-D314 WeakPolarHBondContact CB-OD1 3.24Å; W245-D314 VanDerWaalsContact CD1-OD1 3.31Å; W245-D314 PolarHBondContact N-OD1 3.47Å; W245-D314 PolarHBondContact N-OD2 2.92Å
246I91.6Very high92Very high55 Ų5561.5 Ų61.528%0.28229%0.294SS..Hα-helixtrans-56.9-34.1174-163.369.6000112.5N244 F249 F253 D314N244-I246 HydrophobicContact CB-CG2 3.98Å; N244-I246 PolarHBondContact O-N 3.42Å; I246-F249 PolarHBondContact O-N 3.31Å; I246-F253 HydrophobicContact CD1-CE2 3.59Å; I246-F253 HydrophobicContact CD1-CZ 3.63Å; I246-F253 HydrophobicContact CG1-CE2 4.19Å; I246-D314 PolarHBondContact N-OD2 3.22Å; I246-D314 VanDerWaalsContact N-OD2 3.11Å
247V92.2Very high92Very high50 Ų5062.1 Ų62.130%0.30331%0.307SS..Hα-helixtrans-74.2-37.1177.4-178.60000110.5S243 N244 W245 F249 I250S243-V247 WeakPolarHBondContact OG-CB 3.34Å; S243-V247 WeakPolarHBondContact OG-CG1 3.4Å; S243-V247 VanDerWaalsContact OG-CG2 3.29Å; S243-V247 WeakPolarHBondContact OG-CG2 3.38Å; N244-V247 HydrophobicContact CB-CG2 4.44Å; N244-V247 VanDerWaalsContact O-CB 3.32Å; N244-V247 WeakPolarHBondContact O-CB 3.43Å; N244-V247 PolarHBondContact O-N 3.37Å; W245-V247 PolarHBondContact O-N 3.41Å; V247-F249 PolarHBondContact O-N 2.85Å; V247-I250 HydrophobicContact CB-CD1 4.16Å; V247-I250 HydrophobicContact CG1-CD1 3.57Å; V247-I250 WeakPolarHBondContact O-CB 3.43Å; V247-I250 WeakPolarHBondContact O-CD1 3.22Å; V247-I250 WeakPolarHBondContact O-CG1 3.35Å; V247-I250 PolarHBondContact O-N 3.23Å; V247-I250 VanDerWaalsContact O-N 3.08Å
248T92.9Very high91.9Very high3 Ų364.1 Ų64.12%0.01832%0.316CS..Hα-helixtrans-59.4-27.5174.5-51.80000112.2Q229 F232 R236 N244 W245Q229-T248 PolarHBondContact NE2-O 2.84Å; Q229-T248 PolarHBondContact OE1-O 3.37Å; F232-T248 HydrophobicContact CB-CG2 4.1Å; F232-T248 WeakPolarHBondContact O-CG2 3.36Å; R236-T248 HydrophobicContact CB-CG2 3.87Å; R236-T248 HydrophobicContact CG-CG2 4.35Å; N244-T248 PolarHBondContact O-N 2.8Å; W245-T248 VanDerWaalsContact O-CB 3.29Å; W245-T248 WeakPolarHBondContact O-CB 3.38Å; W245-T248 PolarHBondContact O-N 2.89Å
249F94Very high91.8Very high16 Ų1664 Ų647%0.0732%0.322CS..THydrogen-bonded Turntrans-91.25.5178.5-62.8-48.5000114.6W245 I246 V247 S252 F253 L306 L309 L313W245-F249 HydrophobicContact CB-CE2 4.35Å; W245-F249 HydrophobicContact CE3-CZ 4.39Å; W245-F249 WeakPolarHBondContact O-CD2 3.25Å; W245-F249 PolarHBondContact O-N 3.43Å; I246-F249 PolarHBondContact O-N 3.31Å; V247-F249 PolarHBondContact O-N 2.85Å; F249-S252 WeakPolarHBondContact O-CB 3.47Å; F249-S252 PolarHBondContact O-N 2.99Å; F249-S252 VanDerWaalsContact O-N 3.16Å; F249-F253 HydrophobicContact CB-CD2 4.11Å; F249-F253 HydrophobicContact CB-CE2 3.72Å; F249-F253 HydrophobicContact CB-CZ 4.43Å; F249-F253 WeakPolarHBondContact O-CD2 3.44Å; F249-F253 PolarHBondContact O-N 3.46Å; F249-L306 HydrophobicContact CB-CD1 4.07Å; F249-L306 HydrophobicContact CB-CD2 4.3Å; F249-L306 HydrophobicContact CB-CG 4.24Å; F249-L306 HydrophobicContact CD1-CD1 3.78Å; F249-L306 HydrophobicContact CD2-CD1 4.07Å; F249-L306 HydrophobicContact CE1-CD1 4.21Å; F249-L306 HydrophobicContact CE2-CD1 4.47Å; F249-L306 HydrophobicContact CG-CD1 3.72Å; F249-L306 HydrophobicContact CG-CG 4.34Å; F249-L309 HydrophobicContact CE2-CG 4.43Å; F249-L309 HydrophobicContact CZ-CD2 4.12Å; F249-L309 HydrophobicContact CZ-CG 4.39Å; F249-L313 HydrophobicContact CE2-CD1 3.98Å; F249-L313 HydrophobicContact CZ-CD1 3.9Å
250I93.5Very high92Very high79 Ų7962.2 Ų62.241%0.40531%0.309SS..Hα-helixtrans-51.8-47177-73.5168.7000112.7V247 S252 F253 I254V247-I250 HydrophobicContact CB-CD1 4.16Å; V247-I250 HydrophobicContact CG1-CD1 3.57Å; V247-I250 WeakPolarHBondContact O-CB 3.43Å; V247-I250 WeakPolarHBondContact O-CD1 3.22Å; V247-I250 WeakPolarHBondContact O-CG1 3.35Å; V247-I250 PolarHBondContact O-N 3.23Å; V247-I250 VanDerWaalsContact O-N 3.08Å; I250-S252 VanDerWaalsContact C-N 3.35Å; I250-S252 PolarHBondContact O-N 2.95Å; I250-F253 PolarHBondContact O-N 2.91Å; I250-F253 VanDerWaalsContact O-N 3.12Å; I250-I254 HydrophobicContact CG2-CD1 3.77Å; I250-I254 HydrophobicContact CG2-CG1 4.32Å; I250-I254 WeakPolarHBondContact O-CG1 3.37Å; I250-I254 PolarHBondContact O-N 2.86Å
251P92.5Very high92.1Very high3 Ų359.3 Ų59.32%0.01931%0.305CS..Hα-helixtrans-59.3-42.8178.5-24.434.9000113.1L228 Q229 F232 I254 L255L228-P251 HydrophobicContact CB-CB 4.37Å; L228-P251 HydrophobicContact CB-CG 4.32Å; L228-P251 HydrophobicContact CD2-CB 4.28Å; L228-P251 HydrophobicContact CD2-CG 3.93Å; L228-P251 HydrophobicContact CG-CB 4.38Å; L228-P251 HydrophobicContact CG-CG 3.88Å; Q229-P251 HydrophobicContact CB-CB 4.03Å; F232-P251 HydrophobicContact CD2-CG 4.11Å; F232-P251 HydrophobicContact CE2-CG 4.49Å; P251-I254 PolarHBondContact O-N 3.23Å; P251-L255 PolarHBondContact O-N 2.9Å; P251-L255 VanDerWaalsContact O-N 3.09Å
252S91.9Very high92.1Very high30 Ų3061.9 Ų61.921%0.2131%0.314CS..Hα-helixtrans-62-40.3172.9-69.80000112.8Q229 F249 I250 L255 L256Q229-S252 VanDerWaalsContact CD-OG 3.27Å; Q229-S252 PolarHBondContact OE1-OG 3.5Å; F249-S252 WeakPolarHBondContact O-CB 3.47Å; F249-S252 PolarHBondContact O-N 2.99Å; F249-S252 VanDerWaalsContact O-N 3.16Å; I250-S252 VanDerWaalsContact C-N 3.35Å; I250-S252 PolarHBondContact O-N 2.95Å; S252-L255 PolarHBondContact O-N 3.47Å; S252-L256 WeakPolarHBondContact O-CB 3.36Å; S252-L256 WeakPolarHBondContact O-CG 3.36Å; S252-L256 PolarHBondContact O-N 3.15Å
253F94Very high92.3Very high46 Ų4651.4 Ų51.420%0.20228%0.276CS..Hα-helixtrans-64-39.5175.6-72.8-56.8000112.4I246 F249 I250 L256 A257 L306 I307I246-F253 HydrophobicContact CD1-CE2 3.59Å; I246-F253 HydrophobicContact CD1-CZ 3.63Å; I246-F253 HydrophobicContact CG1-CE2 4.19Å; F249-F253 HydrophobicContact CB-CD2 4.11Å; F249-F253 HydrophobicContact CB-CE2 3.72Å; F249-F253 HydrophobicContact CB-CZ 4.43Å; F249-F253 WeakPolarHBondContact O-CD2 3.44Å; F249-F253 PolarHBondContact O-N 3.46Å; I250-F253 PolarHBondContact O-N 2.91Å; I250-F253 VanDerWaalsContact O-N 3.12Å; F253-L256 PolarHBondContact O-N 3.37Å; F253-A257 VanDerWaalsContact O-CB 3.22Å; F253-A257 WeakPolarHBondContact O-CB 3.46Å; F253-A257 PolarHBondContact O-N 3.13Å; F253-L306 HydrophobicContact CD1-CD2 3.79Å; F253-L306 HydrophobicContact CE1-CB 4.28Å; F253-L306 HydrophobicContact CE1-CD2 3.6Å; F253-L306 HydrophobicContact CE1-CG 3.92Å; F253-L306 HydrophobicContact CE2-CD2 4.37Å; F253-L306 HydrophobicContact CG-CD2 4.24Å; F253-L306 HydrophobicContact CZ-CD2 3.91Å; F253-L306 HydrophobicContact CZ-CG 3.9Å; F253-I307 HydrophobicContact CE1-CG1 3.74Å; F253-I307 HydrophobicContact CZ-CG1 3.98Å
254I92.5Very high92.5Very high86 Ų8654.8 Ų54.844%0.44129%0.286SS..Hα-helixtrans-61.8-45.2175.8-66.6165.9000110.1I250 P251 A257 M258I250-I254 HydrophobicContact CG2-CD1 3.77Å; I250-I254 HydrophobicContact CG2-CG1 4.32Å; I250-I254 WeakPolarHBondContact O-CG1 3.37Å; I250-I254 PolarHBondContact O-N 2.86Å; P251-I254 PolarHBondContact O-N 3.23Å; I254-A257 PolarHBondContact O-N 3.27Å; I254-M258 WeakPolarHBondContact O-CB 3.3Å; I254-M258 WeakPolarHBondContact O-CG 3.38Å; I254-M258 PolarHBondContact O-N 3.3Å
255L90.3Very high92.7Very high39 Ų3953.5 Ų53.520%0.20429%0.286CS..Hα-helixtrans-61.9-46.2176.6-76.3178000112.6L221 A225 P251 S252 M258 G259L221-L255 HydrophobicContact CG-CD2 4.31Å; A225-L255 HydrophobicContact CB-CD1 3.51Å; A225-L255 HydrophobicContact CB-CD2 3.6Å; A225-L255 HydrophobicContact CB-CG 3.44Å; A225-L255 VanDerWaalsContact CB-CG 3.44Å; P251-L255 PolarHBondContact O-N 2.9Å; P251-L255 VanDerWaalsContact O-N 3.09Å; S252-L255 PolarHBondContact O-N 3.47Å; L255-M258 PolarHBondContact O-N 3.45Å; L255-G259 PolarHBondContact O-N 2.66Å
256L92.7Very high92.6Very high31 Ų3151.7 Ų51.716%0.16228%0.281CS..Hα-helixtrans-66-38178.6-70.7172.7000111.8S252 F253 G259 F260 V299 L302 C303 L306S252-L256 WeakPolarHBondContact O-CB 3.36Å; S252-L256 WeakPolarHBondContact O-CG 3.36Å; S252-L256 PolarHBondContact O-N 3.15Å; F253-L256 PolarHBondContact O-N 3.37Å; L256-G259 PolarHBondContact O-N 2.95Å; L256-F260 WeakPolarHBondContact O-CB 3.44Å; L256-F260 PolarHBondContact O-N 3.16Å; L256-V299 HydrophobicContact CB-CG1 4.46Å; L256-V299 HydrophobicContact CD2-CG1 4.34Å; L256-V299 WeakPolarHBondContact O-CG1 3.28Å; L256-L302 HydrophobicContact CD1-CB 4.47Å; L256-L302 HydrophobicContact CD2-CB 3.89Å; L256-L302 HydrophobicContact CD2-CD1 4.25Å; L256-C303 HydrophobicContact CD1-CB 4.33Å; L256-L306 HydrophobicContact CD1-CD2 3.82Å
257A93.1Very high92.7Very high53 Ų5350.4 Ų50.444%0.43828%0.275SS..Hα-helixtrans-64.9-43.8175.700000111.8F253 I254 F260 L261F253-A257 VanDerWaalsContact O-CB 3.22Å; F253-A257 WeakPolarHBondContact O-CB 3.46Å; F253-A257 PolarHBondContact O-N 3.13Å; I254-A257 PolarHBondContact O-N 3.27Å; A257-F260 WeakPolarHBondContact O-CB 3.46Å; A257-F260 PolarHBondContact O-N 2.93Å; A257-L261 WeakPolarHBondContact O-CG 3.25Å; A257-L261 PolarHBondContact O-N 3.39Å
258M91.1Very high92.9Very high86 Ų8650.8 Ų50.842%0.42428%0.278SS..Hα-helixtrans-64.2-42.9174.4-72.2-61-63.900111.8L221 I254 L255 F260 L261 F262L221-M258 HydrophobicContact CD2-CB 4.48Å; L221-M258 HydrophobicContact CD2-CG 4.1Å; I254-M258 WeakPolarHBondContact O-CB 3.3Å; I254-M258 WeakPolarHBondContact O-CG 3.38Å; I254-M258 PolarHBondContact O-N 3.3Å; L255-M258 PolarHBondContact O-N 3.45Å; M258-F260 VanDerWaalsContact C-N 3.32Å; M258-F260 PolarHBondContact O-N 3.21Å; M258-L261 PolarHBondContact O-N 2.81Å; M258-L261 HydrophobicContact SD-CD1 4.42Å; M258-F262 PolarHBondContact O-N 2.87Å
259G89Confident92.9Very high26 Ų2655.9 Ų55.927%0.26830%0.303SS..Hα-helixtrans-60.4-41.117400000112.4L255 L256 F262 C263L255-G259 PolarHBondContact O-N 2.66Å; L256-G259 PolarHBondContact O-N 2.95Å; G259-F262 PolarHBondContact O-N 3.46Å; G259-C263 WeakPolarHBondContact O-CB 3.34Å; G259-C263 PolarHBondContact O-N 3.48Å; G259-C263 PolarHBondContact O-SG 2.94Å
260F94.2Very high92.7Very high81 Ų8155.3 Ų55.336%0.35530%0.302SS..Hα-helixtrans-60.5-50.4174.5-178-88.8000111.3L256 A257 M258 F262 C263 F264 L296 V299 I300L256-F260 WeakPolarHBondContact O-CB 3.44Å; L256-F260 PolarHBondContact O-N 3.16Å; A257-F260 WeakPolarHBondContact O-CB 3.46Å; A257-F260 PolarHBondContact O-N 2.93Å; M258-F260 VanDerWaalsContact C-N 3.32Å; M258-F260 PolarHBondContact O-N 3.21Å; F260-F262 VanDerWaalsContact C-N 3.35Å; F260-F262 PolarHBondContact O-N 2.8Å; F260-C263 PolarHBondContact O-N 2.91Å; F260-F264 HydrophobicContact CE1-CB 4.48Å; F260-F264 WeakPolarHBondContact O-CB 3.34Å; F260-F264 PolarHBondContact O-N 3.22Å; F260-L296 HydrophobicContact CD2-CD1 3.52Å; F260-L296 HydrophobicContact CE2-CD1 3.49Å; F260-L296 VanDerWaalsContact CE2-CD1 3.49Å; F260-L296 HydrophobicContact CE2-CG 4.38Å; F260-L296 HydrophobicContact CG-CD1 4.2Å; F260-L296 HydrophobicContact CZ-CD1 4.15Å; F260-V299 HydrophobicContact CB-CG1 3.89Å; F260-V299 HydrophobicContact CD2-CG1 4.37Å; F260-I300 HydrophobicContact CE2-CG1 4.38Å
261L94.2Very high92.7Very high108 Ų10855 Ų5557%0.56530%0.3SS*.Hα-helixtrans-60-43.9179.2-71.7174.3000111.9A257 M258 F264 A265A257-L261 WeakPolarHBondContact O-CG 3.25Å; A257-L261 PolarHBondContact O-N 3.39Å; M258-L261 PolarHBondContact O-N 2.81Å; M258-L261 HydrophobicContact SD-CD1 4.42Å; L261-F264 PolarHBondContact O-N 2.97Å; L261-A265 WeakPolarHBondContact O-CB 3.29Å; L261-A265 PolarHBondContact O-N 3.29Å
262F90.4Very high92.8Very high121 Ų12159.4 Ų59.453%0.53132%0.323SS..Hα-helixtrans-63.3-47.7177.5-176.7-96.7000111.8M258 G259 F260 F264 A265 G266 Y292M258-F262 PolarHBondContact O-N 2.87Å; G259-F262 PolarHBondContact O-N 3.46Å; F260-F262 VanDerWaalsContact C-N 3.35Å; F260-F262 PolarHBondContact O-N 2.8Å; F262-F264 VanDerWaalsContact C-N 3.32Å; F262-F264 PolarHBondContact O-N 2.86Å; F262-A265 PolarHBondContact O-N 3.17Å; F262-G266 PolarHBondContact O-N 3.25Å; F262-Y292 HydrophobicContact CE1-CE1 4.29Å
263C92.5Very high92.7Very high11 Ų1160 Ų607%0.07433%0.325CS..Hα-helixtrans-65.5-36.7178.9-65.10000111.9G259 F260 L267 L296G259-C263 WeakPolarHBondContact O-CB 3.34Å; G259-C263 PolarHBondContact O-N 3.48Å; G259-C263 PolarHBondContact O-SG 2.94Å; F260-C263 PolarHBondContact O-N 2.91Å; C263-L267 VanDerWaalsContact O-CB 3.22Å; C263-L267 WeakPolarHBondContact O-CB 3.46Å; C263-L267 PolarHBondContact O-N 2.93Å; C263-L296 HydrophobicContact CB-CB 4.28Å; C263-L296 HydrophobicContact CB-CD1 4.2Å
264F95.2Very high92.5Very high107 Ų10761.1 Ų61.147%0.46933%0.329SS..Hα-helixtrans-68.7-45.9178.3-174.6-96.4000112.2F260 L261 F262 L267 T268 L296F260-F264 HydrophobicContact CE1-CB 4.48Å; F260-F264 WeakPolarHBondContact O-CB 3.34Å; F260-F264 PolarHBondContact O-N 3.22Å; L261-F264 PolarHBondContact O-N 2.97Å; F262-F264 VanDerWaalsContact C-N 3.32Å; F262-F264 PolarHBondContact O-N 2.86Å; F264-L267 PolarHBondContact O-N 2.74Å; F264-T268 PolarHBondContact O-N 2.79Å; F264-T268 PolarHBondContact O-OG1 3.04Å; F264-L296 HydrophobicContact CB-CD1 4.44Å
265A94.8Very high92.4Very high48 Ų4863.6 Ų63.640%0.39734%0.337SS..Hα-helixtrans-62.4-45.4174.300000111.1L261 F262 L267 T268 I269L261-A265 WeakPolarHBondContact O-CB 3.29Å; L261-A265 PolarHBondContact O-N 3.29Å; F262-A265 PolarHBondContact O-N 3.17Å; A265-L267 VanDerWaalsContact C-N 3.35Å; A265-L267 PolarHBondContact O-N 3.36Å; A265-T268 WeakPolarHBondContact O-CB 3.27Å; A265-T268 PolarHBondContact O-N 2.82Å; A265-I269 WeakPolarHBondContact O-CG1 3.48Å; A265-I269 PolarHBondContact O-N 3.47Å
266G92.4Very high92.4Very high7 Ų766 Ų667%0.07235%0.353CS..Hα-helixtrans-59.6-41.4174.800000113F262 I269 A270 Y292F262-G266 PolarHBondContact O-N 3.25Å; G266-I269 PolarHBondContact O-N 3.44Å; G266-A270 VanDerWaalsContact O-CB 3.25Å; G266-A270 WeakPolarHBondContact O-CB 3.42Å; G266-A270 PolarHBondContact O-N 3.3Å; G266-Y292 WeakPolarHBondContact O-CD2 3.49Å
267L94.4Very high91.9Very high28 Ų2864.8 Ų64.815%0.14735%0.347CS..Hα-helixtrans-63.7-41174.8-177.761.2000111.7C263 F264 A265 A270 L271 V289 A293 L296C263-L267 VanDerWaalsContact O-CB 3.22Å; C263-L267 WeakPolarHBondContact O-CB 3.46Å; C263-L267 PolarHBondContact O-N 2.93Å; F264-L267 PolarHBondContact O-N 2.74Å; A265-L267 VanDerWaalsContact C-N 3.35Å; A265-L267 PolarHBondContact O-N 3.36Å; L267-A270 PolarHBondContact O-N 2.89Å; L267-L271 HydrophobicContact CD1-CD1 4.39Å; L267-L271 HydrophobicContact CD1-CG 4.3Å; L267-L271 HydrophobicContact CG-CD1 4.14Å; L267-L271 HydrophobicContact CG-CG 4.48Å; L267-L271 WeakPolarHBondContact O-CB 3.26Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 3.29Å; L267-L271 PolarHBondContact O-N 2.8Å; L267-V289 HydrophobicContact CD1-CG1 4.21Å; L267-A293 HydrophobicContact CD1-CB 4.22Å; L267-L296 HydrophobicContact CD2-CD2 3.98Å
268T94.7Very high91.3Very high58 Ų5870.7 Ų70.736%0.35636%0.363SS..Hα-helixtrans-63.2-46.3177.8-56.90000110.6F264 A265 A270 L271 I272F264-T268 PolarHBondContact O-N 2.79Å; F264-T268 PolarHBondContact O-OG1 3.04Å; A265-T268 WeakPolarHBondContact O-CB 3.27Å; A265-T268 PolarHBondContact O-N 2.82Å; T268-A270 PolarHBondContact O-N 3.42Å; T268-L271 PolarHBondContact O-N 3.03Å; T268-I272 HydrophobicContact CG2-CD1 4.06Å; T268-I272 VanDerWaalsContact O-CG1 3.27Å; T268-I272 WeakPolarHBondContact O-CG1 3.49Å; T268-I272 PolarHBondContact O-N 3.44Å
269I93.4Very high91Very high109 Ų10974.3 Ų74.356%0.55938%0.377SS*.Hα-helixtrans-63.2-41.9175.3-65.3168.3000110.9A265 G266 L271 I272 T273A265-I269 WeakPolarHBondContact O-CG1 3.48Å; A265-I269 PolarHBondContact O-N 3.47Å; G266-I269 PolarHBondContact O-N 3.44Å; I269-L271 PolarHBondContact O-N 3.38Å; I269-I272 PolarHBondContact O-N 2.94Å; I269-T273 VanDerWaalsContact O-CB 3.32Å; I269-T273 WeakPolarHBondContact O-CB 3.3Å; I269-T273 PolarHBondContact O-N 3.41Å; I269-T273 PolarHBondContact O-OG1 3.37Å
270A90.8Very high90.7Very high5 Ų574.7 Ų74.74%0.04137%0.373CS..Hα-helixtrans-64.2-39.8178.200000112G266 L267 T268 T273 Y274 V289 Y292G266-A270 VanDerWaalsContact O-CB 3.25Å; G266-A270 WeakPolarHBondContact O-CB 3.42Å; G266-A270 PolarHBondContact O-N 3.3Å; L267-A270 PolarHBondContact O-N 2.89Å; T268-A270 PolarHBondContact O-N 3.42Å; A270-T273 PolarHBondContact O-N 3.34Å; A270-Y274 VanDerWaalsContact O-CB 3.25Å; A270-Y274 WeakPolarHBondContact O-CB 3.21Å; A270-Y274 PolarHBondContact O-N 3.3Å; A270-V289 HydrophobicContact CB-CG2 3.91Å; A270-Y292 HydrophobicContact CB-CD2 3.84Å; A270-Y292 HydrophobicContact CB-CE2 4.32Å
271L93.7Very high90.2Very high71 Ų7174.7 Ų74.737%0.37238%0.381SS..Hα-helixtrans-67.2-45.6174.8-74.6172000111.5L267 T268 I269 T273 Y274 F275 V289L267-L271 HydrophobicContact CD1-CD1 4.39Å; L267-L271 HydrophobicContact CD1-CG 4.3Å; L267-L271 HydrophobicContact CG-CD1 4.14Å; L267-L271 HydrophobicContact CG-CG 4.48Å; L267-L271 WeakPolarHBondContact O-CB 3.26Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 3.29Å; L267-L271 PolarHBondContact O-N 2.8Å; T268-L271 PolarHBondContact O-N 3.03Å; I269-L271 PolarHBondContact O-N 3.38Å; L271-T273 VanDerWaalsContact C-N 3.32Å; L271-T273 PolarHBondContact O-N 3.13Å; L271-Y274 WeakPolarHBondContact O-CB 3.47Å; L271-Y274 PolarHBondContact O-N 3.33Å; L271-F275 HydrophobicContact CD2-CE2 4.45Å; L271-F275 WeakPolarHBondContact O-CD2 3.43Å; L271-F275 PolarHBondContact O-N 3.01Å; L271-F275 VanDerWaalsContact O-N 3.11Å; L271-V289 HydrophobicContact CD2-CG1 4.11Å; L271-V289 HydrophobicContact CD2-CG2 4.45Å
272I93.3Very high89.6Confident96 Ų9673.1 Ų73.149%0.49238%0.375SS..Hα-helixtrans-56.1-51174.1-68.2165.6000109.3T268 I269 Y274 F275 T276T268-I272 HydrophobicContact CG2-CD1 4.06Å; T268-I272 VanDerWaalsContact O-CG1 3.27Å; T268-I272 WeakPolarHBondContact O-CG1 3.49Å; T268-I272 PolarHBondContact O-N 3.44Å; I269-I272 PolarHBondContact O-N 2.94Å; I272-Y274 VanDerWaalsContact C-N 3.3Å; I272-Y274 PolarHBondContact O-N 2.98Å; I272-F275 PolarHBondContact O-N 3.32Å; I272-F275 VanDerWaalsContact O-N 3.13Å; I272-T276 HydrophobicContact CG2-CG2 4.13Å; I272-T276 WeakPolarHBondContact O-CB 3.44Å; I272-T276 WeakPolarHBondContact O-CG2 3.45Å; I272-T276 PolarHBondContact O-N 3.29Å; I272-T276 PolarHBondContact O-OG1 3.18Å
273T89.7Confident89.2Confident42 Ų4271 Ų7126%0.25838%0.381SS..Hα-helixtrans-61.1-38179-54.80000112.1I269 A270 L271 F275 A277 I280I269-T273 VanDerWaalsContact O-CB 3.32Å; I269-T273 WeakPolarHBondContact O-CB 3.3Å; I269-T273 PolarHBondContact O-N 3.41Å; I269-T273 PolarHBondContact O-OG1 3.37Å; A270-T273 PolarHBondContact O-N 3.34Å; L271-T273 VanDerWaalsContact C-N 3.32Å; L271-T273 PolarHBondContact O-N 3.13Å; T273-F275 VanDerWaalsContact C-N 3.29Å; T273-F275 PolarHBondContact O-N 2.98Å; T273-A277 HydrophobicContact CG2-CB 3.71Å; T273-A277 WeakPolarHBondContact O-CB 3.49Å; T273-A277 PolarHBondContact O-N 3Å; T273-I280 HydrophobicContact CG2-CD1 3.99Å
274Y89.5Confident88.7Confident70 Ų7074 Ų7428%0.27539%0.393SS..Hα-helixtrans-59.7-40.9176.6-177.7-93000111.8A270 L271 I272 R285 R286 V289A270-Y274 VanDerWaalsContact O-CB 3.25Å; A270-Y274 WeakPolarHBondContact O-CB 3.21Å; A270-Y274 PolarHBondContact O-N 3.3Å; L271-Y274 WeakPolarHBondContact O-CB 3.47Å; L271-Y274 PolarHBondContact O-N 3.33Å; I272-Y274 VanDerWaalsContact C-N 3.3Å; I272-Y274 PolarHBondContact O-N 2.98Å; Y274-R285 HydrophobicContact CD2-CB 3.9Å; Y274-R285 PolarHBondContact O-NH1 3.06Å; Y274-R286 HydrophobicContact CE2-CG 3.76Å; Y274-V289 HydrophobicContact CD2-CG2 4.32Å; Y274-V289 HydrophobicContact CG-CG2 4.41Å
275F90.8Very high88.1Confident139 Ų13970.2 Ų70.261%0.6138%0.376SS*.Hα-helixtrans-86.6-30.4-179.2-68.1-64.3000114.2L271 I272 T273L271-F275 HydrophobicContact CD2-CE2 4.45Å; L271-F275 WeakPolarHBondContact O-CD2 3.43Å; L271-F275 PolarHBondContact O-N 3.01Å; L271-F275 VanDerWaalsContact O-N 3.11Å; I272-F275 PolarHBondContact O-N 3.32Å; I272-F275 VanDerWaalsContact O-N 3.13Å; T273-F275 VanDerWaalsContact C-N 3.29Å; T273-F275 PolarHBondContact O-N 2.98Å
276T90.2Very high87.7Confident88 Ų8875 Ų7554%0.5438%0.384SS..Hα-helixtrans-100.5-31.9-172.962.70000114.3I272 F278I272-T276 HydrophobicContact CG2-CG2 4.13Å; I272-T276 WeakPolarHBondContact O-CB 3.44Å; I272-T276 WeakPolarHBondContact O-CG2 3.45Å; I272-T276 PolarHBondContact O-N 3.29Å; I272-T276 PolarHBondContact O-OG1 3.18Å; T276-F278 WeakPolarHBondContact O-CD2 3.43Å; T276-F278 PolarHBondContact O-N 2.96Å
277A83.2Confident87.4Confident6 Ų680.6 Ų80.65%0.0541%0.411CS..  trans-88.776.8-170.900000111.8T273 F279 I280 R285T273-A277 HydrophobicContact CG2-CB 3.71Å; T273-A277 WeakPolarHBondContact O-CB 3.49Å; T273-A277 PolarHBondContact O-N 3Å; A277-F279 HydrophobicContact CB-CD1 4.31Å; A277-F279 HydrophobicContact CB-CE1 3.77Å; A277-F279 HydrophobicContact CB-CZ 4.02Å; A277-F279 PolarHBondContact O-N 3.44Å; A277-I280 HydrophobicContact CB-CD1 3.75Å; A277-I280 HydrophobicContact CB-CG1 4.03Å; A277-I280 PolarHBondContact O-N 2.91Å; A277-R285 WeakPolarHBondContact O-CD 3.41Å; A277-R285 PolarHBondContact O-NH1 3.48Å
278F81Confident87Confident177 Ų17781 Ų8178%0.77642%0.416SS*.THydrogen-bonded Turntrans-65.6-20.2178.5-66.7-79.1000114.1T276 I280T276-F278 WeakPolarHBondContact O-CD2 3.43Å; T276-F278 PolarHBondContact O-N 2.96Å; F278-I280 VanDerWaalsContact C-N 3.31Å
279F84.1Confident86.8Confident163 Ų16379.6 Ų79.672%0.71541%0.408SS*.THydrogen-bonded Turntrans-77.3-13.9178.961.7-88.9000113.7A277A277-F279 HydrophobicContact CB-CD1 4.31Å; A277-F279 HydrophobicContact CB-CE1 3.77Å; A277-F279 HydrophobicContact CB-CZ 4.02Å; A277-F279 PolarHBondContact O-N 3.44Å
280I81.7Confident86.6Confident34 Ų3477.8 Ų77.817%0.17440%0.404CS..SBendtrans-94.5132.4179.9-54.5178.1000109.5T273 A277 F278 V282 Q284 R285T273-I280 HydrophobicContact CG2-CD1 3.99Å; A277-I280 HydrophobicContact CB-CD1 3.75Å; A277-I280 HydrophobicContact CB-CG1 4.03Å; A277-I280 PolarHBondContact O-N 2.91Å; F278-I280 VanDerWaalsContact C-N 3.31Å; I280-V282 PolarHBondContact O-N 3.35Å; I280-Q284 HydrophobicContact CG2-CB 4Å; I280-Q284 HydrophobicContact CG2-CG 4.11Å; I280-R285 HydrophobicContact CB-CG 3.83Å; I280-R285 HydrophobicContact CG2-CG 3.69Å; I280-R285 PolarHBondContact O-NE 2.88Å; I280-R285 VanDerWaalsContact O-NE 3.15Å
281P84.3Confident86.5Confident81 Ų8183.2 Ų83.253%0.52642%0.424SS..  trans-51.4137.1175.2-26.934.2000112.6A283 Q284 R285P281-A283 PolarHBondContact O-N 2.83Å; P281-A283 VanDerWaalsContact O-N 3.11Å; P281-Q284 PolarHBondContact O-N 3.47Å; P281-R285 PolarHBondContact O-N 3.27Å
282V82.5Confident86.4Confident74 Ų7482.1 Ų82.145%0.44842%0.416SS..Hα-helixtrans-52.5-38.1-178.4-178.70000112I280 Q284 R285 R286I280-V282 PolarHBondContact O-N 3.35Å; V282-Q284 PolarHBondContact O-N 3.44Å; V282-R285 VanDerWaalsContact CG2-NH2 3.32Å; V282-R285 PolarHBondContact O-N 2.93Å; V282-R286 HydrophobicContact CG1-CG 4.36Å; V282-R286 WeakPolarHBondContact O-CG 3.48Å; V282-R286 PolarHBondContact O-N 3.45Å
283A81.7Confident86.4Confident78 Ų7879.5 Ų79.565%0.64541%0.409SS*.Hα-helixtrans-60.9-44.3179.900000112.8P281 R286 L287P281-A283 PolarHBondContact O-N 2.83Å; P281-A283 VanDerWaalsContact O-N 3.11Å; A283-R286 PolarHBondContact O-N 2.9Å; A283-L287 PolarHBondContact O-N 3.33Å; A283-L287 VanDerWaalsContact O-N 3.13Å
284Q80.9Confident86.5Confident72 Ų7278 Ų7834%0.33640%0.4SS..Hα-helixtrans-70.1-38.7-180-175.9172.8-5.600111.5I280 P281 V282 L287 S288I280-Q284 HydrophobicContact CG2-CB 4Å; I280-Q284 HydrophobicContact CG2-CG 4.11Å; P281-Q284 PolarHBondContact O-N 3.47Å; V282-Q284 PolarHBondContact O-N 3.44Å; Q284-L287 PolarHBondContact O-N 3.11Å; Q284-S288 PolarHBondContact O-N 3.42Å
285R83.4Confident86.5Confident28 Ų2876.7 Ų76.711%0.10640%0.396CS..Hα-helixtrans-61.4-46.5175-62.9-174.6-67.2178.16.1111.4Y274 A277 I280 P281 V282 L287 S288 V289Y274-R285 HydrophobicContact CD2-CB 3.9Å; Y274-R285 PolarHBondContact O-NH1 3.06Å; A277-R285 WeakPolarHBondContact O-CD 3.41Å; A277-R285 PolarHBondContact O-NH1 3.48Å; I280-R285 HydrophobicContact CB-CG 3.83Å; I280-R285 HydrophobicContact CG2-CG 3.69Å; I280-R285 PolarHBondContact O-NE 2.88Å; I280-R285 VanDerWaalsContact O-NE 3.15Å; P281-R285 PolarHBondContact O-N 3.27Å; V282-R285 VanDerWaalsContact CG2-NH2 3.32Å; V282-R285 PolarHBondContact O-N 2.93Å; R285-L287 VanDerWaalsContact C-N 3.33Å; R285-L287 PolarHBondContact O-N 3.3Å; R285-S288 PolarHBondContact O-N 2.82Å; R285-S288 PolarHBondContact O-OG 3.36Å; R285-V289 PolarHBondContact O-N 3.3Å
286R85.8Confident86.7Confident148 Ų14871.3 Ų71.356%0.55837%0.374SS*.Hα-helixtrans-59.7-41.2177.3-76-177.1167.4-164.8-4.2112.6Y274 V282 A283 S288 V289 C290Y274-R286 HydrophobicContact CE2-CG 3.76Å; V282-R286 HydrophobicContact CG1-CG 4.36Å; V282-R286 WeakPolarHBondContact O-CG 3.48Å; V282-R286 PolarHBondContact O-N 3.45Å; A283-R286 PolarHBondContact O-N 2.9Å; R286-S288 VanDerWaalsContact C-N 3.32Å; R286-S288 PolarHBondContact O-N 2.89Å; R286-V289 PolarHBondContact O-N 3.49Å; R286-C290 WeakPolarHBondContact O-CB 3.2Å; R286-C290 PolarHBondContact O-N 2.96Å; R286-C290 PolarHBondContact O-SG 2.86Å; R286-C290 VanDerWaalsContact O-SG 3.35Å
287L85.5Confident86.9Confident125 Ų12570.5 Ų70.565%0.65437%0.366SS*.Hα-helixtrans-58.9-44-179.3-174.164.5000111.9A283 Q284 R285 C290 Y291A283-L287 PolarHBondContact O-N 3.33Å; A283-L287 VanDerWaalsContact O-N 3.13Å; Q284-L287 PolarHBondContact O-N 3.11Å; R285-L287 VanDerWaalsContact C-N 3.33Å; R285-L287 PolarHBondContact O-N 3.3Å; L287-C290 PolarHBondContact O-N 2.63Å; L287-Y291 VanDerWaalsContact O-CB 3.24Å; L287-Y291 WeakPolarHBondContact O-CB 3.39Å; L287-Y291 PolarHBondContact O-N 2.84Å
288S86.5Confident87.4Confident36 Ų3671 Ų7125%0.25237%0.368SS..Hα-helixtrans-62.3-44.6177.870.60000112.7Q284 R285 R286 Y291 Y292Q284-S288 PolarHBondContact O-N 3.42Å; R285-S288 PolarHBondContact O-N 2.82Å; R285-S288 PolarHBondContact O-OG 3.36Å; R286-S288 VanDerWaalsContact C-N 3.32Å; R286-S288 PolarHBondContact O-N 2.89Å; S288-Y291 PolarHBondContact O-N 3.28Å; S288-Y292 WeakPolarHBondContact O-CD2 3.48Å; S288-Y292 PolarHBondContact O-N 3.45Å
289V90.4Very high88Confident29 Ų2963.5 Ų63.518%0.17634%0.336CS..Hα-helixtrans-64.3-47.5178.2177.10000110.5L267 A270 L271 Y274 R285 R286 Y291 Y292 A293L267-V289 HydrophobicContact CD1-CG1 4.21Å; A270-V289 HydrophobicContact CB-CG2 3.91Å; L271-V289 HydrophobicContact CD2-CG1 4.11Å; L271-V289 HydrophobicContact CD2-CG2 4.45Å; Y274-V289 HydrophobicContact CD2-CG2 4.32Å; Y274-V289 HydrophobicContact CG-CG2 4.41Å; R285-V289 PolarHBondContact O-N 3.3Å; R286-V289 PolarHBondContact O-N 3.49Å; V289-Y291 VanDerWaalsContact C-N 3.28Å; V289-Y291 PolarHBondContact O-N 3.35Å; V289-Y292 PolarHBondContact O-N 2.9Å; V289-A293 WeakPolarHBondContact O-CB 3.32Å; V289-A293 PolarHBondContact O-N 2.92Å
290C89.5Confident88.5Confident72 Ų7259.6 Ų59.649%0.48632%0.321SS..Hα-helixtrans-60.5-38.5176.9-70.60000112.1R286 L287 S294R286-C290 WeakPolarHBondContact O-CB 3.2Å; R286-C290 PolarHBondContact O-N 2.96Å; R286-C290 PolarHBondContact O-SG 2.86Å; R286-C290 VanDerWaalsContact O-SG 3.35Å; L287-C290 PolarHBondContact O-N 2.63Å; C290-S294 VanDerWaalsContact O-CB 3.28Å; C290-S294 WeakPolarHBondContact O-CB 3.31Å; C290-S294 PolarHBondContact O-N 3.48Å; C290-S294 PolarHBondContact O-OG 3.1Å; C290-S294 VanDerWaalsContact O-OG 3.13Å
291Y88.4Confident89.2Confident118 Ų11860.9 Ų60.946%0.46333%0.326SS..Hα-helixtrans-64-52.8178.2176.7-92.8000112.1L287 S288 V289 S294 H295L287-Y291 VanDerWaalsContact O-CB 3.24Å; L287-Y291 WeakPolarHBondContact O-CB 3.39Å; L287-Y291 PolarHBondContact O-N 2.84Å; S288-Y291 PolarHBondContact O-N 3.28Å; V289-Y291 VanDerWaalsContact C-N 3.28Å; V289-Y291 PolarHBondContact O-N 3.35Å; Y291-S294 PolarHBondContact O-N 2.67Å; Y291-S294 PolarHBondContact O-OG 2.98Å; Y291-H295 AromaticContact CD2-CE1 3.53Å; Y291-H295 AromaticContact CD2-ND1 3.85Å; Y291-H295 AromaticContact CE2-CE1 3.08Å; Y291-H295 WeakPolarHBondContact CE2-CE1 3.35Å; Y291-H295 AromaticContact CE2-ND1 3.73Å; Y291-H295 AromaticContact CE2-NE2 3.69Å; Y291-H295 AromaticContact CZ-CE1 3.4Å; Y291-H295 AromaticContact CZ-ND1 3.83Å; Y291-H295 AromaticContact CZ-NE2 3.66Å; Y291-H295 PolarHBondContact O-N 2.96Å; Y291-H295 PolarHBondContact O-ND1 3.45Å
292Y92.5Very high89.7Confident48 Ų4859.5 Ų59.519%0.18831%0.314CS..Hα-helixtrans-69.5-36.6-179.9-71-67.3000112.3F262 G266 A270 S288 V289 H295 L296F262-Y292 HydrophobicContact CE1-CE1 4.29Å; G266-Y292 WeakPolarHBondContact O-CD2 3.49Å; A270-Y292 HydrophobicContact CB-CD2 3.84Å; A270-Y292 HydrophobicContact CB-CE2 4.32Å; S288-Y292 WeakPolarHBondContact O-CD2 3.48Å; S288-Y292 PolarHBondContact O-N 3.45Å; V289-Y292 PolarHBondContact O-N 2.9Å; Y292-H295 PolarHBondContact O-N 2.97Å; Y292-L296 WeakPolarHBondContact O-CB 3.45Å; Y292-L296 PolarHBondContact O-N 3.22Å
293A92.8Very high90.3Very high42 Ų4257.9 Ų57.935%0.34731%0.306SS..Hα-helixtrans-63.4-41.3175.700000111.7L267 V289 L297L267-A293 HydrophobicContact CD1-CB 4.22Å; V289-A293 WeakPolarHBondContact O-CB 3.32Å; V289-A293 PolarHBondContact O-N 2.92Å; A293-L297 WeakPolarHBondContact O-CB 3.4Å; A293-L297 PolarHBondContact O-N 3.46Å; A293-L297 VanDerWaalsContact O-N 3.11Å
294S91.8Very high90.9Very high11 Ų1157 Ų578%0.07729%0.292CS..Hα-helixtrans-69.1-40.5177.769.40000112.6C290 Y291 L297 I298C290-S294 VanDerWaalsContact O-CB 3.28Å; C290-S294 WeakPolarHBondContact O-CB 3.31Å; C290-S294 PolarHBondContact O-N 3.48Å; C290-S294 PolarHBondContact O-OG 3.1Å; C290-S294 VanDerWaalsContact O-OG 3.13Å; Y291-S294 PolarHBondContact O-N 2.67Å; Y291-S294 PolarHBondContact O-OG 2.98Å; S294-L297 PolarHBondContact O-N 3.46Å; S294-I298 VanDerWaalsContact O-CG1 3.31Å; S294-I298 WeakPolarHBondContact O-CG1 3.36Å; S294-I298 PolarHBondContact O-N 3.35Å
295H90.2Very high91.6Very high42 Ų4254 Ų5419%0.19428%0.279CS..Hα-helixtrans-66.5-39176.6-75.868.1000112Y291 Y292 L297 I298 V299Y291-H295 AromaticContact CD2-CE1 3.53Å; Y291-H295 AromaticContact CD2-ND1 3.85Å; Y291-H295 AromaticContact CE2-CE1 3.08Å; Y291-H295 WeakPolarHBondContact CE2-CE1 3.35Å; Y291-H295 AromaticContact CE2-ND1 3.73Å; Y291-H295 AromaticContact CE2-NE2 3.69Å; Y291-H295 AromaticContact CZ-CE1 3.4Å; Y291-H295 AromaticContact CZ-ND1 3.83Å; Y291-H295 AromaticContact CZ-NE2 3.66Å; Y291-H295 PolarHBondContact O-N 2.96Å; Y291-H295 PolarHBondContact O-ND1 3.45Å; Y292-H295 PolarHBondContact O-N 2.97Å; H295-L297 VanDerWaalsContact C-N 3.29Å; H295-L297 PolarHBondContact O-N 2.92Å; H295-I298 WeakPolarHBondContact O-CB 3.08Å; H295-I298 PolarHBondContact O-N 3.39Å; H295-V299 WeakPolarHBondContact O-CG2 3.38Å; H295-V299 PolarHBondContact O-N 3.36Å
296L93.9Very high92.1Very high25 Ų2553.7 Ų53.713%0.13128%0.28CS..Hα-helixtrans-59.1-44.2173.3-171.969.4000111.1F260 C263 F264 L267 Y292 V299 I300F260-L296 HydrophobicContact CD2-CD1 3.52Å; F260-L296 HydrophobicContact CE2-CD1 3.49Å; F260-L296 VanDerWaalsContact CE2-CD1 3.49Å; F260-L296 HydrophobicContact CE2-CG 4.38Å; F260-L296 HydrophobicContact CG-CD1 4.2Å; F260-L296 HydrophobicContact CZ-CD1 4.15Å; C263-L296 HydrophobicContact CB-CB 4.28Å; C263-L296 HydrophobicContact CB-CD1 4.2Å; F264-L296 HydrophobicContact CB-CD1 4.44Å; L267-L296 HydrophobicContact CD2-CD2 3.98Å; Y292-L296 WeakPolarHBondContact O-CB 3.45Å; Y292-L296 PolarHBondContact O-N 3.22Å; L296-V299 PolarHBondContact O-N 2.84Å; L296-I300 HydrophobicContact CG-CD1 4.29Å; L296-I300 VanDerWaalsContact O-CG1 3.32Å; L296-I300 WeakPolarHBondContact O-CG1 3.17Å; L296-I300 PolarHBondContact O-N 3.35Å
297L94.4Very high92.5Very high72 Ų7250 Ų5038%0.37727%0.27SS..Hα-helixtrans-65.8-41.2178.5-168.9166.6000111.6A293 S294 H295 V299 I300 F301 L337A293-L297 WeakPolarHBondContact O-CB 3.4Å; A293-L297 PolarHBondContact O-N 3.46Å; A293-L297 VanDerWaalsContact O-N 3.11Å; S294-L297 PolarHBondContact O-N 3.46Å; H295-L297 VanDerWaalsContact C-N 3.29Å; H295-L297 PolarHBondContact O-N 2.92Å; L297-V299 PolarHBondContact O-N 2.86Å; L297-I300 PolarHBondContact O-N 2.91Å; L297-F301 HydrophobicContact CD2-CD2 3.34Å; L297-F301 HydrophobicContact CD2-CE2 3.08Å; L297-F301 HydrophobicContact CD2-CG 4.23Å; L297-F301 HydrophobicContact CD2-CZ 3.78Å; L297-F301 HydrophobicContact CG-CE2 4.32Å; L297-F301 PolarHBondContact O-N 3.09Å; L297-L337 HydrophobicContact CD2-CD1 3.22Å; L297-L337 HydrophobicContact CG-CD1 4.4Å
298I93.5Very high92.8Very high17 Ų1746.3 Ų46.39%0.08725%0.251CS..Hα-helixtrans-56.2-48.7171.8-73.2165.5000110.7S294 H295 I300 F301 L302 L337 Y338S294-I298 VanDerWaalsContact O-CG1 3.31Å; S294-I298 WeakPolarHBondContact O-CG1 3.36Å; S294-I298 PolarHBondContact O-N 3.35Å; H295-I298 WeakPolarHBondContact O-CB 3.08Å; H295-I298 PolarHBondContact O-N 3.39Å; I298-I300 VanDerWaalsContact C-N 3.34Å; I298-I300 PolarHBondContact O-N 2.82Å; I298-F301 PolarHBondContact O-N 3.23Å; I298-L302 HydrophobicContact CG2-CD1 3.88Å; I298-L302 HydrophobicContact CG2-CG 4.42Å; I298-L302 WeakPolarHBondContact O-CG 3.2Å; I298-L302 PolarHBondContact O-N 3.29Å; I298-L337 HydrophobicContact CD1-CB 4.2Å; I298-L337 HydrophobicContact CG1-CB 4Å; I298-Y338 HydrophobicContact CD1-CD2 4.49Å
299V94.1Very high93.1Very high18 Ų1847.4 Ų47.411%0.10925%0.254CS..Hα-helixtrans-62-41.1179.5173.10000111.5L256 F260 H295 L296 L297 F301 L302 C303L256-V299 HydrophobicContact CB-CG1 4.46Å; L256-V299 HydrophobicContact CD2-CG1 4.34Å; L256-V299 WeakPolarHBondContact O-CG1 3.28Å; F260-V299 HydrophobicContact CB-CG1 3.89Å; F260-V299 HydrophobicContact CD2-CG1 4.37Å; H295-V299 WeakPolarHBondContact O-CG2 3.38Å; H295-V299 PolarHBondContact O-N 3.36Å; L296-V299 PolarHBondContact O-N 2.84Å; L297-V299 PolarHBondContact O-N 2.86Å; V299-F301 PolarHBondContact O-N 2.81Å; V299-L302 PolarHBondContact O-N 3.05Å; V299-C303 VanDerWaalsContact O-CB 3.27Å; V299-C303 WeakPolarHBondContact O-CB 3.33Å; V299-C303 PolarHBondContact O-N 2.96Å
300I95.1Very high93.2Very high81 Ų8146 Ų4642%0.41525%0.245SC..Hα-helixtrans-61-45.6176.5-69.9165.1000110.9F260 L296 L297 I298 C303 T304F260-I300 HydrophobicContact CE2-CG1 4.38Å; L296-I300 HydrophobicContact CG-CD1 4.29Å; L296-I300 VanDerWaalsContact O-CG1 3.32Å; L296-I300 WeakPolarHBondContact O-CG1 3.17Å; L296-I300 PolarHBondContact O-N 3.35Å; L297-I300 PolarHBondContact O-N 2.91Å; I298-I300 VanDerWaalsContact C-N 3.34Å; I298-I300 PolarHBondContact O-N 2.82Å; I300-C303 PolarHBondContact O-N 2.84Å; I300-T304 WeakPolarHBondContact O-CB 3.33Å; I300-T304 PolarHBondContact O-N 3.14Å; I300-T304 PolarHBondContact O-OG1 2.84Å
301F96.3Very high93.4Very high62 Ų6245.3 Ų45.327%0.27224%0.236SC..Hα-helixtrans-66-41.8178.2-77-29.7000112.9L297 I298 V299 T304 S305 P330 F333 L337L297-F301 HydrophobicContact CD2-CD2 3.34Å; L297-F301 HydrophobicContact CD2-CE2 3.08Å; L297-F301 HydrophobicContact CD2-CG 4.23Å; L297-F301 HydrophobicContact CD2-CZ 3.78Å; L297-F301 HydrophobicContact CG-CE2 4.32Å; L297-F301 PolarHBondContact O-N 3.09Å; I298-F301 PolarHBondContact O-N 3.23Å; V299-F301 PolarHBondContact O-N 2.81Å; F301-T304 PolarHBondContact O-N 3.5Å; F301-S305 PolarHBondContact O-N 3.49Å; F301-S305 PolarHBondContact O-OG 2.83Å; F301-P330 HydrophobicContact CB-CB 3.96Å; F301-P330 WeakPolarHBondContact CB-O 3.28Å; F301-P330 HydrophobicContact CD1-CB 4.22Å; F301-P330 HydrophobicContact CG-CB 4.32Å; F301-P330 VanDerWaalsContact O-CB 3.29Å; F301-P330 WeakPolarHBondContact O-CB 3.32Å; F301-F333 HydrophobicContact CD2-CB 3.88Å; F301-F333 HydrophobicContact CE2-CB 3.75Å; F301-F333 HydrophobicContact CE2-CG 4.41Å; F301-F333 HydrophobicContact CZ-CB 4.49Å; F301-L337 HydrophobicContact CD2-CD1 4.31Å; F301-L337 HydrophobicContact CE2-CD1 4.07Å
302L94.7Very high93.5Very high52 Ų5241.9 Ų41.927%0.27222%0.222SC..Hα-helixtrans-64.7-39.5175.9-70.7175.2000112.3L256 I298 V299 S305 L306 S334L256-L302 HydrophobicContact CD1-CB 4.47Å; L256-L302 HydrophobicContact CD2-CB 3.89Å; L256-L302 HydrophobicContact CD2-CD1 4.25Å; I298-L302 HydrophobicContact CG2-CD1 3.88Å; I298-L302 HydrophobicContact CG2-CG 4.42Å; I298-L302 WeakPolarHBondContact O-CG 3.2Å; I298-L302 PolarHBondContact O-N 3.29Å; V299-L302 PolarHBondContact O-N 3.05Å; L302-S305 PolarHBondContact O-OG 3.3Å; L302-L306 WeakPolarHBondContact O-CB 3.32Å; L302-L306 PolarHBondContact O-N 2.85Å; L302-S334 WeakPolarHBondContact CD2-OG 3.18Å
303C95.4Very high93.4Very high40 Ų4043 Ų4327%0.2723%0.231SC..Hα-helixtrans-63.9-44.2174.6-171.20000111L256 V299 I300 S305 L306 I307L256-C303 HydrophobicContact CD1-CB 4.33Å; V299-C303 VanDerWaalsContact O-CB 3.27Å; V299-C303 WeakPolarHBondContact O-CB 3.33Å; V299-C303 PolarHBondContact O-N 2.96Å; I300-C303 PolarHBondContact O-N 2.84Å; C303-S305 PolarHBondContact O-N 2.97Å; C303-L306 PolarHBondContact O-N 3.34Å; C303-I307 VanDerWaalsContact O-CG1 3.3Å; C303-I307 WeakPolarHBondContact O-CG1 3.46Å; C303-I307 PolarHBondContact O-N 3.41Å
304T94.4Very high93.4Very high59 Ų5942.6 Ų42.636%0.36222%0.223SC..Hα-helixtrans-59.9-47.7178.2-56.70000111.6I300 F301 I307 L308 P330I300-T304 WeakPolarHBondContact O-CB 3.33Å; I300-T304 PolarHBondContact O-N 3.14Å; I300-T304 PolarHBondContact O-OG1 2.84Å; F301-T304 PolarHBondContact O-N 3.5Å; T304-I307 PolarHBondContact O-N 2.93Å; T304-L308 HydrophobicContact CG2-CD1 4.07Å; T304-L308 WeakPolarHBondContact O-CB 3.49Å; T304-L308 VanDerWaalsContact O-CG 3.26Å; T304-L308 WeakPolarHBondContact O-CG 3.38Å; T304-L308 PolarHBondContact O-N 3.35Å; T304-P330 HydrophobicContact CG2-CG 4.39Å
305S94.3Very high93.1Very high10 Ų1044.8 Ų44.87%0.0725%0.248CC..Hα-helixtrans-66.3-37.9178.257.30000112.7F301 L302 C303 L308 L309 I327 V331F301-S305 PolarHBondContact O-N 3.49Å; F301-S305 PolarHBondContact O-OG 2.83Å; L302-S305 PolarHBondContact O-OG 3.3Å; C303-S305 PolarHBondContact O-N 2.97Å; S305-L308 PolarHBondContact O-N 2.93Å; S305-L309 WeakPolarHBondContact O-CB 3.32Å; S305-L309 PolarHBondContact O-N 3.05Å; S305-I327 WeakPolarHBondContact CB-O 3.12Å; S305-V331 WeakPolarHBondContact OG-CG2 3.15Å
306L94Very high93.1Very high21 Ų2150.3 Ų50.311%0.1127%0.268CS..Hα-helixtrans-65.2-41.6177.8-17265.1000112F249 F253 L256 L302 C303 L309 G310F249-L306 HydrophobicContact CB-CD1 4.07Å; F249-L306 HydrophobicContact CB-CD2 4.3Å; F249-L306 HydrophobicContact CB-CG 4.24Å; F249-L306 HydrophobicContact CD1-CD1 3.78Å; F249-L306 HydrophobicContact CD2-CD1 4.07Å; F249-L306 HydrophobicContact CE1-CD1 4.21Å; F249-L306 HydrophobicContact CE2-CD1 4.47Å; F249-L306 HydrophobicContact CG-CD1 3.72Å; F249-L306 HydrophobicContact CG-CG 4.34Å; F253-L306 HydrophobicContact CD1-CD2 3.79Å; F253-L306 HydrophobicContact CE1-CB 4.28Å; F253-L306 HydrophobicContact CE1-CD2 3.6Å; F253-L306 HydrophobicContact CE1-CG 3.92Å; F253-L306 HydrophobicContact CE2-CD2 4.37Å; F253-L306 HydrophobicContact CG-CD2 4.24Å; F253-L306 HydrophobicContact CZ-CD2 3.91Å; F253-L306 HydrophobicContact CZ-CG 3.9Å; L256-L306 HydrophobicContact CD1-CD2 3.82Å; L302-L306 WeakPolarHBondContact O-CB 3.32Å; L302-L306 PolarHBondContact O-N 2.85Å; C303-L306 PolarHBondContact O-N 3.34Å; L306-L309 PolarHBondContact O-N 3.39Å; L306-G310 PolarHBondContact O-N 2.74Å
307I94.1Very high92.8Very high71 Ų7151.6 Ų51.636%0.36428%0.275SS..Hα-helixtrans-62.5-50.4174.2-67.9168.9000110.2F253 C303 T304 L309 G310 L311F253-I307 HydrophobicContact CE1-CG1 3.74Å; F253-I307 HydrophobicContact CZ-CG1 3.98Å; C303-I307 VanDerWaalsContact O-CG1 3.3Å; C303-I307 WeakPolarHBondContact O-CG1 3.46Å; C303-I307 PolarHBondContact O-N 3.41Å; T304-I307 PolarHBondContact O-N 2.93Å; I307-L309 VanDerWaalsContact C-N 3.29Å; I307-L309 PolarHBondContact O-N 3.47Å; I307-G310 PolarHBondContact O-N 3.38Å; I307-L311 HydrophobicContact CG2-CD1 3.81Å; I307-L311 HydrophobicContact CG2-CG 4.26Å; I307-L311 WeakPolarHBondContact O-CB 3.31Å; I307-L311 VanDerWaalsContact O-CG 3.29Å; I307-L311 WeakPolarHBondContact O-CG 3.41Å; I307-L311 PolarHBondContact O-N 2.88Å
308L93.3Very high92.2Very high47 Ų4751.5 Ų51.525%0.24628%0.28CS..Hα-helixtrans-60.7-39.5179.5-70.1173.8000111.9T304 S305 R312 L317 I327T304-L308 HydrophobicContact CG2-CD1 4.07Å; T304-L308 WeakPolarHBondContact O-CB 3.49Å; T304-L308 VanDerWaalsContact O-CG 3.26Å; T304-L308 WeakPolarHBondContact O-CG 3.38Å; T304-L308 PolarHBondContact O-N 3.35Å; S305-L308 PolarHBondContact O-N 2.93Å; L308-R312 WeakPolarHBondContact O-CB 3.27Å; L308-R312 PolarHBondContact O-N 2.83Å; L308-L317 HydrophobicContact CD2-CD2 4.1Å; L308-I327 HydrophobicContact CB-CG1 4.08Å; L308-I327 HydrophobicContact CB-CG2 4.19Å
309L92.7Very high91.3Very high59 Ų5953.9 Ų53.931%0.30930%0.302SS..Hα-helixtrans-64.2-48.5175.7-17862.3000111.3F249 S305 L306 I307 L311 R312 L313 I327F249-L309 HydrophobicContact CE2-CG 4.43Å; F249-L309 HydrophobicContact CZ-CD2 4.12Å; F249-L309 HydrophobicContact CZ-CG 4.39Å; S305-L309 WeakPolarHBondContact O-CB 3.32Å; S305-L309 PolarHBondContact O-N 3.05Å; L306-L309 PolarHBondContact O-N 3.39Å; I307-L309 VanDerWaalsContact C-N 3.29Å; I307-L309 PolarHBondContact O-N 3.47Å; L309-L311 PolarHBondContact O-N 3.13Å; L309-R312 PolarHBondContact O-N 2.92Å; L309-L313 HydrophobicContact CD1-CD1 3.97Å; L309-L313 HydrophobicContact CD1-CG 4.15Å; L309-L313 HydrophobicContact CG-CD1 3.86Å; L309-L313 HydrophobicContact CG-CG 4.43Å; L309-L313 WeakPolarHBondContact O-CB 3.22Å; L309-L313 VanDerWaalsContact O-CG 3.25Å; L309-L313 WeakPolarHBondContact O-CG 3.25Å; L309-L313 PolarHBondContact O-N 3.26Å; L309-I327 HydrophobicContact CB-CG2 3.98Å
310G92.4Very high90.4Very high0 Ų058 Ų580%033%0.332CS..Hα-helixtrans-57.9-48.3176.600000112.4L306 I307 R312 L313 D314L306-G310 PolarHBondContact O-N 2.74Å; I307-G310 PolarHBondContact O-N 3.38Å; G310-R312 VanDerWaalsContact C-N 3.34Å; G310-R312 PolarHBondContact O-N 3.32Å; G310-L313 PolarHBondContact O-N 2.9Å; G310-D314 WeakPolarHBondContact O-CB 3.4Å; G310-D314 PolarHBondContact O-N 3.41Å
311L92.5Very high89.4Confident56 Ų5662.5 Ų62.529%0.29335%0.349SS..Hα-helixtrans-64.7-35.3179.4-67.2175.2000113.2I307 L309 G315 Y316 L317I307-L311 HydrophobicContact CG2-CD1 3.81Å; I307-L311 HydrophobicContact CG2-CG 4.26Å; I307-L311 WeakPolarHBondContact O-CB 3.31Å; I307-L311 VanDerWaalsContact O-CG 3.29Å; I307-L311 WeakPolarHBondContact O-CG 3.41Å; I307-L311 PolarHBondContact O-N 2.88Å; L309-L311 PolarHBondContact O-N 3.13Å; L311-G315 PolarHBondContact O-N 3.47Å; L311-Y316 HydrophobicContact CD2-CD2 4.18Å; L311-Y316 PolarHBondContact O-N 3.46Å; L311-L317 HydrophobicContact CB-CD1 3.96Å; L311-L317 HydrophobicContact CD1-CD1 4.29Å; L311-L317 PolarHBondContact O-N 2.96Å
312R91.6Very high88.6Confident47 Ų4759.8 Ų59.818%0.17734%0.337CS..Hα-helixtrans-68.7-45.4173.8-179.9178.4177.1178.35.3111.5D34 L308 L309 G310 D314 G315 S322 I327D34-R312 IonicContact OD1-CZ 3.69Å; D34-R312 IonicContact OD1-NH1 3.59Å; D34-R312 IonicContact OD1-NH2 2.88Å; D34-R312 PolarHBondContact OD1-NH2 2.75Å; L308-R312 WeakPolarHBondContact O-CB 3.27Å; L308-R312 PolarHBondContact O-N 2.83Å; L309-R312 PolarHBondContact O-N 2.92Å; G310-R312 VanDerWaalsContact C-N 3.34Å; G310-R312 PolarHBondContact O-N 3.32Å; R312-D314 PolarHBondContact O-N 3.4Å; R312-G315 PolarHBondContact O-N 3.45Å; R312-S322 PolarHBondContact NH1-O 3.47Å; R312-I327 HydrophobicContact CB-CD1 3.82Å; R312-I327 HydrophobicContact CG-CD1 4.24Å
313L90.6Very high88.4Confident71 Ų7158.8 Ų58.837%0.37234%0.335SS..Hα-helixtrans-65.9-29.3-179.8-69.4172.2000112W245 F249 L309 G310 G315W245-L313 HydrophobicContact CB-CB 3.79Å; W245-L313 HydrophobicContact CB-CD1 4.47Å; W245-L313 VanDerWaalsContact CD1-CB 3.47Å; W245-L313 HydrophobicContact CD2-CB 3.76Å; W245-L313 HydrophobicContact CD2-CD1 3.88Å; W245-L313 HydrophobicContact CD2-CG 4.34Å; W245-L313 HydrophobicContact CE3-CB 4.5Å; W245-L313 HydrophobicContact CE3-CD1 3.77Å; W245-L313 HydrophobicContact CG-CB 3.4Å; W245-L313 VanDerWaalsContact CG-CB 3.4Å; W245-L313 HydrophobicContact CG-CD1 4.23Å; W245-L313 HydrophobicContact CG-CG 4.42Å; W245-L313 HydrophobicContact CZ3-CD1 4.24Å; W245-L313 PolarHBondContact NE1-O 2.97Å; F249-L313 HydrophobicContact CE2-CD1 3.98Å; F249-L313 HydrophobicContact CZ-CD1 3.9Å; L309-L313 HydrophobicContact CD1-CD1 3.97Å; L309-L313 HydrophobicContact CD1-CG 4.15Å; L309-L313 HydrophobicContact CG-CD1 3.86Å; L309-L313 HydrophobicContact CG-CG 4.43Å; L309-L313 WeakPolarHBondContact O-CB 3.22Å; L309-L313 VanDerWaalsContact O-CG 3.25Å; L309-L313 WeakPolarHBondContact O-CG 3.25Å; L309-L313 PolarHBondContact O-N 3.26Å; G310-L313 PolarHBondContact O-N 2.9Å; L313-G315 VanDerWaalsContact C-N 3.28Å
314D91.3Very high88.1Confident33 Ų3356.9 Ų56.918%0.17632%0.322CS..THydrogen-bonded Turntrans-80-3.2172.2-75.9-31.8000114.2N244 W245 I246 G310 R312 Y316N244-D314 VanDerWaalsContact CA-OD1 3.29Å; N244-D314 WeakPolarHBondContact CA-OD1 3.17Å; N244-D314 WeakPolarHBondContact CB-OD1 3.15Å; W245-D314 WeakPolarHBondContact CB-OD1 3.24Å; W245-D314 VanDerWaalsContact CD1-OD1 3.31Å; W245-D314 PolarHBondContact N-OD1 3.47Å; W245-D314 PolarHBondContact N-OD2 2.92Å; I246-D314 PolarHBondContact N-OD2 3.22Å; I246-D314 VanDerWaalsContact N-OD2 3.11Å; G310-D314 WeakPolarHBondContact O-CB 3.4Å; G310-D314 PolarHBondContact O-N 3.41Å; R312-D314 PolarHBondContact O-N 3.4Å; D314-Y316 VanDerWaalsContact C-N 3.29Å; D314-Y316 HydrophobicContact CB-CD2 3.5Å; D314-Y316 VanDerWaalsContact CB-CD2 3.5Å; D314-Y316 HydrophobicContact CB-CE2 3.59Å; D314-Y316 PolarHBondContact O-N 2.91Å
315G86.9Confident87.9Confident58 Ų5856.9 Ų56.960%0.59832%0.319SS*.THydrogen-bonded Turntrans77.75.5177.100000115.3L311 R312 L313 L317L311-G315 PolarHBondContact O-N 3.47Å; R312-G315 PolarHBondContact O-N 3.45Å; L313-G315 VanDerWaalsContact C-N 3.28Å; G315-L317 VanDerWaalsContact C-N 3.3Å; G315-L317 PolarHBondContact O-N 3.31Å
316Y89.6Confident87.7Confident158 Ų15860.5 Ų60.562%0.6234%0.337SS*.SBendtrans-69.7-28.8176.2-67.3-70000112.6L311 D314L311-Y316 HydrophobicContact CD2-CD2 4.18Å; L311-Y316 PolarHBondContact O-N 3.46Å; D314-Y316 VanDerWaalsContact C-N 3.29Å; D314-Y316 HydrophobicContact CB-CD2 3.5Å; D314-Y316 VanDerWaalsContact CB-CD2 3.5Å; D314-Y316 HydrophobicContact CB-CE2 3.59Å; D314-Y316 PolarHBondContact O-N 2.91Å
317L88.3Confident87.6Confident51 Ų5160 Ų6027%0.26733%0.334SS..SBendtrans-105.3119.3172.9-88.856.4000109.8L308 L311 G315 S322L308-L317 HydrophobicContact CD2-CD2 4.1Å; L311-L317 HydrophobicContact CB-CD1 3.96Å; L311-L317 HydrophobicContact CD1-CD1 4.29Å; L311-L317 PolarHBondContact O-N 2.96Å; G315-L317 VanDerWaalsContact C-N 3.3Å; G315-L317 PolarHBondContact O-N 3.31Å; L317-S322 WeakPolarHBondContact CB-OG 3.28Å
318S80.3Confident87.6Confident70 Ų7057.2 Ų57.249%0.4932%0.321SS..  trans-64.5143.8173-175.90000110.7S320 K321 S322S318-S320 PolarHBondContact O-N 3.5Å; S318-S320 PolarHBondContact OG-OG 3.24Å; S318-K321 PolarHBondContact O-N 2.9Å; S318-S322 PolarHBondContact O-N 2.95Å
319A75.9Confident87.6Confident67 Ų6758.8 Ų58.855%0.55433%0.329SS*.THydrogen-bonded Turntrans-54.4-26.6177.900000113.1
320S74.5Confident87.7Confident106 Ų10656.8 Ų56.874%0.74132%0.32SS*.THydrogen-bonded Turntrans-71.2-28176.165.40000114S318S318-S320 PolarHBondContact O-N 3.5Å; S318-S320 PolarHBondContact OG-OG 3.24Å
321K75.2Confident87.8Confident174 Ų17458.1 Ų58.176%0.75733%0.328SS*.THydrogen-bonded Turntrans-93.4-28.4-178.4-66.9-173.1179.7178.80112.7S318S318-K321 PolarHBondContact O-N 2.9Å
322S79.3Confident87.9Confident5 Ų557 Ų574%0.03532%0.322CS..  trans-134.687.4-179.9640000111.2R312 L317 S318R312-S322 PolarHBondContact NH1-O 3.47Å; L317-S322 WeakPolarHBondContact CB-OG 3.28Å; S318-S322 PolarHBondContact O-N 2.95Å
323S89.2Confident88Confident31 Ų3160 Ų6022%0.21734%0.336CS..  trans-61.3152.8167.670.20000110.1D34 L325 I326 I327D34-S323 VanDerWaalsContact OD2-CB 3.27Å; D34-S323 WeakPolarHBondContact OD2-CB 3.28Å; S323-L325 PolarHBondContact O-N 3.2Å; S323-I326 PolarHBondContact O-N 2.92Å; S323-I326 VanDerWaalsContact O-N 3.11Å; S323-I326 WeakPolarHBondContact OG-CD1 3.23Å; S323-I326 VanDerWaalsContact OG-CG1 3.25Å; S323-I326 WeakPolarHBondContact OG-CG1 3.48Å; S323-I326 PolarHBondContact OG-N 3.15Å; S323-I327 PolarHBondContact O-N 2.87Å
324A88.9Confident88.1Confident1 Ų156.8 Ų56.81%0.00832%0.32CS..Hα-helixtrans-62.3-35.4178.600000110A30 M33 D34 I326 I327 C328A30-A324 HydrophobicContact CB-CB 3.73Å; A30-A324 WeakPolarHBondContact O-CB 3.12Å; M33-A324 HydrophobicContact CB-CB 4.04Å; M33-A324 HydrophobicContact CE-CB 3.61Å; D34-A324 WeakPolarHBondContact OD1-CB 3.28Å; D34-A324 PolarHBondContact OD1-N 2.72Å; D34-A324 WeakPolarHBondContact OD2-CA 3.31Å; D34-A324 WeakPolarHBondContact OD2-CB 3.14Å; D34-A324 PolarHBondContact OD2-N 3.13Å; A324-I326 VanDerWaalsContact C-N 3.31Å; A324-I326 PolarHBondContact O-N 2.95Å; A324-I327 PolarHBondContact O-N 3.04Å; A324-I327 VanDerWaalsContact O-N 3.17Å; A324-C328 PolarHBondContact O-N 3.28Å; A324-C328 PolarHBondContact O-SG 3.2Å
325L90.3Very high88Confident58 Ų5857.9 Ų57.930%0.30433%0.325SS..Hα-helixtrans-56.3-46174.2-68.6170000111.2L27 A30 D34 S323 I327 C328 I329L27-L325 HydrophobicContact CD2-CD2 4.13Å; A30-L325 HydrophobicContact CB-CD2 3.79Å; A30-L325 HydrophobicContact CB-CG 4.22Å; D34-L325 PolarHBondContact OD2-N 3.28Å; S323-L325 PolarHBondContact O-N 3.2Å; L325-I327 VanDerWaalsContact C-N 3.34Å; L325-I327 PolarHBondContact O-N 2.88Å; L325-C328 PolarHBondContact O-N 3.35Å; L325-I329 WeakPolarHBondContact O-CG1 3.45Å; L325-I329 PolarHBondContact O-N 2.81Å; L325-I329 VanDerWaalsContact O-N 3.15Å
326I91.3Very high88.2Confident87 Ų8761.4 Ų61.445%0.44632%0.324SS..Hα-helixtrans-62.8-40.7177.9-69.2165.7000111.5S323 A324 C328 I329 P330S323-I326 PolarHBondContact O-N 2.92Å; S323-I326 VanDerWaalsContact O-N 3.11Å; S323-I326 WeakPolarHBondContact OG-CD1 3.23Å; S323-I326 VanDerWaalsContact OG-CG1 3.25Å; S323-I326 WeakPolarHBondContact OG-CG1 3.48Å; S323-I326 PolarHBondContact OG-N 3.15Å; A324-I326 VanDerWaalsContact C-N 3.31Å; A324-I326 PolarHBondContact O-N 2.95Å; I326-C328 VanDerWaalsContact C-N 3.28Å; I326-C328 PolarHBondContact O-N 2.95Å; I326-I329 PolarHBondContact O-N 3.28Å; I326-P330 WeakPolarHBondContact O-CD 3.46Å
327I92.2Very high88.1Confident9 Ų955.8 Ų55.85%0.04630%0.304CS..Hα-helixtrans-65.9-32.9177.8-59.8178.5000111.4S305 L308 L309 R312 S323 A324 L325 P330S305-I327 WeakPolarHBondContact CB-O 3.12Å; L308-I327 HydrophobicContact CB-CG1 4.08Å; L308-I327 HydrophobicContact CB-CG2 4.19Å; L309-I327 HydrophobicContact CB-CG2 3.98Å; R312-I327 HydrophobicContact CB-CD1 3.82Å; R312-I327 HydrophobicContact CG-CD1 4.24Å; S323-I327 PolarHBondContact O-N 2.87Å; A324-I327 PolarHBondContact O-N 3.04Å; A324-I327 VanDerWaalsContact O-N 3.17Å; L325-I327 VanDerWaalsContact C-N 3.34Å; L325-I327 PolarHBondContact O-N 2.88Å; I327-P330 WeakPolarHBondContact O-CD 3.21Å
328C93.4Very high88Confident14 Ų1458.4 Ų58.410%0.09531%0.311CS..Hα-helixtrans-75.7-23.1177.8-710000113.6A324 L325 I326 V331 L332A324-C328 PolarHBondContact O-N 3.28Å; A324-C328 PolarHBondContact O-SG 3.2Å; L325-C328 PolarHBondContact O-N 3.35Å; I326-C328 VanDerWaalsContact C-N 3.28Å; I326-C328 PolarHBondContact O-N 2.95Å; C328-V331 WeakPolarHBondContact O-CB 3.08Å; C328-V331 PolarHBondContact O-N 3.43Å; C328-L332 HydrophobicContact CB-CD1 4.38Å; C328-L332 WeakPolarHBondContact O-CG 3.22Å; C328-L332 PolarHBondContact O-N 3.38Å
329I93.6Very high88.1Confident80 Ų8055.8 Ų55.841%0.4129%0.294SS..Hα-helixtrans-53.8-52.1-177-72.6168.4000112.4L325 I326 V331 L332 F333L325-I329 WeakPolarHBondContact O-CG1 3.45Å; L325-I329 PolarHBondContact O-N 2.81Å; L325-I329 VanDerWaalsContact O-N 3.15Å; I326-I329 PolarHBondContact O-N 3.28Å; I329-V331 VanDerWaalsContact C-N 3.28Å; I329-V331 PolarHBondContact O-N 3.48Å; I329-L332 PolarHBondContact O-N 2.76Å; I329-F333 HydrophobicContact CG2-CD2 3.61Å; I329-F333 HydrophobicContact CG2-CE2 3.64Å; I329-F333 WeakPolarHBondContact O-CD2 3.25Å; I329-F333 PolarHBondContact O-N 3.36Å
330P94.7Very high88.3Confident17 Ų1755.5 Ų55.511%0.1129%0.288CS..Hα-helixtrans-59.4-38177.4-22.832.4000112.9F301 T304 I326 I327 F333 S334F301-P330 HydrophobicContact CB-CB 3.96Å; F301-P330 WeakPolarHBondContact CB-O 3.28Å; F301-P330 HydrophobicContact CD1-CB 4.22Å; F301-P330 HydrophobicContact CG-CB 4.32Å; F301-P330 VanDerWaalsContact O-CB 3.29Å; F301-P330 WeakPolarHBondContact O-CB 3.32Å; T304-P330 HydrophobicContact CG2-CG 4.39Å; I326-P330 WeakPolarHBondContact O-CD 3.46Å; I327-P330 WeakPolarHBondContact O-CD 3.21Å; P330-F333 PolarHBondContact O-N 3.4Å; P330-S334 WeakPolarHBondContact O-CB 3.39Å; P330-S334 PolarHBondContact O-N 2.98Å
331V94.2Very high88.3Confident27 Ų2753.9 Ų53.916%0.16427%0.271CS..Hα-helixtrans-63.5-46.1176.8-176.60000110.7L26 S305 C328 I329 F333 S334 M335L26-V331 HydrophobicContact CD1-CG1 3.71Å; S305-V331 WeakPolarHBondContact OG-CG2 3.15Å; C328-V331 WeakPolarHBondContact O-CB 3.08Å; C328-V331 PolarHBondContact O-N 3.43Å; I329-V331 VanDerWaalsContact C-N 3.28Å; I329-V331 PolarHBondContact O-N 3.48Å; V331-F333 PolarHBondContact O-N 3.13Å; V331-S334 PolarHBondContact O-N 2.85Å; V331-S334 PolarHBondContact O-OG 3.45Å; V331-M335 WeakPolarHBondContact O-CG 3.41Å; V331-M335 PolarHBondContact O-N 3.11Å
332L94.5Very high87.7Confident32 Ų3246.8 Ų46.817%0.16824%0.243CC..Hα-helixtrans-62.5-41.9178.8-66.8169.5000111.6L26 L27 C328 I329 M335 F336L26-L332 HydrophobicContact CB-CD2 4.39Å; L26-L332 HydrophobicContact CD1-CD2 4.43Å; L27-L332 HydrophobicContact CD2-CD1 3.55Å; L27-L332 HydrophobicContact CG-CD1 3.96Å; L27-L332 HydrophobicContact CG-CD2 4.44Å; C328-L332 HydrophobicContact CB-CD1 4.38Å; C328-L332 WeakPolarHBondContact O-CG 3.22Å; C328-L332 PolarHBondContact O-N 3.38Å; I329-L332 PolarHBondContact O-N 2.76Å; L332-M335 PolarHBondContact O-N 2.91Å; L332-F336 WeakPolarHBondContact O-CB 3.25Å; L332-F336 PolarHBondContact O-N 3.39Å
333F93.7Very high86.6Confident110 Ų11050.5 Ų50.548%0.48227%0.269SS..Hα-helixtrans-62.6-42.3173.1-88.7-72.9000112.1F301 I329 P330 V331 M335 F336 L337F301-F333 HydrophobicContact CD2-CB 3.88Å; F301-F333 HydrophobicContact CE2-CB 3.75Å; F301-F333 HydrophobicContact CE2-CG 4.41Å; F301-F333 HydrophobicContact CZ-CB 4.49Å; I329-F333 HydrophobicContact CG2-CD2 3.61Å; I329-F333 HydrophobicContact CG2-CE2 3.64Å; I329-F333 WeakPolarHBondContact O-CD2 3.25Å; I329-F333 PolarHBondContact O-N 3.36Å; P330-F333 PolarHBondContact O-N 3.4Å; V331-F333 PolarHBondContact O-N 3.13Å; F333-M335 VanDerWaalsContact C-N 3.33Å; F333-M335 PolarHBondContact O-N 3.27Å; F333-F336 PolarHBondContact O-N 3.35Å; F333-L337 WeakPolarHBondContact O-CB 3.44Å; F333-L337 VanDerWaalsContact O-CG 3.28Å; F333-L337 WeakPolarHBondContact O-CG 3.17Å; F333-L337 PolarHBondContact O-N 3.41Å
334S93Very high85Confident4 Ų449.8 Ų49.83%0.02827%0.267CS..Hα-helixtrans-62.3-40.3177.679.70000112L302 P330 V331 L337 Y338L302-S334 WeakPolarHBondContact CD2-OG 3.18Å; P330-S334 WeakPolarHBondContact O-CB 3.39Å; P330-S334 PolarHBondContact O-N 2.98Å; V331-S334 PolarHBondContact O-N 2.85Å; V331-S334 PolarHBondContact O-OG 3.45Å; S334-L337 PolarHBondContact O-N 3.39Å; S334-Y338 WeakPolarHBondContact O-CB 3.45Å; S334-Y338 PolarHBondContact O-N 3.47Å
335M90.1Very high83.2Confident57 Ų5755 Ų5528%0.28130%0.3SS..Hα-helixtrans-68.5-42.9176.3-73.4-67.3172.900111.9V331 L332 F333 L337 Y338 A339V331-M335 WeakPolarHBondContact O-CG 3.41Å; V331-M335 PolarHBondContact O-N 3.11Å; L332-M335 PolarHBondContact O-N 2.91Å; F333-M335 VanDerWaalsContact C-N 3.33Å; F333-M335 PolarHBondContact O-N 3.27Å; M335-L337 VanDerWaalsContact C-N 3.35Å; M335-L337 PolarHBondContact O-N 3.35Å; M335-Y338 PolarHBondContact O-N 3.21Å; M335-A339 WeakPolarHBondContact O-CB 3.23Å; M335-A339 PolarHBondContact O-N 3.02Å
336F89.6Confident81.3Confident131 Ų13152.7 Ų52.758%0.57529%0.29SS*.Hα-helixtrans-60.4-44.3175.4176.2-98.9000112L332 F333 A339 S340L332-F336 WeakPolarHBondContact O-CB 3.25Å; L332-F336 PolarHBondContact O-N 3.39Å; F333-F336 PolarHBondContact O-N 3.35Å; F336-A339 PolarHBondContact O-N 3.39Å; F336-S340 VanDerWaalsContact O-CB 3.28Å; F336-S340 WeakPolarHBondContact O-CB 3.33Å; F336-S340 PolarHBondContact O-N 3.13Å; F336-S340 PolarHBondContact O-OG 3.42Å
337L89.1Confident79.5Confident40 Ų4053.4 Ų53.421%0.20930%0.295CS..Hα-helixtrans-63.7-46.7175-71.2174.1000111.1L297 I298 F301 F333 S334 M335 A339 S340 L341L297-L337 HydrophobicContact CD2-CD1 3.22Å; L297-L337 HydrophobicContact CG-CD1 4.4Å; I298-L337 HydrophobicContact CD1-CB 4.2Å; I298-L337 HydrophobicContact CG1-CB 4Å; F301-L337 HydrophobicContact CD2-CD1 4.31Å; F301-L337 HydrophobicContact CE2-CD1 4.07Å; F333-L337 WeakPolarHBondContact O-CB 3.44Å; F333-L337 VanDerWaalsContact O-CG 3.28Å; F333-L337 WeakPolarHBondContact O-CG 3.17Å; F333-L337 PolarHBondContact O-N 3.41Å; S334-L337 PolarHBondContact O-N 3.39Å; M335-L337 VanDerWaalsContact C-N 3.35Å; M335-L337 PolarHBondContact O-N 3.35Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-A339 PolarHBondContact O-N 3.28Å; L337-S340 PolarHBondContact O-N 3.04Å; L337-L341 HydrophobicContact CB-CD1 4.06Å; L337-L341 HydrophobicContact CD2-CD1 4.16Å; L337-L341 VanDerWaalsContact O-CB 3.31Å; L337-L341 WeakPolarHBondContact O-CB 3.12Å; L337-L341 WeakPolarHBondContact O-CD1 3.48Å; L337-L341 PolarHBondContact O-N 3.43Å
338Y84.9Confident77.5Confident106 Ų10656 Ų5642%0.41631%0.313SS..Hα-helixtrans-56.9-47.7176.9-176.8-102.9000111.6T15 I298 S334 M335 S340 S342T15-Y338 HydrophobicContact CG2-CD1 3.94Å; T15-Y338 HydrophobicContact CG2-CE1 3.59Å; I298-Y338 HydrophobicContact CD1-CD2 4.49Å; S334-Y338 WeakPolarHBondContact O-CB 3.45Å; S334-Y338 PolarHBondContact O-N 3.47Å; M335-Y338 PolarHBondContact O-N 3.21Å; Y338-S340 PolarHBondContact O-N 3.23Å; Y338-S342 WeakPolarHBondContact O-CB 3.29Å; Y338-S342 PolarHBondContact O-N 3.18Å; Y338-S342 PolarHBondContact O-OG 3.16Å
339A81.8Confident75.5Confident15 Ų1559.3 Ų59.312%0.12432%0.323CS..Hα-helixtrans-65.9-38.517900000113M335 F336 L337M335-A339 WeakPolarHBondContact O-CB 3.23Å; M335-A339 PolarHBondContact O-N 3.02Å; F336-A339 PolarHBondContact O-N 3.39Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-A339 PolarHBondContact O-N 3.28Å
340S80Confident73.6Confident62 Ų6257.9 Ų57.943%0.43431%0.313SS..Hα-helixtrans-72.2-34.8-179.6-58.80000112.8F336 L337 Y338F336-S340 VanDerWaalsContact O-CB 3.28Å; F336-S340 WeakPolarHBondContact O-CB 3.33Å; F336-S340 PolarHBondContact O-N 3.13Å; F336-S340 PolarHBondContact O-OG 3.42Å; L337-S340 PolarHBondContact O-N 3.04Å; Y338-S340 PolarHBondContact O-N 3.23Å
341L74.6Confident71.7Confident72 Ų7260.2 Ų60.238%0.37732%0.321SS..Hα-helixtrans-93.1-13.4-177.9-72.8133.2000113.3L337 S343L337-L341 HydrophobicContact CB-CD1 4.06Å; L337-L341 HydrophobicContact CD2-CD1 4.16Å; L337-L341 VanDerWaalsContact O-CB 3.31Å; L337-L341 WeakPolarHBondContact O-CB 3.12Å; L337-L341 WeakPolarHBondContact O-CD1 3.48Å; L337-L341 PolarHBondContact O-N 3.43Å; L341-S343 PolarHBondContact O-N 2.86Å
342S64Low69.5Low25 Ų2559.9 Ų59.918%0.17532%0.323CS..  trans-74.258.7170.8-65.60000111.1Y338 G344Y338-S342 WeakPolarHBondContact O-CB 3.29Å; Y338-S342 PolarHBondContact O-N 3.18Å; Y338-S342 PolarHBondContact O-OG 3.16Å; S342-G344 PolarHBondContact O-N 3.43Å
343S55.8Low67.4Low82 Ų8262 Ų6257%0.57333%0.334SS*.BIsolated β-bridgetrans-82106.1163.5-63.40000107.5L341L341-S343 PolarHBondContact O-N 2.86Å
344G55.4Low65.4Low17 Ų1761.1 Ų61.118%0.17534%0.335CS..SBendtrans-159.7156.3179.100000108.9N10 S342 G346N10-G344 PolarHBondContact O-N 2.95Å; S342-G344 PolarHBondContact O-N 3.43Å; G344-G346 PolarHBondContact O-N 3.17Å
345P50.3Low63.5Low109 Ų10964.9 Ų64.971%0.70835%0.348SS*.  trans-55112.5176.923.6-31.7000108.1
346G50.1Low61.9Low10 Ų1063.8 Ų63.810%0.10334%0.344CS..  trans-56.7155.9177.200000109.8G344 P348G344-G346 PolarHBondContact O-N 3.17Å; G346-P348 VanDerWaalsContact O-CD 3.23Å; G346-P348 WeakPolarHBondContact O-CD 3.48Å
347N54.9Low60.4Low103 Ų10358.1 Ų58.155%0.55132%0.319SS*.  trans-58.2116.6174.1-178.7-13.3000108.2W349 W350N347-W349 PolarHBondContact O-N 3.42Å; N347-W349 PolarHBondContact OD1-N 2.79Å; N347-W349 VanDerWaalsContact OD1-N 3.09Å; N347-W350 PolarHBondContact O-N 2.8Å
348P50.1Low58.9Low64 Ų6459.7 Ų59.742%0.41633%0.328SS..THydrogen-bonded Turntrans-65.8-5.8-173.125.7-34000113.1G346 N354 R355G346-P348 VanDerWaalsContact O-CD 3.23Å; G346-P348 WeakPolarHBondContact O-CD 3.48Å; P348-N354 CarbonylContact O-C 3.59Å; P348-N354 VanDerWaalsContact O-CA 3.28Å; P348-N354 WeakPolarHBondContact O-CA 3.39Å; P348-R355 PolarHBondContact O-N 3.43Å
349W51.2Low57.7Low82 Ų8255.8 Ų55.831%0.31131%0.314SS..THydrogen-bonded Turntrans-11218.9-178.4-65.598.7000114.7Y92 M96 N347 F351 G352 L353 N354Y92-W349 AromaticContact CD1-NE1 3.6Å; Y92-W349 AromaticContact CE1-NE1 3.77Å; M96-W349 HydrophobicContact CE-CB 3.43Å; M96-W349 VanDerWaalsContact CE-CB 3.43Å; M96-W349 HydrophobicContact CE-CD2 3.67Å; M96-W349 HydrophobicContact CE-CE3 3.74Å; M96-W349 HydrophobicContact CE-CG 3.56Å; N347-W349 PolarHBondContact O-N 3.42Å; N347-W349 PolarHBondContact OD1-N 2.79Å; N347-W349 VanDerWaalsContact OD1-N 3.09Å; W349-F351 PolarHBondContact O-N 3.12Å; W349-G352 PolarHBondContact O-N 3.42Å; W349-L353 WeakPolarHBondContact CA-O 3.35Å; W349-N354 HydrophobicContact CH2-CB 4.27Å; W349-N354 HydrophobicContact CZ3-CB 4.28Å
350W54Low56.6Low50 Ų5055.9 Ų55.919%0.18932%0.315CS..G310 helixtrans-62133172-158.546.1000109.6E13 C17 I54 N347 G352 V357E13-W350 HydrophobicContact CB-CE3 3.48Å; E13-W350 VanDerWaalsContact CB-CE3 3.48Å; E13-W350 HydrophobicContact CB-CH2 4.17Å; E13-W350 HydrophobicContact CB-CZ3 3.26Å; E13-W350 HydrophobicContact CG-CE3 4.45Å; E13-W350 HydrophobicContact CG-CZ3 4.42Å; E13-W350 WeakPolarHBondContact O-CH2 3.34Å; E13-W350 VanDerWaalsContact OE2-CE3 3.3Å; C17-W350 HydrophobicContact CB-CH2 3.51Å; C17-W350 HydrophobicContact CB-CZ2 3.5Å; C17-W350 VanDerWaalsContact CB-CZ2 3.5Å; I54-W350 HydrophobicContact CG2-CZ2 4.47Å; N347-W350 PolarHBondContact O-N 2.8Å; W350-G352 VanDerWaalsContact C-N 3.25Å; W350-G352 PolarHBondContact O-N 2.96Å; W350-V357 HydrophobicContact CB-CG2 4.34Å; W350-V357 HydrophobicContact CD2-CG2 4.43Å; W350-V357 HydrophobicContact CE3-CB 3.97Å; W350-V357 HydrophobicContact CE3-CG2 3.79Å; W350-V357 HydrophobicContact CZ3-CB 4.22Å; W350-V357 HydrophobicContact CZ3-CG2 4.5Å; W350-V357 WeakPolarHBondContact O-CG2 3.32Å
351F54.4Low55.9Low67 Ų6757.1 Ų57.129%0.29432%0.316SS..G310 helixtrans62.312.5-167.1-84.5-91.6000117.3I54 W349 L353 V357I54-F351 HydrophobicContact CB-CE2 4.4Å; I54-F351 HydrophobicContact CB-CZ 4.05Å; I54-F351 HydrophobicContact CD1-CE2 4.45Å; I54-F351 HydrophobicContact CD1-CZ 4.09Å; I54-F351 HydrophobicContact CG1-CE1 4.4Å; I54-F351 HydrophobicContact CG1-CE2 4.4Å; I54-F351 HydrophobicContact CG1-CZ 3.76Å; I54-F351 HydrophobicContact CG2-CD1 4.41Å; I54-F351 HydrophobicContact CG2-CD2 3.82Å; I54-F351 HydrophobicContact CG2-CE1 3.9Å; I54-F351 HydrophobicContact CG2-CE2 3.25Å; I54-F351 HydrophobicContact CG2-CG 4.4Å; I54-F351 HydrophobicContact CG2-CZ 3.31Å; W349-F351 PolarHBondContact O-N 3.12Å; F351-L353 HydrophobicContact CB-CD1 4.1Å; F351-L353 PolarHBondContact O-N 2.72Å; F351-L353 VanDerWaalsContact O-N 3.14Å; F351-V357 HydrophobicContact CB-CG2 3.86Å; F351-V357 HydrophobicContact CD2-CB 4.36Å; F351-V357 HydrophobicContact CD2-CG1 3.88Å; F351-V357 HydrophobicContact CD2-CG2 3.81Å; F351-V357 HydrophobicContact CE2-CG1 4.19Å; F351-V357 HydrophobicContact CG-CG1 4.42Å; F351-V357 HydrophobicContact CG-CG2 4.23Å
352G48.6Very low55.1Low19 Ų1954.7 Ų54.720%0.19630%0.302CS..G310 helixtrans68.66.4-176.200000113.7W349 W350W349-G352 PolarHBondContact O-N 3.42Å; W350-G352 VanDerWaalsContact C-N 3.25Å; W350-G352 PolarHBondContact O-N 2.96Å
353L49Very low54.9Low77 Ų7755.9 Ų55.940%0.40331%0.305SS..  trans-84.4133.2168.5-74.3156.7000107.5W349 F351 R355 V357W349-L353 WeakPolarHBondContact CA-O 3.35Å; F351-L353 HydrophobicContact CB-CD1 4.1Å; F351-L353 PolarHBondContact O-N 2.72Å; F351-L353 VanDerWaalsContact O-N 3.14Å; L353-R355 PolarHBondContact O-N 2.92Å; L353-V357 HydrophobicContact CD1-CG2 4.29Å
354N53.5Low55.2Low92 Ų9256.6 Ų56.649%0.49231%0.31SS..SBendtrans-78.143.5170.7-172.423.7000111P348 W349P348-N354 CarbonylContact O-C 3.59Å; P348-N354 VanDerWaalsContact O-CA 3.28Å; P348-N354 WeakPolarHBondContact O-CA 3.39Å; W349-N354 HydrophobicContact CH2-CB 4.27Å; W349-N354 HydrophobicContact CZ3-CB 4.28Å
355R51.5Low55.2Low82 Ų8257.6 Ų57.631%0.30931%0.314SS..SBendtrans-156.2152.4-172.8-65-172.4179.5-153.4-10.3110.6P348 L353 V357 E363P348-R355 PolarHBondContact O-N 3.43Å; L353-R355 PolarHBondContact O-N 2.92Å; R355-V357 PolarHBondContact O-N 3.11Å; R355-E363 IonicContact NH1-OE1 2.73Å; R355-E363 IonicContact NH1-OE2 2.62Å; R355-E363 PolarHBondContact NH1-OE2 3.49Å; R355-E363 VanDerWaalsContact NH1-OE2 3.12Å
356N56.2Low55.5Low35 Ų3556.8 Ų56.819%0.18731%0.309CS..  trans-56.2120.8163.5-72.92.8000109.6E9 E13 L359 A360E9-N356 PolarHBondContact O-ND2 3.11Å; E13-N356 WeakPolarHBondContact OE1-CA 3.39Å; E13-N356 VanDerWaalsContact OE1-CB 3.23Å; E13-N356 WeakPolarHBondContact OE1-CB 3.23Å; N356-L359 HydrophobicContact CB-CB 3.81Å; N356-L359 WeakPolarHBondContact O-CB 3.43Å; N356-L359 PolarHBondContact O-N 2.86Å; N356-A360 PolarHBondContact O-N 3.15Å
357V58Low55.7Low11 Ų1160.7 Ų60.77%0.06733%0.33CS..Hα-helixtrans-70.7-35.3-174.4-178.50000110.5E13 W350 F351 L353 R355 L359 A360 I361E13-V357 VanDerWaalsContact CD-N 3.33Å; E13-V357 PolarHBondContact OE1-N 3.1Å; E13-V357 VanDerWaalsContact OE2-CA 3.32Å; E13-V357 WeakPolarHBondContact OE2-CA 3.35Å; E13-V357 WeakPolarHBondContact OE2-CB 3.19Å; E13-V357 PolarHBondContact OE2-N 3.19Å; W350-V357 HydrophobicContact CB-CG2 4.34Å; W350-V357 HydrophobicContact CD2-CG2 4.43Å; W350-V357 HydrophobicContact CE3-CB 3.97Å; W350-V357 HydrophobicContact CE3-CG2 3.79Å; W350-V357 HydrophobicContact CZ3-CB 4.22Å; W350-V357 HydrophobicContact CZ3-CG2 4.5Å; W350-V357 WeakPolarHBondContact O-CG2 3.32Å; F351-V357 HydrophobicContact CB-CG2 3.86Å; F351-V357 HydrophobicContact CD2-CB 4.36Å; F351-V357 HydrophobicContact CD2-CG1 3.88Å; F351-V357 HydrophobicContact CD2-CG2 3.81Å; F351-V357 HydrophobicContact CE2-CG1 4.19Å; F351-V357 HydrophobicContact CG-CG1 4.42Å; F351-V357 HydrophobicContact CG-CG2 4.23Å; L353-V357 HydrophobicContact CD1-CG2 4.29Å; R355-V357 PolarHBondContact O-N 3.11Å; V357-L359 VanDerWaalsContact C-N 3.26Å; V357-L359 PolarHBondContact O-N 3.37Å; V357-A360 CarbonylContact O-C 3.59Å; V357-A360 WeakPolarHBondContact O-CB 3.44Å; V357-A360 PolarHBondContact O-N 3.41Å; V357-A360 VanDerWaalsContact O-N 3.16Å; V357-I361 HydrophobicContact CG1-CD1 3.94Å; V357-I361 HydrophobicContact CG1-CG1 4.35Å; V357-I361 WeakPolarHBondContact O-CB 3.29Å; V357-I361 VanDerWaalsContact O-CG1 3.29Å; V357-I361 WeakPolarHBondContact O-CG1 3.37Å; V357-I361 PolarHBondContact O-N 3.06Å
358L58.3Low55.7Low73 Ų7359.7 Ų59.738%0.38233%0.325SS..Hα-helixtrans-63-37.7171.3-69.3167.3000110.6E13 A360 I361 F362E13-L358 HydrophobicContact CB-CD1 4.16Å; E13-L358 HydrophobicContact CB-CG 4.47Å; E13-L358 VanDerWaalsContact CD-N 3.3Å; E13-L358 HydrophobicContact CG-CD1 3.75Å; E13-L358 HydrophobicContact CG-CG 4.11Å; E13-L358 WeakPolarHBondContact OE1-CB 3.31Å; E13-L358 PolarHBondContact OE1-N 2.93Å; E13-L358 PolarHBondContact OE2-N 3.41Å; E13-L358 VanDerWaalsContact OE2-N 3.15Å; L358-A360 VanDerWaalsContact C-N 3.34Å; L358-I361 PolarHBondContact O-N 3.32Å; L358-F362 WeakPolarHBondContact O-CB 3.41Å; L358-F362 PolarHBondContact O-N 3.28Å
359L60.6Low55.9Low25 Ų2558 Ų5813%0.13131%0.311CS..Hα-helixtrans-66-39.8174.4-167.168000110.7N356 V357 F362 E363 I376 L381N356-L359 HydrophobicContact CB-CB 3.81Å; N356-L359 WeakPolarHBondContact O-CB 3.43Å; N356-L359 PolarHBondContact O-N 2.86Å; V357-L359 VanDerWaalsContact C-N 3.26Å; V357-L359 PolarHBondContact O-N 3.37Å; L359-F362 PolarHBondContact O-N 3.11Å; L359-E363 WeakPolarHBondContact O-CB 3.33Å; L359-E363 WeakPolarHBondContact O-CG 3.38Å; L359-E363 PolarHBondContact O-N 3.42Å; L359-I376 HydrophobicContact CD1-CD1 4.14Å; L359-L381 HydrophobicContact CD2-CD1 4.04Å; L359-L381 HydrophobicContact CD2-CD2 4.23Å
360A58.5Low56.2Low17 Ų1761.2 Ų61.214%0.1433%0.334CS..Hα-helixtrans-66.3-39.7175.400000112.9N356 V357 L358 E363 S364N356-A360 PolarHBondContact O-N 3.15Å; V357-A360 CarbonylContact O-C 3.59Å; V357-A360 WeakPolarHBondContact O-CB 3.44Å; V357-A360 PolarHBondContact O-N 3.41Å; V357-A360 VanDerWaalsContact O-N 3.16Å; L358-A360 VanDerWaalsContact C-N 3.34Å; A360-E363 PolarHBondContact O-N 3.49Å; A360-S364 WeakPolarHBondContact O-CB 3.47Å; A360-S364 PolarHBondContact O-N 3.01Å; A360-S364 PolarHBondContact O-OG 3.47Å
361I63.9Low56.1Low88 Ų8864.5 Ų64.545%0.45136%0.363SS..Hα-helixtrans-68.3-42175.3-69167.3000110.1V357 L358 E363 S364 C365V357-I361 HydrophobicContact CG1-CD1 3.94Å; V357-I361 HydrophobicContact CG1-CG1 4.35Å; V357-I361 WeakPolarHBondContact O-CB 3.29Å; V357-I361 VanDerWaalsContact O-CG1 3.29Å; V357-I361 WeakPolarHBondContact O-CG1 3.37Å; V357-I361 PolarHBondContact O-N 3.06Å; L358-I361 PolarHBondContact O-N 3.32Å; I361-E363 VanDerWaalsContact C-N 3.32Å; I361-E363 PolarHBondContact O-N 3.23Å; I361-S364 PolarHBondContact O-N 3.07Å; I361-S364 VanDerWaalsContact O-N 3.11Å; I361-C365 VanDerWaalsContact O-CB 3.32Å; I361-C365 WeakPolarHBondContact O-CB 3.27Å; I361-C365 PolarHBondContact O-N 3.11Å
362F58.9Low56.1Low20 Ų2062.8 Ų62.89%0.08836%0.361CS..Hα-helixtrans-62.6-39.6174.7-171.3-94.8000111.2L358 L359 S364 L368 Q369 A372 N374 I376L358-F362 WeakPolarHBondContact O-CB 3.41Å; L358-F362 PolarHBondContact O-N 3.28Å; L359-F362 PolarHBondContact O-N 3.11Å; F362-S364 VanDerWaalsContact C-N 3.32Å; F362-S364 PolarHBondContact O-N 3.19Å; F362-L368 HydrophobicContact CD2-CB 4.15Å; F362-L368 HydrophobicContact CE2-CB 4.39Å; F362-L368 WeakPolarHBondContact CE2-O 3.35Å; F362-Q369 HydrophobicContact CD1-CG 4.16Å; F362-Q369 HydrophobicContact CE1-CG 3.83Å; F362-Q369 HydrophobicContact CZ-CG 4.07Å; F362-Q369 VanDerWaalsContact O-CG 3.27Å; F362-Q369 WeakPolarHBondContact O-CG 3.31Å; F362-Q369 PolarHBondContact O-NE2 2.87Å; F362-A372 HydrophobicContact CE2-CB 3.56Å; F362-A372 HydrophobicContact CZ-CB 3.61Å; F362-N374 HydrophobicContact CE1-CB 4.35Å; F362-N374 HydrophobicContact CZ-CB 4.14Å; F362-I376 HydrophobicContact CD1-CD1 3.89Å; F362-I376 HydrophobicContact CE1-CD1 3.79Å; F362-I376 HydrophobicContact CE1-CG1 4.41Å
363E60.6Low56.3Low50 Ų5068.9 Ų68.923%0.23439%0.39CS..Hα-helixtrans-64.4-34171.7-79.7-176.9169.400112.7R355 L359 A360 I361 Q369R355-E363 IonicContact NH1-OE1 2.73Å; R355-E363 IonicContact NH1-OE2 2.62Å; R355-E363 PolarHBondContact NH1-OE2 3.49Å; R355-E363 VanDerWaalsContact NH1-OE2 3.12Å; L359-E363 WeakPolarHBondContact O-CB 3.33Å; L359-E363 WeakPolarHBondContact O-CG 3.38Å; L359-E363 PolarHBondContact O-N 3.42Å; A360-E363 PolarHBondContact O-N 3.49Å; I361-E363 VanDerWaalsContact C-N 3.32Å; I361-E363 PolarHBondContact O-N 3.23Å; E363-Q369 PolarHBondContact O-NE2 3.22Å; E363-Q369 VanDerWaalsContact O-NE2 3.16Å
364S61.2Low56.4Low98 Ų9867 Ų6769%0.68538%0.38SS*.Hα-helixtrans-85.1-22.3-175.4-58.20000113.9A360 I361 F362 P366A360-S364 WeakPolarHBondContact O-CB 3.47Å; A360-S364 PolarHBondContact O-N 3.01Å; A360-S364 PolarHBondContact O-OG 3.47Å; I361-S364 PolarHBondContact O-N 3.07Å; I361-S364 VanDerWaalsContact O-N 3.11Å; F362-S364 VanDerWaalsContact C-N 3.32Å; F362-S364 PolarHBondContact O-N 3.19Å; S364-P366 VanDerWaalsContact O-CD 3.31Å; S364-P366 WeakPolarHBondContact O-CD 3.49Å
365C55.2Low56.1Low38 Ų3870.5 Ų70.526%0.25739%0.393SS..  trans-110.197.6-173.3-161.20000111.3I361 T367 L368 Q369I361-C365 VanDerWaalsContact O-CB 3.32Å; I361-C365 WeakPolarHBondContact O-CB 3.27Å; I361-C365 PolarHBondContact O-N 3.11Å; C365-T367 PolarHBondContact O-N 2.89Å; C365-T367 PolarHBondContact SG-OG1 3.14Å; C365-L368 HydrophobicContact CB-CB 4.17Å; C365-L368 HydrophobicContact CB-CD1 3.81Å; C365-L368 PolarHBondContact O-N 3.35Å; C365-L368 VanDerWaalsContact O-N 3.12Å; C365-Q369 PolarHBondContact O-N 3.26Å
366P55.9Low56Low92 Ų9268 Ų6860%0.59739%0.386SS*.Hα-helixtrans-64.5-23.7-177.323.3-31.9000113S364 Q369 L370S364-P366 VanDerWaalsContact O-CD 3.31Å; S364-P366 WeakPolarHBondContact O-CD 3.49Å; P366-Q369 PolarHBondContact O-N 3.42Å; P366-L370 WeakPolarHBondContact O-CB 3.34Å; P366-L370 PolarHBondContact O-N 3.27Å
367T55Low55.7Low91 Ų9169 Ų6956%0.55840%0.395SS*.Hα-helixtrans-68.6-36.417553.70000112.1C365 L370 C371C365-T367 PolarHBondContact O-N 2.89Å; C365-T367 PolarHBondContact SG-OG1 3.14Å; T367-L370 PolarHBondContact O-N 2.83Å; T367-C371 WeakPolarHBondContact O-CB 3.24Å; T367-C371 PolarHBondContact O-N 3.42Å; T367-C371 PolarHBondContact O-SG 3.03Å; T367-C371 VanDerWaalsContact O-SG 3.36Å
368L54.2Low55.2Low82 Ų8275.8 Ų75.843%0.42942%0.424SS..Hα-helixtrans-70.4-37174.2-93.1147.8000112F362 C365 L370 C371 A372F362-L368 HydrophobicContact CD2-CB 4.15Å; F362-L368 HydrophobicContact CE2-CB 4.39Å; F362-L368 WeakPolarHBondContact CE2-O 3.35Å; C365-L368 HydrophobicContact CB-CB 4.17Å; C365-L368 HydrophobicContact CB-CD1 3.81Å; C365-L368 PolarHBondContact O-N 3.35Å; C365-L368 VanDerWaalsContact O-N 3.12Å; L368-L370 VanDerWaalsContact C-N 3.31Å; L368-C371 PolarHBondContact O-N 3.03Å; L368-A372 WeakPolarHBondContact O-CB 3.35Å; L368-A372 PolarHBondContact O-N 3.16Å
369Q56Low54.4Low29 Ų2976.7 Ų76.714%0.13643%0.432CS..Hα-helixtrans-63.7-38.6172.3-70.4-179.818.400111.9F362 E363 C365 P366 A372 N373 N374F362-Q369 HydrophobicContact CD1-CG 4.16Å; F362-Q369 HydrophobicContact CE1-CG 3.83Å; F362-Q369 HydrophobicContact CZ-CG 4.07Å; F362-Q369 VanDerWaalsContact O-CG 3.27Å; F362-Q369 WeakPolarHBondContact O-CG 3.31Å; F362-Q369 PolarHBondContact O-NE2 2.87Å; E363-Q369 PolarHBondContact O-NE2 3.22Å; E363-Q369 VanDerWaalsContact O-NE2 3.16Å; C365-Q369 PolarHBondContact O-N 3.26Å; P366-Q369 PolarHBondContact O-N 3.42Å; Q369-A372 CarbonylContact O-C 3.57Å; Q369-A372 PolarHBondContact O-N 2.8Å; Q369-N373 WeakPolarHBondContact O-CA 3.14Å; Q369-N373 PolarHBondContact O-N 2.82Å; Q369-N374 WeakPolarHBondContact CB-O 3.49Å; Q369-N374 PolarHBondContact O-N 3.35Å
370L55.7Low53.4Low150 Ų15078.9 Ų78.979%0.78545%0.449SS*.Hα-helixtrans-66.5-45.3174.2-132.777.8000111.5P366 T367 L368 A372 N373P366-L370 WeakPolarHBondContact O-CB 3.34Å; P366-L370 PolarHBondContact O-N 3.27Å; T367-L370 PolarHBondContact O-N 2.83Å; L368-L370 VanDerWaalsContact C-N 3.31Å; L370-A372 VanDerWaalsContact C-N 3.26Å; L370-A372 PolarHBondContact O-N 3.21Å; L370-N373 PolarHBondContact O-N 3.48Å
371C53.7Low52.5Low118 Ų11880 Ų8080%0.79745%0.453SS*.Hα-helixtrans-63.7-30.1176.4-76.10000113T367 L368T367-C371 WeakPolarHBondContact O-CB 3.24Å; T367-C371 PolarHBondContact O-N 3.42Å; T367-C371 PolarHBondContact O-SG 3.03Å; T367-C371 VanDerWaalsContact O-SG 3.36Å; L368-C371 PolarHBondContact O-N 3.03Å
372A54.3Low51.1Low32 Ų3281.4 Ų81.426%0.26445%0.452SS..THydrogen-bonded Turntrans-96.32.4177.800000114.1F362 L368 Q369 L370 N374F362-A372 HydrophobicContact CE2-CB 3.56Å; F362-A372 HydrophobicContact CZ-CB 3.61Å; L368-A372 WeakPolarHBondContact O-CB 3.35Å; L368-A372 PolarHBondContact O-N 3.16Å; Q369-A372 CarbonylContact O-C 3.57Å; Q369-A372 PolarHBondContact O-N 2.8Å; L370-A372 VanDerWaalsContact C-N 3.26Å; L370-A372 PolarHBondContact O-N 3.21Å; A372-N374 VanDerWaalsContact O-CG 3.29Å; A372-N374 PolarHBondContact O-N 3.12Å; A372-N374 PolarHBondContact O-ND2 2.83Å
373N52.7Low49.9Very low147 Ų14789.1 Ų89.179%0.78648%0.481SS*.THydrogen-bonded Turntrans47.139.6-176.2-164.626.2000114Q369 L370Q369-N373 WeakPolarHBondContact O-CA 3.14Å; Q369-N373 PolarHBondContact O-N 2.82Å; L370-N373 PolarHBondContact O-N 3.48Å
374N51.1Low48.7Very low38 Ų3892 Ų9220%0.20350%0.502CS..  trans-132.7117.9-175.3-74.7-24.5000110.4F362 Q369 A372F362-N374 HydrophobicContact CE1-CB 4.35Å; F362-N374 HydrophobicContact CZ-CB 4.14Å; Q369-N374 WeakPolarHBondContact CB-O 3.49Å; Q369-N374 PolarHBondContact O-N 3.35Å; A372-N374 VanDerWaalsContact O-CG 3.29Å; A372-N374 PolarHBondContact O-N 3.12Å; A372-N374 PolarHBondContact O-ND2 2.83Å
375H47.1Very low47.5Very low165 Ų16591.4 Ų91.476%0.76450%0.498SS*.  trans-101.1111.6168.5-179.4-86.6000109.4
376I49.5Very low46.5Very low30 Ų3098.8 Ų98.815%0.15452%0.52CS..  trans-92.2116.2179.1-63.3173.9000108.8L359 F362 K378 L381L359-I376 HydrophobicContact CD1-CD1 4.14Å; F362-I376 HydrophobicContact CD1-CD1 3.89Å; F362-I376 HydrophobicContact CE1-CD1 3.79Å; F362-I376 HydrophobicContact CE1-CG1 4.41Å; I376-K378 PolarHBondContact O-N 3.08Å; I376-L381 HydrophobicContact CG2-CD1 3.8Å
377S48.5Very low45.4Very low54 Ų54101.9 Ų101.938%0.37852%0.521SS..  trans-67.9128.5169.9160.60000109.8T379 S380S377-T379 PolarHBondContact O-N 3.15Å; S377-T379 PolarHBondContact OG-N 3.46Å; S377-T379 PolarHBondContact OG-OG1 3.5Å; S377-S380 PolarHBondContact O-OG 3.16Å
378K47.6Very low44.5Very low155 Ų155106.4 Ų106.467%0.67454%0.535SS*.G310 helixtrans-52.1-27.4177-65.2179.8177.8175.60112.2I376 S380 W382I376-K378 PolarHBondContact O-N 3.08Å; K378-S380 PolarHBondContact O-N 3.44Å; K378-W382 VanDerWaalsContact C-CZ2 3.47Å; K378-W382 HydrophobicContact CB-CH2 4.04Å; K378-W382 HydrophobicContact CB-CZ2 3.68Å; K378-W382 WeakPolarHBondContact O-CZ2 3.49Å; K378-W382 PolarHBondContact O-NE1 3.04Å
379T42.1Very low43.5Very low92 Ų92106 Ų10656%0.56455%0.551SS**G310 helixtrans-78.7-15.8-166.156.90000117.4S377 W382S377-T379 PolarHBondContact O-N 3.15Å; S377-T379 PolarHBondContact OG-N 3.46Å; S377-T379 PolarHBondContact OG-OG1 3.5Å; T379-W382 VanDerWaalsContact CA-NE1 3.29Å; T379-W382 VanDerWaalsContact O-CD1 3.31Å; T379-W382 PolarHBondContact O-NE1 2.98Å
380S39.9Very low42.3Very low70 Ų70111.4 Ų111.449%0.4958%0.581SS.*G310 helixtrans-88.8-23-173.754.40000114.7S377 K378S377-S380 PolarHBondContact O-OG 3.16Å; K378-S380 PolarHBondContact O-N 3.44Å
381L39.1Very low41.1Very low40 Ų40113 Ų11321%0.20959%0.59CS.*G310 helixtrans-87.7-25.7-167.9-82.9157.9000115L359 I376 R383L359-L381 HydrophobicContact CD2-CD1 4.04Å; L359-L381 HydrophobicContact CD2-CD2 4.23Å; I376-L381 HydrophobicContact CG2-CD1 3.8Å; L381-R383 PolarHBondContact O-N 3.39Å
382W35.3Very low40Very low118 Ų118109.7 Ų109.745%0.44758%0.575SS.*G310 helixtrans-73.1-11.7178.32.677000114.7K378 T379K378-W382 VanDerWaalsContact C-CZ2 3.47Å; K378-W382 HydrophobicContact CB-CH2 4.04Å; K378-W382 HydrophobicContact CB-CZ2 3.68Å; K378-W382 WeakPolarHBondContact O-CZ2 3.49Å; K378-W382 PolarHBondContact O-NE1 3.04Å; T379-W382 VanDerWaalsContact CA-NE1 3.29Å; T379-W382 VanDerWaalsContact O-CD1 3.31Å; T379-W382 PolarHBondContact O-NE1 2.98Å
383R33.2Very low38.9Very low183 Ų183116.6 Ų116.669%0.69160%0.602SS**G310 helixtrans-87-27.2-178.6-119.5-173.6-77.9178.8-4.8112.6L381 Y387L381-R383 PolarHBondContact O-N 3.39Å; R383-Y387 WeakPolarHBondContact O-CD2 2.85Å
384V35.9Very low38Very low110 Ų110116.6 Ų116.667%0.66760%0.599SS**THydrogen-bonded Turntrans-85.5-35.3-173.4-177.20000112.4R386 Y387V384-R386 VanDerWaalsContact C-N 3.25Å; V384-R386 PolarHBondContact O-N 3.45Å; V384-Y387 PolarHBondContact O-N 3.28Å
385S35.8Very low37.1Very low86 Ų86121 Ų12160%0.60162%0.623SS**THydrogen-bonded Turntrans-67.4-20.2178.8160.90000114.3
386R34.7Very low36.3Very low193 Ų193120.7 Ų120.773%0.72863%0.626SS**THydrogen-bonded Turntrans-89.8-11.6-179.5-91.3-171.8-81.1177.9-7.4115.1V384V384-R386 VanDerWaalsContact C-N 3.25Å; V384-R386 PolarHBondContact O-N 3.45Å
387Y32.1Very low35.3Very low156 Ų156125.3 Ų125.361%0.61266%0.656SS**THydrogen-bonded Turntrans-94.26.9-169.2-102.6-87.2000115.7R383 V384 M394R383-Y387 WeakPolarHBondContact O-CD2 2.85Å; V384-Y387 PolarHBondContact O-N 3.28Å; Y387-M394 HydrophobicContact CE1-CE 4.39Å; Y387-M394 VanDerWaalsContact OH-CE 3.24Å; Y387-M394 WeakPolarHBondContact OH-CE 3.47Å
388H35.9Very low34.3Very low187 Ų187130.9 Ų130.987%0.86668%0.681SS**THydrogen-bonded Turntrans-98.67.8-178-118.4-34.2000115.7
389G32.9Very low33.4Very low73 Ų73130 Ų13075%0.75368%0.684SS**SBendtrans-127.52.3-173.800000117.2
390D31.6Very low32.7Very low142 Ų142131.7 Ų131.776%0.75969%0.694SS**  trans-127.881.7-173.4-129-8.9000111.4G392D390-G392 PolarHBondContact O-N 3.43Å; D390-G392 VanDerWaalsContact O-N 3.14Å
391N29.6Very low32.3Very low185 Ų185135.3 Ų135.399%0.98971%0.707SS**  trans-80.675.1160.5-78.9-20.1000107.8
392G31.8Very low31.7Very low47 Ų47138.6 Ų138.649%0.48573%0.734SS.*SBendtrans-150.9103.9179.500000110.9D390 M394D390-G392 PolarHBondContact O-N 3.43Å; D390-G392 VanDerWaalsContact O-N 3.14Å; G392-M394 PolarHBondContact O-N 3.36Å
393H29.6Very low31.3Very low177 Ų177143.8 Ų143.882%0.81976%0.755SS**  trans37.880.1158.6-92.6-65000118N395H393-N395 PolarHBondContact O-N 2.94Å
394M34Very low31Very low147 Ų147143 Ų14372%0.72477%0.765SS**  trans-87.486.7154-80.8-91.3172.300108.8Y387 G392Y387-M394 HydrophobicContact CE1-CE 4.39Å; Y387-M394 VanDerWaalsContact OH-CE 3.24Å; Y387-M394 WeakPolarHBondContact OH-CE 3.47Å; G392-M394 PolarHBondContact O-N 3.36Å
395N32.7Very low30.8Very low132 Ų132140.8 Ų140.871%0.70676%0.764SS**  trans-71.7123.8156.4-84.8-6.6000107.8H393 T397H393-N395 PolarHBondContact O-N 2.94Å; N395-T397 PolarHBondContact O-N 3.37Å; N395-T397 VanDerWaalsContact O-N 3.16Å
396N29.6Very low30.3Very low157 Ų157144.4 Ų144.484%0.8478%0.777SS**SBendtrans-52.8112.5170.3-70.5-31.7000111
397T29Very low30.1Very low127 Ų127140.8 Ų140.878%0.77978%0.778SS**  trans-177.585.7147.433.80000108.2N395 N399N395-T397 PolarHBondContact O-N 3.37Å; N395-T397 VanDerWaalsContact O-N 3.16Å; T397-N399 PolarHBondContact O-N 3.39Å
398L28Very low30Very low171 Ų171140 Ų14090%0.89579%0.789SS**  trans-86.591.7162.1-114.5152.6000106.7V400L398-V400 PolarHBondContact O-N 2.9Å
399N27.7Very low29.5Very low137 Ų137134.3 Ų134.373%0.73378%0.781SS**  trans-62.9122.7161.2-97.6-3.8000107.6T397 D401T397-N399 PolarHBondContact O-N 3.39Å; N399-D401 PolarHBondContact O-N 2.98Å; N399-D401 VanDerWaalsContact O-N 3.16Å
400V29.2Very low29.4Very low128 Ų128137.3 Ų137.378%0.77678%0.784SS**  trans-7398.5169.8175.50000106.6L398 S402L398-V400 PolarHBondContact O-N 2.9Å; V400-S402 PolarHBondContact O-N 3.36Å
401D29.7Very low29.1Very low145 Ų145139 Ų13978%0.77579%0.788SS**  trans-73.4108.9167.7-81.5-27.8000109.2N399 Y403N399-D401 PolarHBondContact O-N 2.98Å; N399-D401 VanDerWaalsContact O-N 3.16Å; D401-Y403 PolarHBondContact O-N 3.46Å
402S27Very low29.1Very low110 Ų110139.4 Ų139.477%0.76978%0.781SS**  trans-61.1102.9170.5-52.50000110.5V400 N404V400-S402 PolarHBondContact O-N 3.36Å; S402-N404 PolarHBondContact O-N 3.26Å
403Y28Very low29Very low226 Ų226143.2 Ų143.289%0.88680%0.795SS**  trans-92.298.6166.6-127.5-90.5000109.7D401 G405D401-Y403 PolarHBondContact O-N 3.46Å; Y403-G405 PolarHBondContact O-N 2.99Å
404N27.2Very low28.8Very low168 Ų168145.6 Ų145.690%0.89880%0.796SS**  trans-69.7116.7166.1-108.8-10.3000109S402S402-N404 PolarHBondContact O-N 3.26Å
405G30.6Very low28.7Very low63 Ų63144.3 Ų144.365%0.64980%0.799SS**  trans-178.792.717300000112.2Y403Y403-G405 PolarHBondContact O-N 2.99Å
406N25.6Very low28.3Very low162 Ų162143.5 Ų143.587%0.86680%0.799SS**  trans-58.1141.3166.4-90.7-15.5000110.2
407P30.1Very low28.5Very low116 Ų116143.9 Ų143.975%0.75380%0.799SS**  -144.1132.897.332.3-14.1000115.3
408V29.5Very low28.4Very low140 Ų140143 Ų14385%0.84879%0.794SS**  trans42.2110.2130.5-169.10000118.7
409G26.4Very low28.6Very low68 Ų68140.8 Ų140.870%0.70179%0.788SS**  trans81.1102.3141.200000116.6
410V31.3Very low28.9Very low135 Ų135140.8 Ų140.882%0.81879%0.786SS**  -171.3119.3118.9177.40000107F412V410-F412 HydrophobicContact CG1-CD2 4.01Å; V410-F412 HydrophobicContact CG1-CE2 4.29Å
411E25.3Very low29Very low178 Ų178141.7 Ų141.783%0.83279%0.787SS**  trans-84.7127.2178.8-176.7176.6-158.800110
412F29.4Very low29.3Very low193 Ų193140.2 Ų140.285%0.84679%0.785SS**  trans-147.998.4159.9-94.7-74.6000112.3V410V410-F412 HydrophobicContact CG1-CD2 4.01Å; V410-F412 HydrophobicContact CG1-CE2 4.29Å
413V28.3Very low29.7Very low128 Ų128140.2 Ų140.278%0.77678%0.783SS**  trans13.4119.4143.3-1690000118.5
414R26.1Very low30Very low226 Ų226136.3 Ų136.385%0.85378%0.782SS**  trans-107.3134.1162.8-177.4-175.9-103.3-177.6-5.4108.7T416R414-T416 PolarHBondContact O-N 3.48Å
415P31.8Very low29.9Very low121 Ų121134.6 Ų134.679%0.78678%0.778SS**  trans-81121.517219.3-8.3000110.4
416T25.6Very low30Very low114 Ų114138 Ų13870%0.69979%0.786SS**  trans-78.5134.6171.2-53.70000109.9R414 T418R414-T416 PolarHBondContact O-N 3.48Å; T416-T418 HydrophobicContact CG2-CG2 3.99Å
417I33.2Very low29.9Very low165 Ų165134.6 Ų134.685%0.84678%0.78SS**  trans-114.7117.4155-63.7178.6000107.4
418T25.8Very low29.7Very low108 Ų108135.4 Ų135.466%0.66379%0.787SS**  trans-95.1137.4173.930.10000110.4T416T416-T418 HydrophobicContact CG2-CG2 3.99Å
419T33.1Very low29.5Very low125 Ų125137.3 Ų137.377%0.76779%0.786SS**  trans-169.893.4147.95.80000107.2
420I33Very low29.6Very low137 Ų137142.2 Ų142.270%0.70380%0.796SS**  77.599.890.6-62.4165.6000113.6
421N32.5Very low29.4Very low147 Ų147141.1 Ų141.179%0.78679%0.79SS**  trans87.9148.3139.2-70.9-3.1000123.7
422P36.6Very low29.6Very low114 Ų114139.4 Ų139.474%0.7479%0.786SS**  trans-128.7-144.6-135.933.5-8000113
423P35.4Very low29.4Very low111 Ų111134.5 Ų134.572%0.72178%0.776SS**  -114.5163.3-90.536.6-20.5000113.5
424V33.2Very low29.5Very low143 Ų143136.4 Ų136.487%0.86778%0.776SS**  trans-132.4110.8162.2-179.10000110.5
425T25.9Very low29.8Very low132 Ų132131.9 Ų131.981%0.8177%0.773SS**  trans-67.7134.9164.334.40000111.9
426V31.1Very low29.6Very low136 Ų136134.3 Ų134.382%0.82478%0.779SS**  trans-139114.3144-177.90000107.9
427A24.2Very low29.9Very low90 Ų90138.6 Ų138.674%0.74479%0.788SS**  trans-84.4143.9171.300000110
428C27.1Very low29.9Very low132 Ų132140.4 Ų140.489%0.89279%0.79SS**  trans-141.3108.5149.6-880000108.3
429E23.5Very low30.2Very low180 Ų180140.3 Ų140.384%0.84179%0.793SS**  trans-60.7136.7164.5-134.5170.917700110
430L29.9Very low30.2Very low172 Ų172139.8 Ų139.890%0.90179%0.791SS**  trans-166.4132.1131.5-131.776.3000112.2
431T27.3Very low30.4Very low112 Ų112140.9 Ų140.969%0.68780%0.798SS**  trans-78.8164.6178.638.20000113
432N28.3Very low30.5Very low142 Ų142139.7 Ų139.776%0.75980%0.801SS**  trans86.3102.7157.4-70-11.6000120.8
433S26.4Very low30.4Very low90 Ų90139.5 Ų139.563%0.62980%0.802SS**  81.6137.4113.776.40000120.8
434H30.8Very low30.4Very low167 Ų167141.2 Ų141.277%0.77381%0.81SS**  trans91.8120.1155.2-64-68000120.2
435T30.7Very low30.4Very low131 Ų131138 Ų13880%0.80481%0.805SS**  trans79.586.614958.10000119.4
436L29.2Very low30.5Very low173 Ų173138.1 Ų138.191%0.90681%0.81SS**  trans-101.4106.8153.1-90.8152.5000109.1
437K31.4Very low30.5Very low203 Ų203137.9 Ų137.988%0.88381%0.813SS**  trans-74.2130.8166.3-91.4179.1174176.50109.3
438F33Very low30.6Very low204 Ų204141.5 Ų141.590%0.89582%0.82SS**  trans-69.1130170.5-80.3-94.4000110.8
439C31.4Very low30.6Very low106 Ų106147 Ų14772%0.71682%0.822SS**  trans-97.5115.9169.5-160.60000108.7N441C439-N441 PolarHBondContact O-N 3.18Å; C439-N441 VanDerWaalsContact O-N 3.15Å
440P33.3Very low30.8Very low114 Ų114144.7 Ų144.774%0.7483%0.825SS**THydrogen-bonded Turntrans-86.683.4179.633.8-28000108.2
441N37.8Very low30.8Very low159 Ų159142 Ų14285%0.8582%0.82SS**THydrogen-bonded Turntrans178.214.7157.7-98.8-9.6000116.6C439C439-N441 PolarHBondContact O-N 3.18Å; C439-N441 VanDerWaalsContact O-N 3.15Å
442C34.5Very low31Very low123 Ų123142.3 Ų142.383%0.83183%0.827SS**  trans-117.3100.9177.8-68.70000112.1
443S34.6Very low31.2Very low109 Ų109141.3 Ų141.376%0.76283%0.831SS**  trans-97.7114.2164.353.40000109.9
444V34.9Very low31.2Very low147 Ų147142.3 Ų142.389%0.89184%0.838SS**SBendtrans81.6103.2160.6-162.80000118.3
445G32.3Very low31.3Very low75 Ų75139.9 Ų139.977%0.77384%0.84SS**  trans90.175.313200000119.1
446C28.4Very low31.4Very low135 Ų135138.2 Ų138.291%0.91283%0.833SS**  trans-67.1131165.3-66.30000112.2
447C30.7Very low31.6Very low132 Ų132135.4 Ų135.489%0.89283%0.829SS**  trans-124.8124.7153.9-87.50000109.9W449C447-W449 PolarHBondContact O-N 3.22Å
448N27.2Very low31.6Very low165 Ų165130.2 Ų130.288%0.88282%0.818SS**  trans-25.5114.4171.3-83.2-19.5000117.2
449W27.7Very low31.5Very low247 Ų247126.1 Ų126.194%0.93681%0.81SS**  trans-171.5112.6132-112.322.2000108.8C447C447-W449 PolarHBondContact O-N 3.22Å
450C27.1Very low31.6Very low133 Ų133127.5 Ų127.590%0.89982%0.815SS**  trans161.983.1149.6-89.30000108.6
451S29.4Very low31.4Very low114 Ų114127.5 Ų127.580%0.79782%0.817SS**  trans-95.1139.1157.6-47.50000107.3
452S31.3Very low31.1Very low119 Ų119130.1 Ų130.183%0.83282%0.821SS**  trans73.2123.8175.572.60000114.6
453S32Very low30.9Very low122 Ų122132.9 Ų132.985%0.85382%0.819SS**  cis-161.3144.536.841.60000110.2
454S28.2Very low30.5Very low111 Ų111134.3 Ų134.378%0.77682%0.819SS**  trans-105.2165.717347.60000110.3
455S32.9Very low30.2Very low115 Ų115134.4 Ų134.480%0.80481%0.812SS**  trans96.7134.8174.378.20000114.2
456S32.3Very low29.8Very low96 Ų96139.1 Ų139.167%0.67181%0.814SS**  cis176148.4-10.240.60000106.3
457S32.6Very low29.8Very low115 Ų115143.1 Ų143.180%0.80481%0.81SS**  trans66.7146.3159.375.70000116.8
458S31.9Very low29.7Very low94 Ų94141 Ų14166%0.65780%0.796SS**  cis-170.5149.83.641.60000108.5
459T31.7Very low29.6Very low118 Ų118140.9 Ų140.972%0.72480%0.796SS**  trans42.1118.2144.5590000119.4
460T33.3Very low29.6Very low134 Ų134134.5 Ų134.582%0.82278%0.784SS**  177.2136.171.5280000111.4
461S28.1Very low29.6Very low114 Ų114134.9 Ų134.980%0.79778%0.777SS**  trans37.8109.1139.3176.80000121.1
462K31.4Very low29.5Very low214 Ų214135.9 Ų135.993%0.9377%0.772SS**  -155.2138.2129.2-110.8171.4-172.9178.70112.4
463K30.4Very low29.4Very low182 Ų182134.8 Ų134.879%0.79176%0.764SS**  trans-65.6151-170.8-100.8170.1168.51720115.7
464N27Very low29.4Very low139 Ų139133.1 Ų133.174%0.74375%0.753SS**  trans69.4121.8151.2-53.9-14000115.4
465I27.8Very low29.4Very low148 Ų148135.1 Ų135.176%0.75975%0.75SS**  -157139.764.7-75.3154.4000108.6
466H24.6Very low29.4Very low175 Ų175135.8 Ų135.881%0.8174%0.743SS**  trans-83.8108.6-177-165.6-66.4000110.6
467W27.3Very low29.3Very low218 Ų218136.2 Ų136.283%0.82675%0.746SS**  trans-113.1123157.4-7992.9000107.8N469W467-N469 PolarHBondContact O-N 3.37Å
468S29.1Very low29.2Very low87 Ų87137.7 Ų137.761%0.60874%0.74SS**  trans-56.9120.4176.636.20000110.8V470S468-V470 PolarHBondContact O-N 2.91Å
469N26.3Very low29.1Very low163 Ų163140.5 Ų140.587%0.87274%0.741SS**  trans-57.6102.9171.3-72.6-31.5000110.3W467W467-N469 PolarHBondContact O-N 3.37Å
470V27.5Very low29.1Very low113 Ų113144.1 Ų144.169%0.68574%0.743SS**  trans-82.6123.11561770000106.4S468 I472S468-V470 PolarHBondContact O-N 2.91Å; V470-I472 VanDerWaalsContact C-N 3.34Å; V470-I472 HydrophobicContact CG1-CG1 4.47Å; V470-I472 PolarHBondContact O-N 3.16Å
471N26.3Very low28.9Very low141 Ų141144.6 Ų144.675%0.75474%0.74SS**  trans-60.192.1174.9-102.4-16.1000109.9S473N471-S473 PolarHBondContact O-N 3.39Å
472I28Very low28.9Very low136 Ų136142.6 Ų142.670%0.69773%0.726SS**  trans-94.173.3169.8-58.5165.3000106.7V470V470-I472 VanDerWaalsContact C-N 3.34Å; V470-I472 HydrophobicContact CG1-CG1 4.47Å; V470-I472 PolarHBondContact O-N 3.16Å
473S29.3Very low28.9Very low95 Ų95141 Ų14166%0.66472%0.719SS**SBendtrans-146.87.2174.955.90000114.6N471N471-S473 PolarHBondContact O-N 3.39Å
474S30.9Very low28.9Very low88 Ų88140.3 Ų140.362%0.61572%0.719SS**SBendtrans-122.56.7176.462.60000115.7
475E29.5Very low29Very low153 Ų153139.6 Ų139.672%0.71571%0.707SS**SBendtrans-103.1-2.6-179.5-76.8-168150.600115.1
476I31.8Very low29.1Very low128 Ų128138 Ų13866%0.65670%0.704SS**THydrogen-bonded Turntrans-89.5-12.6-173-62175.2000112.9
477S30.2Very low29.4Very low105 Ų105134.3 Ų134.373%0.73469%0.69SS**THydrogen-bonded Turntrans-92.1-3.2177.350.50000114.9
478H30.7Very low29.5Very low147 Ų147132 Ų13268%0.68168%0.682SS**SBendtrans-92.6-0.3177.4-92.8-78.1000114.7Y480H478-Y480 VanDerWaalsContact C-N 3.31Å; H478-Y480 PolarHBondContact O-N 3.24Å
479F30.1Very low29.7Very low152 Ų152136.2 Ų136.267%0.66770%0.697SS**THydrogen-bonded Turntrans-77.9-3.8-172.8-108.1-86.5000116
480Y30.5Very low29.9Very low195 Ų195136.4 Ų136.477%0.76570%0.697SS**THydrogen-bonded Turntrans-103.4-3.5-175.2-125.4-92.8000115.1H478H478-Y480 VanDerWaalsContact C-N 3.31Å; H478-Y480 PolarHBondContact O-N 3.24Å
481N30Very low30Very low143 Ų143141.8 Ų141.877%0.76571%0.707SS**SBendtrans-113.19.9-176-89.2-13.2000114.9F483N481-F483 PolarHBondContact O-N 3.18Å
482S28.8Very low30.4Very low73 Ų73140.5 Ų140.551%0.5171%0.706SS.*  trans-104.572.1-175.2-157.90000112H484S482-H484 PolarHBondContact O-N 3.5Å; S482-H484 VanDerWaalsContact OG-C 3.3Å; S482-H484 PolarHBondContact OG-O 3.48Å
483F30.8Very low30.5Very low180 Ų180145.5 Ų145.579%0.78973%0.734SS**SBendtrans-82.539.8150.6-123.8-80.3000108.8N481N481-F483 PolarHBondContact O-N 3.18Å
484H30.6Very low30.6Very low167 Ų167148 Ų14877%0.77374%0.738SS**SBendtrans-178.590.8-177.8-99.6-71.8000107.3S482S482-H484 PolarHBondContact O-N 3.5Å; S482-H484 VanDerWaalsContact OG-C 3.3Å; S482-H484 PolarHBondContact OG-O 3.48Å
485Y29.1Very low30.5Very low125 Ų125151.2 Ų151.249%0.4974%0.744SS.*  trans159.765.8153.8-103.3-80.4000110.8D487 Y488Y485-D487 PolarHBondContact O-N 3.47Å; Y485-Y488 AromaticContact CD1-CD2 3.76Å; Y485-Y488 HydrophobicContact CD1-CD2 3.76Å; Y485-Y488 HydrophobicContact CD1-CE2 4.11Å; Y485-Y488 AromaticContact CE1-CD2 3.63Å; Y485-Y488 HydrophobicContact CE1-CD2 3.63Å; Y485-Y488 AromaticContact CE1-CE2 3.47Å; Y485-Y488 HydrophobicContact CE1-CE2 3.47Å; Y485-Y488 VanDerWaalsContact CE1-CE2 3.47Å
486T28.7Very low30.6Very low114 Ų114151.1 Ų151.170%0.69975%0.746SS**  trans-85.591.8148.135.20000106.2
487D30.9Very low30.5Very low98 Ų98152.4 Ų152.452%0.52475%0.751SS.*  trans175.463.2160-88-22.7000109.6Y485Y485-D487 PolarHBondContact O-N 3.47Å
488Y31.3Very low30.5Very low170 Ų170155.4 Ų155.467%0.66775%0.752SS**  trans-163.872.1164.2-88.8-62.8000110.1R212 Y485R212-Y488 PolarHBondContact NH1-OH 3.48Å; Y485-Y488 AromaticContact CD1-CD2 3.76Å; Y485-Y488 HydrophobicContact CD1-CD2 3.76Å; Y485-Y488 HydrophobicContact CD1-CE2 4.11Å; Y485-Y488 AromaticContact CE1-CD2 3.63Å; Y485-Y488 HydrophobicContact CE1-CD2 3.63Å; Y485-Y488 AromaticContact CE1-CE2 3.47Å; Y485-Y488 HydrophobicContact CE1-CE2 3.47Å; Y485-Y488 VanDerWaalsContact CE1-CE2 3.47Å
489L32.3Very low30.5Very low174 Ų174155.9 Ų155.991%0.91176%0.757SS**SBendtrans-156.920.3165.9-105179.1000115
490L31.1Very low30.6Very low167 Ų167156.2 Ų156.287%0.87476%0.763SS**  trans-138.278.4176.9-79.9163.9000110.5
491Y29.6Very low30.6Very low227 Ų227153.2 Ų153.289%0.8976%0.763SS**  trans-163.1126.8150.3-114.6-82.1000108.4
492P33.8Very low30.6Very low114 Ų114154.1 Ų154.174%0.7476%0.763SS**  trans-82.8122.5169.832.8-26.3000108.8
493D30.3Very low30.8Very low240 Ų240161.5 Ų161.5100%1.28379%0.786SS**  trans-145.70145.7-91.6-27000107.4

Retrieved 493 of 493 residues in 554.3 ms (Link to these results)

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