A0A077Z5G0_TRITR Loading...

Protein suppressor of forked

AlphaFold DB , UniProt , Accession A0A077Z5G0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 778 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
1M45.5Very low63.7Low187 Ų18786.2 Ų86.292%0.92148%0.478SS*.  0-33.30-110.5-158-89.100113A5 E22M1-A5 PolarHBondContact O-N 2.84Å; M1-A5 VanDerWaalsContact O-N 3.16Å; M1-E22 PolarHBondContact N-OE2 2.95Å
2L49Very low65.7Low126 Ų12687.7 Ų87.766%0.6648%0.479SS*.Hα-helixtrans-69.4-30.7177.3-84.8153.3000114.5A5 K6L2-A5 CarbonylContact O-C 3.38Å; L2-A5 WeakPolarHBondContact O-CB 3.37Å; L2-A5 PolarHBondContact O-N 3.32Å; L2-K6 WeakPolarHBondContact O-CG 3.17Å; L2-K6 PolarHBondContact O-N 3.12Å
3V51.4Low67.3Low8 Ų881.2 Ų81.25%0.04844%0.444CS..Hα-helixtrans-68.5-42.7176.71720000111.7A5 K6 G7 L13 E22 V26V3-A5 VanDerWaalsContact C-N 3.25Å; V3-A5 PolarHBondContact O-N 3.03Å; V3-K6 PolarHBondContact O-N 3.22Å; V3-K6 VanDerWaalsContact O-N 3.17Å; V3-G7 PolarHBondContact O-N 3.14Å; V3-L13 HydrophobicContact CB-CD1 4.38Å; V3-L13 HydrophobicContact CG1-CD1 3.77Å; V3-L13 HydrophobicContact CG2-CD1 3.94Å; V3-E22 HydrophobicContact CG2-CB 3.57Å; V3-V26 HydrophobicContact CB-CG2 4.11Å; V3-V26 HydrophobicContact CG1-CB 4.38Å; V3-V26 HydrophobicContact CG1-CG2 4.01Å
4L52.6Low68.9Low126 Ų12675.9 Ų75.966%0.6641%0.414SS*.Hα-helixtrans-63.2-34170.8-68.9172.1000111.5K6 G7L4-K6 VanDerWaalsContact C-N 3.31Å; L4-K6 PolarHBondContact O-N 3.32Å; L4-G7 PolarHBondContact O-N 3.14Å
5A50.9Low70.4Confident81 Ų8180.8 Ų80.867%0.66943%0.43SS*.Hα-helixtrans-71.4-21.3175.700000113.9M1 L2 V3M1-A5 PolarHBondContact O-N 2.84Å; M1-A5 VanDerWaalsContact O-N 3.16Å; L2-A5 CarbonylContact O-C 3.38Å; L2-A5 WeakPolarHBondContact O-CB 3.37Å; L2-A5 PolarHBondContact O-N 3.32Å; V3-A5 VanDerWaalsContact C-N 3.25Å; V3-A5 PolarHBondContact O-N 3.03Å
6K57.3Low71.5Confident122 Ų12284 Ų8453%0.5344%0.442SS..Hα-helixtrans-85.8-12.8176.6-75.8-179.8-179179.30113.5L2 V3 L4 R8L2-K6 WeakPolarHBondContact O-CG 3.17Å; L2-K6 PolarHBondContact O-N 3.12Å; V3-K6 PolarHBondContact O-N 3.22Å; V3-K6 VanDerWaalsContact O-N 3.17Å; L4-K6 VanDerWaalsContact C-N 3.31Å; L4-K6 PolarHBondContact O-N 3.32Å; K6-R8 WeakPolarHBondContact O-CG 3.24Å; K6-R8 PolarHBondContact O-N 3.39Å
7G64.2Low72.5Confident74 Ų7483.8 Ų83.876%0.76344%0.441SS*.THydrogen-bonded Turntrans59.99.618000000115.3V3 L4V3-G7 PolarHBondContact O-N 3.14Å; L4-G7 PolarHBondContact O-N 3.14Å
8R73Confident73.6Confident91 Ų9181.4 Ų81.434%0.34344%0.435SS..  trans-92.1150.9-178.9-64.2-161-72.8169.97.2110.4K6 L13 E16K6-R8 WeakPolarHBondContact O-CG 3.24Å; K6-R8 PolarHBondContact O-N 3.39Å; R8-L13 HydrophobicContact CB-CD2 4.39Å; R8-L13 HydrophobicContact CB-CG 4.45Å; R8-L13 VanDerWaalsContact CZ-CD2 3.47Å; R8-E16 IonicContact CZ-OE2 3.04Å; R8-E16 IonicContact NH1-OE1 3.44Å; R8-E16 PolarHBondContact NH1-OE1 2.9Å; R8-E16 IonicContact NH1-OE2 3.9Å; R8-E16 PolarHBondContact NH1-OE2 2.83Å; R8-E16 IonicContact NH2-OE2 3.47Å; R8-E16 PolarHBondContact NH2-OE2 3.45Å
9D84.5Confident74.5Confident66 Ų6681 Ų8135%0.35343%0.427SS..  trans-69.6128.3176.8-168.928.5000109.7E11 E12 L13 R30D9-E11 PolarHBondContact O-N 3.16Å; D9-E11 VanDerWaalsContact O-N 3.1Å; D9-E12 HydrophobicContact CB-CG 4.22Å; D9-E12 WeakPolarHBondContact O-CB 3.15Å; D9-E12 PolarHBondContact O-N 3.28Å; D9-L13 PolarHBondContact O-N 3.39Å; D9-R30 IonicContact OD1-NH1 2.67Å; D9-R30 PolarHBondContact OD1-NH1 2.99Å
10P84.8Confident75.3Confident0 Ų078.9 Ų78.90%042%0.417CS..Hα-helixtrans-51.3-32.2178.517.3-35.3000114E12 L13 I14 A23 V26 L27 R30P10-E12 VanDerWaalsContact C-N 3.32Å; P10-E12 PolarHBondContact O-N 3.45Å; P10-L13 PolarHBondContact O-N 3.05Å; P10-I14 WeakPolarHBondContact O-CD1 3.25Å; P10-I14 VanDerWaalsContact O-CG1 3.24Å; P10-I14 WeakPolarHBondContact O-CG1 3.42Å; P10-I14 PolarHBondContact O-N 3.5Å; P10-A23 HydrophobicContact CB-CB 4.38Å; P10-A23 WeakPolarHBondContact CB-O 3.43Å; P10-V26 HydrophobicContact CG-CG1 4.33Å; P10-L27 HydrophobicContact CB-CB 4.28Å; P10-R30 VanDerWaalsContact CD-NH1 3.29Å
11E87.1Confident76Confident67 Ų6778 Ų7831%0.31341%0.412SS..Hα-helixtrans-66-32.9177.2-67.8-170.3-168.200113.6D9 K15 H42D9-E11 PolarHBondContact O-N 3.16Å; D9-E11 VanDerWaalsContact O-N 3.1Å; E11-K15 VanDerWaalsContact O-CG 3.28Å; E11-K15 WeakPolarHBondContact O-CG 3.48Å; E11-K15 PolarHBondContact O-N 3Å; E11-K15 VanDerWaalsContact O-N 3.14Å; E11-H42 IonicContact OE1-NE2 3.9Å
12E87.8Confident78Confident104 Ų10473.3 Ų73.349%0.48639%0.387SS..Hα-helixtrans-68.8-42.2175.4-66.2-178.2158.800110.7D9 P10 I14 K15 E16D9-E12 HydrophobicContact CB-CG 4.22Å; D9-E12 WeakPolarHBondContact O-CB 3.15Å; D9-E12 PolarHBondContact O-N 3.28Å; P10-E12 VanDerWaalsContact C-N 3.32Å; P10-E12 PolarHBondContact O-N 3.45Å; E12-I14 VanDerWaalsContact C-N 3.34Å; E12-I14 PolarHBondContact O-N 3.35Å; E12-K15 WeakPolarHBondContact O-CB 3.44Å; E12-K15 PolarHBondContact O-N 2.85Å; E12-K15 VanDerWaalsContact O-N 3.15Å; E12-E16 PolarHBondContact O-N 3.23Å; E12-E16 VanDerWaalsContact O-N 3.07Å
13L86.9Confident80Confident4 Ų467.3 Ų67.32%0.02136%0.356CS..Hα-helixtrans-61.3-43.1175.8-63177000111.5V3 R8 D9 P10 K15 E16 D17 A23V3-L13 HydrophobicContact CB-CD1 4.38Å; V3-L13 HydrophobicContact CG1-CD1 3.77Å; V3-L13 HydrophobicContact CG2-CD1 3.94Å; R8-L13 HydrophobicContact CB-CD2 4.39Å; R8-L13 HydrophobicContact CB-CG 4.45Å; R8-L13 VanDerWaalsContact CZ-CD2 3.47Å; D9-L13 PolarHBondContact O-N 3.39Å; P10-L13 PolarHBondContact O-N 3.05Å; L13-K15 PolarHBondContact O-N 3.4Å; L13-E16 PolarHBondContact O-N 2.91Å; L13-E16 VanDerWaalsContact O-N 3.16Å; L13-D17 PolarHBondContact O-N 2.91Å; L13-A23 HydrophobicContact CB-CB 3.75Å; L13-A23 HydrophobicContact CD1-CB 4.09Å
14I90.4Very high82Confident6 Ų667 Ų673%0.03135%0.354CS..Hα-helixtrans-66.4-27.4177.7-67162.5000112P10 E12 D17 A18 A23 W24 L27P10-I14 WeakPolarHBondContact O-CD1 3.25Å; P10-I14 VanDerWaalsContact O-CG1 3.24Å; P10-I14 WeakPolarHBondContact O-CG1 3.42Å; P10-I14 PolarHBondContact O-N 3.5Å; E12-I14 VanDerWaalsContact C-N 3.34Å; E12-I14 PolarHBondContact O-N 3.35Å; I14-D17 WeakPolarHBondContact CA-O 3.5Å; I14-D17 CarbonylContact O-C 3.46Å; I14-A18 WeakPolarHBondContact O-CA 3.39Å; I14-A18 PolarHBondContact O-N 3.3Å; I14-A23 HydrophobicContact CD1-CB 4.31Å; I14-A23 HydrophobicContact CG1-CB 3.82Å; I14-W24 HydrophobicContact CD1-CD2 3.62Å; I14-W24 HydrophobicContact CD1-CE3 3.84Å; I14-W24 HydrophobicContact CD1-CG 4.05Å; I14-W24 HydrophobicContact CD1-CH2 4.45Å; I14-W24 HydrophobicContact CD1-CZ2 4.23Å; I14-W24 HydrophobicContact CD1-CZ3 4.25Å; I14-W24 HydrophobicContact CG1-CD2 4.16Å; I14-W24 HydrophobicContact CG1-CG 4.31Å; I14-W24 HydrophobicContact CG1-CZ2 4.49Å; I14-W24 HydrophobicContact CG2-CH2 4.27Å; I14-W24 HydrophobicContact CG2-CZ2 3.53Å; I14-L27 HydrophobicContact CD1-CD2 3.7Å
15K90.1Very high83.8Confident150 Ų15067.4 Ų67.465%0.65235%0.348SS*.Hα-helixtrans-74.6-35.3173.9-73.5166.8-172.5165.70111.8E11 E12 L13E11-K15 VanDerWaalsContact O-CG 3.28Å; E11-K15 WeakPolarHBondContact O-CG 3.48Å; E11-K15 PolarHBondContact O-N 3Å; E11-K15 VanDerWaalsContact O-N 3.14Å; E12-K15 WeakPolarHBondContact O-CB 3.44Å; E12-K15 PolarHBondContact O-N 2.85Å; E12-K15 VanDerWaalsContact O-N 3.15Å; L13-K15 PolarHBondContact O-N 3.4Å
16E89Confident85.6Confident132 Ų13264.5 Ų64.562%0.61732%0.321SS*.Hα-helixtrans-69.1-48.3173.5-69.7178.7173.200111.1R8 E12 L13R8-E16 IonicContact CZ-OE2 3.04Å; R8-E16 IonicContact NH1-OE1 3.44Å; R8-E16 PolarHBondContact NH1-OE1 2.9Å; R8-E16 IonicContact NH1-OE2 3.9Å; R8-E16 PolarHBondContact NH1-OE2 2.83Å; R8-E16 IonicContact NH2-OE2 3.47Å; R8-E16 PolarHBondContact NH2-OE2 3.45Å; E12-E16 PolarHBondContact O-N 3.23Å; E12-E16 VanDerWaalsContact O-N 3.07Å; L13-E16 PolarHBondContact O-N 2.91Å; L13-E16 VanDerWaalsContact O-N 3.16Å
17D88.8Confident87.2Confident81 Ų8159.2 Ų59.243%0.43330%0.299SS..  trans-136.8108.7178.3-178.66.3000110.4L13 I14 Y19 D20L13-D17 PolarHBondContact O-N 2.91Å; I14-D17 WeakPolarHBondContact CA-O 3.5Å; I14-D17 CarbonylContact O-C 3.46Å; D17-Y19 PolarHBondContact O-N 2.97Å; D17-Y19 VanDerWaalsContact O-N 3.11Å; D17-Y19 PolarHBondContact OD1-N 3.43Å; D17-D20 HydrophobicContact CB-CB 4.44Å; D17-D20 PolarHBondContact O-N 3.46Å
18A91.1Very high88.5Confident40 Ų4056.2 Ų56.233%0.33127%0.265SS..THydrogen-bonded Turntrans-61.2-22.2179.900000113I14 W24 V49I14-A18 WeakPolarHBondContact O-CA 3.39Å; I14-A18 PolarHBondContact O-N 3.3Å; A18-W24 PolarHBondContact O-NE1 2.92Å; A18-V49 WeakPolarHBondContact O-CG1 3.3Å
19Y91.1Very high89.3Confident74 Ų7456.1 Ų56.129%0.2927%0.268SS..THydrogen-bonded Turntrans-100.512.5-175.5-60.9-76000113.9D17 I21 V49 F50 P232 F302D17-Y19 PolarHBondContact O-N 2.97Å; D17-Y19 VanDerWaalsContact O-N 3.11Å; D17-Y19 PolarHBondContact OD1-N 3.43Å; Y19-I21 PolarHBondContact O-N 3.1Å; Y19-V49 HydrophobicContact CD1-CG1 4.04Å; Y19-V49 HydrophobicContact CE1-CG1 3.93Å; Y19-F50 AromaticContact CD1-CE1 3.8Å; Y19-F50 HydrophobicContact CD1-CE1 3.8Å; Y19-F50 HydrophobicContact CD1-CZ 4.21Å; Y19-P232 HydrophobicContact CD1-CG 4.38Å; Y19-P232 HydrophobicContact CD2-CG 3.71Å; Y19-P232 HydrophobicContact CE1-CG 4.35Å; Y19-P232 HydrophobicContact CE2-CG 3.65Å; Y19-P232 HydrophobicContact CG-CG 4.08Å; Y19-F302 HydrophobicContact CD1-CE2 4.44Å; Y19-F302 HydrophobicContact CD1-CZ 4.45Å; Y19-F302 HydrophobicContact CE1-CE1 4.38Å; Y19-F302 AromaticContact CE1-CE2 3.83Å; Y19-F302 HydrophobicContact CE1-CE2 3.83Å; Y19-F302 AromaticContact CE1-CZ 3.46Å; Y19-F302 HydrophobicContact CE1-CZ 3.46Å; Y19-F302 VanDerWaalsContact CE1-CZ 3.46Å; Y19-F302 AromaticContact CZ-CZ 3.66Å; Y19-F302 WeakPolarHBondContact OH-CZ 3.22Å
20D90.5Very high89.5Confident39 Ų3958.2 Ų58.221%0.20927%0.271CS..  trans-68.896.2175.3-173.3-19000111.6D17 E22 A23 W24D17-D20 HydrophobicContact CB-CB 4.44Å; D17-D20 PolarHBondContact O-N 3.46Å; D20-E22 VanDerWaalsContact C-N 3.3Å; D20-E22 PolarHBondContact O-N 3.2Å; D20-E22 PolarHBondContact OD1-N 3.42Å; D20-E22 VanDerWaalsContact OD1-N 3.08Å; D20-A23 HydrophobicContact CB-CB 3.97Å; D20-A23 PolarHBondContact O-N 3.47Å; D20-A23 PolarHBondContact OD1-N 3.1Å; D20-A23 VanDerWaalsContact OD1-N 3.1Å; D20-W24 PolarHBondContact O-N 3.23Å; D20-W24 VanDerWaalsContact O-N 3.13Å
21I89.8Confident89.6Confident61 Ų6158.6 Ų58.631%0.31327%0.273SS..Hα-helixtrans-59.9-38.8-177.6-55.5171.3000111.7Y19 W24 Y25 V229 V231Y19-I21 PolarHBondContact O-N 3.1Å; I21-W24 PolarHBondContact O-N 3.44Å; I21-Y25 WeakPolarHBondContact O-CB 3.37Å; I21-Y25 PolarHBondContact O-N 3.03Å; I21-V229 HydrophobicContact CD1-CB 4.19Å; I21-V229 HydrophobicContact CG1-CB 4.49Å; I21-V229 HydrophobicContact CG2-CG2 4.47Å; I21-V231 HydrophobicContact CD1-CG1 3.82Å; I21-V231 HydrophobicContact CG1-CG1 3.98Å
22E88.4Confident89.6Confident87 Ų8759.4 Ų59.441%0.40728%0.276SS..Hα-helixtrans-68.9-39.5-177.7-72.2-74.9130.300110.8M1 V3 D20 Y25 V26M1-E22 PolarHBondContact N-OE2 2.95Å; V3-E22 HydrophobicContact CG2-CB 3.57Å; D20-E22 VanDerWaalsContact C-N 3.3Å; D20-E22 PolarHBondContact O-N 3.2Å; D20-E22 PolarHBondContact OD1-N 3.42Å; D20-E22 VanDerWaalsContact OD1-N 3.08Å; E22-Y25 PolarHBondContact O-N 3.1Å; E22-V26 WeakPolarHBondContact O-CG2 3.41Å; E22-V26 PolarHBondContact O-N 3.41Å; E22-V26 VanDerWaalsContact O-N 3.13Å
23A90.6Very high89.5Confident0 Ų063.2 Ų63.20%029%0.291CS..Hα-helixtrans-63.6-45175.900000111.2P10 L13 I14 D20 Y25 V26 L27P10-A23 HydrophobicContact CB-CB 4.38Å; P10-A23 WeakPolarHBondContact CB-O 3.43Å; L13-A23 HydrophobicContact CB-CB 3.75Å; L13-A23 HydrophobicContact CD1-CB 4.09Å; I14-A23 HydrophobicContact CD1-CB 4.31Å; I14-A23 HydrophobicContact CG1-CB 3.82Å; D20-A23 HydrophobicContact CB-CB 3.97Å; D20-A23 PolarHBondContact O-N 3.47Å; D20-A23 PolarHBondContact OD1-N 3.1Å; D20-A23 VanDerWaalsContact OD1-N 3.1Å; A23-Y25 PolarHBondContact O-N 3.11Å; A23-V26 PolarHBondContact O-N 2.94Å; A23-L27 WeakPolarHBondContact O-CB 3.35Å; A23-L27 PolarHBondContact O-N 3.45Å
24W92.8Very high89.5Confident2 Ų266.8 Ų66.81%0.00831%0.31CS..Hα-helixtrans-61.9-41.3174.6-78.9111.6000112.9I14 A18 D20 I21 V26 L27 I28 K45 L46 V49 F50I14-W24 HydrophobicContact CD1-CD2 3.62Å; I14-W24 HydrophobicContact CD1-CE3 3.84Å; I14-W24 HydrophobicContact CD1-CG 4.05Å; I14-W24 HydrophobicContact CD1-CH2 4.45Å; I14-W24 HydrophobicContact CD1-CZ2 4.23Å; I14-W24 HydrophobicContact CD1-CZ3 4.25Å; I14-W24 HydrophobicContact CG1-CD2 4.16Å; I14-W24 HydrophobicContact CG1-CG 4.31Å; I14-W24 HydrophobicContact CG1-CZ2 4.49Å; I14-W24 HydrophobicContact CG2-CH2 4.27Å; I14-W24 HydrophobicContact CG2-CZ2 3.53Å; A18-W24 PolarHBondContact O-NE1 2.92Å; D20-W24 PolarHBondContact O-N 3.23Å; D20-W24 VanDerWaalsContact O-N 3.13Å; I21-W24 PolarHBondContact O-N 3.44Å; W24-V26 PolarHBondContact O-N 2.85Å; W24-L27 HydrophobicContact CE3-CD2 3.9Å; W24-L27 HydrophobicContact CZ3-CD2 3.83Å; W24-L27 PolarHBondContact O-N 3.48Å; W24-I28 VanDerWaalsContact O-CG1 3.24Å; W24-I28 WeakPolarHBondContact O-CG1 3.45Å; W24-I28 PolarHBondContact O-N 2.96Å; W24-K45 HydrophobicContact CH2-CB 4.2Å; W24-K45 HydrophobicContact CH2-CD 3.97Å; W24-K45 HydrophobicContact CH2-CG 3.89Å; W24-K45 HydrophobicContact CZ2-CG 4.44Å; W24-L46 HydrophobicContact CB-CD1 4.34Å; W24-L46 HydrophobicContact CD2-CD1 3.64Å; W24-L46 HydrophobicContact CE3-CB 4.23Å; W24-L46 HydrophobicContact CE3-CD1 3.37Å; W24-L46 HydrophobicContact CE3-CG 4.37Å; W24-L46 HydrophobicContact CG-CD1 4.1Å; W24-L46 HydrophobicContact CH2-CB 4.18Å; W24-L46 HydrophobicContact CH2-CD1 4.42Å; W24-L46 HydrophobicContact CZ3-CB 3.77Å; W24-L46 HydrophobicContact CZ3-CD1 3.8Å; W24-L46 HydrophobicContact CZ3-CG 4.39Å; W24-V49 HydrophobicContact CZ2-CG2 4.25Å; W24-F50 AromaticContact CD1-CE2 3.49Å; W24-F50 VanDerWaalsContact CD1-CE2 3.49Å; W24-F50 AromaticContact CD1-CZ 3.93Å; W24-F50 HydrophobicContact CD2-CE2 4.36Å; W24-F50 AromaticContact CG-CE2 3.99Å; W24-F50 HydrophobicContact CG-CE2 3.99Å; W24-F50 AromaticContact NE1-CE2 3.53Å
25Y90.5Very high89.3Confident135 Ų13570.5 Ų70.553%0.52933%0.334SS..Hα-helixtrans-59.8-45.6177.5-176.7-94.2000112.1I21 E22 A23 H29I21-Y25 WeakPolarHBondContact O-CB 3.37Å; I21-Y25 PolarHBondContact O-N 3.03Å; E22-Y25 PolarHBondContact O-N 3.1Å; A23-Y25 PolarHBondContact O-N 3.11Å; Y25-H29 AromaticContact CD1-CD2 3.74Å; Y25-H29 AromaticContact CE1-CD2 3.32Å; Y25-H29 WeakPolarHBondContact CE1-CD2 3.28Å; Y25-H29 AromaticContact CE1-NE2 3.37Å; Y25-H29 WeakPolarHBondContact CE1-NE2 3.2Å; Y25-H29 AromaticContact CE2-NE2 3.66Å; Y25-H29 AromaticContact CZ-CD2 3.49Å; Y25-H29 VanDerWaalsContact CZ-CD2 3.49Å; Y25-H29 AromaticContact CZ-NE2 3.06Å; Y25-H29 PolarHBondContact O-CD2 3.46Å; Y25-H29 PolarHBondContact O-N 3.12Å; Y25-H29 PolarHBondContact OH-NE2 3.07Å
26V89.6Confident89.1Confident19 Ų1964 Ų6412%0.11531%0.307CS..Hα-helixtrans-64-42.5176.3174.70000110.9V3 P10 E22 A23 W24 H29 R30V3-V26 HydrophobicContact CB-CG2 4.11Å; V3-V26 HydrophobicContact CG1-CB 4.38Å; V3-V26 HydrophobicContact CG1-CG2 4.01Å; P10-V26 HydrophobicContact CG-CG1 4.33Å; E22-V26 WeakPolarHBondContact O-CG2 3.41Å; E22-V26 PolarHBondContact O-N 3.41Å; E22-V26 VanDerWaalsContact O-N 3.13Å; A23-V26 PolarHBondContact O-N 2.94Å; W24-V26 PolarHBondContact O-N 2.85Å; V26-H29 PolarHBondContact O-N 3.13Å; V26-R30 WeakPolarHBondContact O-CG 3.42Å; V26-R30 PolarHBondContact O-N 2.99Å; V26-R30 VanDerWaalsContact O-N 3.16Å
27L90.5Very high88.9Confident11 Ų1162.9 Ų62.96%0.05831%0.305CS..Hα-helixtrans-61.9-47.7178.4-176.359.9000111.5P10 I14 A23 W24 H29 R30 L31P10-L27 HydrophobicContact CB-CB 4.28Å; I14-L27 HydrophobicContact CD1-CD2 3.7Å; A23-L27 WeakPolarHBondContact O-CB 3.35Å; A23-L27 PolarHBondContact O-N 3.45Å; W24-L27 HydrophobicContact CE3-CD2 3.9Å; W24-L27 HydrophobicContact CZ3-CD2 3.83Å; W24-L27 PolarHBondContact O-N 3.48Å; L27-H29 VanDerWaalsContact C-N 3.3Å; L27-H29 PolarHBondContact O-N 3.42Å; L27-R30 WeakPolarHBondContact O-CB 3.26Å; L27-R30 PolarHBondContact O-N 3.37Å; L27-L31 HydrophobicContact CD1-CD1 4.29Å; L27-L31 HydrophobicContact CD1-CG 4.23Å; L27-L31 HydrophobicContact CG-CD1 3.88Å; L27-L31 HydrophobicContact CG-CG 4.28Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.47Å; L27-L31 PolarHBondContact O-N 2.95Å
28I90.9Very high88.8Confident11 Ų1164 Ų646%0.05631%0.31CS..Hα-helixtrans-58.4-41.8178.6-68.6163.4000111.4W24 R30 L31 K32 L46 Y56 V59W24-I28 VanDerWaalsContact O-CG1 3.24Å; W24-I28 WeakPolarHBondContact O-CG1 3.45Å; W24-I28 PolarHBondContact O-N 2.96Å; I28-R30 VanDerWaalsContact C-N 3.31Å; I28-R30 PolarHBondContact O-N 2.74Å; I28-L31 PolarHBondContact O-N 3.04Å; I28-K32 WeakPolarHBondContact O-CG 3.25Å; I28-K32 PolarHBondContact O-N 3.23Å; I28-L46 HydrophobicContact CD1-CD1 4.09Å; I28-L46 HydrophobicContact CD1-CD2 3.67Å; I28-L46 HydrophobicContact CG1-CD2 3.97Å; I28-Y56 HydrophobicContact CD1-CD1 3.85Å; I28-Y56 HydrophobicContact CD1-CE1 3.63Å; I28-V59 HydrophobicContact CG2-CG1 3.91Å
29H89.5Confident88.7Confident89 Ų8962.1 Ų62.141%0.41229%0.294SS..Hα-helixtrans-66.7-29.6177.2-88.2-69.6000113.9Y25 V26 L27Y25-H29 AromaticContact CD1-CD2 3.74Å; Y25-H29 AromaticContact CE1-CD2 3.32Å; Y25-H29 WeakPolarHBondContact CE1-CD2 3.28Å; Y25-H29 AromaticContact CE1-NE2 3.37Å; Y25-H29 WeakPolarHBondContact CE1-NE2 3.2Å; Y25-H29 AromaticContact CE2-NE2 3.66Å; Y25-H29 AromaticContact CZ-CD2 3.49Å; Y25-H29 VanDerWaalsContact CZ-CD2 3.49Å; Y25-H29 AromaticContact CZ-NE2 3.06Å; Y25-H29 PolarHBondContact O-CD2 3.46Å; Y25-H29 PolarHBondContact O-N 3.12Å; Y25-H29 PolarHBondContact OH-NE2 3.07Å; V26-H29 PolarHBondContact O-N 3.13Å; L27-H29 VanDerWaalsContact C-N 3.3Å; L27-H29 PolarHBondContact O-N 3.42Å
30R88.6Confident88.6Confident110 Ų11062 Ų6242%0.41529%0.293SS..Hα-helixtrans-71-50.8171.4-68.8178.7-176.9179.52.3110.4D9 P10 V26 L27 I28 K32 K33D9-R30 IonicContact OD1-NH1 2.67Å; D9-R30 PolarHBondContact OD1-NH1 2.99Å; P10-R30 VanDerWaalsContact CD-NH1 3.29Å; V26-R30 WeakPolarHBondContact O-CG 3.42Å; V26-R30 PolarHBondContact O-N 2.99Å; V26-R30 VanDerWaalsContact O-N 3.16Å; L27-R30 WeakPolarHBondContact O-CB 3.26Å; L27-R30 PolarHBondContact O-N 3.37Å; I28-R30 VanDerWaalsContact C-N 3.31Å; I28-R30 PolarHBondContact O-N 2.74Å; R30-K32 VanDerWaalsContact C-N 3.29Å; R30-K32 PolarHBondContact O-N 2.87Å; R30-K33 WeakPolarHBondContact O-CB 3.21Å; R30-K33 PolarHBondContact O-N 3.04Å
31L87.6Confident88.6Confident9 Ų964.1 Ų64.15%0.04731%0.309CS..Hα-helixtrans-59.2-34.8-177.1-68171.8000113.4L27 I28 K33 D34 C39 H42 F43L27-L31 HydrophobicContact CD1-CD1 4.29Å; L27-L31 HydrophobicContact CD1-CG 4.23Å; L27-L31 HydrophobicContact CG-CD1 3.88Å; L27-L31 HydrophobicContact CG-CG 4.28Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.47Å; L27-L31 PolarHBondContact O-N 2.95Å; I28-L31 PolarHBondContact O-N 3.04Å; L31-K33 PolarHBondContact O-N 2.94Å; L31-D34 PolarHBondContact O-N 3.41Å; L31-C39 HydrophobicContact CB-CB 4.41Å; L31-C39 HydrophobicContact CD2-CB 4.31Å; L31-C39 PolarHBondContact O-SG 2.97Å; L31-H42 HydrophobicContact CD1-CB 3.47Å; L31-H42 VanDerWaalsContact CD1-CB 3.47Å; L31-H42 HydrophobicContact CD2-CB 4.08Å; L31-H42 HydrophobicContact CG-CB 4.43Å; L31-F43 HydrophobicContact CB-CZ 4.25Å
32K86.9Confident88.7Confident84 Ų8463.5 Ų63.537%0.36531%0.305SS..THydrogen-bonded Turntrans-57.9-14.5176.3-77.7-177.9175.5-172.50114.9I28 R30 V59I28-K32 WeakPolarHBondContact O-CG 3.25Å; I28-K32 PolarHBondContact O-N 3.23Å; R30-K32 VanDerWaalsContact C-N 3.29Å; R30-K32 PolarHBondContact O-N 2.87Å; K32-V59 VanDerWaalsContact CE-CG1 3.49Å
33K85.9Confident88.8Confident183 Ų18359.3 Ų59.380%0.79629%0.285SS*.THydrogen-bonded Turntrans-95-19.6178.8-60.5-177.9179.8-178.30113R30 L31R30-K33 WeakPolarHBondContact O-CB 3.21Å; R30-K33 PolarHBondContact O-N 3.04Å; L31-K33 PolarHBondContact O-N 2.94Å
34D86.5Confident88.8Confident79 Ų7962.2 Ų62.242%0.42230%0.299SS..SBendtrans-93.3158-174.9-63-37.2000110.7L31L31-D34 PolarHBondContact O-N 3.41Å
35P86.7Confident88.8Confident84 Ų8466.5 Ų66.555%0.54532%0.318SS..  trans-58.4146173.9-23.733.8000112.6D37 I38 C39P35-D37 PolarHBondContact O-N 3.25Å; P35-D37 VanDerWaalsContact O-N 3.14Å; P35-I38 PolarHBondContact O-N 3.42Å; P35-I38 VanDerWaalsContact O-N 3.13Å; P35-C39 PolarHBondContact O-N 3.29Å; P35-C39 PolarHBondContact O-SG 3.2Å
36I85.1Confident88.9Confident15 Ų1560.1 Ų60.18%0.07729%0.293CS..Hα-helixtrans-57.5-33.3-174.5-172.854000113.4I38 C39 R40 F43 Y60 Q63 E64 A67I36-I38 VanDerWaalsContact C-N 3.27Å; I36-I38 PolarHBondContact O-N 2.78Å; I36-C39 HydrophobicContact CD1-CB 4.42Å; I36-C39 PolarHBondContact O-N 3.24Å; I36-R40 WeakPolarHBondContact O-CB 3.4Å; I36-R40 PolarHBondContact O-N 3.22Å; I36-F43 HydrophobicContact CD1-CD2 4.35Å; I36-F43 HydrophobicContact CD1-CE2 4.36Å; I36-Y60 HydrophobicContact CD1-CE2 4.45Å; I36-Q63 HydrophobicContact CD1-CB 3.96Å; I36-E64 HydrophobicContact CD1-CG 4.04Å; I36-E64 VanDerWaalsContact CG1-CD 3.41Å; I36-E64 HydrophobicContact CG1-CG 4.11Å; I36-E64 WeakPolarHBondContact CG1-OE1 3.48Å; I36-E64 WeakPolarHBondContact CG1-OE2 3.5Å; I36-A67 HydrophobicContact CB-CB 4.05Å; I36-A67 HydrophobicContact CG2-CB 3.54Å
37D84.7Confident89Confident108 Ų10859.4 Ų59.458%0.57829%0.288SS*.Hα-helixtrans-64.1-31.4-177.9-62.4-50.9000113.1P35 R40P35-D37 PolarHBondContact O-N 3.25Å; P35-D37 VanDerWaalsContact O-N 3.14Å; D37-R40 IonicContact OD1-CZ 3.83Å; D37-R40 IonicContact OD1-NH1 3.93Å; D37-R40 PolarHBondContact OD1-NH1 3.4Å; D37-R40 IonicContact OD1-NH2 3.39Å; D37-R40 PolarHBondContact OD1-NH2 3.34Å
38I87.5Confident89Confident103 Ų10367.5 Ų67.553%0.52832%0.323SS..Hα-helixtrans-80.3-31.3174.9-56.1177.5000110.4P35 I36 P41 H42P35-I38 PolarHBondContact O-N 3.42Å; P35-I38 VanDerWaalsContact O-N 3.13Å; I36-I38 VanDerWaalsContact C-N 3.27Å; I36-I38 PolarHBondContact O-N 2.78Å; I38-P41 WeakPolarHBondContact O-CD 3.31Å; I38-H42 PolarHBondContact O-ND1 3.46Å; I38-H42 VanDerWaalsContact O-ND1 3.08Å
39C88.6Confident89Confident1 Ų168.2 Ų68.21%0.00733%0.328CS..Hα-helixtrans-80.9-29.8-176.1-58.20000113.4L31 P35 I36 H42 F43L31-C39 HydrophobicContact CB-CB 4.41Å; L31-C39 HydrophobicContact CD2-CB 4.31Å; L31-C39 PolarHBondContact O-SG 2.97Å; P35-C39 PolarHBondContact O-N 3.29Å; P35-C39 PolarHBondContact O-SG 3.2Å; I36-C39 HydrophobicContact CD1-CB 4.42Å; I36-C39 PolarHBondContact O-N 3.24Å; C39-H42 WeakPolarHBondContact O-CA 3.48Å; C39-H42 WeakPolarHBondContact O-CB 3.48Å; C39-H42 PolarHBondContact O-N 3.24Å; C39-F43 HydrophobicContact CB-CD2 3.77Å; C39-F43 HydrophobicContact CB-CE2 3.51Å; C39-F43 WeakPolarHBondContact O-CD2 3.47Å; C39-F43 PolarHBondContact O-N 3.32Å
40R89.4Confident89.1Confident71 Ų7164.1 Ų64.127%0.26831%0.309SS..Hα-helixtrans-51.1-47.2-174.7-164.9178.9-68.1121.4-1.1113.4I36 D37 H42 F43 E44 Y60 E64 N69I36-R40 WeakPolarHBondContact O-CB 3.4Å; I36-R40 PolarHBondContact O-N 3.22Å; D37-R40 IonicContact OD1-CZ 3.83Å; D37-R40 IonicContact OD1-NH1 3.93Å; D37-R40 PolarHBondContact OD1-NH1 3.4Å; D37-R40 IonicContact OD1-NH2 3.39Å; D37-R40 PolarHBondContact OD1-NH2 3.34Å; R40-H42 VanDerWaalsContact C-N 3.27Å; R40-H42 PolarHBondContact O-N 3.38Å; R40-F43 PolarHBondContact O-N 3.24Å; R40-E44 WeakPolarHBondContact O-CB 3.41Å; R40-E44 WeakPolarHBondContact O-CG 3.43Å; R40-E44 PolarHBondContact O-N 3.49Å; R40-Y60 HydrophobicContact CG-CE2 4.41Å; R40-Y60 WeakPolarHBondContact CG-OH 3.44Å; R40-E64 IonicContact CZ-OE1 3.77Å; R40-E64 IonicContact NE-OE1 3.49Å; R40-E64 PolarHBondContact NE-OE1 2.86Å; R40-E64 IonicContact NH2-OE1 3.73Å; R40-E64 PolarHBondContact NH2-OE1 3.11Å; R40-E64 IonicContact NH2-OE2 2.69Å; R40-E64 PolarHBondContact NH2-OE2 3.12Å; R40-N69 PolarHBondContact NH2-ND2 2.81Å
41P90.9Very high89.2Confident84 Ų8460.9 Ų60.955%0.54530%0.302SS..Hα-helixtrans-61.5-33.8176.9-22.234.3000113.7I38 K45I38-P41 WeakPolarHBondContact O-CD 3.31Å; P41-K45 WeakPolarHBondContact O-CB 3.46Å; P41-K45 PolarHBondContact O-N 3.17Å; P41-K45 VanDerWaalsContact O-N 3.07Å
42H90.8Very high89.3Confident48 Ų4861.4 Ų61.422%0.22231%0.306CS..Hα-helixtrans-74.4-40.8179.2-59.988.8000111.5E11 L31 I38 C39 R40 K45 L46E11-H42 IonicContact OE1-NE2 3.9Å; L31-H42 HydrophobicContact CD1-CB 3.47Å; L31-H42 VanDerWaalsContact CD1-CB 3.47Å; L31-H42 HydrophobicContact CD2-CB 4.08Å; L31-H42 HydrophobicContact CG-CB 4.43Å; I38-H42 PolarHBondContact O-ND1 3.46Å; I38-H42 VanDerWaalsContact O-ND1 3.08Å; C39-H42 WeakPolarHBondContact O-CA 3.48Å; C39-H42 WeakPolarHBondContact O-CB 3.48Å; C39-H42 PolarHBondContact O-N 3.24Å; R40-H42 VanDerWaalsContact C-N 3.27Å; R40-H42 PolarHBondContact O-N 3.38Å; H42-K45 PolarHBondContact O-N 2.77Å; H42-L46 WeakPolarHBondContact O-CB 3.42Å; H42-L46 PolarHBondContact O-N 3.07Å
43F90.7Very high89.6Confident0 Ų058 Ų580%029%0.293CS..Hα-helixtrans-66.2-40.2173.8-73-55.3000112.1L31 I36 C39 R40 K45 L46 V47 V59 Y60 Q63L31-F43 HydrophobicContact CB-CZ 4.25Å; I36-F43 HydrophobicContact CD1-CD2 4.35Å; I36-F43 HydrophobicContact CD1-CE2 4.36Å; C39-F43 HydrophobicContact CB-CD2 3.77Å; C39-F43 HydrophobicContact CB-CE2 3.51Å; C39-F43 WeakPolarHBondContact O-CD2 3.47Å; C39-F43 PolarHBondContact O-N 3.32Å; R40-F43 PolarHBondContact O-N 3.24Å; F43-K45 VanDerWaalsContact C-N 3.31Å; F43-K45 PolarHBondContact O-N 3.43Å; F43-L46 HydrophobicContact CD1-CD2 4.13Å; F43-L46 WeakPolarHBondContact O-CB 3.44Å; F43-L46 PolarHBondContact O-N 3.16Å; F43-L46 VanDerWaalsContact O-N 3.1Å; F43-V47 WeakPolarHBondContact O-CG2 3.23Å; F43-V47 PolarHBondContact O-N 3.34Å; F43-V59 HydrophobicContact CE1-CG1 3.95Å; F43-V59 HydrophobicContact CZ-CG1 4.3Å; F43-Y60 HydrophobicContact CB-CD1 3.94Å; F43-Y60 HydrophobicContact CB-CD2 3.53Å; F43-Y60 HydrophobicContact CB-CE1 4.2Å; F43-Y60 HydrophobicContact CB-CE2 3.86Å; F43-Y60 HydrophobicContact CB-CG 3.62Å; F43-Y60 HydrophobicContact CD1-CG 4.47Å; F43-Y60 AromaticContact CD2-CD2 3.7Å; F43-Y60 HydrophobicContact CD2-CD2 3.7Å; F43-Y60 HydrophobicContact CD2-CE2 4.2Å; F43-Y60 HydrophobicContact CD2-CG 4.42Å; F43-Y60 AromaticContact CG-CD2 3.68Å; F43-Y60 HydrophobicContact CG-CD2 3.68Å; F43-Y60 HydrophobicContact CG-CE2 4.33Å; F43-Y60 AromaticContact CG-CG 3.96Å; F43-Y60 HydrophobicContact CG-CG 3.96Å; F43-Q63 HydrophobicContact CE2-CB 4.35Å; F43-Q63 HydrophobicContact CE2-CG 4.16Å; F43-Q63 HydrophobicContact CZ-CG 4.08Å
44E91.9Very high89.9Confident60 Ų6049.4 Ų49.428%0.2826%0.257SS..Hα-helixtrans-60.8-40.5173.5-77-64.4167.100111.8R40 V47 K48 Y60 R86R40-E44 WeakPolarHBondContact O-CB 3.41Å; R40-E44 WeakPolarHBondContact O-CG 3.43Å; R40-E44 PolarHBondContact O-N 3.49Å; E44-V47 WeakPolarHBondContact O-CG2 3.4Å; E44-K48 WeakPolarHBondContact O-CB 3.1Å; E44-K48 PolarHBondContact O-N 3.24Å; E44-K48 VanDerWaalsContact O-N 3.09Å; E44-Y60 PolarHBondContact OE1-OH 3Å; E44-R86 IonicContact OE1-CZ 3.67Å; E44-R86 IonicContact OE1-NH1 3.64Å; E44-R86 PolarHBondContact OE1-NH1 2.91Å; E44-R86 IonicContact OE1-NH2 3.77Å; E44-R86 PolarHBondContact OE1-NH2 2.83Å; E44-R86 IonicContact OE2-CZ 3.5Å; E44-R86 IonicContact OE2-NH1 2.75Å; E44-R86 IonicContact OE2-NH2 2.71Å; E44-R86 PolarHBondContact OE2-NH2 3.24Å
45K91.9Very high90.1Very high93 Ų9349.4 Ų49.440%0.40426%0.256SS..Hα-helixtrans-63.7-42.5172-169.6-175.7175.1-1740111.7W24 P41 H42 F43 K48 V49W24-K45 HydrophobicContact CH2-CB 4.2Å; W24-K45 HydrophobicContact CH2-CD 3.97Å; W24-K45 HydrophobicContact CH2-CG 3.89Å; W24-K45 HydrophobicContact CZ2-CG 4.44Å; P41-K45 WeakPolarHBondContact O-CB 3.46Å; P41-K45 PolarHBondContact O-N 3.17Å; P41-K45 VanDerWaalsContact O-N 3.07Å; H42-K45 PolarHBondContact O-N 2.77Å; F43-K45 VanDerWaalsContact C-N 3.31Å; F43-K45 PolarHBondContact O-N 3.43Å; K45-K48 PolarHBondContact O-N 3.2Å; K45-V49 WeakPolarHBondContact O-CG2 3.41Å; K45-V49 PolarHBondContact O-N 3.21Å; K45-V49 VanDerWaalsContact O-N 3.1Å
46L92.1Very high90.4Very high1 Ų146 Ų461%0.00523%0.233CC..Hα-helixtrans-60.6-51.9179.817872.4000111.7W24 I28 H42 F43 K48 V49 F50 Y56W24-L46 HydrophobicContact CB-CD1 4.34Å; W24-L46 HydrophobicContact CD2-CD1 3.64Å; W24-L46 HydrophobicContact CE3-CB 4.23Å; W24-L46 HydrophobicContact CE3-CD1 3.37Å; W24-L46 HydrophobicContact CE3-CG 4.37Å; W24-L46 HydrophobicContact CG-CD1 4.1Å; W24-L46 HydrophobicContact CH2-CB 4.18Å; W24-L46 HydrophobicContact CH2-CD1 4.42Å; W24-L46 HydrophobicContact CZ3-CB 3.77Å; W24-L46 HydrophobicContact CZ3-CD1 3.8Å; W24-L46 HydrophobicContact CZ3-CG 4.39Å; I28-L46 HydrophobicContact CD1-CD1 4.09Å; I28-L46 HydrophobicContact CD1-CD2 3.67Å; I28-L46 HydrophobicContact CG1-CD2 3.97Å; H42-L46 WeakPolarHBondContact O-CB 3.42Å; H42-L46 PolarHBondContact O-N 3.07Å; F43-L46 HydrophobicContact CD1-CD2 4.13Å; F43-L46 WeakPolarHBondContact O-CB 3.44Å; F43-L46 PolarHBondContact O-N 3.16Å; F43-L46 VanDerWaalsContact O-N 3.1Å; L46-K48 VanDerWaalsContact C-N 3.28Å; L46-K48 PolarHBondContact O-N 2.89Å; L46-V49 PolarHBondContact O-N 2.82Å; L46-F50 HydrophobicContact CD1-CD2 3.91Å; L46-F50 HydrophobicContact CD1-CE2 4.29Å; L46-F50 PolarHBondContact O-N 3.24Å; L46-Y56 HydrophobicContact CD1-CD2 3.68Å; L46-Y56 HydrophobicContact CD1-CE2 3.8Å; L46-Y56 HydrophobicContact CD1-CG 4.16Å; L46-Y56 HydrophobicContact CD2-CD1 4.24Å; L46-Y56 HydrophobicContact CD2-CD2 4.16Å; L46-Y56 HydrophobicContact CD2-CG 3.8Å; L46-Y56 HydrophobicContact CG-CD2 3.89Å; L46-Y56 HydrophobicContact CG-CG 4.05Å
47V91.4Very high90.8Very high4 Ų446 Ų462%0.02423%0.232CC..Hα-helixtrans-70.2-26.5-178.5-59.70000112.3F43 E44 F50 P51 W57 Y60F43-V47 WeakPolarHBondContact O-CG2 3.23Å; F43-V47 PolarHBondContact O-N 3.34Å; E44-V47 WeakPolarHBondContact O-CG2 3.4Å; V47-F50 CarbonylContact O-C 3.57Å; V47-P51 WeakPolarHBondContact O-CA 3.47Å; V47-P51 VanDerWaalsContact O-N 3.13Å; V47-W57 HydrophobicContact CB-CD2 4.18Å; V47-W57 HydrophobicContact CB-CE3 4.3Å; V47-W57 HydrophobicContact CB-CH2 3.79Å; V47-W57 HydrophobicContact CB-CZ2 3.65Å; V47-W57 HydrophobicContact CB-CZ3 4.12Å; V47-W57 HydrophobicContact CG1-CD2 3.78Å; V47-W57 HydrophobicContact CG1-CE3 3.82Å; V47-W57 HydrophobicContact CG1-CG 4.38Å; V47-W57 HydrophobicContact CG1-CH2 4.22Å; V47-W57 HydrophobicContact CG1-CZ2 4.19Å; V47-W57 HydrophobicContact CG1-CZ3 4.04Å; V47-W57 HydrophobicContact CG2-CH2 3.74Å; V47-W57 HydrophobicContact CG2-CZ2 4.07Å; V47-W57 HydrophobicContact CG2-CZ3 4.08Å; V47-Y60 HydrophobicContact CG1-CD1 4.24Å
48K90.9Very high91.2Very high181 Ų18143 Ų4379%0.78721%0.213SC*.Hα-helixtrans-69-35.3172-175.1174.9-177.9175.30112.8E44 K45 L46E44-K48 WeakPolarHBondContact O-CB 3.1Å; E44-K48 PolarHBondContact O-N 3.24Å; E44-K48 VanDerWaalsContact O-N 3.09Å; K45-K48 PolarHBondContact O-N 3.2Å; L46-K48 VanDerWaalsContact C-N 3.28Å; L46-K48 PolarHBondContact O-N 2.89Å
49V91.3Very high91.3Very high26 Ų2638.6 Ų38.616%0.15819%0.192CC..Hα-helixtrans-78.4-39.6176.3175.40000111.1A18 Y19 W24 K45 L46 P51A18-V49 WeakPolarHBondContact O-CG1 3.3Å; Y19-V49 HydrophobicContact CD1-CG1 4.04Å; Y19-V49 HydrophobicContact CE1-CG1 3.93Å; W24-V49 HydrophobicContact CZ2-CG2 4.25Å; K45-V49 WeakPolarHBondContact O-CG2 3.41Å; K45-V49 PolarHBondContact O-N 3.21Å; K45-V49 VanDerWaalsContact O-N 3.1Å; L46-V49 PolarHBondContact O-N 2.82Å; V49-P51 VanDerWaalsContact O-CD 3.26Å; V49-P51 WeakPolarHBondContact O-CD 3.23Å
50F92.1Very high91.5Very high3 Ų338.9 Ų38.91%0.01319%0.192CC..  trans-121.267.3-177.4-57.9-74.3000112.3Y19 W24 L46 V47 S52 C53 Y56 V229 S230 V231Y19-F50 AromaticContact CD1-CE1 3.8Å; Y19-F50 HydrophobicContact CD1-CE1 3.8Å; Y19-F50 HydrophobicContact CD1-CZ 4.21Å; W24-F50 AromaticContact CD1-CE2 3.49Å; W24-F50 VanDerWaalsContact CD1-CE2 3.49Å; W24-F50 AromaticContact CD1-CZ 3.93Å; W24-F50 HydrophobicContact CD2-CE2 4.36Å; W24-F50 AromaticContact CG-CE2 3.99Å; W24-F50 HydrophobicContact CG-CE2 3.99Å; W24-F50 AromaticContact NE1-CE2 3.53Å; L46-F50 HydrophobicContact CD1-CD2 3.91Å; L46-F50 HydrophobicContact CD1-CE2 4.29Å; L46-F50 PolarHBondContact O-N 3.24Å; V47-F50 CarbonylContact O-C 3.57Å; F50-S52 VanDerWaalsContact C-N 3.25Å; F50-S52 PolarHBondContact O-N 2.77Å; F50-C53 HydrophobicContact CB-CB 3.95Å; F50-C53 PolarHBondContact O-N 2.94Å; F50-Y56 HydrophobicContact CB-CD2 3.81Å; F50-Y56 HydrophobicContact CB-CE2 4.1Å; F50-Y56 AromaticContact CD2-CD2 3.96Å; F50-Y56 HydrophobicContact CD2-CD2 3.96Å; F50-Y56 AromaticContact CD2-CE2 3.63Å; F50-Y56 HydrophobicContact CD2-CE2 3.63Å; F50-Y56 HydrophobicContact CE2-CE2 4.14Å; F50-Y56 HydrophobicContact CG-CD2 4.09Å; F50-Y56 AromaticContact CG-CE2 3.89Å; F50-Y56 HydrophobicContact CG-CE2 3.89Å; F50-V229 HydrophobicContact CD1-CG1 3.35Å; F50-V229 HydrophobicContact CE1-CG1 3.55Å; F50-V229 HydrophobicContact CG-CG1 3.97Å; F50-V229 HydrophobicContact CZ-CG1 4.32Å; F50-S230 WeakPolarHBondContact CD1-O 3.39Å; F50-V231 HydrophobicContact CE1-CG1 4.18Å
51P90.3Very high91.5Very high42 Ų4235.5 Ų35.527%0.27318%0.18SC..THydrogen-bonded Turntrans-63.5-30.3-175.824.8-34.2000112.9V47 V49 C53 W57 V91V47-P51 WeakPolarHBondContact O-CA 3.47Å; V47-P51 VanDerWaalsContact O-N 3.13Å; V49-P51 VanDerWaalsContact O-CD 3.26Å; V49-P51 WeakPolarHBondContact O-CD 3.23Å; P51-C53 VanDerWaalsContact C-N 3.35Å; P51-C53 PolarHBondContact O-N 3.36Å; P51-W57 PolarHBondContact O-NE1 3.46Å; P51-V91 VanDerWaalsContact O-CG2 3.22Å; P51-V91 WeakPolarHBondContact O-CG2 3.48Å
52S90.1Very high91.4Very high19 Ų1935.3 Ų35.313%0.13317%0.172CC..THydrogen-bonded Turntrans-81.7-8-179.365.80000114.4F50 G54 L298F50-S52 VanDerWaalsContact C-N 3.25Å; F50-S52 PolarHBondContact O-N 2.77Å; S52-G54 PolarHBondContact O-N 2.92Å; S52-G54 VanDerWaalsContact O-N 3.15Å; S52-L298 PolarHBondContact OG-O 3.17Å
53C92.6Very high91.2Very high12 Ų1235.2 Ų35.28%0.08117%0.171CC..  trans-84.595.3-172.8-173.70000111.8F50 P51 L55 Y56 W57F50-C53 HydrophobicContact CB-CB 3.95Å; F50-C53 PolarHBondContact O-N 2.94Å; P51-C53 VanDerWaalsContact C-N 3.35Å; P51-C53 PolarHBondContact O-N 3.36Å; C53-L55 PolarHBondContact O-N 3.41Å; C53-Y56 HydrophobicContact CB-CD2 3.62Å; C53-Y56 HydrophobicContact CB-CE2 4.27Å; C53-Y56 HydrophobicContact CB-CG 4.02Å; C53-Y56 PolarHBondContact O-N 2.96Å; C53-Y56 VanDerWaalsContact O-N 3.1Å; C53-Y56 WeakPolarHBondContact SG-CD2 3.4Å; C53-W57 VanDerWaalsContact O-CD1 3.32Å; C53-W57 PolarHBondContact O-N 3.43Å
54G91.4Very high91Very high4 Ų435.7 Ų35.74%0.04117%0.173CC..Hα-helixtrans-59.2-28.7178.300000114.6S52 K58S52-G54 PolarHBondContact O-N 2.92Å; S52-G54 VanDerWaalsContact O-N 3.15Å; G54-K58 VanDerWaalsContact O-CB 3.27Å; G54-K58 WeakPolarHBondContact O-CB 3.31Å; G54-K58 PolarHBondContact O-N 3.32Å
55L92.2Very high90.7Very high79 Ų7935.8 Ų35.841%0.41418%0.175SC..Hα-helixtrans-66.8-38.8176.2-176.664.9000111.9C53 K58 V59C53-L55 PolarHBondContact O-N 3.41Å; L55-K58 PolarHBondContact O-N 2.99Å; L55-V59 VanDerWaalsContact O-CG2 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.35Å; L55-V59 PolarHBondContact O-N 3.28Å
56Y93.1Very high90.4Very high13 Ų1335.2 Ų35.25%0.05119%0.188CC..Hα-helixtrans-72.7-41.6179.2-66.4-16.8000111.7I28 L46 F50 C53 K58 V59 Y60 V229I28-Y56 HydrophobicContact CD1-CD1 3.85Å; I28-Y56 HydrophobicContact CD1-CE1 3.63Å; L46-Y56 HydrophobicContact CD1-CD2 3.68Å; L46-Y56 HydrophobicContact CD1-CE2 3.8Å; L46-Y56 HydrophobicContact CD1-CG 4.16Å; L46-Y56 HydrophobicContact CD2-CD1 4.24Å; L46-Y56 HydrophobicContact CD2-CD2 4.16Å; L46-Y56 HydrophobicContact CD2-CG 3.8Å; L46-Y56 HydrophobicContact CG-CD2 3.89Å; L46-Y56 HydrophobicContact CG-CG 4.05Å; F50-Y56 HydrophobicContact CB-CD2 3.81Å; F50-Y56 HydrophobicContact CB-CE2 4.1Å; F50-Y56 AromaticContact CD2-CD2 3.96Å; F50-Y56 HydrophobicContact CD2-CD2 3.96Å; F50-Y56 AromaticContact CD2-CE2 3.63Å; F50-Y56 HydrophobicContact CD2-CE2 3.63Å; F50-Y56 HydrophobicContact CE2-CE2 4.14Å; F50-Y56 HydrophobicContact CG-CD2 4.09Å; F50-Y56 AromaticContact CG-CE2 3.89Å; F50-Y56 HydrophobicContact CG-CE2 3.89Å; C53-Y56 HydrophobicContact CB-CD2 3.62Å; C53-Y56 HydrophobicContact CB-CE2 4.27Å; C53-Y56 HydrophobicContact CB-CG 4.02Å; C53-Y56 PolarHBondContact O-N 2.96Å; C53-Y56 VanDerWaalsContact O-N 3.1Å; C53-Y56 WeakPolarHBondContact SG-CD2 3.4Å; Y56-K58 VanDerWaalsContact C-N 3.34Å; Y56-K58 PolarHBondContact O-N 3.03Å; Y56-V59 PolarHBondContact O-N 3.31Å; Y56-Y60 PolarHBondContact O-N 3.48Å; Y56-V229 HydrophobicContact CE2-CG1 3.97Å; Y56-V229 HydrophobicContact CE2-CG2 4.16Å
57W93Very high90Very high15 Ų1537.5 Ų37.56%0.05721%0.207CC..Hα-helixtrans-56.7-47.4169.5-76.8111.3000112V47 P51 C53 V59 Y60 I61 L83 R86 C87 L96V47-W57 HydrophobicContact CB-CD2 4.18Å; V47-W57 HydrophobicContact CB-CE3 4.3Å; V47-W57 HydrophobicContact CB-CH2 3.79Å; V47-W57 HydrophobicContact CB-CZ2 3.65Å; V47-W57 HydrophobicContact CB-CZ3 4.12Å; V47-W57 HydrophobicContact CG1-CD2 3.78Å; V47-W57 HydrophobicContact CG1-CE3 3.82Å; V47-W57 HydrophobicContact CG1-CG 4.38Å; V47-W57 HydrophobicContact CG1-CH2 4.22Å; V47-W57 HydrophobicContact CG1-CZ2 4.19Å; V47-W57 HydrophobicContact CG1-CZ3 4.04Å; V47-W57 HydrophobicContact CG2-CH2 3.74Å; V47-W57 HydrophobicContact CG2-CZ2 4.07Å; V47-W57 HydrophobicContact CG2-CZ3 4.08Å; P51-W57 PolarHBondContact O-NE1 3.46Å; C53-W57 VanDerWaalsContact O-CD1 3.32Å; C53-W57 PolarHBondContact O-N 3.43Å; W57-V59 PolarHBondContact O-N 2.78Å; W57-Y60 PolarHBondContact O-N 3.42Å; W57-I61 WeakPolarHBondContact O-CB 3.23Å; W57-I61 VanDerWaalsContact O-CG1 3.29Å; W57-I61 WeakPolarHBondContact O-CG1 3.39Å; W57-I61 PolarHBondContact O-N 2.93Å; W57-L83 HydrophobicContact CZ3-CD2 4.23Å; W57-R86 HydrophobicContact CH2-CB 4.32Å; W57-C87 HydrophobicContact CD2-CB 3.42Å; W57-C87 VanDerWaalsContact CD2-CB 3.42Å; W57-C87 VanDerWaalsContact CE2-CB 3.46Å; W57-C87 HydrophobicContact CE3-CB 3.74Å; W57-C87 HydrophobicContact CG-CB 3.82Å; W57-C87 HydrophobicContact CH2-CB 4.11Å; W57-C87 HydrophobicContact CZ2-CB 3.82Å; W57-C87 HydrophobicContact CZ3-CB 4.07Å; W57-L96 HydrophobicContact CB-CD1 4.01Å; W57-L96 HydrophobicContact CB-CD2 4.38Å
58K92.2Very high89.2Confident43 Ų4339 Ų3919%0.18722%0.224CC..Hα-helixtrans-58.3-47.3176.6174.5-179.7173.7-179.20112G54 L55 Y56 Y60 I61 E62 D95 C99G54-K58 VanDerWaalsContact O-CB 3.27Å; G54-K58 WeakPolarHBondContact O-CB 3.31Å; G54-K58 PolarHBondContact O-N 3.32Å; L55-K58 PolarHBondContact O-N 2.99Å; Y56-K58 VanDerWaalsContact C-N 3.34Å; Y56-K58 PolarHBondContact O-N 3.03Å; K58-Y60 VanDerWaalsContact C-N 3.29Å; K58-Y60 PolarHBondContact O-N 2.94Å; K58-I61 PolarHBondContact O-N 3.43Å; K58-E62 WeakPolarHBondContact CE-OE1 3.47Å; K58-E62 HydrophobicContact CG-CG 4.23Å; K58-E62 IonicContact NZ-OE1 3.98Å; K58-E62 WeakPolarHBondContact O-CB 3.33Å; K58-E62 VanDerWaalsContact O-CG 3.32Å; K58-E62 WeakPolarHBondContact O-CG 3.49Å; K58-E62 PolarHBondContact O-N 3.02Å; K58-D95 HydrophobicContact CD-CB 4.04Å; K58-C99 HydrophobicContact CG-CB 4.29Å
59V91.3Very high88.1Confident12 Ų1232.5 Ų32.57%0.07320%0.198CC..Hα-helixtrans-60.6-42.3179.2167.80000110.9I28 K32 F43 L55 Y56 W57 Q63I28-V59 HydrophobicContact CG2-CG1 3.91Å; K32-V59 VanDerWaalsContact CE-CG1 3.49Å; F43-V59 HydrophobicContact CE1-CG1 3.95Å; F43-V59 HydrophobicContact CZ-CG1 4.3Å; L55-V59 VanDerWaalsContact O-CG2 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.35Å; L55-V59 PolarHBondContact O-N 3.28Å; Y56-V59 PolarHBondContact O-N 3.31Å; W57-V59 PolarHBondContact O-N 2.78Å; V59-Q63 VanDerWaalsContact O-CG 3.31Å; V59-Q63 WeakPolarHBondContact O-CG 3.48Å; V59-Q63 PolarHBondContact O-N 3.02Å
60Y90.9Very high86.6Confident6 Ų631.8 Ų31.82%0.02419%0.192CC..Hα-helixtrans-63.6-49.1177.9-177.9-161.3000111.4I36 R40 F43 E44 V47 Y56 W57 K58 E62 Q63 E64 L83I36-Y60 HydrophobicContact CD1-CE2 4.45Å; R40-Y60 HydrophobicContact CG-CE2 4.41Å; R40-Y60 WeakPolarHBondContact CG-OH 3.44Å; F43-Y60 HydrophobicContact CB-CD1 3.94Å; F43-Y60 HydrophobicContact CB-CD2 3.53Å; F43-Y60 HydrophobicContact CB-CE1 4.2Å; F43-Y60 HydrophobicContact CB-CE2 3.86Å; F43-Y60 HydrophobicContact CB-CG 3.62Å; F43-Y60 HydrophobicContact CD1-CG 4.47Å; F43-Y60 AromaticContact CD2-CD2 3.7Å; F43-Y60 HydrophobicContact CD2-CD2 3.7Å; F43-Y60 HydrophobicContact CD2-CE2 4.2Å; F43-Y60 HydrophobicContact CD2-CG 4.42Å; F43-Y60 AromaticContact CG-CD2 3.68Å; F43-Y60 HydrophobicContact CG-CD2 3.68Å; F43-Y60 HydrophobicContact CG-CE2 4.33Å; F43-Y60 AromaticContact CG-CG 3.96Å; F43-Y60 HydrophobicContact CG-CG 3.96Å; E44-Y60 PolarHBondContact OE1-OH 3Å; V47-Y60 HydrophobicContact CG1-CD1 4.24Å; Y56-Y60 PolarHBondContact O-N 3.48Å; W57-Y60 PolarHBondContact O-N 3.42Å; K58-Y60 VanDerWaalsContact C-N 3.29Å; K58-Y60 PolarHBondContact O-N 2.94Å; Y60-E62 PolarHBondContact O-N 3.44Å; Y60-Q63 PolarHBondContact O-N 3.4Å; Y60-E64 HydrophobicContact CD2-CG 4.07Å; Y60-E64 HydrophobicContact CE2-CG 3.66Å; Y60-E64 PolarHBondContact O-N 3.22Å; Y60-E64 VanDerWaalsContact O-N 3.13Å; Y60-L83 HydrophobicContact CD1-CD1 4.24Å; Y60-L83 HydrophobicContact CD1-CD2 4.04Å; Y60-L83 HydrophobicContact CE1-CD1 3.94Å; Y60-L83 HydrophobicContact CE1-CD2 3.41Å; Y60-L83 VanDerWaalsContact CE1-CD2 3.41Å; Y60-L83 HydrophobicContact CE1-CG 4.35Å; Y60-L83 HydrophobicContact CE2-CD1 4.26Å
61I89.8Confident84.7Confident0 Ų035.6 Ų35.60%022%0.224CC..Hα-helixtrans-60.9-44.6178.7-68.6164.7000111.3W57 K58 Q63 E64 I65 F70 L83 F84 L96W57-I61 WeakPolarHBondContact O-CB 3.23Å; W57-I61 VanDerWaalsContact O-CG1 3.29Å; W57-I61 WeakPolarHBondContact O-CG1 3.39Å; W57-I61 PolarHBondContact O-N 2.93Å; K58-I61 PolarHBondContact O-N 3.43Å; I61-Q63 VanDerWaalsContact C-N 3.27Å; I61-Q63 PolarHBondContact O-N 3.34Å; I61-E64 PolarHBondContact O-N 3.31Å; I61-I65 HydrophobicContact CG2-CD1 3.73Å; I61-I65 HydrophobicContact CG2-CG1 4.25Å; I61-I65 VanDerWaalsContact O-CG1 3.27Å; I61-I65 WeakPolarHBondContact O-CG1 3.1Å; I61-I65 PolarHBondContact O-N 3.1Å; I61-F70 HydrophobicContact CG2-CZ 4.36Å; I61-L83 HydrophobicContact CG1-CB 4.16Å; I61-L83 HydrophobicContact CG1-CD1 4.27Å; I61-F84 HydrophobicContact CD1-CD1 4Å; I61-F84 HydrophobicContact CD1-CE1 3.8Å; I61-F84 HydrophobicContact CD1-CZ 4.25Å; I61-F84 HydrophobicContact CG2-CE1 4.25Å; I61-F84 HydrophobicContact CG2-CE2 3.99Å; I61-F84 HydrophobicContact CG2-CZ 3.62Å; I61-L96 HydrophobicContact CD1-CD1 3.71Å
62E89.1Confident82.6Confident81 Ų8141.3 Ų41.338%0.37925%0.247SC..Hα-helixtrans-61.2-34.6178.5-76.6178.8166.300112.6K58 Y60 I65 A66K58-E62 WeakPolarHBondContact CE-OE1 3.47Å; K58-E62 HydrophobicContact CG-CG 4.23Å; K58-E62 IonicContact NZ-OE1 3.98Å; K58-E62 WeakPolarHBondContact O-CB 3.33Å; K58-E62 VanDerWaalsContact O-CG 3.32Å; K58-E62 WeakPolarHBondContact O-CG 3.49Å; K58-E62 PolarHBondContact O-N 3.02Å; Y60-E62 PolarHBondContact O-N 3.44Å; E62-I65 PolarHBondContact O-N 3.27Å; E62-A66 WeakPolarHBondContact O-CB 3.48Å; E62-A66 PolarHBondContact O-N 3.07Å
63Q87.6Confident80.4Confident45 Ų4542.8 Ų42.821%0.2126%0.26CS..Hα-helixtrans-70.6-42176.1-69.3-61.2-4500112.2I36 F43 V59 Y60 I61 I65 A66 A67I36-Q63 HydrophobicContact CD1-CB 3.96Å; F43-Q63 HydrophobicContact CE2-CB 4.35Å; F43-Q63 HydrophobicContact CE2-CG 4.16Å; F43-Q63 HydrophobicContact CZ-CG 4.08Å; V59-Q63 VanDerWaalsContact O-CG 3.31Å; V59-Q63 WeakPolarHBondContact O-CG 3.48Å; V59-Q63 PolarHBondContact O-N 3.02Å; Y60-Q63 PolarHBondContact O-N 3.4Å; I61-Q63 VanDerWaalsContact C-N 3.27Å; I61-Q63 PolarHBondContact O-N 3.34Å; Q63-I65 VanDerWaalsContact C-N 3.29Å; Q63-I65 PolarHBondContact O-N 3.03Å; Q63-A66 PolarHBondContact O-N 3.36Å; Q63-A67 PolarHBondContact O-N 2.96Å
64E86.4Confident77.9Confident10 Ų1049.2 Ų49.25%0.04729%0.289CS..Hα-helixtrans-64.3-35.9173.5-69.6-76.3-175.500110.9I36 R40 Y60 I61 A67 N69 F70 L83I36-E64 HydrophobicContact CD1-CG 4.04Å; I36-E64 VanDerWaalsContact CG1-CD 3.41Å; I36-E64 HydrophobicContact CG1-CG 4.11Å; I36-E64 WeakPolarHBondContact CG1-OE1 3.48Å; I36-E64 WeakPolarHBondContact CG1-OE2 3.5Å; R40-E64 IonicContact CZ-OE1 3.77Å; R40-E64 IonicContact NE-OE1 3.49Å; R40-E64 PolarHBondContact NE-OE1 2.86Å; R40-E64 IonicContact NH2-OE1 3.73Å; R40-E64 PolarHBondContact NH2-OE1 3.11Å; R40-E64 IonicContact NH2-OE2 2.69Å; R40-E64 PolarHBondContact NH2-OE2 3.12Å; Y60-E64 HydrophobicContact CD2-CG 4.07Å; Y60-E64 HydrophobicContact CE2-CG 3.66Å; Y60-E64 PolarHBondContact O-N 3.22Å; Y60-E64 VanDerWaalsContact O-N 3.13Å; I61-E64 PolarHBondContact O-N 3.31Å; E64-A67 PolarHBondContact O-N 3.13Å; E64-N69 PolarHBondContact OE2-ND2 3.3Å; E64-F70 HydrophobicContact CB-CD2 4.32Å; E64-F70 HydrophobicContact CB-CE2 3.45Å; E64-F70 VanDerWaalsContact CB-CE2 3.45Å; E64-F70 HydrophobicContact CB-CZ 4.14Å; E64-F70 WeakPolarHBondContact O-CD2 3.28Å; E64-L83 HydrophobicContact CG-CD1 4.06Å
65I84.6Confident75Confident62 Ų6254.2 Ų54.232%0.31832%0.324SS..Hα-helixtrans-65.9-44.7175.8-67.5171.9000109.9I61 E62 Q63 A67 G68 F70 Y103I61-I65 HydrophobicContact CG2-CD1 3.73Å; I61-I65 HydrophobicContact CG2-CG1 4.25Å; I61-I65 VanDerWaalsContact O-CG1 3.27Å; I61-I65 WeakPolarHBondContact O-CG1 3.1Å; I61-I65 PolarHBondContact O-N 3.1Å; E62-I65 PolarHBondContact O-N 3.27Å; Q63-I65 VanDerWaalsContact C-N 3.29Å; Q63-I65 PolarHBondContact O-N 3.03Å; I65-A67 VanDerWaalsContact C-N 3.28Å; I65-A67 PolarHBondContact O-N 3.29Å; I65-G68 PolarHBondContact O-N 3.5Å; I65-G68 VanDerWaalsContact O-N 3.13Å; I65-F70 HydrophobicContact CB-CD2 4.02Å; I65-F70 HydrophobicContact CB-CE2 4.02Å; I65-F70 HydrophobicContact CD1-CE2 4.43Å; I65-F70 HydrophobicContact CG1-CD2 3.47Å; I65-F70 VanDerWaalsContact CG1-CD2 3.47Å; I65-F70 HydrophobicContact CG1-CE2 3.23Å; I65-F70 HydrophobicContact CG1-CG 4.17Å; I65-F70 HydrophobicContact CG1-CZ 3.81Å; I65-Y103 HydrophobicContact CD1-CD2 3.88Å; I65-Y103 HydrophobicContact CD1-CG 4.35Å; I65-Y103 HydrophobicContact CG1-CD2 4.2Å
66A85.7Confident72.1Confident81 Ų8155.5 Ų55.567%0.66933%0.334SS*.Hα-helixtrans-64.6-31.917900000112.9E62 Q63 G68E62-A66 WeakPolarHBondContact O-CB 3.48Å; E62-A66 PolarHBondContact O-N 3.07Å; Q63-A66 PolarHBondContact O-N 3.36Å; A66-G68 PolarHBondContact O-N 3.28Å
67A83.2Confident68.9Low49 Ų4959.8 Ų59.841%0.40537%0.366SS..THydrogen-bonded Turntrans-72.5-10.6175.900000113.8I36 Q63 E64 I65 N69I36-A67 HydrophobicContact CB-CB 4.05Å; I36-A67 HydrophobicContact CG2-CB 3.54Å; Q63-A67 PolarHBondContact O-N 2.96Å; E64-A67 PolarHBondContact O-N 3.13Å; I65-A67 VanDerWaalsContact C-N 3.28Å; I65-A67 PolarHBondContact O-N 3.29Å; A67-N69 PolarHBondContact O-N 2.79Å
68G75.6Confident65.8Low37 Ų3765 Ų6538%0.38139%0.394SS..THydrogen-bonded Turntrans77.27179.900000114.4I65 A66 F70 A71I65-G68 PolarHBondContact O-N 3.5Å; I65-G68 VanDerWaalsContact O-N 3.13Å; A66-G68 PolarHBondContact O-N 3.28Å; G68-F70 PolarHBondContact O-N 3.35Å; G68-F70 VanDerWaalsContact O-N 3.17Å; G68-A71 WeakPolarHBondContact O-CB 3.33Å; G68-A71 PolarHBondContact O-N 3.42Å
69N68.3Low63.3Low44 Ų4469 Ų6924%0.23541%0.413CS..G310 helixtrans-60.8-27.1179.6-66.8-19.8000112.1R40 E64 A67 A71R40-N69 PolarHBondContact NH2-ND2 2.81Å; E64-N69 PolarHBondContact OE2-ND2 3.3Å; A67-N69 PolarHBondContact O-N 2.79Å; N69-A71 VanDerWaalsContact C-N 3.28Å; N69-A71 PolarHBondContact O-N 3.13Å
70F59Low61Low11 Ų1170.6 Ų70.65%0.04842%0.421CS..G310 helixtrans-69.9-17.1176.2-70.8-89.2000115.1I61 E64 I65 G68 Q72 Y103I61-F70 HydrophobicContact CG2-CZ 4.36Å; E64-F70 HydrophobicContact CB-CD2 4.32Å; E64-F70 HydrophobicContact CB-CE2 3.45Å; E64-F70 VanDerWaalsContact CB-CE2 3.45Å; E64-F70 HydrophobicContact CB-CZ 4.14Å; E64-F70 WeakPolarHBondContact O-CD2 3.28Å; I65-F70 HydrophobicContact CB-CD2 4.02Å; I65-F70 HydrophobicContact CB-CE2 4.02Å; I65-F70 HydrophobicContact CD1-CE2 4.43Å; I65-F70 HydrophobicContact CG1-CD2 3.47Å; I65-F70 VanDerWaalsContact CG1-CD2 3.47Å; I65-F70 HydrophobicContact CG1-CE2 3.23Å; I65-F70 HydrophobicContact CG1-CG 4.17Å; I65-F70 HydrophobicContact CG1-CZ 3.81Å; G68-F70 PolarHBondContact O-N 3.35Å; G68-F70 VanDerWaalsContact O-N 3.17Å; F70-Q72 VanDerWaalsContact C-N 3.33Å; F70-Y103 HydrophobicContact CB-CE2 3.83Å; F70-Y103 HydrophobicContact CD1-CD2 4.37Å; F70-Y103 AromaticContact CD1-CE2 3.45Å; F70-Y103 HydrophobicContact CD1-CE2 3.45Å; F70-Y103 VanDerWaalsContact CD1-CE2 3.45Å; F70-Y103 AromaticContact CD1-CZ 3.54Å; F70-Y103 WeakPolarHBondContact CD1-OH 3.45Å; F70-Y103 HydrophobicContact CE1-CE2 4.14Å; F70-Y103 AromaticContact CG-CE2 3.73Å; F70-Y103 HydrophobicContact CG-CE2 3.73Å
71A52Low59.1Low83 Ų8373.4 Ų73.469%0.68645%0.446SS*.G310 helixtrans-79.7-14-177.300000113.5G68 N69G68-A71 WeakPolarHBondContact O-CB 3.33Å; G68-A71 PolarHBondContact O-N 3.42Å; N69-A71 VanDerWaalsContact C-N 3.28Å; N69-A71 PolarHBondContact O-N 3.13Å
72Q46Very low58Low162 Ų16276.9 Ų76.976%0.75746%0.464SS*.G310 helixtrans-96.6-1.5-177.4-70.6-176-6.600114.2F70 E74F70-Q72 VanDerWaalsContact C-N 3.33Å; Q72-E74 VanDerWaalsContact C-N 3.31Å; Q72-E74 PolarHBondContact O-N 3.46Å; Q72-E74 VanDerWaalsContact O-N 3.14Å
73A43.4Very low57.7Low49 Ų4973.4 Ų73.441%0.40545%0.448SS..THydrogen-bonded Turntrans-76.64.4-166.800000116.7D80A73-D80 HydrophobicContact CB-CB 4.09Å
74E41.4Very low57.7Low147 Ų14771.8 Ų71.869%0.68744%0.441SS*.THydrogen-bonded Turntrans-85.7-6.3-175.4-141.8167.2-153.400114Q72 R111Q72-E74 VanDerWaalsContact C-N 3.31Å; Q72-E74 PolarHBondContact O-N 3.46Å; Q72-E74 VanDerWaalsContact O-N 3.14Å; E74-R111 IonicContact OE1-NH1 2.68Å; E74-R111 IonicContact OE2-NH1 3.15Å; E74-R111 PolarHBondContact OE2-NH1 3.27Å
75S31.2Very low57.6Low109 Ų10977.4 Ų77.476%0.76247%0.471SS*.SBendtrans-144-6-179.472.30000119.3
76V29.4Very low57.7Low106 Ų10678.1 Ų78.164%0.64247%0.47SS*.  trans-140.7114.7-180-174.10000110.4
77S26.4Very low57.9Low103 Ų10374.3 Ų74.372%0.7244%0.438SS*.  trans-30.4135.7161.4-166.20000112.2
78I29.4Very low58.1Low126 Ų12672.5 Ų72.565%0.64642%0.422SS*.SBend167.7-20.4121-76.6151.3000115
79H38.4Very low58.6Low126 Ų12675.9 Ų75.958%0.58343%0.43SS*.SBendtrans-141.1-17.3-179.8-67.4-54.4000119.3D82H79-D82 WeakPolarHBondContact O-CB 3.5Å; H79-D82 PolarHBondContact O-N 3.17Å
80D43.4Very low59.4Low45 Ų4579 Ų7924%0.24144%0.443CS..THydrogen-bonded Turntrans-91.8-26.6-157.3-46.6-44000116A73 D82A73-D80 HydrophobicContact CB-CB 4.09Å; D80-D82 VanDerWaalsContact C-N 3.25Å
81A50.4Low60.9Low66 Ų6678.6 Ų78.655%0.54544%0.442SS..THydrogen-bonded Turntrans-75.4-20.4167.700000111.8L83 D85A81-L83 PolarHBondContact O-N 3.31Å; A81-D85 VanDerWaalsContact O-CB 3.28Å; A81-D85 WeakPolarHBondContact O-CB 3.4Å; A81-D85 PolarHBondContact O-N 3.49Å
82D66.9Low62.8Low72 Ų7275.5 Ų75.539%0.38541%0.414SS..Hα-helixtrans-65.3-39.5-169.2-16641.3000111.9H79 D80 D85 R86H79-D82 WeakPolarHBondContact O-CB 3.5Å; H79-D82 PolarHBondContact O-N 3.17Å; D80-D82 VanDerWaalsContact C-N 3.25Å; D82-D85 PolarHBondContact O-N 3.33Å; D82-R86 WeakPolarHBondContact O-CB 3.48Å; D82-R86 WeakPolarHBondContact O-CD 3.36Å; D82-R86 WeakPolarHBondContact O-CG 3.1Å; D82-R86 PolarHBondContact O-N 3.15Å; D82-R86 WeakPolarHBondContact OD1-CD 3.43Å; D82-R86 WeakPolarHBondContact OD2-CD 3.48Å; D82-R86 IonicContact OD2-NH1 2.65Å; D82-R86 PolarHBondContact OD2-NH1 3.44Å
83L83.7Confident65Low8 Ų868.6 Ų68.64%0.04238%0.383CS..Hα-helixtrans-68.3-47.7-174.3-66.2-178.1000113.7W57 Y60 I61 E64 A81 R86 C87W57-L83 HydrophobicContact CZ3-CD2 4.23Å; Y60-L83 HydrophobicContact CD1-CD1 4.24Å; Y60-L83 HydrophobicContact CD1-CD2 4.04Å; Y60-L83 HydrophobicContact CE1-CD1 3.94Å; Y60-L83 HydrophobicContact CE1-CD2 3.41Å; Y60-L83 VanDerWaalsContact CE1-CD2 3.41Å; Y60-L83 HydrophobicContact CE1-CG 4.35Å; Y60-L83 HydrophobicContact CE2-CD1 4.26Å; I61-L83 HydrophobicContact CG1-CB 4.16Å; I61-L83 HydrophobicContact CG1-CD1 4.27Å; E64-L83 HydrophobicContact CG-CD1 4.06Å; A81-L83 PolarHBondContact O-N 3.31Å; L83-R86 PolarHBondContact O-N 3.14Å; L83-C87 PolarHBondContact O-N 3.24Å; L83-C87 PolarHBondContact O-SG 3.46Å
84F86.7Confident67.4Low11 Ų1166.4 Ų66.45%0.04837%0.365CS..Hα-helixtrans-67.3-41.4175.8-79.4-63000110.8I61 R86 C87 L88 Y100 Y103I61-F84 HydrophobicContact CD1-CD1 4Å; I61-F84 HydrophobicContact CD1-CE1 3.8Å; I61-F84 HydrophobicContact CD1-CZ 4.25Å; I61-F84 HydrophobicContact CG2-CE1 4.25Å; I61-F84 HydrophobicContact CG2-CE2 3.99Å; I61-F84 HydrophobicContact CG2-CZ 3.62Å; F84-R86 VanDerWaalsContact C-N 3.27Å; F84-R86 PolarHBondContact O-N 2.61Å; F84-C87 PolarHBondContact O-N 3.18Å; F84-L88 WeakPolarHBondContact O-CB 3.45Å; F84-L88 PolarHBondContact O-N 3.07Å; F84-Y100 AromaticContact CD1-CD2 3.88Å; F84-Y100 HydrophobicContact CD1-CD2 3.88Å; F84-Y100 HydrophobicContact CD1-CG 4.43Å; F84-Y100 HydrophobicContact CD2-CD2 4.36Å; F84-Y100 HydrophobicContact CE1-CD2 4.04Å; F84-Y100 HydrophobicContact CE1-CG 4.32Å; F84-Y100 HydrophobicContact CE2-CD2 4.5Å; F84-Y100 HydrophobicContact CG-CD2 4.05Å; F84-Y100 HydrophobicContact CZ-CD2 4.34Å; F84-Y103 HydrophobicContact CD2-CD1 4.36Å; F84-Y103 AromaticContact CE2-CD1 3.67Å; F84-Y103 HydrophobicContact CE2-CD1 3.67Å; F84-Y103 HydrophobicContact CE2-CE1 4.22Å; F84-Y103 AromaticContact CE2-CG 3.97Å; F84-Y103 HydrophobicContact CE2-CG 3.97Å; F84-Y103 HydrophobicContact CZ-CD1 4.41Å; F84-Y103 HydrophobicContact CZ-CG 4.45Å
85D84.8Confident69.8Low129 Ų12961.7 Ų61.769%0.6935%0.345SS*.Hα-helixtrans-63.9-32.7179.2-70.1-16.5000112.1A81 D82A81-D85 VanDerWaalsContact O-CB 3.28Å; A81-D85 WeakPolarHBondContact O-CB 3.4Å; A81-D85 PolarHBondContact O-N 3.49Å; D82-D85 PolarHBondContact O-N 3.33Å
86R86.7Confident72.7Confident77 Ų7756.5 Ų56.529%0.29131%0.308SS..Hα-helixtrans-70.4-35176.6-79.5163.957.6-174.20.3114.3E44 W57 D82 L83 F84E44-R86 IonicContact OE1-CZ 3.67Å; E44-R86 IonicContact OE1-NH1 3.64Å; E44-R86 PolarHBondContact OE1-NH1 2.91Å; E44-R86 IonicContact OE1-NH2 3.77Å; E44-R86 PolarHBondContact OE1-NH2 2.83Å; E44-R86 IonicContact OE2-CZ 3.5Å; E44-R86 IonicContact OE2-NH1 2.75Å; E44-R86 IonicContact OE2-NH2 2.71Å; E44-R86 PolarHBondContact OE2-NH2 3.24Å; W57-R86 HydrophobicContact CH2-CB 4.32Å; D82-R86 WeakPolarHBondContact O-CB 3.48Å; D82-R86 WeakPolarHBondContact O-CD 3.36Å; D82-R86 WeakPolarHBondContact O-CG 3.1Å; D82-R86 PolarHBondContact O-N 3.15Å; D82-R86 WeakPolarHBondContact OD1-CD 3.43Å; D82-R86 WeakPolarHBondContact OD2-CD 3.48Å; D82-R86 IonicContact OD2-NH1 2.65Å; D82-R86 PolarHBondContact OD2-NH1 3.44Å; L83-R86 PolarHBondContact O-N 3.14Å; F84-R86 VanDerWaalsContact C-N 3.27Å; F84-R86 PolarHBondContact O-N 2.61Å
87C89.1Confident75.8Confident1 Ų151.5 Ų51.51%0.00728%0.278CS..Hα-helixtrans-117.8-28-168700000115.4W57 L83 F84 L89 E90 V91W57-C87 HydrophobicContact CD2-CB 3.42Å; W57-C87 VanDerWaalsContact CD2-CB 3.42Å; W57-C87 VanDerWaalsContact CE2-CB 3.46Å; W57-C87 HydrophobicContact CE3-CB 3.74Å; W57-C87 HydrophobicContact CG-CB 3.82Å; W57-C87 HydrophobicContact CH2-CB 4.11Å; W57-C87 HydrophobicContact CZ2-CB 3.82Å; W57-C87 HydrophobicContact CZ3-CB 4.07Å; L83-C87 PolarHBondContact O-N 3.24Å; L83-C87 PolarHBondContact O-SG 3.46Å; F84-C87 PolarHBondContact O-N 3.18Å; C87-L89 PolarHBondContact O-N 3.49Å; C87-E90 PolarHBondContact O-N 2.68Å; C87-V91 HydrophobicContact CB-CG2 4.48Å; C87-V91 WeakPolarHBondContact O-CB 3.36Å; C87-V91 PolarHBondContact O-N 2.96Å
88L88.2Confident79Confident11 Ų1148.8 Ų48.86%0.05825%0.253CS..THydrogen-bonded Turntrans-65.4-38.8-162.9-172.266000113.5F84 L96 W97 Y100 F122F84-L88 WeakPolarHBondContact O-CB 3.45Å; F84-L88 PolarHBondContact O-N 3.07Å; L88-L96 HydrophobicContact CD1-CG 4.35Å; L88-W97 HydrophobicContact CD1-CD2 3.64Å; L88-W97 HydrophobicContact CD1-CE3 3.94Å; L88-W97 HydrophobicContact CD1-CG 4.08Å; L88-W97 HydrophobicContact CD1-CH2 4.19Å; L88-W97 HydrophobicContact CD1-CZ2 3.9Å; L88-W97 HydrophobicContact CD1-CZ3 4.2Å; L88-W97 HydrophobicContact CD2-CE3 4.47Å; L88-W97 HydrophobicContact CD2-CH2 4.01Å; L88-W97 HydrophobicContact CD2-CZ2 4.43Å; L88-W97 HydrophobicContact CD2-CZ3 4.02Å; L88-W97 HydrophobicContact CG-CD2 4.29Å; L88-W97 HydrophobicContact CG-CE3 4.35Å; L88-W97 HydrophobicContact CG-CH2 3.76Å; L88-W97 HydrophobicContact CG-CZ2 3.68Å; L88-W97 HydrophobicContact CG-CZ3 4.09Å; L88-W97 VanDerWaalsContact O-CZ2 3.3Å; L88-W97 WeakPolarHBondContact O-CZ2 3.42Å; L88-W97 PolarHBondContact O-NE1 3.03Å; L88-Y100 HydrophobicContact CD1-CG 4.35Å; L88-Y100 HydrophobicContact CD2-CD1 4.11Å; L88-Y100 HydrophobicContact CD2-CD2 3.79Å; L88-Y100 HydrophobicContact CD2-CE1 4.27Å; L88-Y100 HydrophobicContact CD2-CE2 3.95Å; L88-Y100 HydrophobicContact CD2-CG 3.87Å; L88-F122 HydrophobicContact CD2-CE1 4.35Å
89L86.6Confident82Confident107 Ų10743.4 Ų43.456%0.5623%0.226SC*.THydrogen-bonded Turntrans-80.8-24.8178.9-72.5178.3000113.3C87 F122C87-L89 PolarHBondContact O-N 3.49Å; L89-F122 HydrophobicContact CD2-CZ 3.9Å
90E84.5Confident84.5Confident109 Ų10939.5 Ų39.551%0.50921%0.207SC..THydrogen-bonded Turntrans-85.4-32.9178.8-61.8-168166.300112C87C87-E90 PolarHBondContact O-N 2.68Å
91V90.6Very high86.8Confident3 Ų337.6 Ų37.62%0.01820%0.197CC..  trans-113.493.9-173-174.60000110.3P51 C87 S93 L96 L298P51-V91 VanDerWaalsContact O-CG2 3.22Å; P51-V91 WeakPolarHBondContact O-CG2 3.48Å; C87-V91 HydrophobicContact CB-CG2 4.48Å; C87-V91 WeakPolarHBondContact O-CB 3.36Å; C87-V91 PolarHBondContact O-N 2.96Å; V91-S93 PolarHBondContact O-N 3.46Å; V91-L96 HydrophobicContact CB-CD2 4.02Å; V91-L96 HydrophobicContact CG1-CD2 4.09Å; V91-L298 HydrophobicContact CG1-CD2 4.1Å
92L91.5Very high88.7Confident18 Ų1841.2 Ų41.29%0.09420%0.2CC..  trans-78.942.7179.8-60.3-176.8000113.6W97 K126 V127 Y291 E294 Q295L92-W97 HydrophobicContact CD2-CZ2 4.12Å; L92-K126 HydrophobicContact CD2-CB 4.45Å; L92-V127 HydrophobicContact CB-CG1 4.37Å; L92-Y291 HydrophobicContact CB-CE2 4.22Å; L92-Y291 HydrophobicContact CD1-CD2 4.14Å; L92-Y291 HydrophobicContact CD1-CE2 4.1Å; L92-E294 HydrophobicContact CD1-CB 4.03Å; L92-E294 HydrophobicContact CD1-CG 3.99Å; L92-Q295 PolarHBondContact O-NE2 3.43Å
93S92.8Very high89.7Confident17 Ų1739.8 Ų39.812%0.11919%0.19CC..  trans-82.7123.9180178.20000112V91 D95 L96 W97V91-S93 PolarHBondContact O-N 3.46Å; S93-D95 PolarHBondContact O-N 2.96Å; S93-D95 VanDerWaalsContact O-N 3.11Å; S93-L96 WeakPolarHBondContact O-CB 3.42Å; S93-L96 PolarHBondContact O-N 3.42Å; S93-W97 VanDerWaalsContact O-CD1 3.26Å; S93-W97 PolarHBondContact O-N 3.27Å; S93-W97 VanDerWaalsContact O-N 3.1Å
94I92.4Very high89.9Confident3 Ų339.8 Ų39.82%0.01519%0.19CC..Hα-helixtrans-54.5-35.1-179.5-171.762.3000113.5K98 V127 D130 Q132 I136I94-K98 HydrophobicContact CG1-CD 4.41Å; I94-K98 VanDerWaalsContact O-CG 3.29Å; I94-K98 WeakPolarHBondContact O-CG 3.12Å; I94-K98 PolarHBondContact O-N 3.29Å; I94-V127 HydrophobicContact CD1-CB 4.49Å; I94-V127 HydrophobicContact CD1-CG2 4.28Å; I94-D130 HydrophobicContact CD1-CB 4.23Å; I94-Q132 HydrophobicContact CG1-CB 4.3Å; I94-Q132 HydrophobicContact CG2-CB 4.41Å; I94-I136 HydrophobicContact CD1-CD1 3.46Å; I94-I136 VanDerWaalsContact CD1-CD1 3.46Å; I94-I136 HydrophobicContact CD1-CG1 4.15Å
95D92.8Very high89.9Confident49 Ų4940.4 Ų40.426%0.26220%0.196SC..Hα-helixtrans-69.8-35.8179.1-75.3-53.8000112.8K58 S93 C99K58-D95 HydrophobicContact CD-CB 4.04Å; S93-D95 PolarHBondContact O-N 2.96Å; S93-D95 VanDerWaalsContact O-N 3.11Å; D95-C99 PolarHBondContact O-N 3.35Å; D95-C99 VanDerWaalsContact O-N 3.14Å
96L92.8Very high89.9Confident0 Ų039.9 Ų39.90%019%0.193CC..Hα-helixtrans-69.5-44.1176.3-178.563.3000110.7W57 I61 L88 V91 S93 K98 C99 Y100W57-L96 HydrophobicContact CB-CD1 4.01Å; W57-L96 HydrophobicContact CB-CD2 4.38Å; I61-L96 HydrophobicContact CD1-CD1 3.71Å; L88-L96 HydrophobicContact CD1-CG 4.35Å; V91-L96 HydrophobicContact CB-CD2 4.02Å; V91-L96 HydrophobicContact CG1-CD2 4.09Å; S93-L96 WeakPolarHBondContact O-CB 3.42Å; S93-L96 PolarHBondContact O-N 3.42Å; L96-K98 PolarHBondContact O-N 3.22Å; L96-C99 WeakPolarHBondContact O-CA 3.48Å; L96-C99 VanDerWaalsContact O-CB 3.27Å; L96-C99 WeakPolarHBondContact O-CB 3.39Å; L96-C99 PolarHBondContact O-N 3.2Å; L96-C99 VanDerWaalsContact O-N 3.1Å; L96-Y100 PolarHBondContact O-N 2.79Å
97W93.5Very high89.6Confident0 Ų039.5 Ų39.50%019%0.194CC..Hα-helixtrans-66.3-35.6177.6-77.486.3000112.8L88 L92 S93 C99 Y100 V101 F122 A123 K126 V127 I136L88-W97 HydrophobicContact CD1-CD2 3.64Å; L88-W97 HydrophobicContact CD1-CE3 3.94Å; L88-W97 HydrophobicContact CD1-CG 4.08Å; L88-W97 HydrophobicContact CD1-CH2 4.19Å; L88-W97 HydrophobicContact CD1-CZ2 3.9Å; L88-W97 HydrophobicContact CD1-CZ3 4.2Å; L88-W97 HydrophobicContact CD2-CE3 4.47Å; L88-W97 HydrophobicContact CD2-CH2 4.01Å; L88-W97 HydrophobicContact CD2-CZ2 4.43Å; L88-W97 HydrophobicContact CD2-CZ3 4.02Å; L88-W97 HydrophobicContact CG-CD2 4.29Å; L88-W97 HydrophobicContact CG-CE3 4.35Å; L88-W97 HydrophobicContact CG-CH2 3.76Å; L88-W97 HydrophobicContact CG-CZ2 3.68Å; L88-W97 HydrophobicContact CG-CZ3 4.09Å; L88-W97 VanDerWaalsContact O-CZ2 3.3Å; L88-W97 WeakPolarHBondContact O-CZ2 3.42Å; L88-W97 PolarHBondContact O-NE1 3.03Å; L92-W97 HydrophobicContact CD2-CZ2 4.12Å; S93-W97 VanDerWaalsContact O-CD1 3.26Å; S93-W97 PolarHBondContact O-N 3.27Å; S93-W97 VanDerWaalsContact O-N 3.1Å; W97-C99 VanDerWaalsContact C-N 3.34Å; W97-Y100 HydrophobicContact CE3-CD1 4.28Å; W97-Y100 HydrophobicContact CZ3-CD1 4.47Å; W97-Y100 PolarHBondContact O-N 3.12Å; W97-V101 WeakPolarHBondContact O-CG2 3.33Å; W97-V101 PolarHBondContact O-N 3.17Å; W97-F122 AromaticContact CH2-CD1 3.98Å; W97-F122 HydrophobicContact CH2-CD1 3.98Å; W97-F122 AromaticContact CH2-CE1 3.5Å; W97-F122 HydrophobicContact CH2-CE1 3.5Å; W97-F122 HydrophobicContact CH2-CZ 4.02Å; W97-F122 AromaticContact CZ3-CD1 3.7Å; W97-F122 HydrophobicContact CZ3-CD1 3.7Å; W97-F122 AromaticContact CZ3-CE1 3.68Å; W97-F122 HydrophobicContact CZ3-CE1 3.68Å; W97-A123 HydrophobicContact CE3-CB 3.68Å; W97-A123 HydrophobicContact CZ3-CB 4.09Å; W97-K126 HydrophobicContact CH2-CB 3.68Å; W97-K126 HydrophobicContact CH2-CG 3.65Å; W97-K126 HydrophobicContact CZ2-CB 3.67Å; W97-K126 HydrophobicContact CZ2-CG 3.96Å; W97-K126 HydrophobicContact CZ3-CB 4.29Å; W97-K126 HydrophobicContact CZ3-CG 4.45Å; W97-V127 HydrophobicContact CB-CG1 4.44Å; W97-V127 HydrophobicContact CB-CG2 3.71Å; W97-V127 VanDerWaalsContact CD1-CG1 3.42Å; W97-V127 HydrophobicContact CD2-CG1 4.05Å; W97-V127 HydrophobicContact CD2-CG2 4.01Å; W97-V127 HydrophobicContact CE3-CG2 4.44Å; W97-V127 HydrophobicContact CG-CB 4.35Å; W97-V127 HydrophobicContact CG-CG1 3.71Å; W97-V127 HydrophobicContact CG-CG2 3.69Å; W97-I136 HydrophobicContact CB-CD1 4.28Å
98K93.7Very high89.1Confident47 Ų4740.9 Ų40.920%0.20420%0.2CC..Hα-helixtrans-61.6-41.4169-75.7170.1-177.6168.20112.1I94 L96 K102 S135 I136I94-K98 HydrophobicContact CG1-CD 4.41Å; I94-K98 VanDerWaalsContact O-CG 3.29Å; I94-K98 WeakPolarHBondContact O-CG 3.12Å; I94-K98 PolarHBondContact O-N 3.29Å; L96-K98 PolarHBondContact O-N 3.22Å; K98-K102 VanDerWaalsContact O-CB 3.23Å; K98-K102 WeakPolarHBondContact O-CB 3.37Å; K98-K102 PolarHBondContact O-N 3.03Å; K98-S135 WeakPolarHBondContact CE-OG 3.5Å; K98-I136 HydrophobicContact CG-CD1 4.26Å; K98-I136 HydrophobicContact CG-CG1 3.83Å
99C91.8Very high88.1Confident12 Ų1242.4 Ų42.48%0.08121%0.212CC..Hα-helixtrans-61.7-46.6175.8-170.60000111.1K58 D95 L96 W97 K102 Y103K58-C99 HydrophobicContact CG-CB 4.29Å; D95-C99 PolarHBondContact O-N 3.35Å; D95-C99 VanDerWaalsContact O-N 3.14Å; L96-C99 WeakPolarHBondContact O-CA 3.48Å; L96-C99 VanDerWaalsContact O-CB 3.27Å; L96-C99 WeakPolarHBondContact O-CB 3.39Å; L96-C99 PolarHBondContact O-N 3.2Å; L96-C99 VanDerWaalsContact O-N 3.1Å; W97-C99 VanDerWaalsContact C-N 3.34Å; C99-K102 PolarHBondContact O-N 2.88Å; C99-Y103 WeakPolarHBondContact O-CB 3.47Å; C99-Y103 PolarHBondContact O-N 3.42Å
100Y91.8Very high87Confident44 Ų4443 Ų4317%0.17322%0.22CC..Hα-helixtrans-56.9-54176.2170.1-106.2000112.6F84 L88 L96 W97 K102 Y103 V104 A119 F122F84-Y100 AromaticContact CD1-CD2 3.88Å; F84-Y100 HydrophobicContact CD1-CD2 3.88Å; F84-Y100 HydrophobicContact CD1-CG 4.43Å; F84-Y100 HydrophobicContact CD2-CD2 4.36Å; F84-Y100 HydrophobicContact CE1-CD2 4.04Å; F84-Y100 HydrophobicContact CE1-CG 4.32Å; F84-Y100 HydrophobicContact CE2-CD2 4.5Å; F84-Y100 HydrophobicContact CG-CD2 4.05Å; F84-Y100 HydrophobicContact CZ-CD2 4.34Å; L88-Y100 HydrophobicContact CD1-CG 4.35Å; L88-Y100 HydrophobicContact CD2-CD1 4.11Å; L88-Y100 HydrophobicContact CD2-CD2 3.79Å; L88-Y100 HydrophobicContact CD2-CE1 4.27Å; L88-Y100 HydrophobicContact CD2-CE2 3.95Å; L88-Y100 HydrophobicContact CD2-CG 3.87Å; L96-Y100 PolarHBondContact O-N 2.79Å; W97-Y100 HydrophobicContact CE3-CD1 4.28Å; W97-Y100 HydrophobicContact CZ3-CD1 4.47Å; W97-Y100 PolarHBondContact O-N 3.12Å; Y100-K102 VanDerWaalsContact C-N 3.32Å; Y100-K102 PolarHBondContact O-N 2.93Å; Y100-Y103 WeakPolarHBondContact O-CB 3.39Å; Y100-Y103 PolarHBondContact O-N 3.28Å; Y100-Y103 VanDerWaalsContact O-N 3.17Å; Y100-V104 HydrophobicContact CD2-CG2 4.11Å; Y100-V104 HydrophobicContact CE1-CG2 4.3Å; Y100-V104 HydrophobicContact CE2-CG2 3.68Å; Y100-V104 WeakPolarHBondContact O-CG2 3.27Å; Y100-V104 PolarHBondContact O-N 2.96Å; Y100-A119 HydrophobicContact CE1-CB 4.03Å; Y100-F122 HydrophobicContact CE1-CD1 4.44Å
101V91Very high86.3Confident6 Ų646.4 Ų46.44%0.03623%0.228CC..Hα-helixtrans-62.5-41.3-178.2169.10000111.3W97 V104 S105 F120 A123W97-V101 WeakPolarHBondContact O-CG2 3.33Å; W97-V101 PolarHBondContact O-N 3.17Å; V101-V104 PolarHBondContact O-N 3.36Å; V101-S105 VanDerWaalsContact O-CB 3.25Å; V101-S105 WeakPolarHBondContact O-CB 3.39Å; V101-S105 PolarHBondContact O-N 3.19Å; V101-F120 HydrophobicContact CB-CE1 4.43Å; V101-F120 HydrophobicContact CG1-CD1 3.37Å; V101-F120 HydrophobicContact CG1-CD2 4.26Å; V101-F120 HydrophobicContact CG1-CE1 3Å; V101-F120 HydrophobicContact CG1-CE2 3.92Å; V101-F120 HydrophobicContact CG1-CG 4.01Å; V101-F120 HydrophobicContact CG1-CZ 3.29Å; V101-F120 HydrophobicContact CG2-CD1 4.48Å; V101-A123 HydrophobicContact CG2-CB 3.6Å
102K91Very high85.9Confident142 Ų14249.5 Ų49.562%0.61725%0.245SC*.Hα-helixtrans-63.8-40.7175.6-174.9177.6-179-177.50111.9K98 C99 Y100 N106K98-K102 VanDerWaalsContact O-CB 3.23Å; K98-K102 WeakPolarHBondContact O-CB 3.37Å; K98-K102 PolarHBondContact O-N 3.03Å; C99-K102 PolarHBondContact O-N 2.88Å; Y100-K102 VanDerWaalsContact C-N 3.32Å; Y100-K102 PolarHBondContact O-N 2.93Å; K102-N106 WeakPolarHBondContact O-CB 3.5Å; K102-N106 PolarHBondContact O-N 2.81Å; K102-N106 PolarHBondContact O-ND2 3.4Å
103Y87.7Confident85.6Confident42 Ų4249.8 Ų49.817%0.16525%0.247CC..Hα-helixtrans-61.8-52.4175.3167.1-101.3000111.4I65 F70 F84 C99 Y100 S105 N106 H107I65-Y103 HydrophobicContact CD1-CD2 3.88Å; I65-Y103 HydrophobicContact CD1-CG 4.35Å; I65-Y103 HydrophobicContact CG1-CD2 4.2Å; F70-Y103 HydrophobicContact CB-CE2 3.83Å; F70-Y103 HydrophobicContact CD1-CD2 4.37Å; F70-Y103 AromaticContact CD1-CE2 3.45Å; F70-Y103 HydrophobicContact CD1-CE2 3.45Å; F70-Y103 VanDerWaalsContact CD1-CE2 3.45Å; F70-Y103 AromaticContact CD1-CZ 3.54Å; F70-Y103 WeakPolarHBondContact CD1-OH 3.45Å; F70-Y103 HydrophobicContact CE1-CE2 4.14Å; F70-Y103 AromaticContact CG-CE2 3.73Å; F70-Y103 HydrophobicContact CG-CE2 3.73Å; F84-Y103 HydrophobicContact CD2-CD1 4.36Å; F84-Y103 AromaticContact CE2-CD1 3.67Å; F84-Y103 HydrophobicContact CE2-CD1 3.67Å; F84-Y103 HydrophobicContact CE2-CE1 4.22Å; F84-Y103 AromaticContact CE2-CG 3.97Å; F84-Y103 HydrophobicContact CE2-CG 3.97Å; F84-Y103 HydrophobicContact CZ-CD1 4.41Å; F84-Y103 HydrophobicContact CZ-CG 4.45Å; C99-Y103 WeakPolarHBondContact O-CB 3.47Å; C99-Y103 PolarHBondContact O-N 3.42Å; Y100-Y103 WeakPolarHBondContact O-CB 3.39Å; Y100-Y103 PolarHBondContact O-N 3.28Å; Y100-Y103 VanDerWaalsContact O-N 3.17Å; Y103-S105 VanDerWaalsContact C-N 3.32Å; Y103-S105 PolarHBondContact O-N 2.91Å; Y103-N106 PolarHBondContact O-N 2.7Å; Y103-H107 VanDerWaalsContact O-CB 3.31Å; Y103-H107 WeakPolarHBondContact O-CB 3.48Å; Y103-H107 PolarHBondContact O-N 3.28Å
104V87.4Confident85.3Confident8 Ų857.9 Ų57.95%0.04828%0.275CS..Hα-helixtrans-60.8-43.5179.1176.40000110.8Y100 V101 H107 F108 V116 A119Y100-V104 HydrophobicContact CD2-CG2 4.11Å; Y100-V104 HydrophobicContact CE1-CG2 4.3Å; Y100-V104 HydrophobicContact CE2-CG2 3.68Å; Y100-V104 WeakPolarHBondContact O-CG2 3.27Å; Y100-V104 PolarHBondContact O-N 2.96Å; V101-V104 PolarHBondContact O-N 3.36Å; V104-H107 PolarHBondContact O-N 2.97Å; V104-F108 HydrophobicContact CG1-CD2 3.83Å; V104-F108 HydrophobicContact CG1-CE2 4.42Å; V104-F108 WeakPolarHBondContact O-CD2 3.14Å; V104-F108 PolarHBondContact O-N 2.92Å; V104-V116 HydrophobicContact CG1-CG2 4.36Å; V104-A119 HydrophobicContact CB-CB 4.23Å; V104-A119 HydrophobicContact CG1-CB 3.7Å; V104-A119 HydrophobicContact CG2-CB 4.31Å
105S86.6Confident85.1Confident23 Ų2362.4 Ų62.416%0.16130%0.295CS..Hα-helixtrans-58.4-56.6175.5-178.10000110.2V101 Y103 H107 F108 S109V101-S105 VanDerWaalsContact O-CB 3.25Å; V101-S105 WeakPolarHBondContact O-CB 3.39Å; V101-S105 PolarHBondContact O-N 3.19Å; Y103-S105 VanDerWaalsContact C-N 3.32Å; Y103-S105 PolarHBondContact O-N 2.91Å; S105-H107 VanDerWaalsContact C-N 3.3Å; S105-H107 PolarHBondContact O-N 2.62Å; S105-F108 PolarHBondContact O-N 3.09Å; S105-S109 VanDerWaalsContact C-OG 3.29Å; S105-S109 VanDerWaalsContact O-CA 3.32Å; S105-S109 WeakPolarHBondContact O-CA 2.92Å; S105-S109 WeakPolarHBondContact O-CB 3.39Å; S105-S109 PolarHBondContact O-N 3.5Å; S105-S109 PolarHBondContact O-OG 3.41Å
106N85.2Confident84.9Confident118 Ų11860.1 Ų60.163%0.63128%0.282SS*.Hα-helixtrans-60.4-36.8-177.7-71-14.9000113.7K102 Y103K102-N106 WeakPolarHBondContact O-CB 3.5Å; K102-N106 PolarHBondContact O-N 2.81Å; K102-N106 PolarHBondContact O-ND2 3.4Å; Y103-N106 PolarHBondContact O-N 2.7Å
107H80Confident84.8Confident69 Ų6963.7 Ų63.732%0.31930%0.296SS..Hα-helixtrans-77.9-34.3-175.8-165-83.1000113.2Y103 V104 S105Y103-H107 VanDerWaalsContact O-CB 3.31Å; Y103-H107 WeakPolarHBondContact O-CB 3.48Å; Y103-H107 PolarHBondContact O-N 3.28Å; V104-H107 PolarHBondContact O-N 2.97Å; S105-H107 VanDerWaalsContact C-N 3.3Å; S105-H107 PolarHBondContact O-N 2.62Å
108F79.2Confident84.7Confident30 Ų3067.7 Ų67.713%0.13232%0.317CS..Hα-helixtrans-110.5-6.2-174.4-63.2-74.8000114.9V104 S105 T110 R111 N112 K115 V116V104-F108 HydrophobicContact CG1-CD2 3.83Å; V104-F108 HydrophobicContact CG1-CE2 4.42Å; V104-F108 WeakPolarHBondContact O-CD2 3.14Å; V104-F108 PolarHBondContact O-N 2.92Å; S105-F108 PolarHBondContact O-N 3.09Å; F108-T110 PolarHBondContact O-N 3.02Å; F108-R111 PolarHBondContact O-N 3.49Å; F108-N112 PolarHBondContact O-N 3.35Å; F108-N112 VanDerWaalsContact O-N 3.08Å; F108-K115 HydrophobicContact CD1-CD 3.98Å; F108-K115 HydrophobicContact CD2-CD 4.12Å; F108-K115 HydrophobicContact CE1-CD 3.92Å; F108-K115 HydrophobicContact CE2-CD 4.06Å; F108-K115 HydrophobicContact CG-CD 4.11Å; F108-K115 HydrophobicContact CZ-CD 3.99Å; F108-V116 HydrophobicContact CB-CG2 3.7Å
109S67.9Low84.6Confident43 Ų4365.7 Ų65.730%0.30131%0.31SS..THydrogen-bonded Turntrans-42.2-32.8-166.3-87.30000116.5S105S105-S109 VanDerWaalsContact C-OG 3.29Å; S105-S109 VanDerWaalsContact O-CA 3.32Å; S105-S109 WeakPolarHBondContact O-CA 2.92Å; S105-S109 WeakPolarHBondContact O-CB 3.39Å; S105-S109 PolarHBondContact O-N 3.5Å; S105-S109 PolarHBondContact O-OG 3.41Å
110T63Low84.8Confident119 Ų11965.3 Ų65.373%0.7331%0.307SS*.THydrogen-bonded Turntrans-111.2-14.1-179.555.40000114.6F108F108-T110 PolarHBondContact O-N 3.02Å
111R70.5Confident84.8Confident181 Ų18165 Ų6568%0.68331%0.307SS*.THydrogen-bonded Turntrans-96.6-32.7-173.9-65.4-174.9-177.1-178.92.8112.3E74 F108E74-R111 IonicContact OE1-NH1 2.68Å; E74-R111 IonicContact OE2-NH1 3.15Å; E74-R111 PolarHBondContact OE2-NH1 3.27Å; F108-R111 PolarHBondContact O-N 3.49Å
112N81.3Confident84.7Confident69 Ų6968.2 Ų68.237%0.36932%0.32SS..  trans-155.783.2-173-163.8-24.4000113.5F108 R114 K115 V116F108-N112 PolarHBondContact O-N 3.35Å; F108-N112 VanDerWaalsContact O-N 3.08Å; N112-R114 VanDerWaalsContact C-N 3.26Å; N112-R114 PolarHBondContact O-N 3.25Å; N112-R114 PolarHBondContact OD1-N 3.16Å; N112-K115 HydrophobicContact CB-CB 4.05Å; N112-K115 PolarHBondContact O-N 2.87Å; N112-K115 PolarHBondContact OD1-N 3.49Å; N112-V116 PolarHBondContact O-N 3.17Å
113V85.6Confident84.8Confident23 Ų2361.4 Ų61.414%0.13929%0.291CS..Hα-helixtrans-55.9-38.7176.4-172.40000112.7K115 V116 R117 F143 A147 E152 I153V113-K115 PolarHBondContact O-N 3.23Å; V113-V116 PolarHBondContact O-N 3.45Å; V113-R117 WeakPolarHBondContact O-CB 3.36Å; V113-R117 PolarHBondContact O-N 3.38Å; V113-F143 HydrophobicContact CG1-CE1 4.29Å; V113-F143 HydrophobicContact CG1-CZ 3.8Å; V113-A147 HydrophobicContact CG1-CB 4.07Å; V113-E152 HydrophobicContact CG2-CB 3.87Å; V113-E152 HydrophobicContact CG2-CG 4.1Å; V113-E152 WeakPolarHBondContact CG2-OE2 3.31Å; V113-I153 HydrophobicContact CG1-CD1 3.99Å; V113-I153 HydrophobicContact CG1-CG1 4.22Å
114R87Confident85Confident187 Ų18759.6 Ų59.671%0.70628%0.284SS*.Hα-helixtrans-62-46.1-179.2-64.9-179.5-176171.42110.7N112 V116 R117 D118N112-R114 VanDerWaalsContact C-N 3.26Å; N112-R114 PolarHBondContact O-N 3.25Å; N112-R114 PolarHBondContact OD1-N 3.16Å; R114-V116 VanDerWaalsContact C-N 3.35Å; R114-V116 PolarHBondContact O-N 3.45Å; R114-R117 WeakPolarHBondContact O-CB 3.08Å; R114-R117 PolarHBondContact O-N 2.86Å; R114-D118 WeakPolarHBondContact O-CB 2.98Å; R114-D118 PolarHBondContact O-N 3.34Å
115K87.3Confident85.1Confident99 Ų9963.3 Ų63.343%0.4330%0.303SS..Hα-helixtrans-61.3-41.2178.1-171.7174-178177.20112.4F108 N112 V113 D118 A119F108-K115 HydrophobicContact CD1-CD 3.98Å; F108-K115 HydrophobicContact CD2-CD 4.12Å; F108-K115 HydrophobicContact CE1-CD 3.92Å; F108-K115 HydrophobicContact CE2-CD 4.06Å; F108-K115 HydrophobicContact CG-CD 4.11Å; F108-K115 HydrophobicContact CZ-CD 3.99Å; N112-K115 HydrophobicContact CB-CB 4.05Å; N112-K115 PolarHBondContact O-N 2.87Å; N112-K115 PolarHBondContact OD1-N 3.49Å; V113-K115 PolarHBondContact O-N 3.23Å; K115-D118 PolarHBondContact O-N 2.96Å; K115-A119 PolarHBondContact O-N 3.11Å
116V89.3Confident85.1Confident1 Ų165.9 Ų65.91%0.00631%0.312CS..Hα-helixtrans-65.7-44.9176.7-179.10000110.8V104 F108 N112 V113 R114 D118 A119 F120 F143V104-V116 HydrophobicContact CG1-CG2 4.36Å; F108-V116 HydrophobicContact CB-CG2 3.7Å; N112-V116 PolarHBondContact O-N 3.17Å; V113-V116 PolarHBondContact O-N 3.45Å; R114-V116 VanDerWaalsContact C-N 3.35Å; R114-V116 PolarHBondContact O-N 3.45Å; V116-D118 PolarHBondContact O-N 2.86Å; V116-A119 WeakPolarHBondContact O-CB 3.14Å; V116-A119 PolarHBondContact O-N 3.12Å; V116-F120 HydrophobicContact CG1-CD2 3.87Å; V116-F120 HydrophobicContact CG1-CE2 3.69Å; V116-F120 VanDerWaalsContact O-CD2 3.31Å; V116-F120 WeakPolarHBondContact O-CD2 3.48Å; V116-F120 PolarHBondContact O-N 2.98Å; V116-F143 HydrophobicContact CB-CE1 4.12Å; V116-F143 HydrophobicContact CB-CE2 3.95Å; V116-F143 HydrophobicContact CB-CZ 3.55Å; V116-F143 HydrophobicContact CG1-CD1 4.21Å; V116-F143 HydrophobicContact CG1-CD2 3.94Å; V116-F143 HydrophobicContact CG1-CE1 3.81Å; V116-F143 HydrophobicContact CG1-CE2 3.53Å; V116-F143 HydrophobicContact CG1-CG 4.27Å; V116-F143 HydrophobicContact CG1-CZ 3.45Å; V116-F143 VanDerWaalsContact CG1-CZ 3.45Å; V116-F143 HydrophobicContact CG2-CE2 4.44Å; V116-F143 HydrophobicContact CG2-CZ 4.38Å
117R90.7Very high85.4Confident74 Ų7460.2 Ų60.228%0.27928%0.282SS..Hα-helixtrans-58.6-46.8175.8-171.9-165.266.2-177.6-0.6111.8V113 R114 A119 F120 E121 Y140V113-R117 WeakPolarHBondContact O-CB 3.36Å; V113-R117 PolarHBondContact O-N 3.38Å; R114-R117 WeakPolarHBondContact O-CB 3.08Å; R114-R117 PolarHBondContact O-N 2.86Å; R117-A119 VanDerWaalsContact C-N 3.27Å; R117-A119 PolarHBondContact O-N 2.76Å; R117-F120 PolarHBondContact O-N 2.61Å; R117-E121 PolarHBondContact O-N 2.93Å; R117-Y140 HydrophobicContact CG-CE2 4.04Å; R117-Y140 WeakPolarHBondContact CG-OH 3.36Å
118D91.4Very high85.8Confident84 Ų8457 Ų5745%0.44927%0.267SS..Hα-helixtrans-64.8-33.9-179-61.5-15.5000111R114 K115 V116 F122R114-D118 WeakPolarHBondContact O-CB 2.98Å; R114-D118 PolarHBondContact O-N 3.34Å; K115-D118 PolarHBondContact O-N 2.96Å; V116-D118 PolarHBondContact O-N 2.86Å; D118-F122 VanDerWaalsContact O-CB 3.24Å; D118-F122 WeakPolarHBondContact O-CB 2.97Å; D118-F122 PolarHBondContact O-N 3.35Å
119A91.7Very high86.2Confident6 Ų657.6 Ų57.65%0.0527%0.272CS..Hα-helixtrans-67.5-39172.900000113.3Y100 V104 K115 V116 R117 A123Y100-A119 HydrophobicContact CE1-CB 4.03Å; V104-A119 HydrophobicContact CB-CB 4.23Å; V104-A119 HydrophobicContact CG1-CB 3.7Å; V104-A119 HydrophobicContact CG2-CB 4.31Å; K115-A119 PolarHBondContact O-N 3.11Å; V116-A119 WeakPolarHBondContact O-CB 3.14Å; V116-A119 PolarHBondContact O-N 3.12Å; R117-A119 VanDerWaalsContact C-N 3.27Å; R117-A119 PolarHBondContact O-N 2.76Å; A119-A123 WeakPolarHBondContact O-CB 3.13Å; A119-A123 PolarHBondContact O-N 2.94Å
120F94.4Very high87.4Confident4 Ų455.7 Ų55.72%0.01826%0.258CS..Hα-helixtrans-65.4-45.8173.4-85.6-75.8000112.1V101 V116 R117 F122 A123 L124 I136 D139 Y140 F143V101-F120 HydrophobicContact CB-CE1 4.43Å; V101-F120 HydrophobicContact CG1-CD1 3.37Å; V101-F120 HydrophobicContact CG1-CD2 4.26Å; V101-F120 HydrophobicContact CG1-CE1 3Å; V101-F120 HydrophobicContact CG1-CE2 3.92Å; V101-F120 HydrophobicContact CG1-CG 4.01Å; V101-F120 HydrophobicContact CG1-CZ 3.29Å; V101-F120 HydrophobicContact CG2-CD1 4.48Å; V116-F120 HydrophobicContact CG1-CD2 3.87Å; V116-F120 HydrophobicContact CG1-CE2 3.69Å; V116-F120 VanDerWaalsContact O-CD2 3.31Å; V116-F120 WeakPolarHBondContact O-CD2 3.48Å; V116-F120 PolarHBondContact O-N 2.98Å; R117-F120 PolarHBondContact O-N 2.61Å; F120-F122 VanDerWaalsContact C-N 3.32Å; F120-F122 PolarHBondContact O-N 3.2Å; F120-A123 PolarHBondContact O-N 3.33Å; F120-L124 WeakPolarHBondContact O-CG 3.18Å; F120-L124 PolarHBondContact O-N 3.45Å; F120-I136 HydrophobicContact CD1-CG2 4.35Å; F120-D139 HydrophobicContact CE1-CB 4.17Å; F120-D139 HydrophobicContact CZ-CB 4.43Å; F120-Y140 HydrophobicContact CB-CD1 4.01Å; F120-Y140 HydrophobicContact CB-CD2 3.45Å; F120-Y140 VanDerWaalsContact CB-CD2 3.45Å; F120-Y140 HydrophobicContact CB-CE1 4.14Å; F120-Y140 HydrophobicContact CB-CE2 3.65Å; F120-Y140 HydrophobicContact CB-CG 3.67Å; F120-Y140 VanDerWaalsContact CD1-CB 3.41Å; F120-Y140 AromaticContact CD1-CD2 3.89Å; F120-Y140 HydrophobicContact CD1-CD2 3.89Å; F120-Y140 AromaticContact CD1-CG 3.74Å; F120-Y140 HydrophobicContact CD1-CG 3.74Å; F120-Y140 AromaticContact CD2-CD2 3.58Å; F120-Y140 HydrophobicContact CD2-CD2 3.58Å; F120-Y140 HydrophobicContact CD2-CE2 4.13Å; F120-Y140 HydrophobicContact CD2-CG 4.29Å; F120-Y140 VanDerWaalsContact CE1-CA 3.43Å; F120-Y140 HydrophobicContact CE1-CD2 4.44Å; F120-Y140 HydrophobicContact CE1-CG 4.35Å; F120-Y140 HydrophobicContact CE2-CD2 4.23Å; F120-Y140 HydrophobicContact CG-CD1 4.48Å; F120-Y140 AromaticContact CG-CD2 3.39Å; F120-Y140 HydrophobicContact CG-CD2 3.39Å; F120-Y140 HydrophobicContact CG-CE2 4.04Å; F120-Y140 AromaticContact CG-CG 3.68Å; F120-Y140 HydrophobicContact CG-CG 3.68Å; F120-F143 HydrophobicContact CD2-CD1 4.19Å; F120-F143 HydrophobicContact CE2-CB 3.96Å; F120-F143 AromaticContact CE2-CD1 4Å; F120-F143 HydrophobicContact CE2-CD1 4Å; F120-F143 AromaticContact CE2-CG 3.92Å; F120-F143 HydrophobicContact CE2-CG 3.92Å; F120-F143 HydrophobicContact CZ-CB 4.23Å
121E92Very high88.7Confident36 Ų3651.3 Ų51.317%0.16823%0.229CC..Hα-helixtrans-61-43.1176.2-68.1-71.4156.800111R117 A123 L124 D125 Y140 R168R117-E121 PolarHBondContact O-N 2.93Å; E121-A123 PolarHBondContact O-N 3.03Å; E121-L124 PolarHBondContact O-N 3.41Å; E121-D125 VanDerWaalsContact O-CG 3.31Å; E121-D125 PolarHBondContact O-N 3.48Å; E121-Y140 HydrophobicContact CG-CE1 4.44Å; E121-Y140 VanDerWaalsContact OE1-CE1 3.27Å; E121-Y140 WeakPolarHBondContact OE1-CE1 3.17Å; E121-Y140 PolarHBondContact OE1-OH 3.49Å; E121-R168 IonicContact OE2-NH1 2.74Å
122F90.6Very high89.8Confident74 Ų7446.4 Ų46.433%0.32521%0.214SC..Hα-helixtrans-60.3-43.6175.4179.5-116.3000112.6L88 L89 W97 Y100 D118 F120 D125 K126L88-F122 HydrophobicContact CD2-CE1 4.35Å; L89-F122 HydrophobicContact CD2-CZ 3.9Å; W97-F122 AromaticContact CH2-CD1 3.98Å; W97-F122 HydrophobicContact CH2-CD1 3.98Å; W97-F122 AromaticContact CH2-CE1 3.5Å; W97-F122 HydrophobicContact CH2-CE1 3.5Å; W97-F122 HydrophobicContact CH2-CZ 4.02Å; W97-F122 AromaticContact CZ3-CD1 3.7Å; W97-F122 HydrophobicContact CZ3-CD1 3.7Å; W97-F122 AromaticContact CZ3-CE1 3.68Å; W97-F122 HydrophobicContact CZ3-CE1 3.68Å; Y100-F122 HydrophobicContact CE1-CD1 4.44Å; D118-F122 VanDerWaalsContact O-CB 3.24Å; D118-F122 WeakPolarHBondContact O-CB 2.97Å; D118-F122 PolarHBondContact O-N 3.35Å; F120-F122 VanDerWaalsContact C-N 3.32Å; F120-F122 PolarHBondContact O-N 3.2Å; F122-D125 PolarHBondContact O-N 2.92Å; F122-K126 HydrophobicContact CE2-CG 4.36Å; F122-K126 PolarHBondContact O-N 3.26Å
123A92.4Very high90.4Very high0 Ų043.1 Ų43.10%020%0.196CC..Hα-helixtrans-62.5-42.9175.100000112W97 V101 A119 F120 E121 D125 K126 V127 I136W97-A123 HydrophobicContact CE3-CB 3.68Å; W97-A123 HydrophobicContact CZ3-CB 4.09Å; V101-A123 HydrophobicContact CG2-CB 3.6Å; A119-A123 WeakPolarHBondContact O-CB 3.13Å; A119-A123 PolarHBondContact O-N 2.94Å; F120-A123 PolarHBondContact O-N 3.33Å; E121-A123 PolarHBondContact O-N 3.03Å; A123-D125 VanDerWaalsContact C-N 3.3Å; A123-D125 PolarHBondContact O-N 3.45Å; A123-K126 PolarHBondContact O-N 3.25Å; A123-V127 WeakPolarHBondContact O-CG2 3.47Å; A123-V127 PolarHBondContact O-N 2.95Å; A123-I136 HydrophobicContact CB-CG2 4.49Å
124L91.8Very high90.8Very high4 Ų443.5 Ų43.52%0.02120%0.195CC..Hα-helixtrans-67.6-29.4177.7-69.3179.9000112.9F120 E121 K126 G128 I136 Y137 Y140 R168F120-L124 WeakPolarHBondContact O-CG 3.18Å; F120-L124 PolarHBondContact O-N 3.45Å; E121-L124 PolarHBondContact O-N 3.41Å; L124-K126 VanDerWaalsContact C-N 3.3Å; L124-G128 WeakPolarHBondContact O-CA 3.44Å; L124-G128 PolarHBondContact O-N 2.52Å; L124-I136 HydrophobicContact CD2-CB 4.36Å; L124-I136 HydrophobicContact CD2-CG2 3.74Å; L124-I136 HydrophobicContact CG-CG2 4.28Å; L124-Y137 HydrophobicContact CD1-CD1 3.81Å; L124-Y137 HydrophobicContact CD1-CE1 3.61Å; L124-Y137 HydrophobicContact CD2-CD1 3.73Å; L124-Y137 HydrophobicContact CD2-CD2 4.04Å; L124-Y137 HydrophobicContact CD2-CE1 3.51Å; L124-Y137 HydrophobicContact CD2-CE2 3.82Å; L124-Y137 HydrophobicContact CD2-CG 4Å; L124-Y137 HydrophobicContact CG-CD1 4.44Å; L124-Y137 HydrophobicContact CG-CE1 4.14Å; L124-Y140 HydrophobicContact CD1-CD1 3.78Å; L124-Y140 HydrophobicContact CD1-CE1 4.16Å; L124-R168 PolarHBondContact O-NH2 2.93Å
125D88.5Confident91.2Very high85 Ų8536.2 Ų36.246%0.45517%0.174SC..Hα-helixtrans-70.7-25.7174.5-72.9-7.5000112.8E121 F122 A123 R168 F287E121-D125 VanDerWaalsContact O-CG 3.31Å; E121-D125 PolarHBondContact O-N 3.48Å; F122-D125 PolarHBondContact O-N 2.92Å; A123-D125 VanDerWaalsContact C-N 3.3Å; A123-D125 PolarHBondContact O-N 3.45Å; D125-R168 IonicContact OD1-CZ 3.4Å; D125-R168 VanDerWaalsContact OD1-CZ 3.24Å; D125-R168 IonicContact OD1-NH1 3.61Å; D125-R168 PolarHBondContact OD1-NH1 2.88Å; D125-R168 IonicContact OD1-NH2 3.33Å; D125-R168 PolarHBondContact OD1-NH2 3.28Å; D125-F287 WeakPolarHBondContact O-CZ 3.31Å
126K87.4Confident91.5Very high77 Ų7731.6 Ų31.634%0.33515%0.153SC..Hα-helixtrans-98.9-45-179.3-65.8-62.9-172.61760114.3L92 W97 F122 A123 L124 Y291L92-K126 HydrophobicContact CD2-CB 4.45Å; W97-K126 HydrophobicContact CH2-CB 3.68Å; W97-K126 HydrophobicContact CH2-CG 3.65Å; W97-K126 HydrophobicContact CZ2-CB 3.67Å; W97-K126 HydrophobicContact CZ2-CG 3.96Å; W97-K126 HydrophobicContact CZ3-CB 4.29Å; W97-K126 HydrophobicContact CZ3-CG 4.45Å; F122-K126 HydrophobicContact CE2-CG 4.36Å; F122-K126 PolarHBondContact O-N 3.26Å; A123-K126 PolarHBondContact O-N 3.25Å; L124-K126 VanDerWaalsContact C-N 3.3Å; K126-Y291 VanDerWaalsContact O-CE2 3.3Å; K126-Y291 WeakPolarHBondContact O-CE2 3.37Å
127V90.6Very high91.8Very high0 Ų031.7 Ų31.70%015%0.154CC..Hα-helixtrans-122.111-175.4-62.70000113.4L92 I94 W97 A123 L129 D130 I136 Y291L92-V127 HydrophobicContact CB-CG1 4.37Å; I94-V127 HydrophobicContact CD1-CB 4.49Å; I94-V127 HydrophobicContact CD1-CG2 4.28Å; W97-V127 HydrophobicContact CB-CG1 4.44Å; W97-V127 HydrophobicContact CB-CG2 3.71Å; W97-V127 VanDerWaalsContact CD1-CG1 3.42Å; W97-V127 HydrophobicContact CD2-CG1 4.05Å; W97-V127 HydrophobicContact CD2-CG2 4.01Å; W97-V127 HydrophobicContact CE3-CG2 4.44Å; W97-V127 HydrophobicContact CG-CB 4.35Å; W97-V127 HydrophobicContact CG-CG1 3.71Å; W97-V127 HydrophobicContact CG-CG2 3.69Å; A123-V127 WeakPolarHBondContact O-CG2 3.47Å; A123-V127 PolarHBondContact O-N 2.95Å; V127-L129 PolarHBondContact O-N 2.85Å; V127-D130 VanDerWaalsContact O-CB 3.27Å; V127-D130 WeakPolarHBondContact O-CB 3.38Å; V127-D130 PolarHBondContact O-N 2.85Å; V127-D130 VanDerWaalsContact O-N 3.1Å; V127-I136 HydrophobicContact CG2-CD1 3.7Å; V127-Y291 HydrophobicContact CG1-CE2 4.26Å
128G89Confident92Very high2 Ų229.4 Ų29.42%0.02115%0.147CC..THydrogen-bonded Turntrans-70.1-13.8-178.600000115.1L124 Y137L124-G128 WeakPolarHBondContact O-CA 3.44Å; L124-G128 PolarHBondContact O-N 2.52Å; G128-Y137 WeakPolarHBondContact O-CE2 3.46Å; G128-Y137 PolarHBondContact O-OH 3.33Å
129L87.7Confident92.2Very high42 Ų4228.9 Ų28.922%0.2214%0.144CC..THydrogen-bonded Turntrans-90.2-1.5171.9-63.2-168.7000113.5V127 T172 F287 A288V127-L129 PolarHBondContact O-N 2.85Å; L129-T172 HydrophobicContact CD2-CG2 3.6Å; L129-F287 HydrophobicContact CD1-CD1 3.42Å; L129-F287 VanDerWaalsContact CD1-CD1 3.42Å; L129-F287 HydrophobicContact CD1-CE1 3.77Å; L129-F287 HydrophobicContact CG-CD1 4.22Å; L129-F287 HydrophobicContact CG-CE1 4.08Å; L129-A288 HydrophobicContact CD1-CB 4.22Å
130D92.1Very high92.3Very high3 Ų328.6 Ų28.62%0.01614%0.142CC..SBendtrans-63140.6-179.8-166.2-100.6000111.7I94 V127 Q132 A133 R226 Y291I94-D130 HydrophobicContact CD1-CB 4.23Å; V127-D130 VanDerWaalsContact O-CB 3.27Å; V127-D130 WeakPolarHBondContact O-CB 3.38Å; V127-D130 PolarHBondContact O-N 2.85Å; V127-D130 VanDerWaalsContact O-N 3.1Å; D130-Q132 PolarHBondContact O-N 2.72Å; D130-Q132 WeakPolarHBondContact OD1-CA 3.14Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.41Å; D130-Q132 PolarHBondContact OD1-N 3.23Å; D130-A133 HydrophobicContact CB-CB 4.1Å; D130-A133 WeakPolarHBondContact O-CB 3.43Å; D130-A133 PolarHBondContact O-N 2.86Å; D130-R226 VanDerWaalsContact CG-NH2 3.31Å; D130-R226 IonicContact OD1-CZ 2.92Å; D130-R226 IonicContact OD1-NH1 2.8Å; D130-R226 PolarHBondContact OD1-NH1 2.92Å; D130-R226 IonicContact OD1-NH2 3.12Å; D130-R226 PolarHBondContact OD1-NH2 3.43Å; D130-R226 IonicContact OD2-CZ 3.74Å; D130-R226 IonicContact OD2-NH1 3.12Å; D130-R226 PolarHBondContact OD2-NH1 3.19Å; D130-R226 IonicContact OD2-NH2 2.86Å; D130-R226 PolarHBondContact OD2-NH2 2.99Å; D130-Y291 HydrophobicContact CB-CE1 4.06Å; D130-Y291 WeakPolarHBondContact CB-OH 3.45Å; D130-Y291 PolarHBondContact OD2-OH 3.3Å; D130-Y291 VanDerWaalsContact OD2-OH 3.11Å
131H91.9Very high92.3Very high26 Ų2628.5 Ų28.512%0.1214%0.141CC..THydrogen-bonded Turntrans-53.6-28.6173.6166.580.5000112.6A175 M217 D218 M221H131-A175 WeakPolarHBondContact O-CB 3.25Å; H131-A175 PolarHBondContact O-N 3.04Å; H131-M217 HydrophobicContact CB-CE 3.85Å; H131-M217 HydrophobicContact CB-SD 4.14Å; H131-D218 IonicContact CE1-OD1 3.33Å; H131-D218 PolarHBondContact CE1-OD1 3.2Å; H131-D218 IonicContact ND1-OD1 3.59Å; H131-D218 PolarHBondContact ND1-OD1 3.06Å; H131-D218 VanDerWaalsContact ND1-OD1 3.12Å; H131-M221 HydrophobicContact CB-CE 4.28Å; H131-M221 HydrophobicContact CB-CG 4.33Å
132Q93Very high92.4Very high79 Ų7930.1 Ų30.137%0.36915%0.152SC..THydrogen-bonded Turntrans-105.318.9177.2-61.5-176.22.700114.2I94 D130 Y134I94-Q132 HydrophobicContact CG1-CB 4.3Å; I94-Q132 HydrophobicContact CG2-CB 4.41Å; D130-Q132 PolarHBondContact O-N 2.72Å; D130-Q132 WeakPolarHBondContact OD1-CA 3.14Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.41Å; D130-Q132 PolarHBondContact OD1-N 3.23Å; Q132-Y134 PolarHBondContact O-N 3.28Å
133A93.9Very high92.5Very high0 Ų027.6 Ų27.60%014%0.14CC..THydrogen-bonded Turntrans-64.7-17.1179.300000114.3D130 S135 I136 Y137D130-A133 HydrophobicContact CB-CB 4.1Å; D130-A133 WeakPolarHBondContact O-CB 3.43Å; D130-A133 PolarHBondContact O-N 2.86Å; A133-S135 PolarHBondContact O-N 2.95Å; A133-I136 PolarHBondContact O-N 3.46Å; A133-Y137 HydrophobicContact CB-CD2 4.22Å; A133-Y137 HydrophobicContact CB-CE2 4.03Å; A133-Y137 WeakPolarHBondContact O-CD2 3.39Å; A133-Y137 PolarHBondContact O-N 2.97Å
134Y94.6Very high92.5Very high30 Ų3027.6 Ų27.612%0.11814%0.14CC..Hα-helixtrans-43.3-44.5-179168.9-93000113.7Q132 I136 Y137 N138 K176 L179 L180Q132-Y134 PolarHBondContact O-N 3.28Å; Y134-I136 PolarHBondContact O-N 3.39Å; Y134-Y137 PolarHBondContact O-N 2.94Å; Y134-N138 HydrophobicContact CE1-CB 4.23Å; Y134-N138 VanDerWaalsContact O-CB 3.32Å; Y134-N138 WeakPolarHBondContact O-CB 3.39Å; Y134-N138 PolarHBondContact O-N 2.83Å; Y134-N138 PolarHBondContact OH-OD1 3.47Å; Y134-N138 VanDerWaalsContact OH-OD1 3.14Å; Y134-K176 HydrophobicContact CD1-CB 4.38Å; Y134-K176 HydrophobicContact CD1-CD 4.09Å; Y134-K176 HydrophobicContact CD2-CB 4.06Å; Y134-K176 HydrophobicContact CE1-CD 4.36Å; Y134-K176 HydrophobicContact CE2-CB 4.44Å; Y134-K176 HydrophobicContact CG-CB 4.05Å; Y134-L179 HydrophobicContact CE1-CD2 4.3Å; Y134-L179 HydrophobicContact CE2-CB 4.13Å; Y134-L179 HydrophobicContact CE2-CD2 4.26Å; Y134-L179 HydrophobicContact CE2-CG 4.19Å; Y134-L179 WeakPolarHBondContact OH-CD2 3.43Å; Y134-L179 WeakPolarHBondContact OH-CG 3.33Å; Y134-L180 HydrophobicContact CD2-CB 4.36Å; Y134-L180 HydrophobicContact CE2-CB 4.21Å
135S94.2Very high92.5Very high35 Ų3530.4 Ų30.425%0.24516%0.158CC..Hα-helixtrans-67.9-34.5-177.2150.70000112.8K98 A133 N138 D139K98-S135 WeakPolarHBondContact CE-OG 3.5Å; A133-S135 PolarHBondContact O-N 2.95Å; S135-N138 PolarHBondContact O-N 2.73Å; S135-D139 WeakPolarHBondContact O-CB 3.34Å; S135-D139 PolarHBondContact O-N 3.18Å; S135-D139 PolarHBondContact OG-OD2 3.07Å
136I95.4Very high92.5Very high2 Ų229 Ų291%0.0116%0.158CC..Hα-helixtrans-67.6-43.9176.7-61.7-179.7000110.3I94 W97 K98 F120 A123 L124 V127 A133 Y134 N138 D139 Y140I94-I136 HydrophobicContact CD1-CD1 3.46Å; I94-I136 VanDerWaalsContact CD1-CD1 3.46Å; I94-I136 HydrophobicContact CD1-CG1 4.15Å; W97-I136 HydrophobicContact CB-CD1 4.28Å; K98-I136 HydrophobicContact CG-CD1 4.26Å; K98-I136 HydrophobicContact CG-CG1 3.83Å; F120-I136 HydrophobicContact CD1-CG2 4.35Å; A123-I136 HydrophobicContact CB-CG2 4.49Å; L124-I136 HydrophobicContact CD2-CB 4.36Å; L124-I136 HydrophobicContact CD2-CG2 3.74Å; L124-I136 HydrophobicContact CG-CG2 4.28Å; V127-I136 HydrophobicContact CG2-CD1 3.7Å; A133-I136 PolarHBondContact O-N 3.46Å; Y134-I136 PolarHBondContact O-N 3.39Å; I136-N138 VanDerWaalsContact C-N 3.32Å; I136-N138 PolarHBondContact O-N 2.94Å; I136-D139 PolarHBondContact O-N 3.42Å; I136-Y140 WeakPolarHBondContact O-CB 3.13Å; I136-Y140 PolarHBondContact O-N 3.25Å
137Y95.4Very high92.6Very high2 Ų225.5 Ų25.51%0.00814%0.143CC..Hα-helixtrans-60.6-42.9174.7-75.8-71.9000112L124 G128 A133 Y134 Y140 V141 V165 R168 A169 M174L124-Y137 HydrophobicContact CD1-CD1 3.81Å; L124-Y137 HydrophobicContact CD1-CE1 3.61Å; L124-Y137 HydrophobicContact CD2-CD1 3.73Å; L124-Y137 HydrophobicContact CD2-CD2 4.04Å; L124-Y137 HydrophobicContact CD2-CE1 3.51Å; L124-Y137 HydrophobicContact CD2-CE2 3.82Å; L124-Y137 HydrophobicContact CD2-CG 4Å; L124-Y137 HydrophobicContact CG-CD1 4.44Å; L124-Y137 HydrophobicContact CG-CE1 4.14Å; G128-Y137 WeakPolarHBondContact O-CE2 3.46Å; G128-Y137 PolarHBondContact O-OH 3.33Å; A133-Y137 HydrophobicContact CB-CD2 4.22Å; A133-Y137 HydrophobicContact CB-CE2 4.03Å; A133-Y137 WeakPolarHBondContact O-CD2 3.39Å; A133-Y137 PolarHBondContact O-N 2.97Å; Y134-Y137 PolarHBondContact O-N 2.94Å; Y137-Y140 PolarHBondContact O-N 3.25Å; Y137-V141 WeakPolarHBondContact O-CG2 3.32Å; Y137-V141 PolarHBondContact O-N 3.46Å; Y137-V165 HydrophobicContact CD1-CG1 3.91Å; Y137-R168 HydrophobicContact CE1-CB 4.48Å; Y137-R168 HydrophobicContact CE1-CG 4.23Å; Y137-A169 HydrophobicContact CD1-CB 3.52Å; Y137-A169 HydrophobicContact CD2-CB 3.98Å; Y137-A169 HydrophobicContact CE1-CB 3.63Å; Y137-A169 HydrophobicContact CE2-CB 4.1Å; Y137-A169 HydrophobicContact CG-CB 3.69Å; Y137-M174 HydrophobicContact CD2-CE 3.96Å; Y137-M174 HydrophobicContact CD2-SD 4.15Å; Y137-M174 HydrophobicContact CE2-CE 3.67Å; Y137-M174 HydrophobicContact CE2-SD 4.38Å
138N94.5Very high92.4Very high27 Ų2727.6 Ų27.614%0.14415%0.154CC..Hα-helixtrans-61.3-50.7178.7-170.487.6000111.6Y134 S135 I136 Y140 V141 D142 R183Y134-N138 HydrophobicContact CE1-CB 4.23Å; Y134-N138 VanDerWaalsContact O-CB 3.32Å; Y134-N138 WeakPolarHBondContact O-CB 3.39Å; Y134-N138 PolarHBondContact O-N 2.83Å; Y134-N138 PolarHBondContact OH-OD1 3.47Å; Y134-N138 VanDerWaalsContact OH-OD1 3.14Å; S135-N138 PolarHBondContact O-N 2.73Å; I136-N138 VanDerWaalsContact C-N 3.32Å; I136-N138 PolarHBondContact O-N 2.94Å; N138-Y140 VanDerWaalsContact C-N 3.3Å; N138-Y140 PolarHBondContact O-N 3.06Å; N138-V141 PolarHBondContact O-N 3.49Å; N138-D142 PolarHBondContact ND2-OD2 2.87Å; N138-D142 VanDerWaalsContact O-CG 3.28Å; N138-D142 PolarHBondContact O-N 3.29Å; N138-R183 VanDerWaalsContact CG-NH1 3.29Å; N138-R183 PolarHBondContact ND2-NH1 3.15Å; N138-R183 PolarHBondContact OD1-NH1 3.04Å
139D94.4Very high92.3Very high72 Ų7232.1 Ų32.139%0.38519%0.186SC..Hα-helixtrans-65.4-34.6-178.9-61.2-14.8000111.3F120 S135 I136 D142 F143F120-D139 HydrophobicContact CE1-CB 4.17Å; F120-D139 HydrophobicContact CZ-CB 4.43Å; S135-D139 WeakPolarHBondContact O-CB 3.34Å; S135-D139 PolarHBondContact O-N 3.18Å; S135-D139 PolarHBondContact OG-OD2 3.07Å; I136-D139 PolarHBondContact O-N 3.42Å; D139-D142 PolarHBondContact O-N 3.36Å; D139-F143 WeakPolarHBondContact O-CB 3.48Å; D139-F143 PolarHBondContact O-N 3.08Å
140Y95.2Very high92.3Very high0 Ų033.5 Ų33.50%020%0.203CC..Hα-helixtrans-66.3-44.2175.5-172.4-158.9000112R117 F120 E121 L124 I136 Y137 N138 F143 L144 V165R117-Y140 HydrophobicContact CG-CE2 4.04Å; R117-Y140 WeakPolarHBondContact CG-OH 3.36Å; F120-Y140 HydrophobicContact CB-CD1 4.01Å; F120-Y140 HydrophobicContact CB-CD2 3.45Å; F120-Y140 VanDerWaalsContact CB-CD2 3.45Å; F120-Y140 HydrophobicContact CB-CE1 4.14Å; F120-Y140 HydrophobicContact CB-CE2 3.65Å; F120-Y140 HydrophobicContact CB-CG 3.67Å; F120-Y140 VanDerWaalsContact CD1-CB 3.41Å; F120-Y140 AromaticContact CD1-CD2 3.89Å; F120-Y140 HydrophobicContact CD1-CD2 3.89Å; F120-Y140 AromaticContact CD1-CG 3.74Å; F120-Y140 HydrophobicContact CD1-CG 3.74Å; F120-Y140 AromaticContact CD2-CD2 3.58Å; F120-Y140 HydrophobicContact CD2-CD2 3.58Å; F120-Y140 HydrophobicContact CD2-CE2 4.13Å; F120-Y140 HydrophobicContact CD2-CG 4.29Å; F120-Y140 VanDerWaalsContact CE1-CA 3.43Å; F120-Y140 HydrophobicContact CE1-CD2 4.44Å; F120-Y140 HydrophobicContact CE1-CG 4.35Å; F120-Y140 HydrophobicContact CE2-CD2 4.23Å; F120-Y140 HydrophobicContact CG-CD1 4.48Å; F120-Y140 AromaticContact CG-CD2 3.39Å; F120-Y140 HydrophobicContact CG-CD2 3.39Å; F120-Y140 HydrophobicContact CG-CE2 4.04Å; F120-Y140 AromaticContact CG-CG 3.68Å; F120-Y140 HydrophobicContact CG-CG 3.68Å; E121-Y140 HydrophobicContact CG-CE1 4.44Å; E121-Y140 VanDerWaalsContact OE1-CE1 3.27Å; E121-Y140 WeakPolarHBondContact OE1-CE1 3.17Å; E121-Y140 PolarHBondContact OE1-OH 3.49Å; L124-Y140 HydrophobicContact CD1-CD1 3.78Å; L124-Y140 HydrophobicContact CD1-CE1 4.16Å; I136-Y140 WeakPolarHBondContact O-CB 3.13Å; I136-Y140 PolarHBondContact O-N 3.25Å; Y137-Y140 PolarHBondContact O-N 3.25Å; N138-Y140 VanDerWaalsContact C-N 3.3Å; N138-Y140 PolarHBondContact O-N 3.06Å; Y140-F143 HydrophobicContact CD2-CD1 4.21Å; Y140-F143 HydrophobicContact CE2-CD1 4.38Å; Y140-F143 WeakPolarHBondContact O-CB 3.23Å; Y140-F143 PolarHBondContact O-N 3.33Å; Y140-L144 HydrophobicContact CD2-CD1 4Å; Y140-L144 HydrophobicContact CD2-CG 3.94Å; Y140-L144 HydrophobicContact CE1-CD1 4.36Å; Y140-L144 HydrophobicContact CE2-CD1 3.72Å; Y140-L144 HydrophobicContact CE2-CD2 3.87Å; Y140-L144 HydrophobicContact CE2-CG 3.72Å; Y140-L144 HydrophobicContact CG-CD1 4.4Å; Y140-L144 WeakPolarHBondContact O-CG 3.48Å; Y140-L144 PolarHBondContact O-N 3.31Å; Y140-V165 HydrophobicContact CD1-CB 4.33Å; Y140-V165 HydrophobicContact CD1-CG1 3.7Å; Y140-V165 HydrophobicContact CD1-CG2 3.59Å; Y140-V165 HydrophobicContact CE1-CB 4.43Å; Y140-V165 HydrophobicContact CE1-CG1 4.25Å; Y140-V165 HydrophobicContact CE1-CG2 3.26Å
141V94.4Very high91.8Very high2 Ų236.3 Ų36.31%0.01223%0.233CC..Hα-helixtrans-65.6-41.9176.7175.70000110.8Y137 N138 F143 L144 V145 I162 V165 Y166Y137-V141 WeakPolarHBondContact O-CG2 3.32Å; Y137-V141 PolarHBondContact O-N 3.46Å; N138-V141 PolarHBondContact O-N 3.49Å; V141-F143 VanDerWaalsContact C-N 3.3Å; V141-F143 PolarHBondContact O-N 3.24Å; V141-L144 PolarHBondContact O-N 3.03Å; V141-V145 HydrophobicContact CG1-CG2 4.21Å; V141-V145 VanDerWaalsContact O-CG2 3.31Å; V141-V145 WeakPolarHBondContact O-CG2 3.06Å; V141-V145 PolarHBondContact O-N 3.21Å; V141-I162 HydrophobicContact CG1-CG2 4.01Å; V141-V165 HydrophobicContact CG2-CB 4.4Å; V141-V165 HydrophobicContact CG2-CG1 3.84Å; V141-Y166 HydrophobicContact CG1-CE2 3.94Å; V141-Y166 WeakPolarHBondContact CG1-OH 3.4Å; V141-Y166 HydrophobicContact CG2-CE1 4.13Å; V141-Y166 HydrophobicContact CG2-CE2 4.26Å
142D93.6Very high91.3Very high71 Ų7139.2 Ų39.238%0.3825%0.247SC..Hα-helixtrans-61.8-39.3177.6-68.4-25.2000111.1N138 D139 A146 R183N138-D142 PolarHBondContact ND2-OD2 2.87Å; N138-D142 VanDerWaalsContact O-CG 3.28Å; N138-D142 PolarHBondContact O-N 3.29Å; D139-D142 PolarHBondContact O-N 3.36Å; D142-A146 WeakPolarHBondContact O-CB 3.37Å; D142-A146 PolarHBondContact O-N 2.97Å; D142-R183 IonicContact OD1-CZ 2.91Å; D142-R183 IonicContact OD1-NH1 2.91Å; D142-R183 PolarHBondContact OD1-NH1 2.98Å; D142-R183 VanDerWaalsContact OD1-NH1 3.15Å; D142-R183 IonicContact OD1-NH2 3.62Å; D142-R183 PolarHBondContact OD1-NH2 3.44Å; D142-R183 IonicContact OD2-NH1 3.59Å; D142-R183 PolarHBondContact OD2-NH1 3.46Å
143F92.8Very high90.8Very high20 Ų2036.4 Ų36.49%0.08823%0.234CC..Hα-helixtrans-61.6-47.8171.3168.2-102.3000112.9V113 V116 F120 D139 Y140 V141 V145 A146 A147V113-F143 HydrophobicContact CG1-CE1 4.29Å; V113-F143 HydrophobicContact CG1-CZ 3.8Å; V116-F143 HydrophobicContact CB-CE1 4.12Å; V116-F143 HydrophobicContact CB-CE2 3.95Å; V116-F143 HydrophobicContact CB-CZ 3.55Å; V116-F143 HydrophobicContact CG1-CD1 4.21Å; V116-F143 HydrophobicContact CG1-CD2 3.94Å; V116-F143 HydrophobicContact CG1-CE1 3.81Å; V116-F143 HydrophobicContact CG1-CE2 3.53Å; V116-F143 HydrophobicContact CG1-CG 4.27Å; V116-F143 HydrophobicContact CG1-CZ 3.45Å; V116-F143 VanDerWaalsContact CG1-CZ 3.45Å; V116-F143 HydrophobicContact CG2-CE2 4.44Å; V116-F143 HydrophobicContact CG2-CZ 4.38Å; F120-F143 HydrophobicContact CD2-CD1 4.19Å; F120-F143 HydrophobicContact CE2-CB 3.96Å; F120-F143 AromaticContact CE2-CD1 4Å; F120-F143 HydrophobicContact CE2-CD1 4Å; F120-F143 AromaticContact CE2-CG 3.92Å; F120-F143 HydrophobicContact CE2-CG 3.92Å; F120-F143 HydrophobicContact CZ-CB 4.23Å; D139-F143 WeakPolarHBondContact O-CB 3.48Å; D139-F143 PolarHBondContact O-N 3.08Å; Y140-F143 HydrophobicContact CD2-CD1 4.21Å; Y140-F143 HydrophobicContact CE2-CD1 4.38Å; Y140-F143 WeakPolarHBondContact O-CB 3.23Å; Y140-F143 PolarHBondContact O-N 3.33Å; V141-F143 VanDerWaalsContact C-N 3.3Å; V141-F143 PolarHBondContact O-N 3.24Å; F143-V145 VanDerWaalsContact C-N 3.32Å; F143-V145 PolarHBondContact O-N 3.43Å; F143-A146 PolarHBondContact O-N 3.24Å; F143-A147 WeakPolarHBondContact O-CB 3.39Å; F143-A147 PolarHBondContact O-N 2.87Å
144L91.8Very high90.5Very high0 Ų044.3 Ų44.30%027%0.268CS..Hα-helixtrans-64.1-37.1-179.9-70.4170.8000112.3Y140 V141 N148 I153 I161 I162 V165Y140-L144 HydrophobicContact CD2-CD1 4Å; Y140-L144 HydrophobicContact CD2-CG 3.94Å; Y140-L144 HydrophobicContact CE1-CD1 4.36Å; Y140-L144 HydrophobicContact CE2-CD1 3.72Å; Y140-L144 HydrophobicContact CE2-CD2 3.87Å; Y140-L144 HydrophobicContact CE2-CG 3.72Å; Y140-L144 HydrophobicContact CG-CD1 4.4Å; Y140-L144 WeakPolarHBondContact O-CG 3.48Å; Y140-L144 PolarHBondContact O-N 3.31Å; V141-L144 PolarHBondContact O-N 3.03Å; L144-N148 WeakPolarHBondContact O-CB 3.47Å; L144-N148 PolarHBondContact O-N 3.21Å; L144-I153 HydrophobicContact CD2-CD1 4.19Å; L144-I161 HydrophobicContact CD1-CG2 3.67Å; L144-I161 HydrophobicContact CD2-CG2 4.05Å; L144-I162 HydrophobicContact CB-CD1 4.03Å; L144-I162 HydrophobicContact CB-CG1 3.64Å; L144-I162 HydrophobicContact CD1-CG1 3.84Å; L144-I162 HydrophobicContact CG-CG1 4.39Å; L144-V165 HydrophobicContact CD1-CG2 4.14Å
145V91.4Very high90.1Very high64 Ų6447.8 Ų47.839%0.38829%0.288SS..Hα-helixtrans-66.4-40.2174.7172.30000110.9V141 F143 S149 I162V141-V145 HydrophobicContact CG1-CG2 4.21Å; V141-V145 VanDerWaalsContact O-CG2 3.31Å; V141-V145 WeakPolarHBondContact O-CG2 3.06Å; V141-V145 PolarHBondContact O-N 3.21Å; F143-V145 VanDerWaalsContact C-N 3.32Å; F143-V145 PolarHBondContact O-N 3.43Å; V145-S149 WeakPolarHBondContact O-CB 3.48Å; V145-S149 PolarHBondContact O-N 2.93Å; V145-S149 PolarHBondContact O-OG 3.5Å; V145-I162 HydrophobicContact CG2-CD1 3.93Å
146A90Very high89.8Confident56 Ų5652.4 Ų52.446%0.46331%0.31SS..Hα-helixtrans-65.7-46.6175.600000112.2D142 F143 N148 S149 A150D142-A146 WeakPolarHBondContact O-CB 3.37Å; D142-A146 PolarHBondContact O-N 2.97Å; F143-A146 PolarHBondContact O-N 3.24Å; A146-N148 VanDerWaalsContact C-N 3.32Å; A146-N148 PolarHBondContact O-N 3.09Å; A146-S149 WeakPolarHBondContact O-CB 3.43Å; A146-S149 PolarHBondContact O-N 2.87Å; A146-S149 VanDerWaalsContact O-N 3.07Å; A146-A150 PolarHBondContact O-N 2.97Å
147A88Confident89.5Confident3 Ų356.8 Ų56.83%0.02533%0.331CS..Hα-helixtrans-62.6-36.8177.300000112.5V113 F143 A150 G151 E152 I153V113-A147 HydrophobicContact CG1-CB 4.07Å; F143-A147 WeakPolarHBondContact O-CB 3.39Å; F143-A147 PolarHBondContact O-N 2.87Å; A147-A150 PolarHBondContact O-N 3.08Å; A147-G151 PolarHBondContact O-N 3.37Å; A147-E152 PolarHBondContact O-N 3.18Å; A147-E152 VanDerWaalsContact O-N 3.11Å; A147-I153 HydrophobicContact CB-CD1 3.93Å; A147-I153 HydrophobicContact CB-CG1 4.34Å
148N87.2Confident89.2Confident43 Ų4356.8 Ų56.823%0.2333%0.331CS..Hα-helixtrans-64.6-42171.5-177.566.7000111.8L144 A146 A150 G151 S158L144-N148 WeakPolarHBondContact O-CB 3.47Å; L144-N148 PolarHBondContact O-N 3.21Å; A146-N148 VanDerWaalsContact C-N 3.32Å; A146-N148 PolarHBondContact O-N 3.09Å; N148-A150 VanDerWaalsContact C-N 3.28Å; N148-A150 PolarHBondContact O-N 3.14Å; N148-G151 PolarHBondContact O-N 2.91Å; N148-G151 VanDerWaalsContact O-N 3.12Å; N148-S158 WeakPolarHBondContact OD1-CB 2.83Å; N148-S158 PolarHBondContact OD1-OG 2.93Å
149S87Confident89Confident98 Ų9856.9 Ų56.969%0.68533%0.331SS*.Hα-helixtrans-67.9-28.5178.5-54.80000112.6V145 A146 G151V145-S149 WeakPolarHBondContact O-CB 3.48Å; V145-S149 PolarHBondContact O-N 2.93Å; V145-S149 PolarHBondContact O-OG 3.5Å; A146-S149 WeakPolarHBondContact O-CB 3.43Å; A146-S149 PolarHBondContact O-N 2.87Å; A146-S149 VanDerWaalsContact O-N 3.07Å; S149-G151 VanDerWaalsContact C-N 3.29Å
150A86.9Confident89Confident70 Ų7056 Ų5658%0.57933%0.334SS*.THydrogen-bonded Turntrans-78.8-8173.200000113.8A146 A147 N148 E152A146-A150 PolarHBondContact O-N 2.97Å; A147-A150 PolarHBondContact O-N 3.08Å; N148-A150 VanDerWaalsContact C-N 3.28Å; N148-A150 PolarHBondContact O-N 3.14Å; A150-E152 HydrophobicContact CB-CG 4.14Å
151G83Confident88.8Confident62 Ų6257.2 Ų57.264%0.63934%0.34SS*.THydrogen-bonded Turntrans79.513.5179.400000115A147 N148 S149A147-G151 PolarHBondContact O-N 3.37Å; N148-G151 PolarHBondContact O-N 2.91Å; N148-G151 VanDerWaalsContact O-N 3.12Å; S149-G151 VanDerWaalsContact C-N 3.29Å
152E81.6Confident88.8Confident88 Ų8857.3 Ų57.341%0.41134%0.341SS..SBendtrans-81.3-23.2-176.7-60.3176.5137.900113.1V113 A147 A150V113-E152 HydrophobicContact CG2-CB 3.87Å; V113-E152 HydrophobicContact CG2-CG 4.1Å; V113-E152 WeakPolarHBondContact CG2-OE2 3.31Å; A147-E152 PolarHBondContact O-N 3.18Å; A147-E152 VanDerWaalsContact O-N 3.11Å; A150-E152 HydrophobicContact CB-CG 4.14Å
153I81.9Confident88.8Confident19 Ų1956.1 Ų56.110%0.09733%0.331CS..SBendtrans-122.6134.6177.7-53.1175.7000107.9V113 L144 A147 E157V113-I153 HydrophobicContact CG1-CD1 3.99Å; V113-I153 HydrophobicContact CG1-CG1 4.22Å; L144-I153 HydrophobicContact CD2-CD1 4.19Å; A147-I153 HydrophobicContact CB-CD1 3.93Å; A147-I153 HydrophobicContact CB-CG1 4.34Å; I153-E157 HydrophobicContact CG2-CB 4.07Å; I153-E157 HydrophobicContact CG2-CG 4.08Å
154K86.9Confident88.9Confident166 Ų16659.5 Ų59.572%0.72235%0.346SS*.  trans-61.6142.2175.8-66.1-179.4-179.4178.90110.2D156 E157 S158K154-D156 VanDerWaalsContact C-N 3.34Å; K154-D156 PolarHBondContact O-N 3.2Å; K154-E157 HydrophobicContact CB-CB 4.28Å; K154-E157 WeakPolarHBondContact O-CB 3.5Å; K154-E157 PolarHBondContact O-N 3.49Å; K154-S158 PolarHBondContact O-N 2.86Å
155L86.2Confident88.9Confident103 Ų10359.7 Ų59.754%0.53935%0.347SS..Hα-helixtrans-52.8-47.2-176-176.864.4000113.3E157 S158 I159L155-E157 VanDerWaalsContact C-N 3.32Å; L155-E157 PolarHBondContact O-N 3.31Å; L155-S158 PolarHBondContact O-N 3.19Å; L155-S158 PolarHBondContact O-OG 3.31Å; L155-I159 HydrophobicContact CD1-CD1 3.96Å; L155-I159 HydrophobicContact CD1-CG1 4.37Å; L155-I159 HydrophobicContact CG-CD1 3.82Å; L155-I159 WeakPolarHBondContact O-CB 3.32Å; L155-I159 WeakPolarHBondContact O-CD1 3.44Å; L155-I159 WeakPolarHBondContact O-CG1 3.21Å; L155-I159 PolarHBondContact O-N 3.48Å
156D87.4Confident89.1Confident133 Ų13357 Ų5771%0.71133%0.33SS*.Hα-helixtrans-65.8-36.2-179.4-64.3-30.5000112.5K154 A160K154-D156 VanDerWaalsContact C-N 3.34Å; K154-D156 PolarHBondContact O-N 3.2Å; D156-A160 WeakPolarHBondContact O-CB 3.24Å; D156-A160 PolarHBondContact O-N 3.42Å; D156-A160 VanDerWaalsContact O-N 3.13Å
157E89.3Confident89.2Confident94 Ų9456.5 Ų56.544%0.43932%0.319SS..Hα-helixtrans-70-44.3177.1-174.4179.6176.400110.9I153 K154 L155 I159 A160 I161I153-E157 HydrophobicContact CG2-CB 4.07Å; I153-E157 HydrophobicContact CG2-CG 4.08Å; K154-E157 HydrophobicContact CB-CB 4.28Å; K154-E157 WeakPolarHBondContact O-CB 3.5Å; K154-E157 PolarHBondContact O-N 3.49Å; L155-E157 VanDerWaalsContact C-N 3.32Å; L155-E157 PolarHBondContact O-N 3.31Å; E157-I159 VanDerWaalsContact C-N 3.35Å; E157-I159 PolarHBondContact O-N 3.42Å; E157-A160 PolarHBondContact O-N 3.18Å; E157-I161 HydrophobicContact CG-CD1 3.96Å; E157-I161 VanDerWaalsContact O-CG1 3.31Å; E157-I161 WeakPolarHBondContact O-CG1 3.16Å; E157-I161 PolarHBondContact O-N 2.94Å
158S89.4Confident89.3Confident1 Ų158.6 Ų58.61%0.00733%0.326CS..Hα-helixtrans-63.1-42.6178.476.80000111.3N148 K154 L155 A160 I161 I162N148-S158 WeakPolarHBondContact OD1-CB 2.83Å; N148-S158 PolarHBondContact OD1-OG 2.93Å; K154-S158 PolarHBondContact O-N 2.86Å; L155-S158 PolarHBondContact O-N 3.19Å; L155-S158 PolarHBondContact O-OG 3.31Å; S158-A160 VanDerWaalsContact C-N 3.33Å; S158-A160 PolarHBondContact O-N 3.22Å; S158-I161 PolarHBondContact O-N 2.97Å; S158-I162 WeakPolarHBondContact O-CB 3.43Å; S158-I162 VanDerWaalsContact O-CG1 3.23Å; S158-I162 WeakPolarHBondContact O-CG1 3.44Å; S158-I162 PolarHBondContact O-N 3.47Å
159I91.7Very high89.5Confident29 Ų2956.6 Ų56.615%0.14932%0.315CS..Hα-helixtrans-59.6-43.5175.5-73.6167.6000111L155 E157 R163 F187 V191L155-I159 HydrophobicContact CD1-CD1 3.96Å; L155-I159 HydrophobicContact CD1-CG1 4.37Å; L155-I159 HydrophobicContact CG-CD1 3.82Å; L155-I159 WeakPolarHBondContact O-CB 3.32Å; L155-I159 WeakPolarHBondContact O-CD1 3.44Å; L155-I159 WeakPolarHBondContact O-CG1 3.21Å; L155-I159 PolarHBondContact O-N 3.48Å; E157-I159 VanDerWaalsContact C-N 3.35Å; E157-I159 PolarHBondContact O-N 3.42Å; I159-R163 VanDerWaalsContact CG2-NH1 3.28Å; I159-R163 VanDerWaalsContact O-CB 3.25Å; I159-R163 WeakPolarHBondContact O-CB 3.45Å; I159-R163 PolarHBondContact O-N 2.87Å; I159-F187 HydrophobicContact CG2-CZ 4.34Å; I159-V191 HydrophobicContact CD1-CG1 4.06Å; I159-V191 HydrophobicContact CD1-CG2 4.32Å; I159-V191 HydrophobicContact CG1-CG1 4.49Å; I159-V191 HydrophobicContact CG1-CG2 4.09Å; I159-V191 HydrophobicContact CG2-CG1 3.84Å; I159-V191 HydrophobicContact CG2-CG2 4.17Å
160A92.5Very high89.7Confident55 Ų5551.9 Ų51.946%0.45528%0.283SS..Hα-helixtrans-65.5-43.1178.600000112.2D156 E157 S158 K164D156-A160 WeakPolarHBondContact O-CB 3.24Å; D156-A160 PolarHBondContact O-N 3.42Å; D156-A160 VanDerWaalsContact O-N 3.13Å; E157-A160 PolarHBondContact O-N 3.18Å; S158-A160 VanDerWaalsContact C-N 3.33Å; S158-A160 PolarHBondContact O-N 3.22Å; A160-K164 WeakPolarHBondContact O-CB 3.44Å; A160-K164 PolarHBondContact O-N 3.2Å
161I92.2Very high89.8Confident24 Ų2450.5 Ų50.512%0.12327%0.266CS..Hα-helixtrans-66.9-50.2178.6-62.4167000110.5L144 E157 S158 R163 K164 V165L144-I161 HydrophobicContact CD1-CG2 3.67Å; L144-I161 HydrophobicContact CD2-CG2 4.05Å; E157-I161 HydrophobicContact CG-CD1 3.96Å; E157-I161 VanDerWaalsContact O-CG1 3.31Å; E157-I161 WeakPolarHBondContact O-CG1 3.16Å; E157-I161 PolarHBondContact O-N 2.94Å; S158-I161 PolarHBondContact O-N 2.97Å; I161-R163 VanDerWaalsContact C-N 3.27Å; I161-R163 PolarHBondContact O-N 2.92Å; I161-K164 WeakPolarHBondContact O-CA 3.29Å; I161-K164 WeakPolarHBondContact O-CB 3.43Å; I161-K164 PolarHBondContact O-N 2.81Å; I161-V165 HydrophobicContact CG2-CG2 4.45Å; I161-V165 WeakPolarHBondContact O-CG2 3.3Å; I161-V165 PolarHBondContact O-N 3.1Å
162I94.4Very high90Very high5 Ų548.2 Ų48.23%0.02624%0.239CC..Hα-helixtrans-58.2-42.9179.5-68166000110.5V141 L144 V145 S158 K164 V165 Y166 F187V141-I162 HydrophobicContact CG1-CG2 4.01Å; L144-I162 HydrophobicContact CB-CD1 4.03Å; L144-I162 HydrophobicContact CB-CG1 3.64Å; L144-I162 HydrophobicContact CD1-CG1 3.84Å; L144-I162 HydrophobicContact CG-CG1 4.39Å; V145-I162 HydrophobicContact CG2-CD1 3.93Å; S158-I162 WeakPolarHBondContact O-CB 3.43Å; S158-I162 VanDerWaalsContact O-CG1 3.23Å; S158-I162 WeakPolarHBondContact O-CG1 3.44Å; S158-I162 PolarHBondContact O-N 3.47Å; I162-K164 PolarHBondContact O-N 3.48Å; I162-V165 PolarHBondContact O-N 3.04Å; I162-Y166 HydrophobicContact CG2-CD2 3.67Å; I162-Y166 HydrophobicContact CG2-CE2 3.53Å; I162-Y166 WeakPolarHBondContact O-CD2 3.43Å; I162-Y166 PolarHBondContact O-N 2.93Å; I162-F187 HydrophobicContact CB-CE2 3.98Å; I162-F187 HydrophobicContact CB-CZ 3.9Å; I162-F187 HydrophobicContact CD1-CE2 4.35Å; I162-F187 HydrophobicContact CG2-CD1 4.45Å; I162-F187 HydrophobicContact CG2-CD2 3.83Å; I162-F187 HydrophobicContact CG2-CE1 4.12Å; I162-F187 HydrophobicContact CG2-CE2 3.45Å; I162-F187 VanDerWaalsContact CG2-CE2 3.45Å; I162-F187 HydrophobicContact CG2-CG 4.31Å; I162-F187 HydrophobicContact CG2-CZ 3.6Å
163R94.3Very high90.5Very high45 Ų4544.6 Ų44.617%0.1722%0.223CC..Hα-helixtrans-59.8-45.8174.8-174.7174.9-6699.112.4111.5I159 I161 V165 Y166 L167 F187 E188I159-R163 VanDerWaalsContact CG2-NH1 3.28Å; I159-R163 VanDerWaalsContact O-CB 3.25Å; I159-R163 WeakPolarHBondContact O-CB 3.45Å; I159-R163 PolarHBondContact O-N 2.87Å; I161-R163 VanDerWaalsContact C-N 3.27Å; I161-R163 PolarHBondContact O-N 2.92Å; R163-V165 VanDerWaalsContact C-N 3.31Å; R163-V165 PolarHBondContact O-N 3.03Å; R163-Y166 PolarHBondContact O-N 2.76Å; R163-L167 HydrophobicContact CG-CD1 3.95Å; R163-L167 HydrophobicContact CG-CG 4.27Å; R163-L167 WeakPolarHBondContact O-CB 3.35Å; R163-L167 VanDerWaalsContact O-CG 3.26Å; R163-L167 WeakPolarHBondContact O-CG 3.45Å; R163-L167 PolarHBondContact O-N 3.42Å; R163-F187 HydrophobicContact CB-CE1 4.07Å; R163-E188 WeakPolarHBondContact CD-OE1 3.32Å; R163-E188 IonicContact CZ-OE1 3.4Å; R163-E188 IonicContact CZ-OE2 3.35Å; R163-E188 IonicContact NE-OE1 2.85Å; R163-E188 PolarHBondContact NE-OE1 3.47Å; R163-E188 IonicContact NE-OE2 3.67Å; R163-E188 PolarHBondContact NE-OE2 2.86Å; R163-E188 IonicContact NH2-OE1 3.9Å; R163-E188 IonicContact NH2-OE2 3.53Å; R163-E188 PolarHBondContact NH2-OE2 3.43Å
164K93Very high91Very high92 Ų9243.7 Ų43.740%0.422%0.218SC..Hα-helixtrans-57.7-44.1177.2-174.2-168.1176-158.60111.6A160 I161 I162 L167 R168 Y278A160-K164 WeakPolarHBondContact O-CB 3.44Å; A160-K164 PolarHBondContact O-N 3.2Å; I161-K164 WeakPolarHBondContact O-CA 3.29Å; I161-K164 WeakPolarHBondContact O-CB 3.43Å; I161-K164 PolarHBondContact O-N 2.81Å; I162-K164 PolarHBondContact O-N 3.48Å; K164-L167 PolarHBondContact O-N 3.02Å; K164-R168 WeakPolarHBondContact O-CB 3.44Å; K164-R168 PolarHBondContact O-N 3.39Å; K164-Y278 WeakPolarHBondContact CE-OH 3.21Å; K164-Y278 PolarHBondContact NZ-OH 2.87Å
165V93.5Very high91.2Very high4 Ų436.6 Ų36.62%0.02419%0.191CC..Hα-helixtrans-63.6-46.5178.7177.80000111.3Y137 Y140 V141 L144 I161 I162 R163 R168 A169Y137-V165 HydrophobicContact CD1-CG1 3.91Å; Y140-V165 HydrophobicContact CD1-CB 4.33Å; Y140-V165 HydrophobicContact CD1-CG1 3.7Å; Y140-V165 HydrophobicContact CD1-CG2 3.59Å; Y140-V165 HydrophobicContact CE1-CB 4.43Å; Y140-V165 HydrophobicContact CE1-CG1 4.25Å; Y140-V165 HydrophobicContact CE1-CG2 3.26Å; V141-V165 HydrophobicContact CG2-CB 4.4Å; V141-V165 HydrophobicContact CG2-CG1 3.84Å; L144-V165 HydrophobicContact CD1-CG2 4.14Å; I161-V165 HydrophobicContact CG2-CG2 4.45Å; I161-V165 WeakPolarHBondContact O-CG2 3.3Å; I161-V165 PolarHBondContact O-N 3.1Å; I162-V165 PolarHBondContact O-N 3.04Å; R163-V165 VanDerWaalsContact C-N 3.31Å; R163-V165 PolarHBondContact O-N 3.03Å; V165-R168 PolarHBondContact O-N 3.47Å; V165-A169 WeakPolarHBondContact O-CB 3.37Å; V165-A169 PolarHBondContact O-N 3.41Å
166Y94.3Very high91.4Very high8 Ų838.3 Ų38.33%0.03119%0.194CC..Hα-helixtrans-61.4-45.5176.1-82.6-54.1000112.5V141 I162 R163 R168 A169 I170 L180 R183 Y184 F187V141-Y166 HydrophobicContact CG1-CE2 3.94Å; V141-Y166 WeakPolarHBondContact CG1-OH 3.4Å; V141-Y166 HydrophobicContact CG2-CE1 4.13Å; V141-Y166 HydrophobicContact CG2-CE2 4.26Å; I162-Y166 HydrophobicContact CG2-CD2 3.67Å; I162-Y166 HydrophobicContact CG2-CE2 3.53Å; I162-Y166 WeakPolarHBondContact O-CD2 3.43Å; I162-Y166 PolarHBondContact O-N 2.93Å; R163-Y166 PolarHBondContact O-N 2.76Å; Y166-R168 VanDerWaalsContact C-N 3.33Å; Y166-R168 PolarHBondContact O-N 3.28Å; Y166-A169 PolarHBondContact O-N 3.1Å; Y166-I170 WeakPolarHBondContact O-CB 3.36Å; Y166-I170 WeakPolarHBondContact O-CD1 3.18Å; Y166-I170 VanDerWaalsContact O-CG1 3.23Å; Y166-I170 WeakPolarHBondContact O-CG1 3.07Å; Y166-I170 PolarHBondContact O-N 3.06Å; Y166-L180 HydrophobicContact CD1-CD1 4.17Å; Y166-L180 HydrophobicContact CD1-CG 4.28Å; Y166-L180 HydrophobicContact CE1-CD1 4.27Å; Y166-R183 HydrophobicContact CE1-CB 4.04Å; Y166-R183 PolarHBondContact OH-NE 3.4Å; Y166-Y184 HydrophobicContact CD2-CD2 4Å; Y166-Y184 AromaticContact CG-CD2 3.85Å; Y166-Y184 HydrophobicContact CG-CD2 3.85Å; Y166-Y184 HydrophobicContact CG-CG 4.44Å; Y166-F187 HydrophobicContact CD2-CB 4.45Å; Y166-F187 AromaticContact CD2-CD1 4Å; Y166-F187 HydrophobicContact CD2-CD1 4Å; Y166-F187 HydrophobicContact CD2-CE1 4.5Å; Y166-F187 HydrophobicContact CD2-CG 4.2Å; Y166-F187 HydrophobicContact CE2-CB 3.87Å; Y166-F187 HydrophobicContact CE2-CD1 4.15Å; Y166-F187 HydrophobicContact CE2-CD2 4.37Å; Y166-F187 AromaticContact CE2-CG 3.87Å; Y166-F187 HydrophobicContact CE2-CG 3.87Å
167L92.2Very high91.5Very high45 Ų4532.2 Ų32.224%0.23616%0.161CC..Hα-helixtrans-64.9-37.7179.3-67.4177.8000111.9R163 K164 N171 Y184 V203R163-L167 HydrophobicContact CG-CD1 3.95Å; R163-L167 HydrophobicContact CG-CG 4.27Å; R163-L167 WeakPolarHBondContact O-CB 3.35Å; R163-L167 VanDerWaalsContact O-CG 3.26Å; R163-L167 WeakPolarHBondContact O-CG 3.45Å; R163-L167 PolarHBondContact O-N 3.42Å; K164-L167 PolarHBondContact O-N 3.02Å; L167-N171 PolarHBondContact O-N 2.9Å; L167-N171 PolarHBondContact O-ND2 2.84Å; L167-Y184 HydrophobicContact CD2-CE2 4.4Å; L167-V203 HydrophobicContact CD2-CB 4.45Å; L167-V203 HydrophobicContact CD2-CG1 3.92Å; L167-V203 HydrophobicContact CD2-CG2 3.59Å
168R90.6Very high91.6Very high47 Ų4730.5 Ų30.518%0.17716%0.16CC..Hα-helixtrans-58.5-50.4172.3-177.2-179.6177.91549110.4E121 L124 D125 Y137 K164 V165 Y166 N171 T172E121-R168 IonicContact OE2-NH1 2.74Å; L124-R168 PolarHBondContact O-NH2 2.93Å; D125-R168 IonicContact OD1-CZ 3.4Å; D125-R168 VanDerWaalsContact OD1-CZ 3.24Å; D125-R168 IonicContact OD1-NH1 3.61Å; D125-R168 PolarHBondContact OD1-NH1 2.88Å; D125-R168 IonicContact OD1-NH2 3.33Å; D125-R168 PolarHBondContact OD1-NH2 3.28Å; Y137-R168 HydrophobicContact CE1-CB 4.48Å; Y137-R168 HydrophobicContact CE1-CG 4.23Å; K164-R168 WeakPolarHBondContact O-CB 3.44Å; K164-R168 PolarHBondContact O-N 3.39Å; V165-R168 PolarHBondContact O-N 3.47Å; Y166-R168 VanDerWaalsContact C-N 3.33Å; Y166-R168 PolarHBondContact O-N 3.28Å; R168-N171 PolarHBondContact O-N 3.33Å; R168-T172 PolarHBondContact O-N 3.21Å; R168-T172 PolarHBondContact O-OG1 2.96Å
169A91.9Very high91.8Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-66.9-37.1-17900000113.6Y137 V165 Y166 N171 T172 M174 L180Y137-A169 HydrophobicContact CD1-CB 3.52Å; Y137-A169 HydrophobicContact CD2-CB 3.98Å; Y137-A169 HydrophobicContact CE1-CB 3.63Å; Y137-A169 HydrophobicContact CE2-CB 4.1Å; Y137-A169 HydrophobicContact CG-CB 3.69Å; V165-A169 WeakPolarHBondContact O-CB 3.37Å; V165-A169 PolarHBondContact O-N 3.41Å; Y166-A169 PolarHBondContact O-N 3.1Å; A169-N171 PolarHBondContact O-N 3.17Å; A169-T172 PolarHBondContact O-N 3.27Å; A169-M174 HydrophobicContact CB-CE 4.03Å; A169-M174 WeakPolarHBondContact O-CE 3.27Å; A169-L180 HydrophobicContact CB-CD1 3.88Å; A169-L180 HydrophobicContact CB-CD2 3.3Å; A169-L180 HydrophobicContact CB-CG 4.18Å
170I91.3Very high91.9Very high0 Ų032.8 Ų32.80%017%0.172CC..Hα-helixtrans-67.3-25.1176.7-68.9162.1000111.8Y166 T172 H177 L180 W181 Y184 V203 Y207 I210Y166-I170 WeakPolarHBondContact O-CB 3.36Å; Y166-I170 WeakPolarHBondContact O-CD1 3.18Å; Y166-I170 VanDerWaalsContact O-CG1 3.23Å; Y166-I170 WeakPolarHBondContact O-CG1 3.07Å; Y166-I170 PolarHBondContact O-N 3.06Å; I170-T172 VanDerWaalsContact C-N 3.32Å; I170-H177 PolarHBondContact O-CE1 3.39Å; I170-H177 PolarHBondContact O-NE2 3.24Å; I170-L180 HydrophobicContact CG1-CD2 3.74Å; I170-W181 HydrophobicContact CD1-CE3 3.88Å; I170-W181 HydrophobicContact CD1-CZ3 4.08Å; I170-W181 HydrophobicContact CG1-CE3 4.3Å; I170-W181 HydrophobicContact CG2-CE3 4.3Å; I170-W181 HydrophobicContact CG2-CZ3 4.37Å; I170-Y184 HydrophobicContact CD1-CD1 3.49Å; I170-Y184 VanDerWaalsContact CD1-CD1 3.49Å; I170-Y184 HydrophobicContact CD1-CD2 4.16Å; I170-Y184 HydrophobicContact CD1-CE1 4.14Å; I170-Y184 HydrophobicContact CD1-CG 3.51Å; I170-V203 HydrophobicContact CD1-CG1 4.3Å; I170-V203 HydrophobicContact CG2-CG1 3.83Å; I170-Y207 HydrophobicContact CG2-CD2 4.33Å; I170-I210 WeakPolarHBondContact O-CG2 3.29Å
171N87.7Confident92Very high41 Ų4132 Ų3222%0.21916%0.157CC..THydrogen-bonded Turntrans-881.1176.8-72-51.7000113.7L167 R168 A169 V206L167-N171 PolarHBondContact O-N 2.9Å; L167-N171 PolarHBondContact O-ND2 2.84Å; R168-N171 PolarHBondContact O-N 3.33Å; A169-N171 PolarHBondContact O-N 3.17Å; N171-V206 WeakPolarHBondContact OD1-CG1 3.44Å
172T87.9Confident92.1Very high13 Ų1337.7 Ų37.78%0.0818%0.181CC..SBendtrans-114122.1-178-60.10000110.6L129 R168 A169 I170 M174 H177L129-T172 HydrophobicContact CD2-CG2 3.6Å; R168-T172 PolarHBondContact O-N 3.21Å; R168-T172 PolarHBondContact O-OG1 2.96Å; A169-T172 PolarHBondContact O-N 3.27Å; I170-T172 VanDerWaalsContact C-N 3.32Å; T172-M174 HydrophobicContact CG2-CE 4.05Å; T172-M174 WeakPolarHBondContact O-CE 3.35Å; T172-M174 PolarHBondContact O-N 3.4Å; T172-H177 PolarHBondContact O-ND1 2.88Å
173P91.6Very high92.2Very high12 Ų1240.6 Ų40.68%0.07819%0.191CC..  trans-60.2126.2171.5-21.732.8000111I210 L213 S214 M217 L258P173-I210 HydrophobicContact CG-CG2 4.2Å; P173-L213 HydrophobicContact CB-CB 4.44Å; P173-L213 HydrophobicContact CG-CB 4.12Å; P173-S214 WeakPolarHBondContact CA-OG 3.31Å; P173-M217 HydrophobicContact CB-SD 4.16Å; P173-L258 HydrophobicContact CG-CD2 3.87Å; P173-L258 HydrophobicContact CG-CG 4.38Å
174M92.1Very high92.2Very high0 Ų038.6 Ų38.60%018%0.184CC..  trans-160.9164.3179.967.9-177.782.800111.7Y137 A169 T172 H177 S214Y137-M174 HydrophobicContact CD2-CE 3.96Å; Y137-M174 HydrophobicContact CD2-SD 4.15Å; Y137-M174 HydrophobicContact CE2-CE 3.67Å; Y137-M174 HydrophobicContact CE2-SD 4.38Å; A169-M174 HydrophobicContact CB-CE 4.03Å; A169-M174 WeakPolarHBondContact O-CE 3.27Å; T172-M174 HydrophobicContact CG2-CE 4.05Å; T172-M174 WeakPolarHBondContact O-CE 3.35Å; T172-M174 PolarHBondContact O-N 3.4Å; M174-H177 HydrophobicContact CG-CB 4.45Å; M174-H177 WeakPolarHBondContact O-CB 3.37Å; M174-S214 PolarHBondContact N-OG 3.5Å
175A92Very high92.3Very high18 Ų1835.3 Ų35.315%0.14917%0.172CC..THydrogen-bonded Turntrans-62.3148.6170.800000111.3H131 H177H131-A175 WeakPolarHBondContact O-CB 3.25Å; H131-A175 PolarHBondContact O-N 3.04Å; A175-H177 PolarHBondContact O-N 3.49Å; A175-H177 VanDerWaalsContact O-N 3.17Å
176K90.5Very high92.4Very high138 Ų13837 Ų3760%0.619%0.187SC*.THydrogen-bonded Turntrans57.624.7179.5-54.7-179.7-179.9179.40113.9Y134 S178 L179Y134-K176 HydrophobicContact CD1-CB 4.38Å; Y134-K176 HydrophobicContact CD1-CD 4.09Å; Y134-K176 HydrophobicContact CD2-CB 4.06Å; Y134-K176 HydrophobicContact CE1-CD 4.36Å; Y134-K176 HydrophobicContact CE2-CB 4.44Å; Y134-K176 HydrophobicContact CG-CB 4.05Å; K176-S178 PolarHBondContact O-N 2.93Å; K176-S178 VanDerWaalsContact O-N 3.13Å; K176-L179 WeakPolarHBondContact O-CB 3.29Å; K176-L179 PolarHBondContact O-N 3.38Å
177H89.2Confident92.4Very high6 Ų637.9 Ų37.93%0.02819%0.191CC..Hα-helixtrans-52.5-35.7177.4-166.673.7000113.5I170 T172 M174 A175 L179 L180 W181 Y207I170-H177 PolarHBondContact O-CE1 3.39Å; I170-H177 PolarHBondContact O-NE2 3.24Å; T172-H177 PolarHBondContact O-ND1 2.88Å; M174-H177 HydrophobicContact CG-CB 4.45Å; M174-H177 WeakPolarHBondContact O-CB 3.37Å; A175-H177 PolarHBondContact O-N 3.49Å; A175-H177 VanDerWaalsContact O-N 3.17Å; H177-L179 VanDerWaalsContact C-N 3.31Å; H177-L179 PolarHBondContact O-N 3.42Å; H177-L180 WeakPolarHBondContact O-CB 3.33Å; H177-L180 PolarHBondContact O-N 2.88Å; H177-W181 PolarHBondContact O-N 3.05Å; H177-W181 VanDerWaalsContact O-N 3.16Å; H177-Y207 AromaticContact CD2-CD2 3.67Å; H177-Y207 AromaticContact CD2-CE2 3.41Å; H177-Y207 VanDerWaalsContact CD2-CE2 3.41Å; H177-Y207 WeakPolarHBondContact CD2-CE2 3.48Å; H177-Y207 AromaticContact NE2-CD2 3.43Å; H177-Y207 WeakPolarHBondContact NE2-CD2 3.27Å; H177-Y207 AromaticContact NE2-CE2 3.7Å
178S92.1Very high92.6Very high58 Ų5835.7 Ų35.741%0.40618%0.18SC..Hα-helixtrans-64-29.8177.159.90000114.2K176 K182K176-S178 PolarHBondContact O-N 2.93Å; K176-S178 VanDerWaalsContact O-N 3.13Å; S178-K182 WeakPolarHBondContact O-CG 3.19Å; S178-K182 PolarHBondContact O-N 3.03Å
179L93.9Very high92.8Very high74 Ų7438.4 Ų38.439%0.38719%0.194SC..Hα-helixtrans-74-39.4177.2-17755.6000111.1Y134 K176 H177 W181 K182 R183Y134-L179 HydrophobicContact CE1-CD2 4.3Å; Y134-L179 HydrophobicContact CE2-CB 4.13Å; Y134-L179 HydrophobicContact CE2-CD2 4.26Å; Y134-L179 HydrophobicContact CE2-CG 4.19Å; Y134-L179 WeakPolarHBondContact OH-CD2 3.43Å; Y134-L179 WeakPolarHBondContact OH-CG 3.33Å; K176-L179 WeakPolarHBondContact O-CB 3.29Å; K176-L179 PolarHBondContact O-N 3.38Å; H177-L179 VanDerWaalsContact C-N 3.31Å; H177-L179 PolarHBondContact O-N 3.42Å; L179-W181 VanDerWaalsContact C-N 3.34Å; L179-W181 PolarHBondContact O-N 3.02Å; L179-K182 PolarHBondContact O-N 3.28Å; L179-R183 PolarHBondContact O-N 3.29Å; L179-R183 VanDerWaalsContact O-N 3.07Å
180L92.7Very high92.8Very high3 Ų347.2 Ų47.22%0.01623%0.232CC..Hα-helixtrans-60.9-43.3174.8-173.695.5000111.3Y134 Y166 A169 I170 H177 K182 R183 Y184Y134-L180 HydrophobicContact CD2-CB 4.36Å; Y134-L180 HydrophobicContact CE2-CB 4.21Å; Y166-L180 HydrophobicContact CD1-CD1 4.17Å; Y166-L180 HydrophobicContact CD1-CG 4.28Å; Y166-L180 HydrophobicContact CE1-CD1 4.27Å; A169-L180 HydrophobicContact CB-CD1 3.88Å; A169-L180 HydrophobicContact CB-CD2 3.3Å; A169-L180 HydrophobicContact CB-CG 4.18Å; I170-L180 HydrophobicContact CG1-CD2 3.74Å; H177-L180 WeakPolarHBondContact O-CB 3.33Å; H177-L180 PolarHBondContact O-N 2.88Å; L180-K182 PolarHBondContact O-N 3.48Å; L180-R183 PolarHBondContact O-N 2.89Å; L180-Y184 PolarHBondContact O-N 3.1Å
181W94.4Very high92.8Very high39 Ų3949.5 Ų49.515%0.14825%0.246CC..Hα-helixtrans-58.9-45.3175.6178.3-111.5000113I170 H177 L179 R183 Y184 C185 T200 V203 G204 Y207I170-W181 HydrophobicContact CD1-CE3 3.88Å; I170-W181 HydrophobicContact CD1-CZ3 4.08Å; I170-W181 HydrophobicContact CG1-CE3 4.3Å; I170-W181 HydrophobicContact CG2-CE3 4.3Å; I170-W181 HydrophobicContact CG2-CZ3 4.37Å; H177-W181 PolarHBondContact O-N 3.05Å; H177-W181 VanDerWaalsContact O-N 3.16Å; L179-W181 VanDerWaalsContact C-N 3.34Å; L179-W181 PolarHBondContact O-N 3.02Å; W181-R183 VanDerWaalsContact C-N 3.32Å; W181-R183 PolarHBondContact O-N 3.47Å; W181-Y184 HydrophobicContact CE3-CD1 4.08Å; W181-Y184 HydrophobicContact CH2-CD1 4.45Å; W181-Y184 AromaticContact CZ3-CD1 3.78Å; W181-Y184 HydrophobicContact CZ3-CD1 3.78Å; W181-Y184 HydrophobicContact CZ3-CE1 4.12Å; W181-Y184 PolarHBondContact O-N 3.31Å; W181-C185 VanDerWaalsContact CE2-SG 3.54Å; W181-C185 PolarHBondContact O-N 2.71Å; W181-C185 PolarHBondContact O-SG 3.18Å; W181-T200 HydrophobicContact CH2-CG2 3.77Å; W181-T200 WeakPolarHBondContact CH2-O 3.42Å; W181-T200 HydrophobicContact CZ2-CG2 3.61Å; W181-V203 HydrophobicContact CH2-CB 4.27Å; W181-V203 HydrophobicContact CH2-CG1 4.41Å; W181-V203 HydrophobicContact CZ3-CB 4.12Å; W181-V203 HydrophobicContact CZ3-CG1 3.79Å; W181-G204 VanDerWaalsContact CH2-CA 3.45Å; W181-Y207 HydrophobicContact CB-CD2 3.83Å; W181-Y207 HydrophobicContact CB-CE1 4.3Å; W181-Y207 HydrophobicContact CB-CE2 3.32Å; W181-Y207 HydrophobicContact CB-CG 4.5Å; W181-Y207 AromaticContact CD1-CE1 3.51Å; W181-Y207 AromaticContact CD1-CZ 3.57Å; W181-Y207 AromaticContact CD2-CD1 3.62Å; W181-Y207 HydrophobicContact CD2-CD1 3.62Å; W181-Y207 AromaticContact CD2-CD2 3.74Å; W181-Y207 HydrophobicContact CD2-CD2 3.74Å; W181-Y207 AromaticContact CD2-CE1 3.88Å; W181-Y207 HydrophobicContact CD2-CE1 3.88Å; W181-Y207 AromaticContact CD2-CE2 3.99Å; W181-Y207 HydrophobicContact CD2-CE2 3.99Å; W181-Y207 AromaticContact CD2-CG 3.54Å; W181-Y207 HydrophobicContact CD2-CG 3.54Å; W181-Y207 AromaticContact CE2-CD1 3.63Å; W181-Y207 AromaticContact CE2-CE1 3.93Å; W181-Y207 AromaticContact CE2-CG 3.99Å; W181-Y207 HydrophobicContact CE3-CD1 4.07Å; W181-Y207 AromaticContact CE3-CD2 3.71Å; W181-Y207 HydrophobicContact CE3-CD2 3.71Å; W181-Y207 HydrophobicContact CE3-CE2 4.37Å; W181-Y207 AromaticContact CE3-CG 3.53Å; W181-Y207 HydrophobicContact CE3-CG 3.53Å; W181-Y207 AromaticContact CG-CD1 3.92Å; W181-Y207 HydrophobicContact CG-CD1 3.92Å; W181-Y207 AromaticContact CG-CD2 3.81Å; W181-Y207 HydrophobicContact CG-CD2 3.81Å; W181-Y207 AromaticContact CG-CE1 3.64Å; W181-Y207 HydrophobicContact CG-CE1 3.64Å; W181-Y207 AromaticContact CG-CE2 3.53Å; W181-Y207 HydrophobicContact CG-CE2 3.53Å; W181-Y207 AromaticContact CG-CG 3.98Å; W181-Y207 HydrophobicContact CG-CG 3.98Å; W181-Y207 AromaticContact CG-CZ 3.43Å; W181-Y207 VanDerWaalsContact CG-CZ 3.43Å; W181-Y207 HydrophobicContact CH2-CG 4.42Å; W181-Y207 HydrophobicContact CZ2-CD1 4.11Å; W181-Y207 HydrophobicContact CZ2-CG 4.41Å; W181-Y207 HydrophobicContact CZ3-CG 4Å; W181-Y207 AromaticContact NE1-CD1 3.87Å; W181-Y207 AromaticContact NE1-CE1 3.67Å
182K95.2Very high92.9Very high144 Ų14449.7 Ų49.763%0.62625%0.247SC*.Hα-helixtrans-59.4-43.5175.2-71.4176.6-178-178.50111.6S178 L179 L180 C185 A186S178-K182 WeakPolarHBondContact O-CG 3.19Å; S178-K182 PolarHBondContact O-N 3.03Å; L179-K182 PolarHBondContact O-N 3.28Å; L180-K182 PolarHBondContact O-N 3.48Å; K182-C185 PolarHBondContact O-N 3.13Å; K182-A186 PolarHBondContact O-N 2.68Å; K182-A186 VanDerWaalsContact O-N 3.1Å
183R95.2Very high93.1Very high65 Ų6554.4 Ų54.425%0.24528%0.276CS..Hα-helixtrans-63.1-41.8176.5-72.1-167.862.5153.80.3111.9N138 D142 Y166 L179 L180 W181 A186 F187N138-R183 VanDerWaalsContact CG-NH1 3.29Å; N138-R183 PolarHBondContact ND2-NH1 3.15Å; N138-R183 PolarHBondContact OD1-NH1 3.04Å; D142-R183 IonicContact OD1-CZ 2.91Å; D142-R183 IonicContact OD1-NH1 2.91Å; D142-R183 PolarHBondContact OD1-NH1 2.98Å; D142-R183 VanDerWaalsContact OD1-NH1 3.15Å; D142-R183 IonicContact OD1-NH2 3.62Å; D142-R183 PolarHBondContact OD1-NH2 3.44Å; D142-R183 IonicContact OD2-NH1 3.59Å; D142-R183 PolarHBondContact OD2-NH1 3.46Å; Y166-R183 HydrophobicContact CE1-CB 4.04Å; Y166-R183 PolarHBondContact OH-NE 3.4Å; L179-R183 PolarHBondContact O-N 3.29Å; L179-R183 VanDerWaalsContact O-N 3.07Å; L180-R183 PolarHBondContact O-N 2.89Å; W181-R183 VanDerWaalsContact C-N 3.32Å; W181-R183 PolarHBondContact O-N 3.47Å; R183-A186 PolarHBondContact O-N 2.98Å; R183-F187 WeakPolarHBondContact O-CB 3.25Å; R183-F187 PolarHBondContact O-N 3.39Å
184Y95.3Very high93.1Very high4 Ų465 Ų652%0.01631%0.314CS..Hα-helixtrans-63.3-45.9176.8173.7-113000112.7Y166 L167 I170 L180 W181 A186 F187 E188 V203Y166-Y184 HydrophobicContact CD2-CD2 4Å; Y166-Y184 AromaticContact CG-CD2 3.85Å; Y166-Y184 HydrophobicContact CG-CD2 3.85Å; Y166-Y184 HydrophobicContact CG-CG 4.44Å; L167-Y184 HydrophobicContact CD2-CE2 4.4Å; I170-Y184 HydrophobicContact CD1-CD1 3.49Å; I170-Y184 VanDerWaalsContact CD1-CD1 3.49Å; I170-Y184 HydrophobicContact CD1-CD2 4.16Å; I170-Y184 HydrophobicContact CD1-CE1 4.14Å; I170-Y184 HydrophobicContact CD1-CG 3.51Å; L180-Y184 PolarHBondContact O-N 3.1Å; W181-Y184 HydrophobicContact CE3-CD1 4.08Å; W181-Y184 HydrophobicContact CH2-CD1 4.45Å; W181-Y184 AromaticContact CZ3-CD1 3.78Å; W181-Y184 HydrophobicContact CZ3-CD1 3.78Å; W181-Y184 HydrophobicContact CZ3-CE1 4.12Å; W181-Y184 PolarHBondContact O-N 3.31Å; Y184-A186 VanDerWaalsContact C-N 3.32Å; Y184-A186 PolarHBondContact O-N 2.94Å; Y184-F187 HydrophobicContact CD2-CD1 4.34Å; Y184-F187 HydrophobicContact CE2-CD1 4.49Å; Y184-F187 WeakPolarHBondContact O-CB 3.46Å; Y184-F187 PolarHBondContact O-N 3.12Å; Y184-F187 VanDerWaalsContact O-N 3.11Å; Y184-E188 HydrophobicContact CD2-CG 4.22Å; Y184-E188 HydrophobicContact CE1-CG 4.18Å; Y184-E188 HydrophobicContact CE2-CG 3.55Å; Y184-E188 WeakPolarHBondContact CE2-OE1 3.01Å; Y184-E188 PolarHBondContact O-N 3.2Å; Y184-E188 PolarHBondContact OH-OE1 2.88Å; Y184-V203 HydrophobicContact CE1-CB 4.23Å; Y184-V203 HydrophobicContact CE1-CG1 4.35Å; Y184-V203 HydrophobicContact CE1-CG2 4.22Å
185C95.1Very high93.1Very high23 Ų2369.9 Ų69.916%0.15534%0.337CS..Hα-helixtrans-58.8-45176.6-63.70000111.4W181 K182 F187 E188 Q189 T200W181-C185 VanDerWaalsContact CE2-SG 3.54Å; W181-C185 PolarHBondContact O-N 2.71Å; W181-C185 PolarHBondContact O-SG 3.18Å; K182-C185 PolarHBondContact O-N 3.13Å; C185-F187 VanDerWaalsContact C-N 3.31Å; C185-F187 PolarHBondContact O-N 3.21Å; C185-E188 PolarHBondContact O-N 3.31Å; C185-Q189 VanDerWaalsContact O-CG 3.3Å; C185-Q189 WeakPolarHBondContact O-CG 3.35Å; C185-Q189 PolarHBondContact O-N 3.28Å; C185-Q189 VanDerWaalsContact O-N 3.1Å; C185-T200 HydrophobicContact CB-CG2 4.5Å; C185-T200 WeakPolarHBondContact SG-CG2 3.3Å
186A95.5Very high93Very high40 Ų4069.1 Ų69.133%0.33133%0.331SS..Hα-helixtrans-65.2-33.6176.300000112.6K182 R183 Y184 K190K182-A186 PolarHBondContact O-N 2.68Å; K182-A186 VanDerWaalsContact O-N 3.1Å; R183-A186 PolarHBondContact O-N 2.98Å; Y184-A186 VanDerWaalsContact C-N 3.32Å; Y184-A186 PolarHBondContact O-N 2.94Å; A186-K190 VanDerWaalsContact O-CG 3.28Å; A186-K190 WeakPolarHBondContact O-CG 3.4Å; A186-K190 PolarHBondContact O-N 2.89Å; A186-K190 VanDerWaalsContact O-N 3.12Å
187F95.1Very high93Very high25 Ų2568.2 Ų68.211%0.1133%0.333CS..Hα-helixtrans-66.6-49.7175.1165.9-100.9000111.9I159 I162 R163 Y166 R183 Y184 C185 Q189 K190 V191I159-F187 HydrophobicContact CG2-CZ 4.34Å; I162-F187 HydrophobicContact CB-CE2 3.98Å; I162-F187 HydrophobicContact CB-CZ 3.9Å; I162-F187 HydrophobicContact CD1-CE2 4.35Å; I162-F187 HydrophobicContact CG2-CD1 4.45Å; I162-F187 HydrophobicContact CG2-CD2 3.83Å; I162-F187 HydrophobicContact CG2-CE1 4.12Å; I162-F187 HydrophobicContact CG2-CE2 3.45Å; I162-F187 VanDerWaalsContact CG2-CE2 3.45Å; I162-F187 HydrophobicContact CG2-CG 4.31Å; I162-F187 HydrophobicContact CG2-CZ 3.6Å; R163-F187 HydrophobicContact CB-CE1 4.07Å; Y166-F187 HydrophobicContact CD2-CB 4.45Å; Y166-F187 AromaticContact CD2-CD1 4Å; Y166-F187 HydrophobicContact CD2-CD1 4Å; Y166-F187 HydrophobicContact CD2-CE1 4.5Å; Y166-F187 HydrophobicContact CD2-CG 4.2Å; Y166-F187 HydrophobicContact CE2-CB 3.87Å; Y166-F187 HydrophobicContact CE2-CD1 4.15Å; Y166-F187 HydrophobicContact CE2-CD2 4.37Å; Y166-F187 AromaticContact CE2-CG 3.87Å; Y166-F187 HydrophobicContact CE2-CG 3.87Å; R183-F187 WeakPolarHBondContact O-CB 3.25Å; R183-F187 PolarHBondContact O-N 3.39Å; Y184-F187 HydrophobicContact CD2-CD1 4.34Å; Y184-F187 HydrophobicContact CE2-CD1 4.49Å; Y184-F187 WeakPolarHBondContact O-CB 3.46Å; Y184-F187 PolarHBondContact O-N 3.12Å; Y184-F187 VanDerWaalsContact O-N 3.11Å; C185-F187 VanDerWaalsContact C-N 3.31Å; C185-F187 PolarHBondContact O-N 3.21Å; F187-Q189 VanDerWaalsContact C-N 3.31Å; F187-Q189 PolarHBondContact O-N 2.65Å; F187-K190 PolarHBondContact O-N 3.47Å; F187-K190 VanDerWaalsContact O-N 3.1Å; F187-V191 HydrophobicContact CD2-CG2 4.06Å; F187-V191 HydrophobicContact CE1-CG2 4.14Å; F187-V191 HydrophobicContact CE2-CG2 3.6Å; F187-V191 HydrophobicContact CZ-CG2 3.65Å; F187-V191 WeakPolarHBondContact O-CG2 3.47Å; F187-V191 PolarHBondContact O-N 3.14Å
188E94.7Very high93.1Very high0 Ų070.4 Ų70.40%036%0.356CS..Hα-helixtrans-63.7-37.6179-68.1-68.8-179.400111.8R163 Y184 C185 K190 V191 D192 A196 R199R163-E188 WeakPolarHBondContact CD-OE1 3.32Å; R163-E188 IonicContact CZ-OE1 3.4Å; R163-E188 IonicContact CZ-OE2 3.35Å; R163-E188 IonicContact NE-OE1 2.85Å; R163-E188 PolarHBondContact NE-OE1 3.47Å; R163-E188 IonicContact NE-OE2 3.67Å; R163-E188 PolarHBondContact NE-OE2 2.86Å; R163-E188 IonicContact NH2-OE1 3.9Å; R163-E188 IonicContact NH2-OE2 3.53Å; R163-E188 PolarHBondContact NH2-OE2 3.43Å; Y184-E188 HydrophobicContact CD2-CG 4.22Å; Y184-E188 HydrophobicContact CE1-CG 4.18Å; Y184-E188 HydrophobicContact CE2-CG 3.55Å; Y184-E188 WeakPolarHBondContact CE2-OE1 3.01Å; Y184-E188 PolarHBondContact O-N 3.2Å; Y184-E188 PolarHBondContact OH-OE1 2.88Å; C185-E188 PolarHBondContact O-N 3.31Å; E188-K190 VanDerWaalsContact C-N 3.31Å; E188-K190 PolarHBondContact O-N 3.11Å; E188-V191 PolarHBondContact O-N 3.11Å; E188-D192 CarbonylContact O-C 3.56Å; E188-D192 PolarHBondContact O-N 3.02Å; E188-A196 HydrophobicContact CB-CB 4.14Å; E188-R199 WeakPolarHBondContact OE2-CD 3.37Å; E188-R199 IonicContact OE2-CZ 2.81Å; E188-R199 IonicContact OE2-NH1 3.5Å; E188-R199 PolarHBondContact OE2-NH1 2.92Å
189Q94.6Very high93Very high104 Ų10471 Ų7149%0.48635%0.35SS..Hα-helixtrans-60.6-38.2172.9-74.4175.20.900112.6C185 F187 V193 A196C185-Q189 VanDerWaalsContact O-CG 3.3Å; C185-Q189 WeakPolarHBondContact O-CG 3.35Å; C185-Q189 PolarHBondContact O-N 3.28Å; C185-Q189 VanDerWaalsContact O-N 3.1Å; F187-Q189 VanDerWaalsContact C-N 3.31Å; F187-Q189 PolarHBondContact O-N 2.65Å; Q189-V193 VanDerWaalsContact O-CG2 3.24Å; Q189-V193 WeakPolarHBondContact O-CG2 3.48Å; Q189-A196 HydrophobicContact CG-CB 4.07Å
190K93Very high92.9Very high184 Ų18468.7 Ų68.780%0.834%0.339SS*.Hα-helixtrans-72.3-34.6176.7-76.4176.1-179.2-174.40113.1A186 F187 E188A186-K190 VanDerWaalsContact O-CG 3.28Å; A186-K190 WeakPolarHBondContact O-CG 3.4Å; A186-K190 PolarHBondContact O-N 2.89Å; A186-K190 VanDerWaalsContact O-N 3.12Å; F187-K190 PolarHBondContact O-N 3.47Å; F187-K190 VanDerWaalsContact O-N 3.1Å; E188-K190 VanDerWaalsContact C-N 3.31Å; E188-K190 PolarHBondContact O-N 3.11Å
191V90.9Very high92.9Very high48 Ų4871.7 Ų71.729%0.29136%0.364SS..Hα-helixtrans-73.5-52.9-179.5170.60000111.2I159 F187 E188I159-V191 HydrophobicContact CD1-CG1 4.06Å; I159-V191 HydrophobicContact CD1-CG2 4.32Å; I159-V191 HydrophobicContact CG1-CG1 4.49Å; I159-V191 HydrophobicContact CG1-CG2 4.09Å; I159-V191 HydrophobicContact CG2-CG1 3.84Å; I159-V191 HydrophobicContact CG2-CG2 4.17Å; F187-V191 HydrophobicContact CD2-CG2 4.06Å; F187-V191 HydrophobicContact CE1-CG2 4.14Å; F187-V191 HydrophobicContact CE2-CG2 3.6Å; F187-V191 HydrophobicContact CZ-CG2 3.65Å; F187-V191 WeakPolarHBondContact O-CG2 3.47Å; F187-V191 PolarHBondContact O-N 3.14Å; E188-V191 PolarHBondContact O-N 3.11Å
192D90.3Very high92.6Very high45 Ų4573.2 Ų73.224%0.24139%0.385CS..  trans-15499.9-179.8-177.8-4.2000110.7E188 R194 Q195 A196E188-D192 CarbonylContact O-C 3.56Å; E188-D192 PolarHBondContact O-N 3.02Å; D192-R194 PolarHBondContact O-N 2.99Å; D192-R194 VanDerWaalsContact O-N 3.14Å; D192-R194 WeakPolarHBondContact OD1-CB 3.22Å; D192-R194 PolarHBondContact OD1-N 3.11Å; D192-Q195 HydrophobicContact CB-CB 4.36Å; D192-Q195 PolarHBondContact O-N 3.06Å; D192-Q195 PolarHBondContact OD1-N 3.16Å; D192-Q195 WeakPolarHBondContact OD2-CB 3.35Å; D192-Q195 WeakPolarHBondContact OD2-CG 3.35Å; D192-A196 VanDerWaalsContact O-CB 3.25Å; D192-A196 WeakPolarHBondContact O-CB 3.36Å; D192-A196 PolarHBondContact O-N 3.29Å
193V92.3Very high92.4Very high113 Ų11367.3 Ų67.369%0.68536%0.361SS*.Hα-helixtrans-55-32.7178.6-176.80000112.3Q189Q189-V193 VanDerWaalsContact O-CG2 3.24Å; Q189-V193 WeakPolarHBondContact O-CG2 3.48Å
194R91.6Very high92.2Very high234 Ų23464.9 Ų64.988%0.88336%0.356SS*.Hα-helixtrans-74.4-40.4-176.6-61.4-179178179.2-0111.7D192D192-R194 PolarHBondContact O-N 2.99Å; D192-R194 VanDerWaalsContact O-N 3.14Å; D192-R194 WeakPolarHBondContact OD1-CB 3.22Å; D192-R194 PolarHBondContact OD1-N 3.11Å
195Q90.6Very high91.7Very high103 Ų10372.3 Ų72.348%0.48139%0.391SS..Hα-helixtrans-92-16.2-179.1-66.5-173.214.500113.8D192 N197 G198 R199D192-Q195 HydrophobicContact CB-CB 4.36Å; D192-Q195 PolarHBondContact O-N 3.06Å; D192-Q195 PolarHBondContact OD1-N 3.16Å; D192-Q195 WeakPolarHBondContact OD2-CB 3.35Å; D192-Q195 WeakPolarHBondContact OD2-CG 3.35Å; Q195-N197 PolarHBondContact O-N 2.8Å; Q195-G198 PolarHBondContact O-N 3.35Å; Q195-G198 VanDerWaalsContact O-N 3.14Å; Q195-R199 PolarHBondContact O-N 3.48Å
196A90.4Very high91.4Very high1 Ų173.7 Ų73.71%0.00840%0.398CS..Hα-helixtrans-51.6-51.7-175.400000112.6E188 Q189 D192 G198 R199 T200E188-A196 HydrophobicContact CB-CB 4.14Å; Q189-A196 HydrophobicContact CG-CB 4.07Å; D192-A196 VanDerWaalsContact O-CB 3.25Å; D192-A196 WeakPolarHBondContact O-CB 3.36Å; D192-A196 PolarHBondContact O-N 3.29Å; A196-G198 VanDerWaalsContact C-N 3.31Å; A196-G198 PolarHBondContact O-N 3.35Å; A196-R199 PolarHBondContact O-N 2.78Å; A196-T200 WeakPolarHBondContact O-CB 3.37Å; A196-T200 PolarHBondContact O-N 3.23Å; A196-T200 PolarHBondContact O-OG1 3.1Å; A196-T200 VanDerWaalsContact O-OG1 3.05Å
197N91Very high91.1Very high120 Ų12072.5 Ų72.564%0.64239%0.385SS*.Hα-helixtrans-60.4-40.2-178.1-70.3-18.7000112.4Q195 A201Q195-N197 PolarHBondContact O-N 2.8Å; N197-A201 WeakPolarHBondContact O-CB 3.31Å; N197-A201 PolarHBondContact O-N 3.16Å
198G91.4Very high91Very high51 Ų5176.1 Ų76.153%0.52641%0.405SS..Hα-helixtrans-66.5-44177.500000112.5Q195 A196 A202Q195-G198 PolarHBondContact O-N 3.35Å; Q195-G198 VanDerWaalsContact O-N 3.14Å; A196-G198 VanDerWaalsContact C-N 3.31Å; A196-G198 PolarHBondContact O-N 3.35Å; G198-A202 PolarHBondContact O-N 2.91Å; G198-A202 VanDerWaalsContact O-N 3.12Å
199R89.8Confident90.8Very high71 Ų7181.3 Ų81.327%0.26843%0.425SS..Hα-helixtrans-66.7-47.1177.9-67.8-177.9-172.8161.62.1111.8E188 Q195 A196 A201 A202 V203E188-R199 WeakPolarHBondContact OE2-CD 3.37Å; E188-R199 IonicContact OE2-CZ 2.81Å; E188-R199 IonicContact OE2-NH1 3.5Å; E188-R199 PolarHBondContact OE2-NH1 2.92Å; Q195-R199 PolarHBondContact O-N 3.48Å; A196-R199 PolarHBondContact O-N 2.78Å; R199-A201 VanDerWaalsContact C-N 3.33Å; R199-A201 PolarHBondContact O-N 3.47Å; R199-A202 PolarHBondContact O-N 3.38Å; R199-V203 WeakPolarHBondContact O-CG2 3.49Å; R199-V203 PolarHBondContact O-N 2.92Å; R199-V203 VanDerWaalsContact O-N 3.16Å
200T92.3Very high90.6Very high25 Ų2576.8 Ų76.815%0.15340%0.404CS..Hα-helixtrans-63.5-38.5177.9-57.10000111.5W181 C185 A196 V203 G204W181-T200 HydrophobicContact CH2-CG2 3.77Å; W181-T200 WeakPolarHBondContact CH2-O 3.42Å; W181-T200 HydrophobicContact CZ2-CG2 3.61Å; C185-T200 HydrophobicContact CB-CG2 4.5Å; C185-T200 WeakPolarHBondContact SG-CG2 3.3Å; A196-T200 WeakPolarHBondContact O-CB 3.37Å; A196-T200 PolarHBondContact O-N 3.23Å; A196-T200 PolarHBondContact O-OG1 3.1Å; A196-T200 VanDerWaalsContact O-OG1 3.05Å; T200-V203 PolarHBondContact O-N 2.82Å; T200-G204 WeakPolarHBondContact O-CA 3.24Å; T200-G204 PolarHBondContact O-N 3.01Å
201A91.6Very high90.6Very high66 Ų6670.8 Ų70.855%0.54538%0.379SS..Hα-helixtrans-63.9-41175.500000112.5N197 R199 V203 G204N197-A201 WeakPolarHBondContact O-CB 3.31Å; N197-A201 PolarHBondContact O-N 3.16Å; R199-A201 VanDerWaalsContact C-N 3.33Å; R199-A201 PolarHBondContact O-N 3.47Å; A201-V203 PolarHBondContact O-N 3.1Å; A201-G204 PolarHBondContact O-N 2.99Å
202A89.2Confident90.7Very high71 Ų7174.5 Ų74.559%0.58739%0.393SS*.Hα-helixtrans-63.4-40.9178.100000112.6G198 R199G198-A202 PolarHBondContact O-N 2.91Å; G198-A202 VanDerWaalsContact O-N 3.12Å; R199-A202 PolarHBondContact O-N 3.38Å
203V90Very high90.8Very high21 Ų2173 Ų7313%0.12739%0.385CS..Hα-helixtrans-79.9-27178.3-173.80000111.7L167 I170 W181 Y184 R199 T200 A201 Q205 V206 Y207L167-V203 HydrophobicContact CD2-CB 4.45Å; L167-V203 HydrophobicContact CD2-CG1 3.92Å; L167-V203 HydrophobicContact CD2-CG2 3.59Å; I170-V203 HydrophobicContact CD1-CG1 4.3Å; I170-V203 HydrophobicContact CG2-CG1 3.83Å; W181-V203 HydrophobicContact CH2-CB 4.27Å; W181-V203 HydrophobicContact CH2-CG1 4.41Å; W181-V203 HydrophobicContact CZ3-CB 4.12Å; W181-V203 HydrophobicContact CZ3-CG1 3.79Å; Y184-V203 HydrophobicContact CE1-CB 4.23Å; Y184-V203 HydrophobicContact CE1-CG1 4.35Å; Y184-V203 HydrophobicContact CE1-CG2 4.22Å; R199-V203 WeakPolarHBondContact O-CG2 3.49Å; R199-V203 PolarHBondContact O-N 2.92Å; R199-V203 VanDerWaalsContact O-N 3.16Å; T200-V203 PolarHBondContact O-N 2.82Å; A201-V203 PolarHBondContact O-N 3.1Å; V203-Q205 VanDerWaalsContact C-N 3.29Å; V203-Q205 PolarHBondContact O-N 3.09Å; V203-V206 PolarHBondContact O-N 3.34Å; V203-Y207 PolarHBondContact O-N 2.9Å
204G90.5Very high90.9Very high13 Ų1367.9 Ų67.913%0.13435%0.354CS..Hα-helixtrans-57.9-35.9-17400000114.3W181 T200 A201 Y207 L208W181-G204 VanDerWaalsContact CH2-CA 3.45Å; T200-G204 WeakPolarHBondContact O-CA 3.24Å; T200-G204 PolarHBondContact O-N 3.01Å; A201-G204 PolarHBondContact O-N 2.99Å; G204-Y207 PolarHBondContact O-N 3.17Å; G204-L208 WeakPolarHBondContact O-CG 3.36Å; G204-L208 PolarHBondContact O-N 2.98Å
205Q86.3Confident91Very high161 Ų16162.6 Ų62.675%0.75234%0.341SS*.Hα-helixtrans-64.1-42.8176.3-66.5-175.9-5.700112.1V203 R209V203-Q205 VanDerWaalsContact C-N 3.29Å; V203-Q205 PolarHBondContact O-N 3.09Å; Q205-R209 PolarHBondContact O-N 3.02Å
206V87.3Confident91.1Very high51 Ų5162.3 Ų62.331%0.30934%0.339SS..Hα-helixtrans-69.4-42.7178-174.50000110.2N171 V203 L208 R209 I210N171-V206 WeakPolarHBondContact OD1-CG1 3.44Å; V203-V206 PolarHBondContact O-N 3.34Å; V206-L208 PolarHBondContact O-N 3.16Å; V206-R209 WeakPolarHBondContact O-CB 3.23Å; V206-R209 PolarHBondContact O-N 2.88Å; V206-I210 HydrophobicContact CG1-CG1 4.2Å; V206-I210 WeakPolarHBondContact O-CG1 3.46Å; V206-I210 PolarHBondContact O-N 2.92Å
207Y90.9Very high91.3Very high16 Ų1662.5 Ų62.56%0.06334%0.34CS..Hα-helixtrans-54.1-47.5175.1164.1-106000112.5I170 H177 W181 V203 G204 R209 I210 Q211I170-Y207 HydrophobicContact CG2-CD2 4.33Å; H177-Y207 AromaticContact CD2-CD2 3.67Å; H177-Y207 AromaticContact CD2-CE2 3.41Å; H177-Y207 VanDerWaalsContact CD2-CE2 3.41Å; H177-Y207 WeakPolarHBondContact CD2-CE2 3.48Å; H177-Y207 AromaticContact NE2-CD2 3.43Å; H177-Y207 WeakPolarHBondContact NE2-CD2 3.27Å; H177-Y207 AromaticContact NE2-CE2 3.7Å; W181-Y207 HydrophobicContact CB-CD2 3.83Å; W181-Y207 HydrophobicContact CB-CE1 4.3Å; W181-Y207 HydrophobicContact CB-CE2 3.32Å; W181-Y207 HydrophobicContact CB-CG 4.5Å; W181-Y207 AromaticContact CD1-CE1 3.51Å; W181-Y207 AromaticContact CD1-CZ 3.57Å; W181-Y207 AromaticContact CD2-CD1 3.62Å; W181-Y207 HydrophobicContact CD2-CD1 3.62Å; W181-Y207 AromaticContact CD2-CD2 3.74Å; W181-Y207 HydrophobicContact CD2-CD2 3.74Å; W181-Y207 AromaticContact CD2-CE1 3.88Å; W181-Y207 HydrophobicContact CD2-CE1 3.88Å; W181-Y207 AromaticContact CD2-CE2 3.99Å; W181-Y207 HydrophobicContact CD2-CE2 3.99Å; W181-Y207 AromaticContact CD2-CG 3.54Å; W181-Y207 HydrophobicContact CD2-CG 3.54Å; W181-Y207 AromaticContact CE2-CD1 3.63Å; W181-Y207 AromaticContact CE2-CE1 3.93Å; W181-Y207 AromaticContact CE2-CG 3.99Å; W181-Y207 HydrophobicContact CE3-CD1 4.07Å; W181-Y207 AromaticContact CE3-CD2 3.71Å; W181-Y207 HydrophobicContact CE3-CD2 3.71Å; W181-Y207 HydrophobicContact CE3-CE2 4.37Å; W181-Y207 AromaticContact CE3-CG 3.53Å; W181-Y207 HydrophobicContact CE3-CG 3.53Å; W181-Y207 AromaticContact CG-CD1 3.92Å; W181-Y207 HydrophobicContact CG-CD1 3.92Å; W181-Y207 AromaticContact CG-CD2 3.81Å; W181-Y207 HydrophobicContact CG-CD2 3.81Å; W181-Y207 AromaticContact CG-CE1 3.64Å; W181-Y207 HydrophobicContact CG-CE1 3.64Å; W181-Y207 AromaticContact CG-CE2 3.53Å; W181-Y207 HydrophobicContact CG-CE2 3.53Å; W181-Y207 AromaticContact CG-CG 3.98Å; W181-Y207 HydrophobicContact CG-CG 3.98Å; W181-Y207 AromaticContact CG-CZ 3.43Å; W181-Y207 VanDerWaalsContact CG-CZ 3.43Å; W181-Y207 HydrophobicContact CH2-CG 4.42Å; W181-Y207 HydrophobicContact CZ2-CD1 4.11Å; W181-Y207 HydrophobicContact CZ2-CG 4.41Å; W181-Y207 HydrophobicContact CZ3-CG 4Å; W181-Y207 AromaticContact NE1-CD1 3.87Å; W181-Y207 AromaticContact NE1-CE1 3.67Å; V203-Y207 PolarHBondContact O-N 2.9Å; G204-Y207 PolarHBondContact O-N 3.17Å; Y207-R209 VanDerWaalsContact C-N 3.28Å; Y207-R209 PolarHBondContact O-N 2.96Å; Y207-I210 PolarHBondContact O-N 2.8Å; Y207-Q211 HydrophobicContact CE2-CB 4.32Å; Y207-Q211 VanDerWaalsContact O-CB 3.23Å; Y207-Q211 WeakPolarHBondContact O-CB 3.44Å; Y207-Q211 PolarHBondContact O-N 3.45Å; Y207-Q211 PolarHBondContact OH-OE1 2.91Å
208L92.1Very high91.4Very high101 Ų10159.5 Ų59.553%0.52932%0.324SS..Hα-helixtrans-60.9-38.4-179.8-72172.7000112.3G204 V206 Q212G204-L208 WeakPolarHBondContact O-CG 3.36Å; G204-L208 PolarHBondContact O-N 2.98Å; V206-L208 PolarHBondContact O-N 3.16Å; L208-Q212 WeakPolarHBondContact O-CG 3.42Å; L208-Q212 PolarHBondContact O-N 3.07Å
209R89.9Confident91.5Very high108 Ų10859.8 Ų59.841%0.40832%0.322SS..Hα-helixtrans-65.2-50174.8-177-178.2176.8-163.4-5.9111.4Q205 V206 Y207 Q211 Q212 L213 L258 Q259Q205-R209 PolarHBondContact O-N 3.02Å; V206-R209 WeakPolarHBondContact O-CB 3.23Å; V206-R209 PolarHBondContact O-N 2.88Å; Y207-R209 VanDerWaalsContact C-N 3.28Å; Y207-R209 PolarHBondContact O-N 2.96Å; R209-Q211 VanDerWaalsContact C-N 3.27Å; R209-Q211 PolarHBondContact O-N 3.42Å; R209-Q212 WeakPolarHBondContact O-CB 3.49Å; R209-Q212 PolarHBondContact O-N 3.3Å; R209-L213 PolarHBondContact O-N 2.96Å; R209-L258 PolarHBondContact NH2-O 3.49Å; R209-Q259 VanDerWaalsContact NH2-OE1 3.16Å
210I90.8Very high91.7Very high9 Ų957.6 Ų57.65%0.04632%0.316CS..Hα-helixtrans-66.5-31.4179.9-59.8-61.7000111.7I170 P173 V206 Y207 L213 S214 L258I170-I210 WeakPolarHBondContact O-CG2 3.29Å; P173-I210 HydrophobicContact CG-CG2 4.2Å; V206-I210 HydrophobicContact CG1-CG1 4.2Å; V206-I210 WeakPolarHBondContact O-CG1 3.46Å; V206-I210 PolarHBondContact O-N 2.92Å; Y207-I210 PolarHBondContact O-N 2.8Å; I210-L213 HydrophobicContact CD1-CD1 4.25Å; I210-L213 PolarHBondContact O-N 3.19Å; I210-S214 WeakPolarHBondContact O-CB 3.12Å; I210-S214 PolarHBondContact O-N 3.05Å; I210-S214 PolarHBondContact O-OG 2.91Å; I210-L258 HydrophobicContact CD1-CD2 3.46Å; I210-L258 VanDerWaalsContact CD1-CD2 3.46Å
211Q93.7Very high91.7Very high58 Ų5856.9 Ų56.927%0.27131%0.311SS..Hα-helixtrans-62.2-43.6173.9-176.5-179.814.400111.4Y207 R209 L213 S214 M215Y207-Q211 HydrophobicContact CE2-CB 4.32Å; Y207-Q211 VanDerWaalsContact O-CB 3.23Å; Y207-Q211 WeakPolarHBondContact O-CB 3.44Å; Y207-Q211 PolarHBondContact O-N 3.45Å; Y207-Q211 PolarHBondContact OH-OE1 2.91Å; R209-Q211 VanDerWaalsContact C-N 3.27Å; R209-Q211 PolarHBondContact O-N 3.42Å; Q211-L213 VanDerWaalsContact C-N 3.34Å; Q211-L213 PolarHBondContact O-N 2.93Å; Q211-S214 PolarHBondContact O-N 2.76Å; Q211-M215 WeakPolarHBondContact O-CG 3.46Å; Q211-M215 PolarHBondContact O-N 3.29Å
212Q92.7Very high91.7Very high127 Ų12758.6 Ų58.659%0.59332%0.318SS*.Hα-helixtrans-61.6-42.9174.7-70.7175.9-10.200111.5L208 R209 M215 Q216L208-Q212 WeakPolarHBondContact O-CG 3.42Å; L208-Q212 PolarHBondContact O-N 3.07Å; R209-Q212 WeakPolarHBondContact O-CB 3.49Å; R209-Q212 PolarHBondContact O-N 3.3Å; Q212-M215 PolarHBondContact O-N 3.5Å; Q212-Q216 WeakPolarHBondContact O-CG 3.3Å; Q212-Q216 PolarHBondContact O-N 3.01Å; Q212-Q216 VanDerWaalsContact O-N 3.1Å
213L92.5Very high91.9Very high14 Ų1460.3 Ų60.37%0.07331%0.312CS..Hα-helixtrans-65.5-37.8176.1-62.9-178.8000112.4P173 R209 I210 Q211 M215 Q216 M217 P257 L258P173-L213 HydrophobicContact CB-CB 4.44Å; P173-L213 HydrophobicContact CG-CB 4.12Å; R209-L213 PolarHBondContact O-N 2.96Å; I210-L213 HydrophobicContact CD1-CD1 4.25Å; I210-L213 PolarHBondContact O-N 3.19Å; Q211-L213 VanDerWaalsContact C-N 3.34Å; Q211-L213 PolarHBondContact O-N 2.93Å; L213-M215 VanDerWaalsContact C-N 3.31Å; L213-M215 PolarHBondContact O-N 3.33Å; L213-Q216 PolarHBondContact O-N 2.89Å; L213-M217 WeakPolarHBondContact O-CB 3.37Å; L213-M217 PolarHBondContact O-N 3.32Å; L213-P257 WeakPolarHBondContact CD1-O 3.39Å; L213-P257 HydrophobicContact CD2-CB 4.04Å; L213-P257 WeakPolarHBondContact CD2-O 3.44Å; L213-L258 HydrophobicContact CD1-CD2 3.62Å; L213-L258 HydrophobicContact CD1-CG 4.23Å
214S93.5Very high92.2Very high4 Ų460 Ų603%0.02831%0.31CS..Hα-helixtrans-62-40.6174.9-56.20000110.8P173 M174 I210 Q211 Q216 M217 D218P173-S214 WeakPolarHBondContact CA-OG 3.31Å; M174-S214 PolarHBondContact N-OG 3.5Å; I210-S214 WeakPolarHBondContact O-CB 3.12Å; I210-S214 PolarHBondContact O-N 3.05Å; I210-S214 PolarHBondContact O-OG 2.91Å; Q211-S214 PolarHBondContact O-N 2.76Å; S214-Q216 PolarHBondContact O-N 3Å; S214-M217 PolarHBondContact O-N 3.18Å; S214-D218 WeakPolarHBondContact O-CB 3.36Å; S214-D218 PolarHBondContact O-N 3.29Å; S214-D218 VanDerWaalsContact O-OD1 3.06Å
215M93.8Very high92.3Very high124 Ų12462.2 Ų62.261%0.61132%0.318SS*.Hα-helixtrans-65.1-37.6175.6-68.9175.164.400112.7Q211 Q212 L213 A219Q211-M215 WeakPolarHBondContact O-CG 3.46Å; Q211-M215 PolarHBondContact O-N 3.29Å; Q212-M215 PolarHBondContact O-N 3.5Å; L213-M215 VanDerWaalsContact C-N 3.31Å; L213-M215 PolarHBondContact O-N 3.33Å; M215-A219 PolarHBondContact O-N 3.35Å; M215-A219 VanDerWaalsContact O-N 3.17Å
216Q93.9Very high92.5Very high96 Ų9657 Ų5745%0.44929%0.292SS..Hα-helixtrans-66.9-46174.3-68.3176.46.300111.3Q212 L213 S214 D218 A219 V220 W252Q212-Q216 WeakPolarHBondContact O-CG 3.3Å; Q212-Q216 PolarHBondContact O-N 3.01Å; Q212-Q216 VanDerWaalsContact O-N 3.1Å; L213-Q216 PolarHBondContact O-N 2.89Å; S214-Q216 PolarHBondContact O-N 3Å; Q216-D218 VanDerWaalsContact C-N 3.34Å; Q216-D218 PolarHBondContact O-N 3.41Å; Q216-A219 WeakPolarHBondContact O-CB 3.47Å; Q216-A219 PolarHBondContact O-N 2.97Å; Q216-A219 VanDerWaalsContact O-N 3.16Å; Q216-V220 PolarHBondContact O-N 2.98Å; Q216-W252 HydrophobicContact CB-CZ2 4.16Å
217M93.3Very high92.6Very high5 Ų562.5 Ų62.53%0.02531%0.312CS..Hα-helixtrans-57.8-47.1175.8-166.4-169.9-165.800110.9H131 P173 L213 S214 A219 V220 M221 F249 W252H131-M217 HydrophobicContact CB-CE 3.85Å; H131-M217 HydrophobicContact CB-SD 4.14Å; P173-M217 HydrophobicContact CB-SD 4.16Å; L213-M217 WeakPolarHBondContact O-CB 3.37Å; L213-M217 PolarHBondContact O-N 3.32Å; S214-M217 PolarHBondContact O-N 3.18Å; M217-A219 VanDerWaalsContact C-N 3.27Å; M217-A219 PolarHBondContact O-N 3.42Å; M217-V220 PolarHBondContact O-N 3Å; M217-M221 HydrophobicContact CG-CG 4.04Å; M217-M221 VanDerWaalsContact O-CB 3.3Å; M217-M221 WeakPolarHBondContact O-CB 3.41Å; M217-M221 WeakPolarHBondContact O-CG 3.44Å; M217-M221 PolarHBondContact O-N 2.95Å; M217-F249 HydrophobicContact CE-CE2 3.86Å; M217-F249 HydrophobicContact CE-CZ 3.85Å; M217-F249 HydrophobicContact CG-CE2 4.19Å; M217-W252 HydrophobicContact CB-CH2 3.65Å; M217-W252 HydrophobicContact CB-CZ2 4.15Å; M217-W252 HydrophobicContact CB-CZ3 3.99Å; M217-W252 HydrophobicContact CG-CH2 3.95Å; M217-W252 HydrophobicContact CG-CZ3 3.8Å
218D93.2Very high92.5Very high57 Ų5763.7 Ų63.731%0.30532%0.316SS..Hα-helixtrans-57.2-39.2177.2-71.65.5000111.7H131 S214 Q216 V220 C222H131-D218 IonicContact CE1-OD1 3.33Å; H131-D218 PolarHBondContact CE1-OD1 3.2Å; H131-D218 IonicContact ND1-OD1 3.59Å; H131-D218 PolarHBondContact ND1-OD1 3.06Å; H131-D218 VanDerWaalsContact ND1-OD1 3.12Å; S214-D218 WeakPolarHBondContact O-CB 3.36Å; S214-D218 PolarHBondContact O-N 3.29Å; S214-D218 VanDerWaalsContact O-OD1 3.06Å; Q216-D218 VanDerWaalsContact C-N 3.34Å; Q216-D218 PolarHBondContact O-N 3.41Å; D218-V220 PolarHBondContact O-N 3.39Å; D218-C222 VanDerWaalsContact O-CB 3.29Å; D218-C222 WeakPolarHBondContact O-CB 3.49Å; D218-C222 PolarHBondContact O-N 3.3Å
219A93.8Very high92.6Very high58 Ų5859.4 Ų59.448%0.47929%0.294SS..Hα-helixtrans-69.2-29.4-179.500000113.8M215 Q216 M217 C222M215-A219 PolarHBondContact O-N 3.35Å; M215-A219 VanDerWaalsContact O-N 3.17Å; Q216-A219 WeakPolarHBondContact O-CB 3.47Å; Q216-A219 PolarHBondContact O-N 2.97Å; Q216-A219 VanDerWaalsContact O-N 3.16Å; M217-A219 VanDerWaalsContact C-N 3.27Å; M217-A219 PolarHBondContact O-N 3.42Å; A219-C222 PolarHBondContact O-SG 3.46Å
220V93.7Very high92.7Very high24 Ų2454.3 Ų54.315%0.14528%0.275CS..Hα-helixtrans-84.4-44.5174.3-170.90000110.2Q216 M217 D218 C222 K223 E248 F249 W252Q216-V220 PolarHBondContact O-N 2.98Å; M217-V220 PolarHBondContact O-N 3Å; D218-V220 PolarHBondContact O-N 3.39Å; V220-C222 VanDerWaalsContact C-N 3.28Å; V220-C222 PolarHBondContact O-N 3.26Å; V220-K223 PolarHBondContact O-N 3.28Å; V220-E248 HydrophobicContact CG1-CB 4.09Å; V220-F249 HydrophobicContact CG1-CB 3.78Å; V220-F249 HydrophobicContact CG1-CD2 4.49Å; V220-W252 HydrophobicContact CG2-CG 4.49Å
221M93Very high92.8Very high11 Ų1154.7 Ų54.75%0.05428%0.278CS..Hα-helixtrans-65.5-25.8-179-69-59.7-67.100113.5H131 M217 K223 I224 R226 F249H131-M221 HydrophobicContact CB-CE 4.28Å; H131-M221 HydrophobicContact CB-CG 4.33Å; M217-M221 HydrophobicContact CG-CG 4.04Å; M217-M221 VanDerWaalsContact O-CB 3.3Å; M217-M221 WeakPolarHBondContact O-CB 3.41Å; M217-M221 WeakPolarHBondContact O-CG 3.44Å; M217-M221 PolarHBondContact O-N 2.95Å; M221-K223 PolarHBondContact O-N 3.4Å; M221-I224 PolarHBondContact O-N 3.39Å; M221-I224 VanDerWaalsContact O-N 3.13Å; M221-I224 HydrophobicContact SD-CD1 3.95Å; M221-R226 HydrophobicContact CE-CG 4.37Å; M221-F249 HydrophobicContact CG-CD2 4.21Å; M221-F249 HydrophobicContact CG-CE2 4.17Å; M221-F249 HydrophobicContact SD-CB 4.46Å; M221-F249 HydrophobicContact SD-CD1 3.78Å; M221-F249 HydrophobicContact SD-CD2 3.52Å; M221-F249 VanDerWaalsContact SD-CD2 3.52Å; M221-F249 HydrophobicContact SD-CE1 3.82Å; M221-F249 HydrophobicContact SD-CE2 3.59Å; M221-F249 VanDerWaalsContact SD-CE2 3.59Å; M221-F249 HydrophobicContact SD-CG 3.63Å; M221-F249 HydrophobicContact SD-CZ 3.74Å
222C92.5Very high92.7Very high101 Ų10154.3 Ų54.368%0.68228%0.28SS*.THydrogen-bonded Turntrans-66.4-18179.772.60000114D218 A219 V220 I224D218-C222 VanDerWaalsContact O-CB 3.29Å; D218-C222 WeakPolarHBondContact O-CB 3.49Å; D218-C222 PolarHBondContact O-N 3.3Å; A219-C222 PolarHBondContact O-SG 3.46Å; V220-C222 VanDerWaalsContact C-N 3.28Å; V220-C222 PolarHBondContact O-N 3.26Å; C222-I224 VanDerWaalsContact C-N 3.35Å
223K92.7Very high92.5Very high107 Ų10752.1 Ų52.147%0.46528%0.278SS..THydrogen-bonded Turntrans-83.8-12.3176.7-56.5-178.8-169.8173.50113V220 M221 Q242 A245 E248V220-K223 PolarHBondContact O-N 3.28Å; M221-K223 PolarHBondContact O-N 3.4Å; K223-Q242 PolarHBondContact O-NE2 3.49Å; K223-A245 HydrophobicContact CB-CB 4.01Å; K223-E248 IonicContact NZ-OE1 3.54Å; K223-E248 IonicContact NZ-OE2 3.25Å; K223-E248 PolarHBondContact NZ-OE2 3.14Å
224I95.1Very high92.3Very high16 Ų1655.6 Ų55.68%0.08230%0.3CS..  trans-99.8126.1-168.9-65.1175000110.8M221 C222 R226 A245 W246 F249M221-I224 PolarHBondContact O-N 3.39Å; M221-I224 VanDerWaalsContact O-N 3.13Å; M221-I224 HydrophobicContact SD-CD1 3.95Å; C222-I224 VanDerWaalsContact C-N 3.35Å; I224-R226 HydrophobicContact CG2-CG 4Å; I224-R226 PolarHBondContact O-N 2.84Å; I224-A245 HydrophobicContact CG1-CB 3.81Å; I224-W246 HydrophobicContact CD1-CD2 4.04Å; I224-W246 HydrophobicContact CD1-CE3 3.97Å; I224-W246 HydrophobicContact CD1-CG 4.45Å; I224-W246 HydrophobicContact CD1-CZ3 4.34Å; I224-W246 HydrophobicContact CG2-CD2 3.91Å; I224-W246 HydrophobicContact CG2-CE3 4.4Å; I224-W246 HydrophobicContact CG2-CH2 3.78Å; I224-W246 HydrophobicContact CG2-CZ2 3.21Å; I224-W246 HydrophobicContact CG2-CZ3 4.34Å; I224-F249 HydrophobicContact CD1-CB 3.72Å; I224-F249 HydrophobicContact CD1-CD1 4.49Å; I224-F249 HydrophobicContact CD1-CG 4.24Å
225D92.5Very high92Very high59 Ų5961.3 Ų61.332%0.31633%0.33SS..  trans-86.493.1168.2-176.511.5000111K227 R228D225-K227 PolarHBondContact O-N 3.29Å; D225-K227 WeakPolarHBondContact OD1-CB 3.44Å; D225-K227 PolarHBondContact OD1-N 3.28Å; D225-R228 WeakPolarHBondContact O-CB 3.41Å; D225-R228 PolarHBondContact O-N 2.99Å
226R91Very high91.9Very high51 Ų5157.7 Ų57.719%0.19232%0.317CS..THydrogen-bonded Turntrans-70.4-10.7177.2-59.5-177.462.9-172.3-1.9114.4D130 M221 I224 W246D130-R226 VanDerWaalsContact CG-NH2 3.31Å; D130-R226 IonicContact OD1-CZ 2.92Å; D130-R226 IonicContact OD1-NH1 2.8Å; D130-R226 PolarHBondContact OD1-NH1 2.92Å; D130-R226 IonicContact OD1-NH2 3.12Å; D130-R226 PolarHBondContact OD1-NH2 3.43Å; D130-R226 IonicContact OD2-CZ 3.74Å; D130-R226 IonicContact OD2-NH1 3.12Å; D130-R226 PolarHBondContact OD2-NH1 3.19Å; D130-R226 IonicContact OD2-NH2 2.86Å; D130-R226 PolarHBondContact OD2-NH2 2.99Å; M221-R226 HydrophobicContact CE-CG 4.37Å; I224-R226 HydrophobicContact CG2-CG 4Å; I224-R226 PolarHBondContact O-N 2.84Å; R226-W246 HydrophobicContact CG-CH2 4.48Å
227K89Confident91.8Very high167 Ų16756.6 Ų56.673%0.72632%0.324SS*.THydrogen-bonded Turntrans-93-3.1-179.7-64.7-179.1-180176.30112.5D225 V229D225-K227 PolarHBondContact O-N 3.29Å; D225-K227 WeakPolarHBondContact OD1-CB 3.44Å; D225-K227 PolarHBondContact OD1-N 3.28Å; K227-V229 PolarHBondContact O-N 3.06Å
228R90.8Very high91.8Very high40 Ų4061 Ų6115%0.15134%0.344CS..PPolyproline II helixtrans-58130.8177.6-175.3-179.3-179.5101.13.6110.6D225 F238 C299D225-R228 WeakPolarHBondContact O-CB 3.41Å; D225-R228 PolarHBondContact O-N 2.99Å; R228-F238 VanDerWaalsContact NH1-CD1 3.28Å; R228-F238 VanDerWaalsContact NH1-CE1 3.3Å; R228-C299 HydrophobicContact CB-CB 4.36Å
229V92.5Very high91.8Very high12 Ų1258.5 Ų58.57%0.07333%0.33CS..PPolyproline II helixtrans-84.2134.6173-177.80000108.8I21 F50 Y56 K227 V231I21-V229 HydrophobicContact CD1-CB 4.19Å; I21-V229 HydrophobicContact CG1-CB 4.49Å; I21-V229 HydrophobicContact CG2-CG2 4.47Å; F50-V229 HydrophobicContact CD1-CG1 3.35Å; F50-V229 HydrophobicContact CE1-CG1 3.55Å; F50-V229 HydrophobicContact CG-CG1 3.97Å; F50-V229 HydrophobicContact CZ-CG1 4.32Å; Y56-V229 HydrophobicContact CE2-CG1 3.97Å; Y56-V229 HydrophobicContact CE2-CG2 4.16Å; K227-V229 PolarHBondContact O-N 3.06Å; V229-V231 PolarHBondContact O-N 3.42Å
230S93Very high91.8Very high1 Ų158.9 Ų58.91%0.00732%0.324CS..PPolyproline II helixtrans-67.8126177-172.50000111.7F50 C299 S301 F302F50-S230 WeakPolarHBondContact CD1-O 3.39Å; S230-C299 VanDerWaalsContact CA-O 3.31Å; S230-C299 WeakPolarHBondContact CA-O 3.26Å; S230-S301 VanDerWaalsContact CB-OG 3.31Å; S230-S301 WeakPolarHBondContact CB-OG 3.48Å; S230-S301 PolarHBondContact OG-N 3.36Å; S230-S301 PolarHBondContact OG-OG 2.84Å; S230-F302 WeakPolarHBondContact OG-CD2 3.49Å
231V92.1Very high91.9Very high17 Ų1763.5 Ų63.510%0.10334%0.344CS..  trans-136.7155.3178.4-67.90000109.9I21 F50 V229I21-V231 HydrophobicContact CD1-CG1 3.82Å; I21-V231 HydrophobicContact CG1-CG1 3.98Å; F50-V231 HydrophobicContact CE1-CG1 4.18Å; V229-V231 PolarHBondContact O-N 3.42Å
232P91.3Very high92Very high49 Ų4963.6 Ų63.632%0.31834%0.344SS..SBendtrans-53.6150.2173.6-2635000112.6Y19 T234 F302Y19-P232 HydrophobicContact CD1-CG 4.38Å; Y19-P232 HydrophobicContact CD2-CG 3.71Å; Y19-P232 HydrophobicContact CE1-CG 4.35Å; Y19-P232 HydrophobicContact CE2-CG 3.65Å; Y19-P232 HydrophobicContact CG-CG 4.08Å; P232-T234 WeakPolarHBondContact O-CG2 3.39Å; P232-T234 PolarHBondContact O-N 3.19Å; P232-F302 HydrophobicContact CG-CD1 4.18Å; P232-F302 HydrophobicContact CG-CD2 4.43Å; P232-F302 HydrophobicContact CG-CE1 4.28Å; P232-F302 HydrophobicContact CG-CG 4.27Å; P232-F302 HydrophobicContact CG-CZ 4.45Å
233C89.5Confident92.1Very high81 Ų8159.4 Ų59.455%0.54732%0.315SS..  trans-53.9121.9-174.3-52.10000112.1H303C233-H303 PolarHBondContact SG-NE2 3.39Å
234T87.7Confident92.3Very high88 Ų8859 Ų5954%0.5432%0.317SS..  trans-101.6-13.5176.367.80000112.5P232 S236 E239P232-T234 WeakPolarHBondContact O-CG2 3.39Å; P232-T234 PolarHBondContact O-N 3.19Å; T234-S236 PolarHBondContact O-N 2.9Å; T234-S236 PolarHBondContact OG1-OG 2.93Å; T234-E239 WeakPolarHBondContact CA-OE2 3.32Å; T234-E239 WeakPolarHBondContact CB-OE2 3.37Å; T234-E239 PolarHBondContact N-OE2 3.45Å; T234-E239 PolarHBondContact OG1-OE2 3.48Å
235N86.8Confident92.4Very high124 Ų12458.5 Ų58.566%0.66332%0.315SS*.  trans53.233-173.9-163.624.2000113.1E239 N240N235-E239 PolarHBondContact N-OE2 2.71Å; N235-N240 PolarHBondContact OD1-ND2 3.19Å; N235-N240 VanDerWaalsContact OD1-ND2 3.12Å
236S91.5Very high92.6Very high47 Ų4755.8 Ų55.833%0.32930%0.3SS..  trans-75.7152.5174.8610000111.1T234 F238 E239 N240T234-S236 PolarHBondContact O-N 2.9Å; T234-S236 PolarHBondContact OG1-OG 2.93Å; S236-F238 VanDerWaalsContact C-N 3.29Å; S236-F238 PolarHBondContact O-N 3.13Å; S236-E239 WeakPolarHBondContact O-CB 3.46Å; S236-E239 PolarHBondContact O-N 3.4Å; S236-E239 VanDerWaalsContact O-N 3.11Å; S236-E239 VanDerWaalsContact OG-CB 3.26Å; S236-E239 WeakPolarHBondContact OG-CB 3.27Å; S236-E239 PolarHBondContact OG-N 3.44Å; S236-N240 PolarHBondContact O-N 2.67Å; S236-N240 VanDerWaalsContact O-N 3.09Å
237A93.1Very high92.9Very high73 Ų7357.7 Ų57.760%0.60331%0.308SS*.Hα-helixtrans-56.8-43.5178.800000112.1E239 N240 E241A237-E239 VanDerWaalsContact C-N 3.35Å; A237-E239 PolarHBondContact O-N 2.88Å; A237-N240 PolarHBondContact O-N 2.68Å; A237-E241 WeakPolarHBondContact O-CG 3.42Å; A237-E241 PolarHBondContact O-N 3.31Å
238F92.5Very high93.2Very high99 Ų9953.5 Ų53.543%0.43429%0.291SS..Hα-helixtrans-64.1-36.2177.1-179.6-109.4000112.9R228 S236 Q242R228-F238 VanDerWaalsContact NH1-CD1 3.28Å; R228-F238 VanDerWaalsContact NH1-CE1 3.3Å; S236-F238 VanDerWaalsContact C-N 3.29Å; S236-F238 PolarHBondContact O-N 3.13Å; F238-Q242 HydrophobicContact CE1-CG 4.13Å; F238-Q242 HydrophobicContact CE2-CG 4.13Å; F238-Q242 HydrophobicContact CZ-CG 3.91Å; F238-Q242 WeakPolarHBondContact O-CG 2.87Å; F238-Q242 PolarHBondContact O-N 3.3Å; F238-Q242 VanDerWaalsContact O-N 3.08Å
239E93.4Very high93.4Very high3 Ų351.9 Ų51.91%0.01429%0.285CS..Hα-helixtrans-62-46.9173.3-177-176.414800111.1T234 N235 S236 A237 Q242 I243 F300 H303T234-E239 WeakPolarHBondContact CA-OE2 3.32Å; T234-E239 WeakPolarHBondContact CB-OE2 3.37Å; T234-E239 PolarHBondContact N-OE2 3.45Å; T234-E239 PolarHBondContact OG1-OE2 3.48Å; N235-E239 PolarHBondContact N-OE2 2.71Å; S236-E239 WeakPolarHBondContact O-CB 3.46Å; S236-E239 PolarHBondContact O-N 3.4Å; S236-E239 VanDerWaalsContact O-N 3.11Å; S236-E239 VanDerWaalsContact OG-CB 3.26Å; S236-E239 WeakPolarHBondContact OG-CB 3.27Å; S236-E239 PolarHBondContact OG-N 3.44Å; A237-E239 VanDerWaalsContact C-N 3.35Å; A237-E239 PolarHBondContact O-N 2.88Å; E239-Q242 PolarHBondContact O-N 3.03Å; E239-I243 HydrophobicContact CG-CD1 4.09Å; E239-I243 VanDerWaalsContact O-CG1 3.32Å; E239-I243 WeakPolarHBondContact O-CG1 3.27Å; E239-I243 PolarHBondContact O-N 3.28Å; E239-F300 HydrophobicContact CG-CE1 4Å; E239-H303 IonicContact OE1-CD2 3.21Å; E239-H303 IonicContact OE1-CE1 3.61Å; E239-H303 PolarHBondContact OE1-CE1 3.3Å; E239-H303 IonicContact OE1-NE2 3.55Å; E239-H303 PolarHBondContact OE1-NE2 3.02Å
240N94Very high93.5Very high66 Ų6651.5 Ų51.535%0.35328%0.282SS..Hα-helixtrans-64.8-40.2179-69.5-30.2000112.4N235 S236 A237 Q242 I243 I244N235-N240 PolarHBondContact OD1-ND2 3.19Å; N235-N240 VanDerWaalsContact OD1-ND2 3.12Å; S236-N240 PolarHBondContact O-N 2.67Å; S236-N240 VanDerWaalsContact O-N 3.09Å; A237-N240 PolarHBondContact O-N 2.68Å; N240-Q242 VanDerWaalsContact C-N 3.33Å; N240-Q242 PolarHBondContact O-N 3.05Å; N240-I243 PolarHBondContact O-N 3.19Å; N240-I244 VanDerWaalsContact O-CG1 3.32Å; N240-I244 WeakPolarHBondContact O-CG1 3.27Å; N240-I244 PolarHBondContact O-N 2.84Å
241E95.5Very high93.6Very high122 Ų12254 Ų5457%0.5730%0.303SS*.Hα-helixtrans-59.1-43.1173-74.9173.7-173.600112A237 I244 A245A237-E241 WeakPolarHBondContact O-CG 3.42Å; A237-E241 PolarHBondContact O-N 3.31Å; E241-I244 PolarHBondContact O-N 2.91Å; E241-A245 PolarHBondContact O-N 3.11Å
242Q95.8Very high93.7Very high13 Ų1354.6 Ų54.66%0.06130%0.304CS..Hα-helixtrans-68.3-39177.3-72.3-61.9-56.900112.4K223 F238 E239 N240 I244 A245 W246 F300K223-Q242 PolarHBondContact O-NE2 3.49Å; F238-Q242 HydrophobicContact CE1-CG 4.13Å; F238-Q242 HydrophobicContact CE2-CG 4.13Å; F238-Q242 HydrophobicContact CZ-CG 3.91Å; F238-Q242 WeakPolarHBondContact O-CG 2.87Å; F238-Q242 PolarHBondContact O-N 3.3Å; F238-Q242 VanDerWaalsContact O-N 3.08Å; E239-Q242 PolarHBondContact O-N 3.03Å; N240-Q242 VanDerWaalsContact C-N 3.33Å; N240-Q242 PolarHBondContact O-N 3.05Å; Q242-I244 VanDerWaalsContact C-N 3.32Å; Q242-I244 PolarHBondContact O-N 2.91Å; Q242-A245 PolarHBondContact O-N 3.47Å; Q242-W246 PolarHBondContact O-N 3.31Å; Q242-F300 HydrophobicContact CB-CE2 4.21Å; Q242-F300 HydrophobicContact CB-CZ 3.66Å
243I95.1Very high93.7Very high13 Ų1353.2 Ų53.27%0.06729%0.293CS..Hα-helixtrans-59.1-45.3174-69.7166000110.6E239 N240 W246 R247 F300 F306E239-I243 HydrophobicContact CG-CD1 4.09Å; E239-I243 VanDerWaalsContact O-CG1 3.32Å; E239-I243 WeakPolarHBondContact O-CG1 3.27Å; E239-I243 PolarHBondContact O-N 3.28Å; N240-I243 PolarHBondContact O-N 3.19Å; I243-W246 PolarHBondContact O-N 3.46Å; I243-R247 WeakPolarHBondContact O-CG 3.2Å; I243-R247 PolarHBondContact O-N 3.17Å; I243-F300 HydrophobicContact CD1-CE1 4.23Å; I243-F300 HydrophobicContact CG1-CD1 4.01Å; I243-F300 HydrophobicContact CG1-CE1 3.61Å; I243-F300 HydrophobicContact CG1-CZ 4.02Å; I243-F306 HydrophobicContact CG1-CE2 4.37Å; I243-F306 HydrophobicContact CG2-CE2 4.49Å; I243-F306 HydrophobicContact CG2-CZ 4.2Å
244I96.1Very high93.8Very high98 Ų9852.8 Ų52.850%0.50328%0.283SS..Hα-helixtrans-61.3-46.3176.7-66.7165.1000110.4N240 E241 Q242 W246 R247 E248N240-I244 VanDerWaalsContact O-CG1 3.32Å; N240-I244 WeakPolarHBondContact O-CG1 3.27Å; N240-I244 PolarHBondContact O-N 2.84Å; E241-I244 PolarHBondContact O-N 2.91Å; Q242-I244 VanDerWaalsContact C-N 3.32Å; Q242-I244 PolarHBondContact O-N 2.91Å; I244-W246 PolarHBondContact O-N 3.4Å; I244-R247 PolarHBondContact O-N 2.96Å; I244-E248 WeakPolarHBondContact O-CG 3.42Å; I244-E248 PolarHBondContact O-N 3.31Å
245A96.6Very high93.9Very high6 Ų652.4 Ų52.45%0.0528%0.284CS..Hα-helixtrans-60.7-41.4178.800000112.8K223 I224 E241 Q242 E248 F249K223-A245 HydrophobicContact CB-CB 4.01Å; I224-A245 HydrophobicContact CG1-CB 3.81Å; E241-A245 PolarHBondContact O-N 3.11Å; Q242-A245 PolarHBondContact O-N 3.47Å; A245-E248 PolarHBondContact O-N 2.93Å; A245-F249 PolarHBondContact O-N 3.36Å; A245-F249 VanDerWaalsContact O-N 3.12Å
246W97.1Very high93.9Very high1 Ų147.6 Ų47.60%0.00426%0.258CS..Hα-helixtrans-65.1-41.1174.5-81.8106.9000112.5I224 R226 Q242 I243 I244 E248 F249 I250 Q295 A296 C299 F300 F306I224-W246 HydrophobicContact CD1-CD2 4.04Å; I224-W246 HydrophobicContact CD1-CE3 3.97Å; I224-W246 HydrophobicContact CD1-CG 4.45Å; I224-W246 HydrophobicContact CD1-CZ3 4.34Å; I224-W246 HydrophobicContact CG2-CD2 3.91Å; I224-W246 HydrophobicContact CG2-CE3 4.4Å; I224-W246 HydrophobicContact CG2-CH2 3.78Å; I224-W246 HydrophobicContact CG2-CZ2 3.21Å; I224-W246 HydrophobicContact CG2-CZ3 4.34Å; R226-W246 HydrophobicContact CG-CH2 4.48Å; Q242-W246 PolarHBondContact O-N 3.31Å; I243-W246 PolarHBondContact O-N 3.46Å; I244-W246 PolarHBondContact O-N 3.4Å; W246-E248 VanDerWaalsContact C-N 3.34Å; W246-F249 HydrophobicContact CE3-CD1 4.11Å; W246-F249 HydrophobicContact CZ3-CD1 4.06Å; W246-F249 HydrophobicContact CZ3-CE1 4.44Å; W246-F249 PolarHBondContact O-N 3.48Å; W246-I250 WeakPolarHBondContact O-CG1 3.39Å; W246-I250 PolarHBondContact O-N 3.39Å; W246-Q295 HydrophobicContact CH2-CB 3.69Å; W246-Q295 HydrophobicContact CZ3-CB 3.69Å; W246-A296 HydrophobicContact CB-CB 4.45Å; W246-A296 HydrophobicContact CD2-CB 3.89Å; W246-A296 HydrophobicContact CE3-CB 3.72Å; W246-A296 HydrophobicContact CG-CB 4.24Å; W246-A296 HydrophobicContact CZ3-CB 4.29Å; W246-C299 HydrophobicContact CZ2-CB 4.5Å; W246-F300 AromaticContact CD1-CD2 3.74Å; W246-F300 AromaticContact CD1-CE2 3.29Å; W246-F300 HydrophobicContact CG-CE2 4.37Å; W246-F300 AromaticContact NE1-CD2 3.91Å; W246-F300 AromaticContact NE1-CE2 3.46Å; W246-F306 HydrophobicContact CB-CE1 4.18Å; W246-F306 HydrophobicContact CB-CZ 4.13Å
247R96.6Very high93.6Very high92 Ų9246.1 Ų46.135%0.34725%0.247SC..Hα-helixtrans-63.6-38.6175-77.9-179162.91490.9112.4I243 I244 F249 I250 A251 E305 F306 E309I243-R247 WeakPolarHBondContact O-CG 3.2Å; I243-R247 PolarHBondContact O-N 3.17Å; I244-R247 PolarHBondContact O-N 2.96Å; R247-F249 VanDerWaalsContact C-N 3.32Å; R247-F249 PolarHBondContact O-N 3.06Å; R247-I250 PolarHBondContact O-N 3.35Å; R247-A251 WeakPolarHBondContact O-CB 3.26Å; R247-A251 PolarHBondContact O-N 3.36Å; R247-E305 IonicContact CZ-OE2 3.06Å; R247-E305 IonicContact NH1-OE2 3.07Å; R247-E305 IonicContact NH2-OE2 3.52Å; R247-E305 PolarHBondContact NH2-OE2 3.42Å; R247-F306 HydrophobicContact CG-CE1 4.46Å; R247-E309 IonicContact CZ-OE1 3.28Å; R247-E309 IonicContact NE-OE1 3.24Å; R247-E309 PolarHBondContact NE-OE1 3.38Å; R247-E309 IonicContact NH2-OE1 3.85Å; R247-E309 PolarHBondContact NH2-OE1 2.9Å
248E96.3Very high93Very high79 Ų7944.5 Ų44.537%0.36923%0.228SC..Hα-helixtrans-59.8-41.9172.4-73.7-177.4176.800111.6V220 K223 I244 A245 W246 W252V220-E248 HydrophobicContact CG1-CB 4.09Å; K223-E248 IonicContact NZ-OE1 3.54Å; K223-E248 IonicContact NZ-OE2 3.25Å; K223-E248 PolarHBondContact NZ-OE2 3.14Å; I244-E248 WeakPolarHBondContact O-CG 3.42Å; I244-E248 PolarHBondContact O-N 3.31Å; A245-E248 PolarHBondContact O-N 2.93Å; W246-E248 VanDerWaalsContact C-N 3.34Å; E248-W252 WeakPolarHBondContact O-CB 3.42Å; E248-W252 PolarHBondContact O-N 2.89Å
249F95.6Very high92.1Very high5 Ų546.7 Ų46.72%0.02224%0.24CC..Hα-helixtrans-66.9-45.6176.8176.1-121.6000112.8M217 V220 M221 I224 A245 W246 R247 A251 W252 E253 A292M217-F249 HydrophobicContact CE-CE2 3.86Å; M217-F249 HydrophobicContact CE-CZ 3.85Å; M217-F249 HydrophobicContact CG-CE2 4.19Å; V220-F249 HydrophobicContact CG1-CB 3.78Å; V220-F249 HydrophobicContact CG1-CD2 4.49Å; M221-F249 HydrophobicContact CG-CD2 4.21Å; M221-F249 HydrophobicContact CG-CE2 4.17Å; M221-F249 HydrophobicContact SD-CB 4.46Å; M221-F249 HydrophobicContact SD-CD1 3.78Å; M221-F249 HydrophobicContact SD-CD2 3.52Å; M221-F249 VanDerWaalsContact SD-CD2 3.52Å; M221-F249 HydrophobicContact SD-CE1 3.82Å; M221-F249 HydrophobicContact SD-CE2 3.59Å; M221-F249 VanDerWaalsContact SD-CE2 3.59Å; M221-F249 HydrophobicContact SD-CG 3.63Å; M221-F249 HydrophobicContact SD-CZ 3.74Å; I224-F249 HydrophobicContact CD1-CB 3.72Å; I224-F249 HydrophobicContact CD1-CD1 4.49Å; I224-F249 HydrophobicContact CD1-CG 4.24Å; A245-F249 PolarHBondContact O-N 3.36Å; A245-F249 VanDerWaalsContact O-N 3.12Å; W246-F249 HydrophobicContact CE3-CD1 4.11Å; W246-F249 HydrophobicContact CZ3-CD1 4.06Å; W246-F249 HydrophobicContact CZ3-CE1 4.44Å; W246-F249 PolarHBondContact O-N 3.48Å; R247-F249 VanDerWaalsContact C-N 3.32Å; R247-F249 PolarHBondContact O-N 3.06Å; F249-A251 VanDerWaalsContact C-N 3.33Å; F249-A251 PolarHBondContact O-N 3.32Å; F249-W252 HydrophobicContact CD2-CE3 4.23Å; F249-W252 HydrophobicContact CE2-CE3 4.01Å; F249-W252 HydrophobicContact CE2-CZ3 4.23Å; F249-W252 WeakPolarHBondContact O-CB 3.37Å; F249-W252 PolarHBondContact O-N 3Å; F249-E253 HydrophobicContact CE2-CG 3.93Å; F249-E253 HydrophobicContact CZ-CG 3.94Å; F249-E253 PolarHBondContact O-N 3.23Å; F249-A292 HydrophobicContact CD1-CB 3.93Å; F249-A292 HydrophobicContact CE1-CB 3.45Å; F249-A292 VanDerWaalsContact CE1-CB 3.45Å; F249-A292 HydrophobicContact CZ-CB 4.14Å
250I94.8Very high90.7Very high4 Ų447 Ų472%0.02124%0.243CC..Hα-helixtrans-61.9-43.8176.8-68.8161.3000110.4W246 R247 W252 E253 Q254 A292 Y293 A296 F306W246-I250 WeakPolarHBondContact O-CG1 3.39Å; W246-I250 PolarHBondContact O-N 3.39Å; R247-I250 PolarHBondContact O-N 3.35Å; I250-W252 VanDerWaalsContact C-N 3.3Å; I250-W252 PolarHBondContact O-N 3.04Å; I250-E253 PolarHBondContact O-N 2.91Å; I250-Q254 HydrophobicContact CG2-CG 4.41Å; I250-Q254 WeakPolarHBondContact O-CB 3.42Å; I250-Q254 WeakPolarHBondContact O-CG 3.27Å; I250-Q254 PolarHBondContact O-N 3.39Å; I250-A292 HydrophobicContact CG1-CB 4.05Å; I250-Y293 HydrophobicContact CD1-CD1 3.76Å; I250-Y293 HydrophobicContact CD1-CE1 3.77Å; I250-Y293 HydrophobicContact CD1-CG 4.48Å; I250-Y293 HydrophobicContact CG1-CD1 4.47Å; I250-Y293 HydrophobicContact CG1-CE1 4.46Å; I250-Y293 HydrophobicContact CG2-CE1 3.88Å; I250-Y293 HydrophobicContact CG2-CE2 3.88Å; I250-Y293 VanDerWaalsContact CG2-CZ 3.5Å; I250-A296 HydrophobicContact CD1-CB 4.25Å; I250-F306 HydrophobicContact CD1-CD1 4.11Å; I250-F306 HydrophobicContact CD1-CE1 3.96Å
251A95.2Very high88.8Confident54 Ų5446 Ų4645%0.44624%0.239SC..Hα-helixtrans-63-36.817600000112R247 F249 Q254 S255R247-A251 WeakPolarHBondContact O-CB 3.26Å; R247-A251 PolarHBondContact O-N 3.36Å; F249-A251 VanDerWaalsContact C-N 3.33Å; F249-A251 PolarHBondContact O-N 3.32Å; A251-Q254 PolarHBondContact O-N 2.95Å; A251-S255 PolarHBondContact O-N 3.46Å
252W94.1Very high86.7Confident30 Ų3044.8 Ų44.811%0.11424%0.237CC..Hα-helixtrans-63-46.2173.1179.581.6000111.4Q216 M217 V220 E248 F249 I250 Q254 S255 P257Q216-W252 HydrophobicContact CB-CZ2 4.16Å; M217-W252 HydrophobicContact CB-CH2 3.65Å; M217-W252 HydrophobicContact CB-CZ2 4.15Å; M217-W252 HydrophobicContact CB-CZ3 3.99Å; M217-W252 HydrophobicContact CG-CH2 3.95Å; M217-W252 HydrophobicContact CG-CZ3 3.8Å; V220-W252 HydrophobicContact CG2-CG 4.49Å; E248-W252 WeakPolarHBondContact O-CB 3.42Å; E248-W252 PolarHBondContact O-N 2.89Å; F249-W252 HydrophobicContact CD2-CE3 4.23Å; F249-W252 HydrophobicContact CE2-CE3 4.01Å; F249-W252 HydrophobicContact CE2-CZ3 4.23Å; F249-W252 WeakPolarHBondContact O-CB 3.37Å; F249-W252 PolarHBondContact O-N 3Å; I250-W252 VanDerWaalsContact C-N 3.3Å; I250-W252 PolarHBondContact O-N 3.04Å; W252-Q254 PolarHBondContact O-N 3.28Å; W252-S255 WeakPolarHBondContact O-CB 3.08Å; W252-S255 PolarHBondContact O-N 3.08Å; W252-S255 PolarHBondContact O-OG 2.94Å; W252-P257 HydrophobicContact CD2-CB 4.43Å; W252-P257 HydrophobicContact CD2-CG 4.08Å; W252-P257 HydrophobicContact CE3-CG 4.06Å; W252-P257 HydrophobicContact CH2-CB 3.98Å; W252-P257 HydrophobicContact CH2-CG 3.59Å; W252-P257 HydrophobicContact CZ2-CB 3.49Å; W252-P257 VanDerWaalsContact CZ2-CB 3.49Å; W252-P257 HydrophobicContact CZ2-CG 3.6Å; W252-P257 HydrophobicContact CZ3-CG 3.83Å; W252-P257 WeakPolarHBondContact O-CD 3.5Å
253E91.3Very high84.5Confident20 Ų2045.3 Ų45.39%0.09324%0.238CC..Hα-helixtrans-62.8-41.6175-72.3-69.4-177.100112.1F249 I250 S255 N256 P257 Y285 V289 A292F249-E253 HydrophobicContact CE2-CG 3.93Å; F249-E253 HydrophobicContact CZ-CG 3.94Å; F249-E253 PolarHBondContact O-N 3.23Å; I250-E253 PolarHBondContact O-N 2.91Å; E253-S255 PolarHBondContact O-N 3.23Å; E253-N256 WeakPolarHBondContact O-CA 3.41Å; E253-N256 PolarHBondContact O-N 3.32Å; E253-P257 WeakPolarHBondContact O-CD 3.44Å; E253-Y285 WeakPolarHBondContact O-CE2 3.32Å; E253-V289 HydrophobicContact CB-CG2 4.04Å; E253-A292 HydrophobicContact CG-CB 4.12Å
254Q90.5Very high82.1Confident72 Ų7245.8 Ų45.834%0.33624%0.243SC..Hα-helixtrans-64.8-24.4175.9-74.6179.7-12.600113.2I250 A251 W252 N256 Y285 V289 Y293 F313I250-Q254 HydrophobicContact CG2-CG 4.41Å; I250-Q254 WeakPolarHBondContact O-CB 3.42Å; I250-Q254 WeakPolarHBondContact O-CG 3.27Å; I250-Q254 PolarHBondContact O-N 3.39Å; A251-Q254 PolarHBondContact O-N 2.95Å; W252-Q254 PolarHBondContact O-N 3.28Å; Q254-N256 PolarHBondContact O-N 3.02Å; Q254-N256 VanDerWaalsContact O-N 3.11Å; Q254-Y285 PolarHBondContact O-OH 3.05Å; Q254-Y285 VanDerWaalsContact O-OH 3.1Å; Q254-V289 HydrophobicContact CG-CG1 3.73Å; Q254-V289 HydrophobicContact CG-CG2 4.04Å; Q254-Y293 PolarHBondContact NE2-OH 3.46Å; Q254-Y293 VanDerWaalsContact NE2-OH 3.11Å; Q254-F313 HydrophobicContact CG-CE2 4.32Å
255S90.7Very high79.3Confident80 Ų8045.3 Ų45.356%0.55924%0.241SC*.THydrogen-bonded Turntrans-68.6-2.6171.580.50000113.4A251 W252 E253A251-S255 PolarHBondContact O-N 3.46Å; W252-S255 WeakPolarHBondContact O-CB 3.08Å; W252-S255 PolarHBondContact O-N 3.08Å; W252-S255 PolarHBondContact O-OG 2.94Å; E253-S255 PolarHBondContact O-N 3.23Å
256N86Confident76.5Confident22 Ų2252.3 Ų52.312%0.11827%0.267CS..  trans53.664.3180-170.12.1000111.8E253 Q254 L258 Q259 A260 D262 Y285E253-N256 WeakPolarHBondContact O-CA 3.41Å; E253-N256 PolarHBondContact O-N 3.32Å; Q254-N256 PolarHBondContact O-N 3.02Å; Q254-N256 VanDerWaalsContact O-N 3.11Å; N256-L258 PolarHBondContact O-N 2.92Å; N256-Q259 WeakPolarHBondContact O-CA 3.46Å; N256-Q259 PolarHBondContact O-N 3.42Å; N256-Q259 PolarHBondContact OD1-N 3.37Å; N256-A260 PolarHBondContact ND2-O 2.67Å; N256-A260 PolarHBondContact OD1-N 3.19Å; N256-D262 PolarHBondContact ND2-OD1 2.78Å; N256-Y285 HydrophobicContact CB-CD2 3.8Å; N256-Y285 HydrophobicContact CB-CE2 3.71Å
257P85.4Confident73.4Confident17 Ų1756.2 Ų56.211%0.1130%0.299CS..THydrogen-bonded Turntrans-63.4-32.3-172.123.3-31.4000112.3L213 W252 E253 Q259L213-P257 WeakPolarHBondContact CD1-O 3.39Å; L213-P257 HydrophobicContact CD2-CB 4.04Å; L213-P257 WeakPolarHBondContact CD2-O 3.44Å; W252-P257 HydrophobicContact CD2-CB 4.43Å; W252-P257 HydrophobicContact CD2-CG 4.08Å; W252-P257 HydrophobicContact CE3-CG 4.06Å; W252-P257 HydrophobicContact CH2-CB 3.98Å; W252-P257 HydrophobicContact CH2-CG 3.59Å; W252-P257 HydrophobicContact CZ2-CB 3.49Å; W252-P257 VanDerWaalsContact CZ2-CB 3.49Å; W252-P257 HydrophobicContact CZ2-CG 3.6Å; W252-P257 HydrophobicContact CZ3-CG 3.83Å; W252-P257 WeakPolarHBondContact O-CD 3.5Å; E253-P257 WeakPolarHBondContact O-CD 3.44Å; P257-Q259 PolarHBondContact O-N 3.1Å
258L79.9Confident70.3Confident38 Ų3863.3 Ų63.320%0.19933%0.326CS..THydrogen-bonded Turntrans-69.6-11.1174.3-72.6168.5000112.9P173 R209 I210 L213 N256 A260 I284P173-L258 HydrophobicContact CG-CD2 3.87Å; P173-L258 HydrophobicContact CG-CG 4.38Å; R209-L258 PolarHBondContact NH2-O 3.49Å; I210-L258 HydrophobicContact CD1-CD2 3.46Å; I210-L258 VanDerWaalsContact CD1-CD2 3.46Å; L213-L258 HydrophobicContact CD1-CD2 3.62Å; L213-L258 HydrophobicContact CD1-CG 4.23Å; N256-L258 PolarHBondContact O-N 2.92Å; L258-A260 HydrophobicContact CB-CB 4.26Å; L258-A260 PolarHBondContact O-N 2.97Å; L258-A260 VanDerWaalsContact O-N 3.12Å; L258-I284 HydrophobicContact CD1-CG2 4.13Å
259Q74.1Confident67.5Low145 Ų14571.1 Ų71.168%0.67835%0.352SS*.  trans43.939.3-165.7-53.5170.9-12.400109.7R209 N256 P257 V261R209-Q259 VanDerWaalsContact NH2-OE1 3.16Å; N256-Q259 WeakPolarHBondContact O-CA 3.46Å; N256-Q259 PolarHBondContact O-N 3.42Å; N256-Q259 PolarHBondContact OD1-N 3.37Å; P257-Q259 PolarHBondContact O-N 3.1Å; Q259-V261 PolarHBondContact O-N 3.48Å
260A63.1Low64.5Low9 Ų974.3 Ų74.37%0.07439%0.387CS..  trans-61.7128.3176.100000105.4N256 L258 D262N256-A260 PolarHBondContact ND2-O 2.67Å; N256-A260 PolarHBondContact OD1-N 3.19Å; L258-A260 HydrophobicContact CB-CB 4.26Å; L258-A260 PolarHBondContact O-N 2.97Å; L258-A260 VanDerWaalsContact O-N 3.12Å; A260-D262 PolarHBondContact O-N 3.2Å
261V55.6Low61.4Low47 Ų4778.6 Ų78.629%0.28542%0.423SS..  trans-57.8119.5-174.3176.80000109.6Q259 Y263 L265 F280Q259-V261 PolarHBondContact O-N 3.48Å; V261-Y263 PolarHBondContact O-N 3.19Å; V261-L265 HydrophobicContact CB-CD1 4.45Å; V261-L265 HydrophobicContact CG1-CB 4.21Å; V261-L265 HydrophobicContact CG1-CD1 3.65Å; V261-L265 HydrophobicContact CG1-CG 3.75Å; V261-L265 HydrophobicContact CG2-CD1 4.4Å; V261-F280 HydrophobicContact CB-CD1 3.96Å; V261-F280 HydrophobicContact CB-CE1 4.36Å; V261-F280 HydrophobicContact CG2-CD1 3.41Å; V261-F280 VanDerWaalsContact CG2-CD1 3.41Å; V261-F280 HydrophobicContact CG2-CE1 3.32Å
262D50.6Low58.4Low96 Ų9683.6 Ų83.651%0.51344%0.442SS..  trans-43.5123.3-179.7-72.6-26.3000110.6N256 A260 C264N256-D262 PolarHBondContact ND2-OD1 2.78Å; A260-D262 PolarHBondContact O-N 3.2Å; D262-C264 PolarHBondContact O-N 3.45Å
263Y50.5Low55.6Low23 Ų2391.6 Ų91.69%0.0948%0.477CS..SBendtrans44.8-17.3167.6-60.7-85.2000119.9V261 P282 Y285 C286 A317 K320 M321V261-Y263 PolarHBondContact O-N 3.19Å; Y263-P282 WeakPolarHBondContact O-CB 3.28Å; Y263-P282 WeakPolarHBondContact O-CG 3.38Å; Y263-Y285 HydrophobicContact CE2-CD1 4.15Å; Y263-Y285 HydrophobicContact CE2-CE1 4.01Å; Y263-Y285 AromaticContact CZ-CE1 3.9Å; Y263-Y285 WeakPolarHBondContact OH-CE1 3.43Å; Y263-C286 WeakPolarHBondContact CD1-SG 3.31Å; Y263-C286 WeakPolarHBondContact CE1-SG 3.45Å; Y263-A317 HydrophobicContact CE1-CB 3.48Å; Y263-A317 VanDerWaalsContact CE1-CB 3.48Å; Y263-K320 HydrophobicContact CD2-CB 4.36Å; Y263-K320 HydrophobicContact CD2-CG 3.84Å; Y263-K320 HydrophobicContact CE2-CG 4.28Å; Y263-K320 HydrophobicContact CG-CB 4.46Å; Y263-K320 HydrophobicContact CG-CG 4.2Å; Y263-M321 HydrophobicContact CD1-CE 3.64Å; Y263-M321 HydrophobicContact CD1-CG 3.89Å; Y263-M321 HydrophobicContact CE1-CE 3.92Å
264C44Very low53.1Low24 Ų2497.7 Ų97.716%0.16251%0.509CS..  trans-166.348.5-144.1-75.70000118.4D262 L324 M326D262-C264 PolarHBondContact O-N 3.45Å; C264-L324 HydrophobicContact CB-CB 3.88Å; C264-L324 HydrophobicContact CB-CD1 3.54Å; C264-L324 HydrophobicContact CB-CD2 4.41Å; C264-L324 HydrophobicContact CB-CG 4.12Å; C264-L324 WeakPolarHBondContact SG-CB 3.28Å; C264-L324 WeakPolarHBondContact SG-CD1 3.17Å; C264-M326 VanDerWaalsContact CA-SD 3.59Å; C264-M326 HydrophobicContact CB-SD 3.93Å; C264-M326 PolarHBondContact SG-SD 3.3Å
265L38.2Very low50.4Low88 Ų88102.8 Ų102.846%0.46153%0.53SS..SBendtrans-120.1134.1156.5-73.3-179.1000111.9V261V261-L265 HydrophobicContact CB-CD1 4.45Å; V261-L265 HydrophobicContact CG1-CB 4.21Å; V261-L265 HydrophobicContact CG1-CD1 3.65Å; V261-L265 HydrophobicContact CG1-CG 3.75Å; V261-L265 HydrophobicContact CG2-CD1 4.4Å
266Y36.4Very low47.7Very low153 Ų153103.9 Ų103.960%0.653%0.525SS*.  trans91.849.2178.1-45.3-68.7000118.2F276 F280Y266-F276 HydrophobicContact CE2-CD1 4.16Å; Y266-F280 HydrophobicContact CD2-CB 3.84Å; Y266-F280 HydrophobicContact CE2-CB 3.54Å; Y266-F280 HydrophobicContact CE2-CD1 4.11Å; Y266-F280 HydrophobicContact CE2-CD2 4.43Å; Y266-F280 AromaticContact CE2-CG 3.8Å; Y266-F280 HydrophobicContact CE2-CG 3.8Å
267A32.2Very low45.5Very low82 Ų82105.9 Ų105.968%0.67855%0.545SS*.SBendtrans-101.5111.6137.600000108.5
268R31.7Very low43.4Very low242 Ų242110.5 Ų110.591%0.91356%0.561SS**SBendtrans94.375.2163.2-145.8-179.2-145.31573.7119.3
269R37.5Very low41.4Very low242 Ų242112.5 Ų112.591%0.91357%0.572SS**  175129.1128.5-102176172.7136.9-2.3112.3
270G32.3Very low39.7Very low73 Ų73108.3 Ų108.375%0.75355%0.551SS**  trans63.1103.314200000119.9
271A29.8Very low38.8Very low94 Ų94110.7 Ų110.778%0.77756%0.563SS**  trans38.983.4138.800000119
272N32.4Very low38.4Very low159 Ų159109.2 Ų109.285%0.8555%0.554SS**  trans-169.183130.8-97.7-35.5000109.2
273K35.5Very low38.8Very low197 Ų197111 Ų11186%0.85756%0.557SS**THydrogen-bonded Turntrans-69.5139.6176.3-76.4174.5171.9177.20109.3
274I38.9Very low39.8Very low148 Ų148112 Ų11276%0.75956%0.564SS**THydrogen-bonded Turntrans117.6-39.3159.9-59.1156.7000115.4
275F33.8Very low41.5Very low179 Ų179112.1 Ų112.179%0.78556%0.561SS**THydrogen-bonded Turntrans-91.3-31.7-179.2-156.7-102.1000114.4
276F34.1Very low43.6Very low103 Ų103108.6 Ų108.645%0.45254%0.543SS..SBendtrans-88.2-14.5-177.5-98.6-97.1000115.1Y266 Y278 L279 F280Y266-F276 HydrophobicContact CE2-CD1 4.16Å; F276-Y278 PolarHBondContact O-N 3.22Å; F276-L279 PolarHBondContact O-N 3.35Å; F276-F280 AromaticContact CD1-CD2 3.34Å; F276-F280 HydrophobicContact CD1-CD2 3.34Å; F276-F280 AromaticContact CD1-CE2 3.61Å; F276-F280 HydrophobicContact CD1-CE2 3.61Å; F276-F280 HydrophobicContact CD1-CG 4.18Å; F276-F280 AromaticContact CE1-CD2 3.54Å; F276-F280 HydrophobicContact CE1-CD2 3.54Å; F276-F280 AromaticContact CE1-CE2 3.26Å; F276-F280 HydrophobicContact CE1-CE2 3.26Å; F276-F280 HydrophobicContact CE1-CG 4.47Å; F276-F280 AromaticContact CE1-CZ 3.99Å; F276-F280 HydrophobicContact CE1-CZ 3.99Å; F276-F280 HydrophobicContact CG-CD2 4.48Å; F276-F280 HydrophobicContact CZ-CE2 4.29Å; F276-F280 PolarHBondContact O-N 3.24Å
277A39.7Very low45.8Very low65 Ų65104.8 Ų104.854%0.53753%0.53SS..THydrogen-bonded Turntrans-68.3-19.6-173.600000114.4
278Y42.3Very low48.5Very low113 Ų113101.3 Ų101.344%0.44350%0.501SS..THydrogen-bonded Turntrans-98.6-16179.3-78.1-80.6000114K164 F276 I284K164-Y278 WeakPolarHBondContact CE-OH 3.21Å; K164-Y278 PolarHBondContact NZ-OH 2.87Å; F276-Y278 PolarHBondContact O-N 3.22Å; Y278-I284 VanDerWaalsContact O-CD1 3.28Å; Y278-I284 WeakPolarHBondContact O-CD1 3.44Å
279L37.8Very low51.3Low81 Ų8189.8 Ų89.842%0.42446%0.458SS..THydrogen-bonded Turntrans-102.4-18.5-175.8-122.183.7000114.1F276F276-L279 PolarHBondContact O-N 3.35Å
280F37.7Very low53.9Low56 Ų5679.7 Ų79.725%0.24642%0.421CS..SBendtrans-132.646.7-174.2-70.6-97000111.7V261 Y266 F276V261-F280 HydrophobicContact CB-CD1 3.96Å; V261-F280 HydrophobicContact CB-CE1 4.36Å; V261-F280 HydrophobicContact CG2-CD1 3.41Å; V261-F280 VanDerWaalsContact CG2-CD1 3.41Å; V261-F280 HydrophobicContact CG2-CE1 3.32Å; Y266-F280 HydrophobicContact CD2-CB 3.84Å; Y266-F280 HydrophobicContact CE2-CB 3.54Å; Y266-F280 HydrophobicContact CE2-CD1 4.11Å; Y266-F280 HydrophobicContact CE2-CD2 4.43Å; Y266-F280 AromaticContact CE2-CG 3.8Å; Y266-F280 HydrophobicContact CE2-CG 3.8Å; F276-F280 AromaticContact CD1-CD2 3.34Å; F276-F280 HydrophobicContact CD1-CD2 3.34Å; F276-F280 AromaticContact CD1-CE2 3.61Å; F276-F280 HydrophobicContact CD1-CE2 3.61Å; F276-F280 HydrophobicContact CD1-CG 4.18Å; F276-F280 AromaticContact CE1-CD2 3.54Å; F276-F280 HydrophobicContact CE1-CD2 3.54Å; F276-F280 AromaticContact CE1-CE2 3.26Å; F276-F280 HydrophobicContact CE1-CE2 3.26Å; F276-F280 HydrophobicContact CE1-CG 4.47Å; F276-F280 AromaticContact CE1-CZ 3.99Å; F276-F280 HydrophobicContact CE1-CZ 3.99Å; F276-F280 HydrophobicContact CG-CD2 4.48Å; F276-F280 HydrophobicContact CZ-CE2 4.29Å; F276-F280 PolarHBondContact O-N 3.24Å
281N45.1Very low56.7Low60 Ų6076.7 Ų76.732%0.32139%0.388SS..  trans-96.9117.1173.9-161.5-38.6000108.7K283 I284N281-K283 PolarHBondContact O-N 3.39Å; N281-K283 WeakPolarHBondContact OD1-CB 3.21Å; N281-K283 WeakPolarHBondContact OD1-CD 3.49Å; N281-K283 WeakPolarHBondContact OD1-CG 3.49Å; N281-K283 PolarHBondContact OD1-N 3.18Å; N281-K283 VanDerWaalsContact OD1-N 3.09Å; N281-I284 HydrophobicContact CB-CD1 3.96Å; N281-I284 HydrophobicContact CB-CG1 4.1Å; N281-I284 PolarHBondContact O-N 3.03Å
282P46.1Very low59.7Low15 Ų1572.2 Ų72.210%0.09735%0.351CS..THydrogen-bonded Turntrans-42.3-32.4170.2-36.740.6000114.9Y263 I284 M326Y263-P282 WeakPolarHBondContact O-CB 3.28Å; Y263-P282 WeakPolarHBondContact O-CG 3.38Å; P282-I284 PolarHBondContact O-N 3.41Å; P282-M326 HydrophobicContact CB-CE 4.45Å; P282-M326 HydrophobicContact CG-CE 3.88Å; P282-M326 HydrophobicContact CG-SD 4.21Å
283K59.7Low62.7Low135 Ų13565.1 Ų65.159%0.58731%0.312SS*.Hα-helixtrans-65.9-26.3-176.6-62.1177.5-178.8-170.50111.6N281 F287N281-K283 PolarHBondContact O-N 3.39Å; N281-K283 WeakPolarHBondContact OD1-CB 3.21Å; N281-K283 WeakPolarHBondContact OD1-CD 3.49Å; N281-K283 WeakPolarHBondContact OD1-CG 3.49Å; N281-K283 PolarHBondContact OD1-N 3.18Å; N281-K283 VanDerWaalsContact OD1-N 3.09Å; K283-F287 WeakPolarHBondContact O-CA 3.41Å; K283-F287 WeakPolarHBondContact O-CB 3.5Å; K283-F287 PolarHBondContact O-N 3.48Å
284I70.2Confident65.4Low43 Ų4357 Ų5722%0.22128%0.277CS..Hα-helixtrans-66.8-48.4-172.5-65.6164.3000111.3L258 Y278 N281 P282 A288L258-I284 HydrophobicContact CD1-CG2 4.13Å; Y278-I284 VanDerWaalsContact O-CD1 3.28Å; Y278-I284 WeakPolarHBondContact O-CD1 3.44Å; N281-I284 HydrophobicContact CB-CD1 3.96Å; N281-I284 HydrophobicContact CB-CG1 4.1Å; N281-I284 PolarHBondContact O-N 3.03Å; P282-I284 PolarHBondContact O-N 3.41Å; I284-A288 VanDerWaalsContact O-CB 3.23Å; I284-A288 WeakPolarHBondContact O-CB 3.31Å; I284-A288 PolarHBondContact O-N 3.09Å
285Y79.8Confident68.1Low27 Ų2750.4 Ų50.411%0.10624%0.243CC..Hα-helixtrans-63.1-54.8-179.8170.7-110.1000111.4E253 Q254 N256 Y263 F287 A288 V289 F313E253-Y285 WeakPolarHBondContact O-CE2 3.32Å; Q254-Y285 PolarHBondContact O-OH 3.05Å; Q254-Y285 VanDerWaalsContact O-OH 3.1Å; N256-Y285 HydrophobicContact CB-CD2 3.8Å; N256-Y285 HydrophobicContact CB-CE2 3.71Å; Y263-Y285 HydrophobicContact CE2-CD1 4.15Å; Y263-Y285 HydrophobicContact CE2-CE1 4.01Å; Y263-Y285 AromaticContact CZ-CE1 3.9Å; Y263-Y285 WeakPolarHBondContact OH-CE1 3.43Å; Y285-F287 VanDerWaalsContact C-N 3.29Å; Y285-F287 PolarHBondContact O-N 3.15Å; Y285-A288 PolarHBondContact O-N 3.14Å; Y285-A288 VanDerWaalsContact O-N 3.17Å; Y285-V289 HydrophobicContact CD2-CG2 4.18Å; Y285-V289 HydrophobicContact CE2-CG2 3.7Å; Y285-V289 PolarHBondContact O-N 3.19Å; Y285-F313 HydrophobicContact CD1-CZ 4.46Å; Y285-F313 HydrophobicContact CE1-CE2 4.1Å; Y285-F313 AromaticContact CE1-CZ 3.8Å; Y285-F313 HydrophobicContact CE1-CZ 3.8Å
286C82.3Confident71Confident13 Ų1341.9 Ų41.99%0.08821%0.205CC..Hα-helixtrans-59.4-43.2179.7-50.30000111.7Y263 I290 F313Y263-C286 WeakPolarHBondContact CD1-SG 3.31Å; Y263-C286 WeakPolarHBondContact CE1-SG 3.45Å; C286-I290 VanDerWaalsContact O-CB 3.29Å; C286-I290 WeakPolarHBondContact O-CB 3.32Å; C286-I290 WeakPolarHBondContact O-CG1 3.32Å; C286-I290 PolarHBondContact O-N 3.01Å; C286-F313 HydrophobicContact CB-CE1 4.47Å
287F83.3Confident73.9Confident74 Ų7437.3 Ų37.333%0.32519%0.186SC..Hα-helixtrans-67.6-36.2-179.9-175.7-96.1000111.6D125 L129 K283 Y285 Y291D125-F287 WeakPolarHBondContact O-CZ 3.31Å; L129-F287 HydrophobicContact CD1-CD1 3.42Å; L129-F287 VanDerWaalsContact CD1-CD1 3.42Å; L129-F287 HydrophobicContact CD1-CE1 3.77Å; L129-F287 HydrophobicContact CG-CD1 4.22Å; L129-F287 HydrophobicContact CG-CE1 4.08Å; K283-F287 WeakPolarHBondContact O-CA 3.41Å; K283-F287 WeakPolarHBondContact O-CB 3.5Å; K283-F287 PolarHBondContact O-N 3.48Å; Y285-F287 VanDerWaalsContact C-N 3.29Å; Y285-F287 PolarHBondContact O-N 3.15Å; F287-Y291 WeakPolarHBondContact O-CB 3.23Å; F287-Y291 PolarHBondContact O-N 3.35Å
288A88Confident76.5Confident9 Ų935.2 Ų35.27%0.07417%0.166CC..Hα-helixtrans-64.9-48.5175.200000111.8L129 I284 Y285 Y291 A292L129-A288 HydrophobicContact CD1-CB 4.22Å; I284-A288 VanDerWaalsContact O-CB 3.23Å; I284-A288 WeakPolarHBondContact O-CB 3.31Å; I284-A288 PolarHBondContact O-N 3.09Å; Y285-A288 PolarHBondContact O-N 3.14Å; Y285-A288 VanDerWaalsContact O-N 3.17Å; A288-Y291 PolarHBondContact O-N 3.22Å; A288-A292 PolarHBondContact O-N 3.5Å
289V91.2Very high78.9Confident0 Ų030.1 Ų30.10%015%0.146CC..Hα-helixtrans-63.2-45.1177.5177.50000111.2E253 Q254 Y285 Y291 A292 Y293 F313E253-V289 HydrophobicContact CB-CG2 4.04Å; Q254-V289 HydrophobicContact CG-CG1 3.73Å; Q254-V289 HydrophobicContact CG-CG2 4.04Å; Y285-V289 HydrophobicContact CD2-CG2 4.18Å; Y285-V289 HydrophobicContact CE2-CG2 3.7Å; Y285-V289 PolarHBondContact O-N 3.19Å; V289-Y291 VanDerWaalsContact C-N 3.34Å; V289-Y291 PolarHBondContact O-N 3.26Å; V289-A292 WeakPolarHBondContact O-CB 3.22Å; V289-A292 PolarHBondContact O-N 2.83Å; V289-A292 VanDerWaalsContact O-N 3.16Å; V289-Y293 HydrophobicContact CG1-CD2 3.98Å; V289-Y293 HydrophobicContact CG1-CE2 3.7Å; V289-Y293 VanDerWaalsContact O-CD2 3.31Å; V289-Y293 WeakPolarHBondContact O-CD2 3.48Å; V289-Y293 PolarHBondContact O-N 3.47Å; V289-F313 HydrophobicContact CB-CD1 4.4Å; V289-F313 HydrophobicContact CB-CE1 3.71Å; V289-F313 HydrophobicContact CB-CE2 4.05Å; V289-F313 HydrophobicContact CB-CZ 3.5Å; V289-F313 HydrophobicContact CG1-CD1 3.9Å; V289-F313 HydrophobicContact CG1-CD2 3.83Å; V289-F313 HydrophobicContact CG1-CE1 3.68Å; V289-F313 HydrophobicContact CG1-CE2 3.62Å; V289-F313 HydrophobicContact CG1-CG 3.97Å; V289-F313 HydrophobicContact CG1-CZ 3.53Å; V289-F313 HydrophobicContact CG2-CE1 4.43Å; V289-F313 HydrophobicContact CG2-CE2 4.1Å; V289-F313 HydrophobicContact CG2-CZ 3.73Å
290I91.3Very high81.6Confident29 Ų2926.2 Ų26.215%0.14913%0.126CC..Hα-helixtrans-65.1-39.8176.8-68.2-65.7000111.2C286 A292 Y293 E294 F313 L314C286-I290 VanDerWaalsContact O-CB 3.29Å; C286-I290 WeakPolarHBondContact O-CB 3.32Å; C286-I290 WeakPolarHBondContact O-CG1 3.32Å; C286-I290 PolarHBondContact O-N 3.01Å; I290-A292 VanDerWaalsContact C-N 3.26Å; I290-A292 PolarHBondContact O-N 3.42Å; I290-Y293 HydrophobicContact CD1-CD2 4.41Å; I290-Y293 CarbonylContact O-C 3.59Å; I290-Y293 WeakPolarHBondContact O-CB 3.29Å; I290-Y293 PolarHBondContact O-N 2.85Å; I290-Y293 VanDerWaalsContact O-N 3.16Å; I290-E294 HydrophobicContact CG2-CG 4.21Å; I290-E294 VanDerWaalsContact O-CG 3.24Å; I290-E294 WeakPolarHBondContact O-CG 3.36Å; I290-E294 PolarHBondContact O-N 2.89Å; I290-F313 HydrophobicContact CD1-CD1 3.8Å; I290-F313 HydrophobicContact CD1-CE1 4.37Å; I290-F313 HydrophobicContact CG1-CD1 4.09Å; I290-F313 HydrophobicContact CG1-CE1 4.15Å; I290-L314 HydrophobicContact CD1-CD1 4.1Å; I290-L314 HydrophobicContact CD1-CD2 3.41Å; I290-L314 VanDerWaalsContact CD1-CD2 3.41Å; I290-L314 HydrophobicContact CD1-CG 3.46Å; I290-L314 VanDerWaalsContact CD1-CG 3.46Å; I290-L314 HydrophobicContact CG1-CD2 3.61Å; I290-L314 HydrophobicContact CG1-CG 4.24Å
291Y91.8Very high84.3Confident11 Ų1123.9 Ų23.94%0.04312%0.117CC..Hα-helixtrans-60.5-37.4174-170.5-96.7000111.7L92 K126 V127 D130 F287 A288 V289 E294 Q295L92-Y291 HydrophobicContact CB-CE2 4.22Å; L92-Y291 HydrophobicContact CD1-CD2 4.14Å; L92-Y291 HydrophobicContact CD1-CE2 4.1Å; K126-Y291 VanDerWaalsContact O-CE2 3.3Å; K126-Y291 WeakPolarHBondContact O-CE2 3.37Å; V127-Y291 HydrophobicContact CG1-CE2 4.26Å; D130-Y291 HydrophobicContact CB-CE1 4.06Å; D130-Y291 WeakPolarHBondContact CB-OH 3.45Å; D130-Y291 PolarHBondContact OD2-OH 3.3Å; D130-Y291 VanDerWaalsContact OD2-OH 3.11Å; F287-Y291 WeakPolarHBondContact O-CB 3.23Å; F287-Y291 PolarHBondContact O-N 3.35Å; A288-Y291 PolarHBondContact O-N 3.22Å; V289-Y291 VanDerWaalsContact C-N 3.34Å; V289-Y291 PolarHBondContact O-N 3.26Å; Y291-E294 WeakPolarHBondContact O-CB 3.44Å; Y291-E294 PolarHBondContact O-N 3.46Å; Y291-Q295 HydrophobicContact CD1-CG 4Å; Y291-Q295 HydrophobicContact CE1-CG 3.63Å; Y291-Q295 VanDerWaalsContact CZ-NE2 3.33Å; Y291-Q295 WeakPolarHBondContact O-CG 3.4Å; Y291-Q295 PolarHBondContact O-N 2.92Å; Y291-Q295 PolarHBondContact OH-NE2 3.35Å
292A93.7Very high86.6Confident0 Ų023 Ų230%011%0.11CC..Hα-helixtrans-62.8-44.5173.600000112.3F249 I250 E253 A288 V289 I290 Q295 A296F249-A292 HydrophobicContact CD1-CB 3.93Å; F249-A292 HydrophobicContact CE1-CB 3.45Å; F249-A292 VanDerWaalsContact CE1-CB 3.45Å; F249-A292 HydrophobicContact CZ-CB 4.14Å; I250-A292 HydrophobicContact CG1-CB 4.05Å; E253-A292 HydrophobicContact CG-CB 4.12Å; A288-A292 PolarHBondContact O-N 3.5Å; V289-A292 WeakPolarHBondContact O-CB 3.22Å; V289-A292 PolarHBondContact O-N 2.83Å; V289-A292 VanDerWaalsContact O-N 3.16Å; I290-A292 VanDerWaalsContact C-N 3.26Å; I290-A292 PolarHBondContact O-N 3.42Å; A292-Q295 PolarHBondContact O-N 3.25Å; A292-A296 PolarHBondContact O-N 3.41Å
293Y94.7Very high88.8Confident10 Ų1023 Ų234%0.03911%0.109CC..Hα-helixtrans-61-42.9171.7-77.9-66.5000112.1I250 Q254 V289 I290 Q295 A296 L297 E309 A310 F313I250-Y293 HydrophobicContact CD1-CD1 3.76Å; I250-Y293 HydrophobicContact CD1-CE1 3.77Å; I250-Y293 HydrophobicContact CD1-CG 4.48Å; I250-Y293 HydrophobicContact CG1-CD1 4.47Å; I250-Y293 HydrophobicContact CG1-CE1 4.46Å; I250-Y293 HydrophobicContact CG2-CE1 3.88Å; I250-Y293 HydrophobicContact CG2-CE2 3.88Å; I250-Y293 VanDerWaalsContact CG2-CZ 3.5Å; Q254-Y293 PolarHBondContact NE2-OH 3.46Å; Q254-Y293 VanDerWaalsContact NE2-OH 3.11Å; V289-Y293 HydrophobicContact CG1-CD2 3.98Å; V289-Y293 HydrophobicContact CG1-CE2 3.7Å; V289-Y293 VanDerWaalsContact O-CD2 3.31Å; V289-Y293 WeakPolarHBondContact O-CD2 3.48Å; V289-Y293 PolarHBondContact O-N 3.47Å; I290-Y293 HydrophobicContact CD1-CD2 4.41Å; I290-Y293 CarbonylContact O-C 3.59Å; I290-Y293 WeakPolarHBondContact O-CB 3.29Å; I290-Y293 PolarHBondContact O-N 2.85Å; I290-Y293 VanDerWaalsContact O-N 3.16Å; Y293-Q295 VanDerWaalsContact C-N 3.34Å; Y293-Q295 PolarHBondContact O-N 3.2Å; Y293-A296 PolarHBondContact O-N 3.02Å; Y293-L297 WeakPolarHBondContact O-CB 3.41Å; Y293-L297 VanDerWaalsContact O-CG 3.27Å; Y293-L297 WeakPolarHBondContact O-CG 3.36Å; Y293-L297 PolarHBondContact O-N 3.3Å; Y293-E309 HydrophobicContact CE1-CB 3.67Å; Y293-A310 HydrophobicContact CD1-CB 3.84Å; Y293-A310 HydrophobicContact CD2-CB 4Å; Y293-A310 HydrophobicContact CE1-CB 4.39Å; Y293-A310 HydrophobicContact CG-CB 3.64Å; Y293-F313 HydrophobicContact CE2-CB 4.14Å; Y293-F313 HydrophobicContact CE2-CG 4.39Å
294E93Very high90.4Very high26 Ų2618.6 Ų18.612%0.1219%0.093CC..Hα-helixtrans-58.1-45.2176.3-71.3-68.3171.900111.6L92 I290 Y291 L297 L298 R343L92-E294 HydrophobicContact CD1-CB 4.03Å; L92-E294 HydrophobicContact CD1-CG 3.99Å; I290-E294 HydrophobicContact CG2-CG 4.21Å; I290-E294 VanDerWaalsContact O-CG 3.24Å; I290-E294 WeakPolarHBondContact O-CG 3.36Å; I290-E294 PolarHBondContact O-N 2.89Å; Y291-E294 WeakPolarHBondContact O-CB 3.44Å; Y291-E294 PolarHBondContact O-N 3.46Å; E294-L297 PolarHBondContact O-N 3.48Å; E294-L298 WeakPolarHBondContact O-CG 3.4Å; E294-L298 PolarHBondContact O-N 3.25Å; E294-R343 VanDerWaalsContact CD-NH1 3.31Å; E294-R343 IonicContact OE1-CZ 2.73Å; E294-R343 VanDerWaalsContact OE1-CZ 3.29Å; E294-R343 IonicContact OE1-NH1 2.71Å; E294-R343 PolarHBondContact OE1-NH1 3.13Å; E294-R343 IonicContact OE1-NH2 2.91Å; E294-R343 PolarHBondContact OE1-NH2 2.76Å; E294-R343 IonicContact OE2-CZ 2.72Å; E294-R343 IonicContact OE2-NH1 3.18Å; E294-R343 PolarHBondContact OE2-NH1 3.32Å; E294-R343 IonicContact OE2-NH2 3.67Å; E294-R343 PolarHBondContact OE2-NH2 3.35Å
295Q94.3Very high91.6Very high9 Ų921.1 Ų21.14%0.04210%0.104CC..Hα-helixtrans-64.4-40.8176-67.5-54-67.100112.2L92 W246 Y291 A292 Y293 L298L92-Q295 PolarHBondContact O-NE2 3.43Å; W246-Q295 HydrophobicContact CH2-CB 3.69Å; W246-Q295 HydrophobicContact CZ3-CB 3.69Å; Y291-Q295 HydrophobicContact CD1-CG 4Å; Y291-Q295 HydrophobicContact CE1-CG 3.63Å; Y291-Q295 VanDerWaalsContact CZ-NE2 3.33Å; Y291-Q295 WeakPolarHBondContact O-CG 3.4Å; Y291-Q295 PolarHBondContact O-N 2.92Å; Y291-Q295 PolarHBondContact OH-NE2 3.35Å; A292-Q295 PolarHBondContact O-N 3.25Å; Y293-Q295 VanDerWaalsContact C-N 3.34Å; Y293-Q295 PolarHBondContact O-N 3.2Å; Q295-L298 WeakPolarHBondContact O-CB 3.44Å; Q295-L298 PolarHBondContact O-N 2.93Å
296A95.5Very high92.3Very high0 Ų019.9 Ų19.90%010%0.099CC..Hα-helixtrans-63.1-42.8175.900000111.3W246 I250 A292 Y293 L298 C299 F300 F306W246-A296 HydrophobicContact CB-CB 4.45Å; W246-A296 HydrophobicContact CD2-CB 3.89Å; W246-A296 HydrophobicContact CE3-CB 3.72Å; W246-A296 HydrophobicContact CG-CB 4.24Å; W246-A296 HydrophobicContact CZ3-CB 4.29Å; I250-A296 HydrophobicContact CD1-CB 4.25Å; A292-A296 PolarHBondContact O-N 3.41Å; Y293-A296 PolarHBondContact O-N 3.02Å; A296-L298 PolarHBondContact O-N 3.32Å; A296-C299 CarbonylContact O-C 3.6Å; A296-C299 PolarHBondContact O-N 3.4Å; A296-F300 PolarHBondContact O-N 3.35Å; A296-F306 HydrophobicContact CB-CD1 4.04Å; A296-F306 HydrophobicContact CB-CE1 4.08Å
297L94.6Very high92.9Very high7 Ų719.6 Ų19.64%0.03710%0.096CC..Hα-helixtrans-63.2-25.9177.7-73.5173.8000113Y293 E294 C299 S301 F306 W307 L340Y293-L297 WeakPolarHBondContact O-CB 3.41Å; Y293-L297 VanDerWaalsContact O-CG 3.27Å; Y293-L297 WeakPolarHBondContact O-CG 3.36Å; Y293-L297 PolarHBondContact O-N 3.3Å; E294-L297 PolarHBondContact O-N 3.48Å; L297-C299 PolarHBondContact O-N 3.27Å; L297-S301 WeakPolarHBondContact O-CA 3.45Å; L297-S301 VanDerWaalsContact O-CB 3.23Å; L297-S301 WeakPolarHBondContact O-CB 3.15Å; L297-S301 PolarHBondContact O-N 3.45Å; L297-S301 VanDerWaalsContact O-N 3.09Å; L297-F306 HydrophobicContact CD2-CB 3.81Å; L297-F306 HydrophobicContact CG-CB 4.48Å; L297-W307 HydrophobicContact CD1-CD2 4.16Å; L297-W307 HydrophobicContact CD1-CE3 3.95Å; L297-W307 HydrophobicContact CD1-CH2 4.21Å; L297-W307 HydrophobicContact CD1-CZ2 4.39Å; L297-W307 HydrophobicContact CD1-CZ3 3.99Å; L297-W307 HydrophobicContact CD2-CD2 3.71Å; L297-W307 HydrophobicContact CD2-CE3 4.35Å; L297-W307 HydrophobicContact CD2-CG 3.9Å; L297-W307 HydrophobicContact CD2-CZ2 4.02Å; L297-L340 HydrophobicContact CD1-CD1 4.34Å
298L94Very high93.5Very high22 Ų2217.6 Ų17.612%0.1159%0.091CC..Hα-helixtrans-61.2-36.3171.4-60-175.2000111.9S52 V91 E294 Q295 A296S52-L298 PolarHBondContact OG-O 3.17Å; V91-L298 HydrophobicContact CG1-CD2 4.1Å; E294-L298 WeakPolarHBondContact O-CG 3.4Å; E294-L298 PolarHBondContact O-N 3.25Å; Q295-L298 WeakPolarHBondContact O-CB 3.44Å; Q295-L298 PolarHBondContact O-N 2.93Å; A296-L298 PolarHBondContact O-N 3.32Å
299C93.6Very high93.8Very high5 Ų519.3 Ų19.33%0.03410%0.097CC..Hα-helixtrans-93.4-28.4-177.5-58.90000113.5R228 S230 W246 A296 L297R228-C299 HydrophobicContact CB-CB 4.36Å; S230-C299 VanDerWaalsContact CA-O 3.31Å; S230-C299 WeakPolarHBondContact CA-O 3.26Å; W246-C299 HydrophobicContact CZ2-CB 4.5Å; A296-C299 CarbonylContact O-C 3.6Å; A296-C299 PolarHBondContact O-N 3.4Å; L297-C299 PolarHBondContact O-N 3.27Å
300F94.2Very high94Very high0 Ų019.4 Ų19.40%010%0.098CC..Hα-helixtrans-130.338.6-170.3-68.1-79.8000112.6E239 Q242 I243 W246 A296 F302 H303 F306E239-F300 HydrophobicContact CG-CE1 4Å; Q242-F300 HydrophobicContact CB-CE2 4.21Å; Q242-F300 HydrophobicContact CB-CZ 3.66Å; I243-F300 HydrophobicContact CD1-CE1 4.23Å; I243-F300 HydrophobicContact CG1-CD1 4.01Å; I243-F300 HydrophobicContact CG1-CE1 3.61Å; I243-F300 HydrophobicContact CG1-CZ 4.02Å; W246-F300 AromaticContact CD1-CD2 3.74Å; W246-F300 AromaticContact CD1-CE2 3.29Å; W246-F300 HydrophobicContact CG-CE2 4.37Å; W246-F300 AromaticContact NE1-CD2 3.91Å; W246-F300 AromaticContact NE1-CE2 3.46Å; A296-F300 PolarHBondContact O-N 3.35Å; F300-F302 PolarHBondContact O-N 3.12Å; F300-F302 VanDerWaalsContact O-N 3.14Å; F300-H303 HydrophobicContact CB-CB 4.22Å; F300-H303 AromaticContact CD1-CE1 3.59Å; F300-H303 AromaticContact CD1-CG 3.94Å; F300-H303 AromaticContact CD1-ND1 3.6Å; F300-H303 AromaticContact CD1-NE2 3.9Å; F300-H303 PolarHBondContact O-N 3.01Å; F300-F306 HydrophobicContact CB-CD2 3.61Å; F300-F306 HydrophobicContact CB-CE2 3.57Å; F300-F306 HydrophobicContact CD1-CE2 4.32Å; F300-F306 HydrophobicContact CD2-CE2 4.15Å; F300-F306 HydrophobicContact CD2-CZ 4.5Å; F300-F306 HydrophobicContact CG-CD2 4.32Å; F300-F306 AromaticContact CG-CE2 3.76Å; F300-F306 HydrophobicContact CG-CE2 3.76Å
301S93.3Very high94.1Very high7 Ų718.3 Ų18.35%0.0499%0.093CC..THydrogen-bonded Turntrans-61.9-22.6-178.866.30000113.7S230 L297 W307 S348 M349S230-S301 VanDerWaalsContact CB-OG 3.31Å; S230-S301 WeakPolarHBondContact CB-OG 3.48Å; S230-S301 PolarHBondContact OG-N 3.36Å; S230-S301 PolarHBondContact OG-OG 2.84Å; L297-S301 WeakPolarHBondContact O-CA 3.45Å; L297-S301 VanDerWaalsContact O-CB 3.23Å; L297-S301 WeakPolarHBondContact O-CB 3.15Å; L297-S301 PolarHBondContact O-N 3.45Å; L297-S301 VanDerWaalsContact O-N 3.09Å; S301-W307 PolarHBondContact O-NE1 3.12Å; S301-S348 WeakPolarHBondContact O-CB 3.37Å; S301-S348 PolarHBondContact O-OG 3.35Å; S301-M349 WeakPolarHBondContact O-CE 3.35Å
302F93.1Very high94.2Very high42 Ų4223.4 Ų23.418%0.18412%0.117CC..THydrogen-bonded Turntrans-86-2.4176.8-69.8-78.4000114.3Y19 S230 P232 F300 M349Y19-F302 HydrophobicContact CD1-CE2 4.44Å; Y19-F302 HydrophobicContact CD1-CZ 4.45Å; Y19-F302 HydrophobicContact CE1-CE1 4.38Å; Y19-F302 AromaticContact CE1-CE2 3.83Å; Y19-F302 HydrophobicContact CE1-CE2 3.83Å; Y19-F302 AromaticContact CE1-CZ 3.46Å; Y19-F302 HydrophobicContact CE1-CZ 3.46Å; Y19-F302 VanDerWaalsContact CE1-CZ 3.46Å; Y19-F302 AromaticContact CZ-CZ 3.66Å; Y19-F302 WeakPolarHBondContact OH-CZ 3.22Å; S230-F302 WeakPolarHBondContact OG-CD2 3.49Å; P232-F302 HydrophobicContact CG-CD1 4.18Å; P232-F302 HydrophobicContact CG-CD2 4.43Å; P232-F302 HydrophobicContact CG-CE1 4.28Å; P232-F302 HydrophobicContact CG-CG 4.27Å; P232-F302 HydrophobicContact CG-CZ 4.45Å; F300-F302 PolarHBondContact O-N 3.12Å; F300-F302 VanDerWaalsContact O-N 3.14Å; F302-M349 WeakPolarHBondContact O-CE 3.49Å
303H93.6Very high94.1Very high15 Ų1524.3 Ų24.37%0.06912%0.12CC..  trans-97111.4-180-66.562.2000109.4C233 E239 F300 E305 F306C233-H303 PolarHBondContact SG-NE2 3.39Å; E239-H303 IonicContact OE1-CD2 3.21Å; E239-H303 IonicContact OE1-CE1 3.61Å; E239-H303 PolarHBondContact OE1-CE1 3.3Å; E239-H303 IonicContact OE1-NE2 3.55Å; E239-H303 PolarHBondContact OE1-NE2 3.02Å; F300-H303 HydrophobicContact CB-CB 4.22Å; F300-H303 AromaticContact CD1-CE1 3.59Å; F300-H303 AromaticContact CD1-CG 3.94Å; F300-H303 AromaticContact CD1-ND1 3.6Å; F300-H303 AromaticContact CD1-NE2 3.9Å; F300-H303 PolarHBondContact O-N 3.01Å; H303-E305 PolarHBondContact O-N 3.42Å; H303-F306 HydrophobicContact CB-CD2 3.87Å; H303-F306 HydrophobicContact CB-CE2 4.34Å; H303-F306 PolarHBondContact O-N 2.9Å
304V93.8Very high93.9Very high42 Ų4224.4 Ų24.426%0.25512%0.122SC..Hα-helixtrans-62.1-30.6-174.970.60000112.5F306 W307 C308 M349 T352 L354 I355V304-F306 PolarHBondContact O-N 3.07Å; V304-W307 PolarHBondContact O-N 2.91Å; V304-C308 PolarHBondContact O-N 3.04Å; V304-C308 PolarHBondContact O-SG 2.82Å; V304-C308 VanDerWaalsContact O-SG 3.39Å; V304-M349 HydrophobicContact CB-CE 4.21Å; V304-M349 HydrophobicContact CB-SD 4.29Å; V304-M349 HydrophobicContact CG2-SD 4.38Å; V304-T352 HydrophobicContact CG2-CG2 4Å; V304-L354 HydrophobicContact CG2-CD2 4.08Å; V304-I355 HydrophobicContact CG2-CD1 3.77Å; V304-I355 HydrophobicContact CG2-CG1 3.98Å
305E93.6Very high93.8Very high96 Ų9625.5 Ų25.545%0.44913%0.127SC..Hα-helixtrans-57.3-46.7-177.3-60.5179.1-177.400112.1R247 H303 W307 C308 E309R247-E305 IonicContact CZ-OE2 3.06Å; R247-E305 IonicContact NH1-OE2 3.07Å; R247-E305 IonicContact NH2-OE2 3.52Å; R247-E305 PolarHBondContact NH2-OE2 3.42Å; H303-E305 PolarHBondContact O-N 3.42Å; E305-W307 VanDerWaalsContact C-N 3.32Å; E305-W307 PolarHBondContact O-N 3.48Å; E305-C308 PolarHBondContact O-N 3.37Å; E305-E309 WeakPolarHBondContact O-CB 3.41Å; E305-E309 VanDerWaalsContact O-CG 3.27Å; E305-E309 WeakPolarHBondContact O-CG 3.32Å; E305-E309 PolarHBondContact O-N 2.96Å
306F95.1Very high93.6Very high1 Ų129 Ų290%0.00415%0.146CC..Hα-helixtrans-64.4-34.9179.5-71.4-71.1000113I243 W246 R247 I250 A296 L297 F300 H303 V304 A310I243-F306 HydrophobicContact CG1-CE2 4.37Å; I243-F306 HydrophobicContact CG2-CE2 4.49Å; I243-F306 HydrophobicContact CG2-CZ 4.2Å; W246-F306 HydrophobicContact CB-CE1 4.18Å; W246-F306 HydrophobicContact CB-CZ 4.13Å; R247-F306 HydrophobicContact CG-CE1 4.46Å; I250-F306 HydrophobicContact CD1-CD1 4.11Å; I250-F306 HydrophobicContact CD1-CE1 3.96Å; A296-F306 HydrophobicContact CB-CD1 4.04Å; A296-F306 HydrophobicContact CB-CE1 4.08Å; L297-F306 HydrophobicContact CD2-CB 3.81Å; L297-F306 HydrophobicContact CG-CB 4.48Å; F300-F306 HydrophobicContact CB-CD2 3.61Å; F300-F306 HydrophobicContact CB-CE2 3.57Å; F300-F306 HydrophobicContact CD1-CE2 4.32Å; F300-F306 HydrophobicContact CD2-CE2 4.15Å; F300-F306 HydrophobicContact CD2-CZ 4.5Å; F300-F306 HydrophobicContact CG-CD2 4.32Å; F300-F306 AromaticContact CG-CE2 3.76Å; F300-F306 HydrophobicContact CG-CE2 3.76Å; H303-F306 HydrophobicContact CB-CD2 3.87Å; H303-F306 HydrophobicContact CB-CE2 4.34Å; H303-F306 PolarHBondContact O-N 2.9Å; V304-F306 PolarHBondContact O-N 3.07Å; F306-A310 WeakPolarHBondContact O-CB 3.01Å; F306-A310 PolarHBondContact O-N 2.89Å
307W95.2Very high93.2Very high7 Ų729 Ų293%0.02715%0.146CC..Hα-helixtrans-67.8-45.4174.8-67.796.3000111.2L297 S301 V304 E305 A310 V311 L340 R343 A344 M349 I355L297-W307 HydrophobicContact CD1-CD2 4.16Å; L297-W307 HydrophobicContact CD1-CE3 3.95Å; L297-W307 HydrophobicContact CD1-CH2 4.21Å; L297-W307 HydrophobicContact CD1-CZ2 4.39Å; L297-W307 HydrophobicContact CD1-CZ3 3.99Å; L297-W307 HydrophobicContact CD2-CD2 3.71Å; L297-W307 HydrophobicContact CD2-CE3 4.35Å; L297-W307 HydrophobicContact CD2-CG 3.9Å; L297-W307 HydrophobicContact CD2-CZ2 4.02Å; S301-W307 PolarHBondContact O-NE1 3.12Å; V304-W307 PolarHBondContact O-N 2.91Å; E305-W307 VanDerWaalsContact C-N 3.32Å; E305-W307 PolarHBondContact O-N 3.48Å; W307-A310 PolarHBondContact O-N 3.41Å; W307-V311 WeakPolarHBondContact O-CB 3.13Å; W307-V311 VanDerWaalsContact O-CG2 3.26Å; W307-V311 WeakPolarHBondContact O-CG2 3.2Å; W307-V311 PolarHBondContact O-N 3.25Å; W307-L340 HydrophobicContact CE3-CD1 3.9Å; W307-L340 HydrophobicContact CE3-CG 4.19Å; W307-L340 HydrophobicContact CZ3-CD1 3.65Å; W307-L340 HydrophobicContact CZ3-CG 4.26Å; W307-R343 HydrophobicContact CH2-CG 4.27Å; W307-A344 HydrophobicContact CD2-CB 3.81Å; W307-A344 HydrophobicContact CE3-CB 3.52Å; W307-A344 HydrophobicContact CH2-CB 4.08Å; W307-A344 HydrophobicContact CZ2-CB 4.34Å; W307-A344 HydrophobicContact CZ3-CB 3.66Å; W307-M349 HydrophobicContact CG-CG 4.39Å; W307-I355 HydrophobicContact CB-CD1 3.92Å
308C95.3Very high92.8Very high31 Ų3128.7 Ų28.721%0.20914%0.144CC..Hα-helixtrans-61.1-49.5177.9-68.40000111.6V304 E305 A310 V311 E312 L358V304-C308 PolarHBondContact O-N 3.04Å; V304-C308 PolarHBondContact O-SG 2.82Å; V304-C308 VanDerWaalsContact O-SG 3.39Å; E305-C308 PolarHBondContact O-N 3.37Å; C308-A310 PolarHBondContact O-N 2.92Å; C308-V311 PolarHBondContact O-N 2.98Å; C308-E312 WeakPolarHBondContact O-CB 3.29Å; C308-E312 PolarHBondContact O-N 3.49Å; C308-L358 HydrophobicContact CB-CD1 4.44Å; C308-L358 WeakPolarHBondContact SG-CD1 3.34Å
309E95.3Very high92.5Very high46 Ų4633 Ų3322%0.21516%0.164CC..Hα-helixtrans-61.8-41.4179.4-70173.4-156.200111.9R247 Y293 E305 E312 F313R247-E309 IonicContact CZ-OE1 3.28Å; R247-E309 IonicContact NE-OE1 3.24Å; R247-E309 PolarHBondContact NE-OE1 3.38Å; R247-E309 IonicContact NH2-OE1 3.85Å; R247-E309 PolarHBondContact NH2-OE1 2.9Å; Y293-E309 HydrophobicContact CE1-CB 3.67Å; E305-E309 WeakPolarHBondContact O-CB 3.41Å; E305-E309 VanDerWaalsContact O-CG 3.27Å; E305-E309 WeakPolarHBondContact O-CG 3.32Å; E305-E309 PolarHBondContact O-N 2.96Å; E309-E312 PolarHBondContact O-N 3.43Å; E309-F313 WeakPolarHBondContact O-CB 3.36Å; E309-F313 PolarHBondContact O-N 2.73Å
310A94.2Very high92Very high1 Ų137 Ų371%0.00818%0.181CC..Hα-helixtrans-65.4-41.9177.300000112.5Y293 F306 W307 C308 L314 L340Y293-A310 HydrophobicContact CD1-CB 3.84Å; Y293-A310 HydrophobicContact CD2-CB 4Å; Y293-A310 HydrophobicContact CE1-CB 4.39Å; Y293-A310 HydrophobicContact CG-CB 3.64Å; F306-A310 WeakPolarHBondContact O-CB 3.01Å; F306-A310 PolarHBondContact O-N 2.89Å; W307-A310 PolarHBondContact O-N 3.41Å; C308-A310 PolarHBondContact O-N 2.92Å; A310-L314 WeakPolarHBondContact O-CG 3.45Å; A310-L314 PolarHBondContact O-N 3.47Å; A310-L340 HydrophobicContact CB-CD2 3.83Å
311V93.9Very high91.4Very high7 Ų737.6 Ų37.64%0.04218%0.184CC..Hα-helixtrans-63.7-47.21751640000110.8W307 C308 F313 L314 Q315 T337 L340 F341W307-V311 WeakPolarHBondContact O-CB 3.13Å; W307-V311 VanDerWaalsContact O-CG2 3.26Å; W307-V311 WeakPolarHBondContact O-CG2 3.2Å; W307-V311 PolarHBondContact O-N 3.25Å; C308-V311 PolarHBondContact O-N 2.98Å; V311-F313 VanDerWaalsContact C-N 3.31Å; V311-F313 PolarHBondContact O-N 3.2Å; V311-L314 PolarHBondContact O-N 3Å; V311-L314 VanDerWaalsContact O-N 3.16Å; V311-Q315 HydrophobicContact CG1-CG 4.42Å; V311-Q315 WeakPolarHBondContact O-CG 3.32Å; V311-Q315 PolarHBondContact O-N 2.7Å; V311-T337 HydrophobicContact CG1-CG2 4.26Å; V311-L340 HydrophobicContact CG2-CD2 3.69Å; V311-L340 HydrophobicContact CG2-CG 4.26Å; V311-F341 HydrophobicContact CB-CE1 4.46Å; V311-F341 HydrophobicContact CB-CZ 4.24Å; V311-F341 HydrophobicContact CG1-CE1 3.95Å; V311-F341 HydrophobicContact CG1-CE2 3.76Å; V311-F341 HydrophobicContact CG1-CZ 3.3Å; V311-F341 HydrophobicContact CG2-CD1 4.14Å; V311-F341 HydrophobicContact CG2-CE1 3.79Å; V311-F341 HydrophobicContact CG2-CE2 4.27Å; V311-F341 HydrophobicContact CG2-CZ 3.89Å
312E93.5Very high91Very high118 Ų11840.9 Ų40.955%0.55120%0.197SC*.Hα-helixtrans-58.8-44.3178.6-176.7179.1178.700110.9C308 E309 L314 Q315 N316C308-E312 WeakPolarHBondContact O-CB 3.29Å; C308-E312 PolarHBondContact O-N 3.49Å; E309-E312 PolarHBondContact O-N 3.43Å; E312-L314 PolarHBondContact O-N 3.21Å; E312-Q315 PolarHBondContact O-N 2.88Å; E312-N316 WeakPolarHBondContact O-CB 3.3Å; E312-N316 VanDerWaalsContact O-CG 3.25Å; E312-N316 PolarHBondContact O-N 3.12Å; E312-N316 PolarHBondContact O-ND2 3.1Å
313F91.8Very high90.7Very high18 Ų1845.4 Ų45.48%0.07922%0.219CC..Hα-helixtrans-60-44.2174.8-179.6-90.8000112.3Q254 Y285 C286 V289 I290 Y293 E309 V311 A317Q254-F313 HydrophobicContact CG-CE2 4.32Å; Y285-F313 HydrophobicContact CD1-CZ 4.46Å; Y285-F313 HydrophobicContact CE1-CE2 4.1Å; Y285-F313 AromaticContact CE1-CZ 3.8Å; Y285-F313 HydrophobicContact CE1-CZ 3.8Å; C286-F313 HydrophobicContact CB-CE1 4.47Å; V289-F313 HydrophobicContact CB-CD1 4.4Å; V289-F313 HydrophobicContact CB-CE1 3.71Å; V289-F313 HydrophobicContact CB-CE2 4.05Å; V289-F313 HydrophobicContact CB-CZ 3.5Å; V289-F313 HydrophobicContact CG1-CD1 3.9Å; V289-F313 HydrophobicContact CG1-CD2 3.83Å; V289-F313 HydrophobicContact CG1-CE1 3.68Å; V289-F313 HydrophobicContact CG1-CE2 3.62Å; V289-F313 HydrophobicContact CG1-CG 3.97Å; V289-F313 HydrophobicContact CG1-CZ 3.53Å; V289-F313 HydrophobicContact CG2-CE1 4.43Å; V289-F313 HydrophobicContact CG2-CE2 4.1Å; V289-F313 HydrophobicContact CG2-CZ 3.73Å; I290-F313 HydrophobicContact CD1-CD1 3.8Å; I290-F313 HydrophobicContact CD1-CE1 4.37Å; I290-F313 HydrophobicContact CG1-CD1 4.09Å; I290-F313 HydrophobicContact CG1-CE1 4.15Å; Y293-F313 HydrophobicContact CE2-CB 4.14Å; Y293-F313 HydrophobicContact CE2-CG 4.39Å; E309-F313 WeakPolarHBondContact O-CB 3.36Å; E309-F313 PolarHBondContact O-N 2.73Å; V311-F313 VanDerWaalsContact C-N 3.31Å; V311-F313 PolarHBondContact O-N 3.2Å; F313-A317 WeakPolarHBondContact O-CB 3.05Å; F313-A317 PolarHBondContact O-N 3.44Å
314L90.7Very high90.1Very high12 Ų1248.4 Ų48.46%0.06324%0.235CC..Hα-helixtrans-64.1-39177.3-75.9178.2000112.9I290 A310 V311 E312 A317 A318 T337 L340I290-L314 HydrophobicContact CD1-CD1 4.1Å; I290-L314 HydrophobicContact CD1-CD2 3.41Å; I290-L314 VanDerWaalsContact CD1-CD2 3.41Å; I290-L314 HydrophobicContact CD1-CG 3.46Å; I290-L314 VanDerWaalsContact CD1-CG 3.46Å; I290-L314 HydrophobicContact CG1-CD2 3.61Å; I290-L314 HydrophobicContact CG1-CG 4.24Å; A310-L314 WeakPolarHBondContact O-CG 3.45Å; A310-L314 PolarHBondContact O-N 3.47Å; V311-L314 PolarHBondContact O-N 3Å; V311-L314 VanDerWaalsContact O-N 3.16Å; E312-L314 PolarHBondContact O-N 3.21Å; L314-A317 WeakPolarHBondContact O-CB 3.4Å; L314-A317 PolarHBondContact O-N 3.47Å; L314-A318 WeakPolarHBondContact O-CB 3.26Å; L314-A318 PolarHBondContact O-N 2.67Å; L314-T337 WeakPolarHBondContact CB-OG1 3.42Å; L314-L340 HydrophobicContact CD1-CB 4.45Å; L314-L340 HydrophobicContact CD1-CD2 3.84Å
315Q91.3Very high89.6Confident50 Ų5050.3 Ų50.323%0.23426%0.256CS..Hα-helixtrans-65.9-50.3177.7-70.4-176.629.200110.7V311 E312 A317 A318 E319 T337 F362V311-Q315 HydrophobicContact CG1-CG 4.42Å; V311-Q315 WeakPolarHBondContact O-CG 3.32Å; V311-Q315 PolarHBondContact O-N 2.7Å; E312-Q315 PolarHBondContact O-N 2.88Å; Q315-A317 VanDerWaalsContact C-N 3.27Å; Q315-A317 PolarHBondContact O-N 2.79Å; Q315-A318 WeakPolarHBondContact O-CB 3.4Å; Q315-A318 PolarHBondContact O-N 2.88Å; Q315-E319 WeakPolarHBondContact O-CG 3.37Å; Q315-E319 PolarHBondContact O-N 3.39Å; Q315-T337 HydrophobicContact CG-CG2 4.18Å; Q315-F362 HydrophobicContact CG-CD2 3.81Å; Q315-F362 HydrophobicContact CG-CE2 3.92Å
316N90.2Very high88.8Confident82 Ų8247.7 Ų47.744%0.43924%0.244SC..Hα-helixtrans-58.9-40176-68.2-20000111.6E312 K320E312-N316 WeakPolarHBondContact O-CB 3.3Å; E312-N316 VanDerWaalsContact O-CG 3.25Å; E312-N316 PolarHBondContact O-N 3.12Å; E312-N316 PolarHBondContact O-ND2 3.1Å; N316-K320 WeakPolarHBondContact O-CB 3.4Å; N316-K320 PolarHBondContact O-N 2.81Å
317A85.9Confident88.3Confident1 Ų153.1 Ų53.11%0.00827%0.269CS..Hα-helixtrans-61.2-45173.500000112.3Y263 F313 L314 Q315 K320 M321Y263-A317 HydrophobicContact CE1-CB 3.48Å; Y263-A317 VanDerWaalsContact CE1-CB 3.48Å; F313-A317 WeakPolarHBondContact O-CB 3.05Å; F313-A317 PolarHBondContact O-N 3.44Å; L314-A317 WeakPolarHBondContact O-CB 3.4Å; L314-A317 PolarHBondContact O-N 3.47Å; Q315-A317 VanDerWaalsContact C-N 3.27Å; Q315-A317 PolarHBondContact O-N 2.79Å; A317-K320 PolarHBondContact O-N 2.88Å; A317-M321 HydrophobicContact CB-CE 4.34Å; A317-M321 VanDerWaalsContact O-CG 3.25Å; A317-M321 WeakPolarHBondContact O-CG 3.43Å; A317-M321 PolarHBondContact O-N 3.44Å
318A86.5Confident87.8Confident0 Ų059.4 Ų59.40%030%0.299CS..Hα-helixtrans-65.3-46.5179.500000111.5L314 Q315 K320 M321 F322 A333 H334L314-A318 WeakPolarHBondContact O-CB 3.26Å; L314-A318 PolarHBondContact O-N 2.67Å; Q315-A318 WeakPolarHBondContact O-CB 3.4Å; Q315-A318 PolarHBondContact O-N 2.88Å; A318-K320 VanDerWaalsContact C-N 3.29Å; A318-K320 PolarHBondContact O-N 3.35Å; A318-M321 WeakPolarHBondContact O-CB 3.37Å; A318-M321 PolarHBondContact O-N 3.39Å; A318-M321 VanDerWaalsContact O-N 3.14Å; A318-F322 HydrophobicContact CB-CE2 4.3Å; A318-F322 WeakPolarHBondContact O-CD2 3.35Å; A318-F322 PolarHBondContact O-N 3.31Å; A318-A333 HydrophobicContact CB-CB 3.73Å; A318-H334 VanDerWaalsContact CB-CD2 3.4Å; A318-H334 WeakPolarHBondContact CB-CD2 3.42Å
319E88Confident87Confident113 Ų11358.8 Ų58.853%0.52830%0.296SS..Hα-helixtrans-54.6-47.4174.6-71.9-179.3178.300110.9Q315 M321 F322 E323Q315-E319 WeakPolarHBondContact O-CG 3.37Å; Q315-E319 PolarHBondContact O-N 3.39Å; E319-M321 VanDerWaalsContact C-N 3.33Å; E319-M321 PolarHBondContact O-N 2.95Å; E319-F322 PolarHBondContact O-N 3.11Å; E319-F322 VanDerWaalsContact O-N 3.08Å; E319-E323 PolarHBondContact O-N 3.03Å
320K84Confident86.5Confident87 Ų8756.6 Ų56.638%0.37829%0.286SS..Hα-helixtrans-62.7-38.8178.3-164.353.8168.8-175.10113.1Y263 N316 A317 A318 F322 E323 L324Y263-K320 HydrophobicContact CD2-CB 4.36Å; Y263-K320 HydrophobicContact CD2-CG 3.84Å; Y263-K320 HydrophobicContact CE2-CG 4.28Å; Y263-K320 HydrophobicContact CG-CB 4.46Å; Y263-K320 HydrophobicContact CG-CG 4.2Å; N316-K320 WeakPolarHBondContact O-CB 3.4Å; N316-K320 PolarHBondContact O-N 2.81Å; A317-K320 PolarHBondContact O-N 2.88Å; A318-K320 VanDerWaalsContact C-N 3.29Å; A318-K320 PolarHBondContact O-N 3.35Å; K320-F322 VanDerWaalsContact C-N 3.32Å; K320-F322 PolarHBondContact O-N 3.36Å; K320-E323 WeakPolarHBondContact CD-OE2 3.31Å; K320-E323 IonicContact NZ-OE2 3.39Å; K320-E323 PolarHBondContact NZ-OE2 3.23Å; K320-E323 PolarHBondContact O-N 3.12Å; K320-L324 HydrophobicContact CD-CD1 4.11Å; K320-L324 HydrophobicContact CG-CD1 3.92Å; K320-L324 WeakPolarHBondContact O-CD1 3.36Å; K320-L324 WeakPolarHBondContact O-CG 3.18Å; K320-L324 PolarHBondContact O-N 3.09Å
321M81.9Confident86.2Confident14 Ų1462.7 Ų62.77%0.06931%0.309CS..Hα-helixtrans-64.1-36.7174.4-69.4174.5-157.900112Y263 A317 A318 E319 A325 M326 A329 A333Y263-M321 HydrophobicContact CD1-CE 3.64Å; Y263-M321 HydrophobicContact CD1-CG 3.89Å; Y263-M321 HydrophobicContact CE1-CE 3.92Å; A317-M321 HydrophobicContact CB-CE 4.34Å; A317-M321 VanDerWaalsContact O-CG 3.25Å; A317-M321 WeakPolarHBondContact O-CG 3.43Å; A317-M321 PolarHBondContact O-N 3.44Å; A318-M321 WeakPolarHBondContact O-CB 3.37Å; A318-M321 PolarHBondContact O-N 3.39Å; A318-M321 VanDerWaalsContact O-N 3.14Å; E319-M321 VanDerWaalsContact C-N 3.33Å; E319-M321 PolarHBondContact O-N 2.95Å; M321-A325 PolarHBondContact O-N 3.11Å; M321-M326 HydrophobicContact CB-CB 4.41Å; M321-M326 WeakPolarHBondContact O-CA 3.26Å; M321-M326 WeakPolarHBondContact O-CB 3.35Å; M321-M326 PolarHBondContact O-N 3.34Å; M321-A329 HydrophobicContact CB-CB 4.46Å; M321-A329 HydrophobicContact CG-CB 4.25Å; M321-A329 HydrophobicContact SD-CB 3.57Å; M321-A329 VanDerWaalsContact SD-CB 3.57Å; M321-A333 HydrophobicContact CE-CB 4.39Å; M321-A333 HydrophobicContact SD-CB 4.13Å
322F84.7Confident85.8Confident76 Ų7665 Ų6533%0.33332%0.321SS..Hα-helixtrans-69.9-42.5175.2-70.2-61.2000112.4A318 E319 K320 L324 A325 H334A318-F322 HydrophobicContact CB-CE2 4.3Å; A318-F322 WeakPolarHBondContact O-CD2 3.35Å; A318-F322 PolarHBondContact O-N 3.31Å; E319-F322 PolarHBondContact O-N 3.11Å; E319-F322 VanDerWaalsContact O-N 3.08Å; K320-F322 VanDerWaalsContact C-N 3.32Å; K320-F322 PolarHBondContact O-N 3.36Å; F322-L324 PolarHBondContact O-N 3.44Å; F322-A325 PolarHBondContact O-N 3.33Å; F322-H334 AromaticContact CE2-CE1 3.47Å; F322-H334 VanDerWaalsContact CE2-CE1 3.47Å; F322-H334 WeakPolarHBondContact CE2-CE1 3.48Å; F322-H334 AromaticContact CE2-NE2 3.53Å; F322-H334 AromaticContact CZ-CE1 3.98Å
323E85.6Confident85.4Confident136 Ų13659.7 Ų59.764%0.63630%0.297SS*.Hα-helixtrans-54.7-37.4174.8-73.3-176171.600112.2E319 K320 A325E319-E323 PolarHBondContact O-N 3.03Å; K320-E323 WeakPolarHBondContact CD-OE2 3.31Å; K320-E323 IonicContact NZ-OE2 3.39Å; K320-E323 PolarHBondContact NZ-OE2 3.23Å; K320-E323 PolarHBondContact O-N 3.12Å; E323-A325 VanDerWaalsContact C-N 3.26Å; E323-A325 PolarHBondContact O-N 3.15Å
324L81.1Confident85.3Confident78 Ų7860.7 Ų60.741%0.40830%0.302SS..THydrogen-bonded Turntrans-90.815.5-177.3-65163.4000112.9C264 K320 F322 M326C264-L324 HydrophobicContact CB-CB 3.88Å; C264-L324 HydrophobicContact CB-CD1 3.54Å; C264-L324 HydrophobicContact CB-CD2 4.41Å; C264-L324 HydrophobicContact CB-CG 4.12Å; C264-L324 WeakPolarHBondContact SG-CB 3.28Å; C264-L324 WeakPolarHBondContact SG-CD1 3.17Å; K320-L324 HydrophobicContact CD-CD1 4.11Å; K320-L324 HydrophobicContact CG-CD1 3.92Å; K320-L324 WeakPolarHBondContact O-CD1 3.36Å; K320-L324 WeakPolarHBondContact O-CG 3.18Å; K320-L324 PolarHBondContact O-N 3.09Å; F322-L324 PolarHBondContact O-N 3.44Å; L324-M326 PolarHBondContact O-N 3.39Å
325A83Confident85.4Confident83 Ų8366.6 Ų66.669%0.68633%0.327SS*.THydrogen-bonded Turntrans59.826.3178.200000115M321 F322 E323 E327M321-A325 PolarHBondContact O-N 3.11Å; F322-A325 PolarHBondContact O-N 3.33Å; E323-A325 VanDerWaalsContact C-N 3.26Å; E323-A325 PolarHBondContact O-N 3.15Å; A325-E327 PolarHBondContact O-N 2.98Å
326M77.7Confident85.2Confident41 Ų4168.8 Ų68.820%0.20234%0.34CS..  trans-94.663.9174.7-67.6-162.752.200111.7C264 P282 M321 L324 E328 A329 G330C264-M326 VanDerWaalsContact CA-SD 3.59Å; C264-M326 HydrophobicContact CB-SD 3.93Å; C264-M326 PolarHBondContact SG-SD 3.3Å; P282-M326 HydrophobicContact CB-CE 4.45Å; P282-M326 HydrophobicContact CG-CE 3.88Å; P282-M326 HydrophobicContact CG-SD 4.21Å; M321-M326 HydrophobicContact CB-CB 4.41Å; M321-M326 WeakPolarHBondContact O-CA 3.26Å; M321-M326 WeakPolarHBondContact O-CB 3.35Å; M321-M326 PolarHBondContact O-N 3.34Å; L324-M326 PolarHBondContact O-N 3.39Å; M326-E328 VanDerWaalsContact C-N 3.34Å; M326-E328 PolarHBondContact O-N 2.92Å; M326-A329 HydrophobicContact CB-CB 4.08Å; M326-A329 HydrophobicContact CE-CB 3.91Å; M326-A329 PolarHBondContact O-N 2.92Å; M326-A329 VanDerWaalsContact O-N 3.09Å; M326-G330 PolarHBondContact O-N 3.25Å
327E83.8Confident85.3Confident114 Ų11464.9 Ų64.953%0.53332%0.319SS..Hα-helixtrans-57.1-40.6-172.3-64.3-174.9-172.300114.6A325 A329 G330 R331A325-E327 PolarHBondContact O-N 2.98Å; E327-A329 VanDerWaalsContact C-N 3.33Å; E327-G330 PolarHBondContact O-N 2.72Å; E327-R331 WeakPolarHBondContact O-CB 3.44Å; E327-R331 VanDerWaalsContact O-CG 3.32Å; E327-R331 WeakPolarHBondContact O-CG 3.42Å; E327-R331 PolarHBondContact O-N 3.44Å; E327-R331 IonicContact OE2-CZ 3.44Å; E327-R331 IonicContact OE2-NH1 3.47Å; E327-R331 PolarHBondContact OE2-NH1 2.87Å; E327-R331 IonicContact OE2-NH2 2.93Å
328E84.4Confident85.7Confident139 Ų13966.3 Ų66.365%0.6533%0.328SS*.Hα-helixtrans-66.2-38.7179.9-172.7179.9175.300111.4M326 N332M326-E328 VanDerWaalsContact C-N 3.34Å; M326-E328 PolarHBondContact O-N 2.92Å; E328-N332 PolarHBondContact O-N 3.37Å; E328-N332 PolarHBondContact O-ND2 3.47Å; E328-N332 VanDerWaalsContact O-ND2 3.1Å
329A79.9Confident86Confident19 Ų1969 Ų6916%0.15735%0.35CS..Hα-helixtrans-67.7-45.7176.700000110.8M321 M326 E327 R331 N332 A333M321-A329 HydrophobicContact CB-CB 4.46Å; M321-A329 HydrophobicContact CG-CB 4.25Å; M321-A329 HydrophobicContact SD-CB 3.57Å; M321-A329 VanDerWaalsContact SD-CB 3.57Å; M326-A329 HydrophobicContact CB-CB 4.08Å; M326-A329 HydrophobicContact CE-CB 3.91Å; M326-A329 PolarHBondContact O-N 2.92Å; M326-A329 VanDerWaalsContact O-N 3.09Å; E327-A329 VanDerWaalsContact C-N 3.33Å; A329-R331 PolarHBondContact O-N 2.56Å; A329-N332 PolarHBondContact O-N 3.06Å; A329-N332 VanDerWaalsContact O-N 3.15Å; A329-A333 PolarHBondContact O-N 2.65Å
330G83.8Confident86.2Confident0 Ų064 Ų640%033%0.327CS..Hα-helixtrans-60-42.8175.200000112.6M326 E327 N332 A333 H334M326-G330 PolarHBondContact O-N 3.25Å; E327-G330 PolarHBondContact O-N 2.72Å; G330-N332 VanDerWaalsContact C-N 3.32Å; G330-N332 PolarHBondContact O-N 3.06Å; G330-A333 PolarHBondContact O-N 2.95Å; G330-H334 PolarHBondContact O-N 3.32Å
331R87.8Confident86.7Confident129 Ų12960 Ų6049%0.48731%0.31SS..Hα-helixtrans-62.3-37174.5-76.9-171.6-70.4-105-0.1112.8E327 A329 K335E327-R331 WeakPolarHBondContact O-CB 3.44Å; E327-R331 VanDerWaalsContact O-CG 3.32Å; E327-R331 WeakPolarHBondContact O-CG 3.42Å; E327-R331 PolarHBondContact O-N 3.44Å; E327-R331 IonicContact OE2-CZ 3.44Å; E327-R331 IonicContact OE2-NH1 3.47Å; E327-R331 PolarHBondContact OE2-NH1 2.87Å; E327-R331 IonicContact OE2-NH2 2.93Å; A329-R331 PolarHBondContact O-N 2.56Å; R331-K335 WeakPolarHBondContact O-CG 3.44Å; R331-K335 PolarHBondContact O-N 2.64Å
332N86Confident87.3Confident55 Ų5561.8 Ų61.829%0.29432%0.318SS..Hα-helixtrans-70.7-42.4176-69.7-28.4000111.3E328 A329 G330 H334 K335 D336E328-N332 PolarHBondContact O-N 3.37Å; E328-N332 PolarHBondContact O-ND2 3.47Å; E328-N332 VanDerWaalsContact O-ND2 3.1Å; A329-N332 PolarHBondContact O-N 3.06Å; A329-N332 VanDerWaalsContact O-N 3.15Å; G330-N332 VanDerWaalsContact C-N 3.32Å; G330-N332 PolarHBondContact O-N 3.06Å; N332-H334 VanDerWaalsContact C-N 3.28Å; N332-H334 PolarHBondContact O-N 3Å; N332-K335 WeakPolarHBondContact O-CA 3.36Å; N332-K335 WeakPolarHBondContact O-CB 3.47Å; N332-K335 PolarHBondContact O-N 2.94Å; N332-D336 VanDerWaalsContact O-CG 3.3Å; N332-D336 PolarHBondContact O-N 2.95Å
333A85.7Confident87.7Confident6 Ų660.2 Ų60.25%0.0531%0.31CS..Hα-helixtrans-59-38.7174.300000112.2A318 M321 A329 G330 D336 T337A318-A333 HydrophobicContact CB-CB 3.73Å; M321-A333 HydrophobicContact CE-CB 4.39Å; M321-A333 HydrophobicContact SD-CB 4.13Å; A329-A333 PolarHBondContact O-N 2.65Å; G330-A333 PolarHBondContact O-N 2.95Å; A333-D336 PolarHBondContact O-N 3.41Å; A333-T337 PolarHBondContact O-N 2.92Å; A333-T337 PolarHBondContact O-OG1 3.14Å
334H90.2Very high88.1Confident39 Ų3953.8 Ų53.818%0.18128%0.28CS..Hα-helixtrans-61.7-43.2171.1-78.1-171.4000112.8A318 F322 G330 N332 D336 T337 V338 F362A318-H334 VanDerWaalsContact CB-CD2 3.4Å; A318-H334 WeakPolarHBondContact CB-CD2 3.42Å; F322-H334 AromaticContact CE2-CE1 3.47Å; F322-H334 VanDerWaalsContact CE2-CE1 3.47Å; F322-H334 WeakPolarHBondContact CE2-CE1 3.48Å; F322-H334 AromaticContact CE2-NE2 3.53Å; F322-H334 AromaticContact CZ-CE1 3.98Å; G330-H334 PolarHBondContact O-N 3.32Å; N332-H334 VanDerWaalsContact C-N 3.28Å; N332-H334 PolarHBondContact O-N 3Å; H334-D336 VanDerWaalsContact C-N 3.32Å; H334-D336 PolarHBondContact O-N 2.82Å; H334-T337 WeakPolarHBondContact O-CB 3.48Å; H334-T337 PolarHBondContact O-N 3.1Å; H334-V338 WeakPolarHBondContact O-CG2 3.32Å; H334-V338 PolarHBondContact O-N 3.22Å; H334-F362 HydrophobicContact CB-CZ 4.2Å
335K91.2Very high88.6Confident137 Ų13750.3 Ų50.360%0.59626%0.261SS*.Hα-helixtrans-63.2-40.5176.1-70.3173.8-177.8175.50111.8R331 N332 T337 V338 A339R331-K335 WeakPolarHBondContact O-CG 3.44Å; R331-K335 PolarHBondContact O-N 2.64Å; N332-K335 WeakPolarHBondContact O-CA 3.36Å; N332-K335 WeakPolarHBondContact O-CB 3.47Å; N332-K335 PolarHBondContact O-N 2.94Å; K335-T337 VanDerWaalsContact C-N 3.31Å; K335-T337 PolarHBondContact O-N 3.42Å; K335-V338 PolarHBondContact O-N 3.3Å; K335-A339 WeakPolarHBondContact O-CB 3.49Å; K335-A339 PolarHBondContact O-N 3.37Å
336D88.7Confident89Confident96 Ų9651.5 Ų51.551%0.51326%0.256SS..Hα-helixtrans-65.1-37.7177.3-64.2-21.6000110.9N332 A333 H334 A339 L340N332-D336 VanDerWaalsContact O-CG 3.3Å; N332-D336 PolarHBondContact O-N 2.95Å; A333-D336 PolarHBondContact O-N 3.41Å; H334-D336 VanDerWaalsContact C-N 3.32Å; H334-D336 PolarHBondContact O-N 2.82Å; D336-A339 PolarHBondContact O-N 2.9Å; D336-L340 WeakPolarHBondContact O-CB 3.33Å; D336-L340 PolarHBondContact O-N 3.26Å
337T91.8Very high89.4Confident0 Ų051.3 Ų51.30%026%0.259CS..Hα-helixtrans-61.6-46.4173.8-51.90000111.5V311 L314 Q315 A333 H334 K335 A339 L340 F341 F362V311-T337 HydrophobicContact CG1-CG2 4.26Å; L314-T337 WeakPolarHBondContact CB-OG1 3.42Å; Q315-T337 HydrophobicContact CG-CG2 4.18Å; A333-T337 PolarHBondContact O-N 2.92Å; A333-T337 PolarHBondContact O-OG1 3.14Å; H334-T337 WeakPolarHBondContact O-CB 3.48Å; H334-T337 PolarHBondContact O-N 3.1Å; K335-T337 VanDerWaalsContact C-N 3.31Å; K335-T337 PolarHBondContact O-N 3.42Å; T337-A339 PolarHBondContact O-N 3.2Å; T337-L340 WeakPolarHBondContact O-CB 3.48Å; T337-L340 PolarHBondContact O-N 3.29Å; T337-F341 HydrophobicContact CG2-CD2 4.03Å; T337-F341 HydrophobicContact CG2-CE2 3.76Å; T337-F341 VanDerWaalsContact O-CD2 3.28Å; T337-F341 WeakPolarHBondContact O-CD2 3.32Å; T337-F341 PolarHBondContact O-N 3.3Å; T337-F362 HydrophobicContact CG2-CD1 4.27Å; T337-F362 HydrophobicContact CG2-CD2 4.09Å; T337-F362 HydrophobicContact CG2-CE1 4.02Å; T337-F362 HydrophobicContact CG2-CE2 3.82Å; T337-F362 HydrophobicContact CG2-CG 4.3Å; T337-F362 HydrophobicContact CG2-CZ 3.78Å
338V94.7Very high89.5Confident30 Ų3047 Ų4718%0.18224%0.241CC..Hα-helixtrans-60.8-44.9175175.60000111.1H334 K335 L340 F341 E342 Y359 F362 E363H334-V338 WeakPolarHBondContact O-CG2 3.32Å; H334-V338 PolarHBondContact O-N 3.22Å; K335-V338 PolarHBondContact O-N 3.3Å; V338-L340 VanDerWaalsContact C-N 3.29Å; V338-L340 PolarHBondContact O-N 2.84Å; V338-F341 PolarHBondContact O-N 2.87Å; V338-E342 HydrophobicContact CG1-CG 4.41Å; V338-E342 PolarHBondContact O-N 3.21Å; V338-Y359 HydrophobicContact CG1-CE2 4.27Å; V338-Y359 WeakPolarHBondContact CG1-OH 3.28Å; V338-F362 HydrophobicContact CG2-CD1 4.42Å; V338-F362 HydrophobicContact CG2-CE1 3.7Å; V338-E363 WeakPolarHBondContact CG2-OE1 3.22Å
339A92.2Very high89.8Confident57 Ų5740.5 Ų40.547%0.47121%0.211SC..Hα-helixtrans-61.6-38.8178.500000111.9K335 D336 T337 E342 R343K335-A339 WeakPolarHBondContact O-CB 3.49Å; K335-A339 PolarHBondContact O-N 3.37Å; D336-A339 PolarHBondContact O-N 2.9Å; T337-A339 PolarHBondContact O-N 3.2Å; A339-E342 PolarHBondContact O-N 2.88Å; A339-R343 WeakPolarHBondContact O-CB 3.36Å; A339-R343 PolarHBondContact O-N 2.89Å
340L92.2Very high90.4Very high9 Ų940.7 Ų40.75%0.04721%0.211CC..Hα-helixtrans-64-45176.1-173.365.2000111.6L297 W307 A310 V311 L314 D336 T337 V338 R343 A344L297-L340 HydrophobicContact CD1-CD1 4.34Å; W307-L340 HydrophobicContact CE3-CD1 3.9Å; W307-L340 HydrophobicContact CE3-CG 4.19Å; W307-L340 HydrophobicContact CZ3-CD1 3.65Å; W307-L340 HydrophobicContact CZ3-CG 4.26Å; A310-L340 HydrophobicContact CB-CD2 3.83Å; V311-L340 HydrophobicContact CG2-CD2 3.69Å; V311-L340 HydrophobicContact CG2-CG 4.26Å; L314-L340 HydrophobicContact CD1-CB 4.45Å; L314-L340 HydrophobicContact CD1-CD2 3.84Å; D336-L340 WeakPolarHBondContact O-CB 3.33Å; D336-L340 PolarHBondContact O-N 3.26Å; T337-L340 WeakPolarHBondContact O-CB 3.48Å; T337-L340 PolarHBondContact O-N 3.29Å; V338-L340 VanDerWaalsContact C-N 3.29Å; V338-L340 PolarHBondContact O-N 2.84Å; L340-R343 PolarHBondContact O-N 2.75Å; L340-A344 PolarHBondContact O-N 2.85Å
341F95.2Very high90.9Very high2 Ų246.4 Ų46.41%0.00924%0.236CC..Hα-helixtrans-61.9-47.9174.3-79.5-58.3000112.7V311 T337 V338 R343 A344 I345 I355 L358 Y359 F362V311-F341 HydrophobicContact CB-CE1 4.46Å; V311-F341 HydrophobicContact CB-CZ 4.24Å; V311-F341 HydrophobicContact CG1-CE1 3.95Å; V311-F341 HydrophobicContact CG1-CE2 3.76Å; V311-F341 HydrophobicContact CG1-CZ 3.3Å; V311-F341 HydrophobicContact CG2-CD1 4.14Å; V311-F341 HydrophobicContact CG2-CE1 3.79Å; V311-F341 HydrophobicContact CG2-CE2 4.27Å; V311-F341 HydrophobicContact CG2-CZ 3.89Å; T337-F341 HydrophobicContact CG2-CD2 4.03Å; T337-F341 HydrophobicContact CG2-CE2 3.76Å; T337-F341 VanDerWaalsContact O-CD2 3.28Å; T337-F341 WeakPolarHBondContact O-CD2 3.32Å; T337-F341 PolarHBondContact O-N 3.3Å; V338-F341 PolarHBondContact O-N 2.87Å; F341-R343 VanDerWaalsContact C-N 3.26Å; F341-R343 PolarHBondContact O-N 3.27Å; F341-A344 WeakPolarHBondContact O-CB 3.49Å; F341-A344 PolarHBondContact O-N 3.33Å; F341-A344 VanDerWaalsContact O-N 3.12Å; F341-I345 WeakPolarHBondContact O-CG1 3.32Å; F341-I345 PolarHBondContact O-N 3.49Å; F341-I355 HydrophobicContact CD1-CG2 4.16Å; F341-L358 HydrophobicContact CE1-CB 3.93Å; F341-L358 HydrophobicContact CZ-CB 4.1Å; F341-Y359 HydrophobicContact CB-CD1 3.89Å; F341-Y359 HydrophobicContact CB-CD2 3.73Å; F341-Y359 HydrophobicContact CB-CE1 4.17Å; F341-Y359 HydrophobicContact CB-CE2 4.05Å; F341-Y359 HydrophobicContact CB-CG 3.67Å; F341-Y359 HydrophobicContact CD1-CD2 4.49Å; F341-Y359 HydrophobicContact CD1-CG 4.15Å; F341-Y359 AromaticContact CD2-CD2 3.51Å; F341-Y359 HydrophobicContact CD2-CD2 3.51Å; F341-Y359 HydrophobicContact CD2-CE2 4.19Å; F341-Y359 AromaticContact CD2-CG 3.99Å; F341-Y359 HydrophobicContact CD2-CG 3.99Å; F341-Y359 HydrophobicContact CE2-CD2 4.13Å; F341-Y359 HydrophobicContact CG-CD1 4.41Å; F341-Y359 AromaticContact CG-CD2 3.7Å; F341-Y359 HydrophobicContact CG-CD2 3.7Å; F341-Y359 HydrophobicContact CG-CE2 4.41Å; F341-Y359 AromaticContact CG-CG 3.72Å; F341-Y359 HydrophobicContact CG-CG 3.72Å; F341-F362 HydrophobicContact CD2-CD1 4.37Å; F341-F362 HydrophobicContact CE2-CB 3.79Å; F341-F362 HydrophobicContact CE2-CD1 4.04Å; F341-F362 AromaticContact CE2-CG 3.92Å; F341-F362 HydrophobicContact CE2-CG 3.92Å; F341-F362 HydrophobicContact CZ-CB 4.3Å
342E94.4Very high91.2Very high52 Ų5242.4 Ų42.424%0.24323%0.226CC..Hα-helixtrans-58.6-40.1177.8-79.2-63155.900111.5V338 A339 I345 N346 Y359 R378V338-E342 HydrophobicContact CG1-CG 4.41Å; V338-E342 PolarHBondContact O-N 3.21Å; A339-E342 PolarHBondContact O-N 2.88Å; E342-I345 WeakPolarHBondContact O-CG1 3.1Å; E342-N346 VanDerWaalsContact O-CB 3.26Å; E342-N346 WeakPolarHBondContact O-CB 3.25Å; E342-N346 VanDerWaalsContact O-CG 3.27Å; E342-N346 PolarHBondContact O-N 3.4Å; E342-N346 VanDerWaalsContact O-N 3.07Å; E342-N346 PolarHBondContact O-ND2 3.49Å; E342-Y359 HydrophobicContact CG-CE1 4.49Å; E342-Y359 WeakPolarHBondContact OE1-CE1 3.47Å; E342-Y359 PolarHBondContact OE1-OH 3.01Å; E342-R378 IonicContact OE1-NH1 3.74Å; E342-R378 PolarHBondContact OE1-NH1 3.08Å; E342-R378 IonicContact OE2-CZ 3.18Å; E342-R378 IonicContact OE2-NH1 2.79Å; E342-R378 PolarHBondContact OE2-NH1 3.44Å; E342-R378 IonicContact OE2-NH2 3.69Å; E342-R378 PolarHBondContact OE2-NH2 2.66Å; E342-R378 VanDerWaalsContact OE2-NH2 3.12Å
343R92Very high91.6Very high43 Ų4341 Ų4116%0.16222%0.218CC..Hα-helixtrans-66.1-41.5175.6-169.1175.261.61730.2112E294 W307 A339 L340 F341 N346 S347E294-R343 VanDerWaalsContact CD-NH1 3.31Å; E294-R343 IonicContact OE1-CZ 2.73Å; E294-R343 VanDerWaalsContact OE1-CZ 3.29Å; E294-R343 IonicContact OE1-NH1 2.71Å; E294-R343 PolarHBondContact OE1-NH1 3.13Å; E294-R343 IonicContact OE1-NH2 2.91Å; E294-R343 PolarHBondContact OE1-NH2 2.76Å; E294-R343 IonicContact OE2-CZ 2.72Å; E294-R343 IonicContact OE2-NH1 3.18Å; E294-R343 PolarHBondContact OE2-NH1 3.32Å; E294-R343 IonicContact OE2-NH2 3.67Å; E294-R343 PolarHBondContact OE2-NH2 3.35Å; W307-R343 HydrophobicContact CH2-CG 4.27Å; A339-R343 WeakPolarHBondContact O-CB 3.36Å; A339-R343 PolarHBondContact O-N 2.89Å; L340-R343 PolarHBondContact O-N 2.75Å; F341-R343 VanDerWaalsContact C-N 3.26Å; F341-R343 PolarHBondContact O-N 3.27Å; R343-N346 PolarHBondContact O-N 3.38Å; R343-S347 VanDerWaalsContact O-CB 3.28Å; R343-S347 WeakPolarHBondContact O-CB 3.47Å; R343-S347 PolarHBondContact O-N 2.81Å; R343-S347 VanDerWaalsContact O-N 3.12Å; R343-S347 PolarHBondContact O-OG 3.26Å
344A93.6Very high92.1Very high1 Ų145 Ų451%0.00824%0.238CC..Hα-helixtrans-59-51.5177.300000111.4W307 L340 F341 N346 S347 M349 I355W307-A344 HydrophobicContact CD2-CB 3.81Å; W307-A344 HydrophobicContact CE3-CB 3.52Å; W307-A344 HydrophobicContact CH2-CB 4.08Å; W307-A344 HydrophobicContact CZ2-CB 4.34Å; W307-A344 HydrophobicContact CZ3-CB 3.66Å; L340-A344 PolarHBondContact O-N 2.85Å; F341-A344 WeakPolarHBondContact O-CB 3.49Å; F341-A344 PolarHBondContact O-N 3.33Å; F341-A344 VanDerWaalsContact O-N 3.12Å; A344-N346 VanDerWaalsContact C-N 3.32Å; A344-N346 PolarHBondContact O-N 3.39Å; A344-S347 PolarHBondContact O-N 3.43Å; A344-S347 PolarHBondContact O-OG 3.04Å; A344-M349 HydrophobicContact CB-CB 4.18Å; A344-M349 CarbonylContact O-C 3.57Å; A344-M349 WeakPolarHBondContact O-CA 3.29Å; A344-M349 VanDerWaalsContact O-CB 3.32Å; A344-M349 WeakPolarHBondContact O-CB 3.49Å; A344-M349 PolarHBondContact O-N 3.05Å; A344-M349 VanDerWaalsContact O-N 3.08Å; A344-I355 HydrophobicContact CB-CG2 3.93Å
345I93.5Very high92.4Very high4 Ų443.2 Ų43.22%0.02123%0.23CC..Hα-helixtrans-73.1-21.4-17666.7-178.9000113.8F341 E342 S350 I355 Y356 Y359 R378F341-I345 WeakPolarHBondContact O-CG1 3.32Å; F341-I345 PolarHBondContact O-N 3.49Å; E342-I345 WeakPolarHBondContact O-CG1 3.1Å; I345-S350 VanDerWaalsContact O-CA 3.25Å; I345-S350 WeakPolarHBondContact O-CA 3.32Å; I345-S350 WeakPolarHBondContact O-CB 3.26Å; I345-I355 HydrophobicContact CG2-CG2 3.75Å; I345-Y356 HydrophobicContact CB-CE1 4.28Å; I345-Y356 HydrophobicContact CB-CE2 4.01Å; I345-Y356 HydrophobicContact CD1-CE1 4.38Å; I345-Y356 HydrophobicContact CG2-CD1 4.4Å; I345-Y356 HydrophobicContact CG2-CD2 3.95Å; I345-Y356 HydrophobicContact CG2-CE1 4.1Å; I345-Y356 HydrophobicContact CG2-CE2 3.61Å; I345-Y356 HydrophobicContact CG2-CG 4.34Å; I345-Y359 HydrophobicContact CD1-CD1 4.18Å; I345-Y359 HydrophobicContact CD1-CE1 3.99Å; I345-R378 VanDerWaalsContact CD1-NH1 3.34Å
346N90.3Very high92.6Very high108 Ų10836.9 Ų36.958%0.57820%0.202SC*.Hα-helixtrans-86.5-16.5174.5-76.2-39.7000113.8E342 R343 A344 R378E342-N346 VanDerWaalsContact O-CB 3.26Å; E342-N346 WeakPolarHBondContact O-CB 3.25Å; E342-N346 VanDerWaalsContact O-CG 3.27Å; E342-N346 PolarHBondContact O-N 3.4Å; E342-N346 VanDerWaalsContact O-N 3.07Å; E342-N346 PolarHBondContact O-ND2 3.49Å; R343-N346 PolarHBondContact O-N 3.38Å; A344-N346 VanDerWaalsContact C-N 3.32Å; A344-N346 PolarHBondContact O-N 3.39Å; N346-R378 VanDerWaalsContact CG-NH2 3.27Å; N346-R378 PolarHBondContact ND2-NH2 2.87Å; N346-R378 PolarHBondContact OD1-NH2 3.08Å
347S85.6Confident93Very high37 Ų3732.7 Ų32.726%0.25918%0.181SC..THydrogen-bonded Turntrans-110.5-121.7-175.6660000111.9R343 A344 M349R343-S347 VanDerWaalsContact O-CB 3.28Å; R343-S347 WeakPolarHBondContact O-CB 3.47Å; R343-S347 PolarHBondContact O-N 2.81Å; R343-S347 VanDerWaalsContact O-N 3.12Å; R343-S347 PolarHBondContact O-OG 3.26Å; A344-S347 PolarHBondContact O-N 3.43Å; A344-S347 PolarHBondContact O-OG 3.04Å; S347-M349 PolarHBondContact O-N 3.46Å
348S86.8Confident93.2Very high23 Ų2335 Ų3516%0.16119%0.193CC..THydrogen-bonded Turntrans-70.8-26.7-174.748.70000113.9S301S301-S348 WeakPolarHBondContact O-CB 3.37Å; S301-S348 PolarHBondContact O-OG 3.35Å
349M91.6Very high93.3Very high4 Ų434.2 Ų34.22%0.0219%0.187CC..THydrogen-bonded Turntrans-95.514-174.5-65.1-68.2162.400114S301 F302 V304 W307 A344 S347 K351 T352 I355S301-M349 WeakPolarHBondContact O-CE 3.35Å; F302-M349 WeakPolarHBondContact O-CE 3.49Å; V304-M349 HydrophobicContact CB-CE 4.21Å; V304-M349 HydrophobicContact CB-SD 4.29Å; V304-M349 HydrophobicContact CG2-SD 4.38Å; W307-M349 HydrophobicContact CG-CG 4.39Å; A344-M349 HydrophobicContact CB-CB 4.18Å; A344-M349 CarbonylContact O-C 3.57Å; A344-M349 WeakPolarHBondContact O-CA 3.29Å; A344-M349 VanDerWaalsContact O-CB 3.32Å; A344-M349 WeakPolarHBondContact O-CB 3.49Å; A344-M349 PolarHBondContact O-N 3.05Å; A344-M349 VanDerWaalsContact O-N 3.08Å; S347-M349 PolarHBondContact O-N 3.46Å; M349-K351 PolarHBondContact O-N 3.46Å; M349-T352 PolarHBondContact O-N 3.29Å; M349-T352 HydrophobicContact SD-CG2 4.18Å; M349-T352 PolarHBondContact SD-OG1 2.98Å; M349-T352 VanDerWaalsContact SD-OG1 3.4Å; M349-I355 HydrophobicContact CB-CG1 4.08Å; M349-I355 HydrophobicContact CG-CG1 4.25Å; M349-I355 HydrophobicContact SD-CG1 4.5Å
350S92.2Very high93.5Very high22 Ų2231.5 Ų31.515%0.15416%0.164CC..THydrogen-bonded Turntrans-59.9-17.6-175.763.10000115.7I345 Y356 R382I345-S350 VanDerWaalsContact O-CA 3.25Å; I345-S350 WeakPolarHBondContact O-CA 3.32Å; I345-S350 WeakPolarHBondContact O-CB 3.26Å; S350-Y356 PolarHBondContact O-OH 3.27Å; S350-R382 VanDerWaalsContact O-CD 3.32Å; S350-R382 WeakPolarHBondContact O-CD 3.49Å; S350-R382 PolarHBondContact O-NE 2.93Å
351K92.8Very high93.7Very high121 Ų12135.3 Ų35.353%0.52618%0.182SC..THydrogen-bonded Turntrans-107.6-2.5177.7-50.4-169.1-164-152.40114M349 L353 D384 V385M349-K351 PolarHBondContact O-N 3.46Å; K351-L353 PolarHBondContact O-N 3.05Å; K351-D384 WeakPolarHBondContact CD-OD2 3.41Å; K351-D384 WeakPolarHBondContact CE-OD2 3.37Å; K351-D384 IonicContact NZ-OD2 2.68Å; K351-D384 PolarHBondContact NZ-OD2 2.92Å; K351-V385 HydrophobicContact CB-CG1 4.15Å; K351-V385 HydrophobicContact CG-CG1 4.41Å
352T94.8Very high93.7Very high44 Ų4435.4 Ų35.427%0.2718%0.182SC..  trans-91.399.5-171.3-570000110.2V304 M349 L354 I355 Y356V304-T352 HydrophobicContact CG2-CG2 4Å; M349-T352 PolarHBondContact O-N 3.29Å; M349-T352 HydrophobicContact SD-CG2 4.18Å; M349-T352 PolarHBondContact SD-OG1 2.98Å; M349-T352 VanDerWaalsContact SD-OG1 3.4Å; T352-L354 HydrophobicContact CG2-CB 4.17Å; T352-L354 PolarHBondContact O-N 3.2Å; T352-L354 VanDerWaalsContact O-N 3.13Å; T352-I355 HydrophobicContact CG2-CG1 4.23Å; T352-I355 PolarHBondContact O-N 3.4Å; T352-Y356 WeakPolarHBondContact O-CD2 3.43Å
353L95.2Very high93.8Very high25 Ų2533 Ų3313%0.13117%0.171CC..Hα-helixtrans-54.5-34.4-178.5178.460.2000113.2K351 I355 Y356 C357 F379 L389 A390K351-L353 PolarHBondContact O-N 3.05Å; L353-I355 VanDerWaalsContact C-N 3.29Å; L353-I355 PolarHBondContact O-N 3.28Å; L353-Y356 WeakPolarHBondContact O-CB 3.3Å; L353-Y356 PolarHBondContact O-N 3.2Å; L353-C357 PolarHBondContact O-N 3.42Å; L353-F379 HydrophobicContact CB-CE1 4.31Å; L353-F379 HydrophobicContact CB-CE2 4.18Å; L353-F379 HydrophobicContact CB-CZ 3.82Å; L353-F379 HydrophobicContact CD1-CD1 3.97Å; L353-F379 HydrophobicContact CD1-CE1 3.91Å; L353-F379 HydrophobicContact CD1-CE2 4.48Å; L353-F379 HydrophobicContact CD1-CG 4.28Å; L353-F379 HydrophobicContact CD1-CZ 4.17Å; L353-L389 HydrophobicContact CD2-CB 3.65Å; L353-L389 HydrophobicContact CD2-CD2 3.75Å; L353-L389 HydrophobicContact CD2-CG 3.52Å; L353-A390 HydrophobicContact CD1-CB 3.77Å; L353-A390 HydrophobicContact CD2-CB 4.42Å
354L95.5Very high93.9Very high91 Ų9132.7 Ų32.748%0.47617%0.172SC..Hα-helixtrans-54.7-43.6-179.5-178.660.4000112.5V304 T352 Y356 C357 L358V304-L354 HydrophobicContact CG2-CD2 4.08Å; T352-L354 HydrophobicContact CG2-CB 4.17Å; T352-L354 PolarHBondContact O-N 3.2Å; T352-L354 VanDerWaalsContact O-N 3.13Å; L354-Y356 VanDerWaalsContact C-N 3.34Å; L354-Y356 PolarHBondContact O-N 2.89Å; L354-C357 PolarHBondContact O-N 2.89Å; L354-L358 HydrophobicContact CD1-CD1 4.5Å; L354-L358 HydrophobicContact CD1-CG 4.47Å; L354-L358 HydrophobicContact CG-CD1 4.3Å; L354-L358 WeakPolarHBondContact O-CG 3.24Å; L354-L358 PolarHBondContact O-N 3.48Å
355I95.8Very high93.9Very high2 Ų236.9 Ų36.91%0.0120%0.201CC..Hα-helixtrans-65.3-38.5178.4-64.6-61.6000111.2V304 W307 F341 A344 I345 M349 T352 L353 L358 Y359V304-I355 HydrophobicContact CG2-CD1 3.77Å; V304-I355 HydrophobicContact CG2-CG1 3.98Å; W307-I355 HydrophobicContact CB-CD1 3.92Å; F341-I355 HydrophobicContact CD1-CG2 4.16Å; A344-I355 HydrophobicContact CB-CG2 3.93Å; I345-I355 HydrophobicContact CG2-CG2 3.75Å; M349-I355 HydrophobicContact CB-CG1 4.08Å; M349-I355 HydrophobicContact CG-CG1 4.25Å; M349-I355 HydrophobicContact SD-CG1 4.5Å; T352-I355 HydrophobicContact CG2-CG1 4.23Å; T352-I355 PolarHBondContact O-N 3.4Å; L353-I355 VanDerWaalsContact C-N 3.29Å; L353-I355 PolarHBondContact O-N 3.28Å; I355-L358 PolarHBondContact O-N 2.64Å; I355-Y359 WeakPolarHBondContact O-CB 3.47Å; I355-Y359 PolarHBondContact O-N 3.44Å
356Y97Very high93.7Very high3 Ų338 Ų381%0.01221%0.209CC..Hα-helixtrans-66.8-38.9176.1-74.7-100.6000111.9I345 S350 T352 L353 L354 Y359 A360 I375 F379I345-Y356 HydrophobicContact CB-CE1 4.28Å; I345-Y356 HydrophobicContact CB-CE2 4.01Å; I345-Y356 HydrophobicContact CD1-CE1 4.38Å; I345-Y356 HydrophobicContact CG2-CD1 4.4Å; I345-Y356 HydrophobicContact CG2-CD2 3.95Å; I345-Y356 HydrophobicContact CG2-CE1 4.1Å; I345-Y356 HydrophobicContact CG2-CE2 3.61Å; I345-Y356 HydrophobicContact CG2-CG 4.34Å; S350-Y356 PolarHBondContact O-OH 3.27Å; T352-Y356 WeakPolarHBondContact O-CD2 3.43Å; L353-Y356 WeakPolarHBondContact O-CB 3.3Å; L353-Y356 PolarHBondContact O-N 3.2Å; L354-Y356 VanDerWaalsContact C-N 3.34Å; L354-Y356 PolarHBondContact O-N 2.89Å; Y356-Y359 PolarHBondContact O-N 3.3Å; Y356-A360 VanDerWaalsContact O-CB 3.29Å; Y356-A360 WeakPolarHBondContact O-CB 3.47Å; Y356-A360 PolarHBondContact O-N 3.44Å; Y356-I375 HydrophobicContact CD1-CG2 3.85Å; Y356-I375 WeakPolarHBondContact O-CG2 3.38Å; Y356-F379 HydrophobicContact CD1-CB 3.7Å; Y356-F379 HydrophobicContact CD1-CD2 4.16Å; Y356-F379 HydrophobicContact CD1-CG 4.37Å; Y356-F379 AromaticContact CD2-CD2 3.52Å; Y356-F379 HydrophobicContact CD2-CD2 3.52Å; Y356-F379 HydrophobicContact CD2-CE2 4.12Å; Y356-F379 HydrophobicContact CD2-CG 4.4Å; Y356-F379 HydrophobicContact CE1-CB 3.84Å; Y356-F379 HydrophobicContact CE1-CD2 4.18Å; Y356-F379 AromaticContact CE2-CD2 3.54Å; Y356-F379 HydrophobicContact CE2-CD2 3.54Å; Y356-F379 HydrophobicContact CE2-CE2 4.18Å; Y356-F379 HydrophobicContact CG-CB 4.08Å; Y356-F379 AromaticContact CG-CD2 3.83Å; Y356-F379 HydrophobicContact CG-CD2 3.83Å; Y356-F379 HydrophobicContact CG-CG 4.28Å; Y356-F379 AromaticContact CZ-CD2 3.87Å
357C96.2Very high93.8Very high9 Ų939 Ų396%0.06121%0.214CC..Hα-helixtrans-64-46.7174.8-70.30000111.4L353 L354 Y359 A360 E361L353-C357 PolarHBondContact O-N 3.42Å; L354-C357 PolarHBondContact O-N 2.89Å; C357-Y359 VanDerWaalsContact C-N 3.33Å; C357-Y359 PolarHBondContact O-N 3.06Å; C357-A360 WeakPolarHBondContact O-CB 3.49Å; C357-A360 PolarHBondContact O-N 2.97Å; C357-E361 WeakPolarHBondContact O-CG 3.31Å; C357-E361 PolarHBondContact O-N 3.41Å
358L96.1Very high94.2Very high48 Ų4841.7 Ų41.725%0.25122%0.218SC..Hα-helixtrans-62.9-39.1177-69.1173.2000112.3C308 F341 L354 I355 E361 F362C308-L358 HydrophobicContact CB-CD1 4.44Å; C308-L358 WeakPolarHBondContact SG-CD1 3.34Å; F341-L358 HydrophobicContact CE1-CB 3.93Å; F341-L358 HydrophobicContact CZ-CB 4.1Å; L354-L358 HydrophobicContact CD1-CD1 4.5Å; L354-L358 HydrophobicContact CD1-CG 4.47Å; L354-L358 HydrophobicContact CG-CD1 4.3Å; L354-L358 WeakPolarHBondContact O-CG 3.24Å; L354-L358 PolarHBondContact O-N 3.48Å; I355-L358 PolarHBondContact O-N 2.64Å; L358-E361 PolarHBondContact O-N 3.16Å; L358-F362 WeakPolarHBondContact O-CB 3.45Å; L358-F362 PolarHBondContact O-N 3.14Å
359Y97Very high94.5Very high13 Ų1343 Ų435%0.05122%0.224CC..Hα-helixtrans-66.2-42.1176.1-173.9-163.4000111.6V338 F341 E342 I345 I355 Y356 C357 F362 E363 I375V338-Y359 HydrophobicContact CG1-CE2 4.27Å; V338-Y359 WeakPolarHBondContact CG1-OH 3.28Å; F341-Y359 HydrophobicContact CB-CD1 3.89Å; F341-Y359 HydrophobicContact CB-CD2 3.73Å; F341-Y359 HydrophobicContact CB-CE1 4.17Å; F341-Y359 HydrophobicContact CB-CE2 4.05Å; F341-Y359 HydrophobicContact CB-CG 3.67Å; F341-Y359 HydrophobicContact CD1-CD2 4.49Å; F341-Y359 HydrophobicContact CD1-CG 4.15Å; F341-Y359 AromaticContact CD2-CD2 3.51Å; F341-Y359 HydrophobicContact CD2-CD2 3.51Å; F341-Y359 HydrophobicContact CD2-CE2 4.19Å; F341-Y359 AromaticContact CD2-CG 3.99Å; F341-Y359 HydrophobicContact CD2-CG 3.99Å; F341-Y359 HydrophobicContact CE2-CD2 4.13Å; F341-Y359 HydrophobicContact CG-CD1 4.41Å; F341-Y359 AromaticContact CG-CD2 3.7Å; F341-Y359 HydrophobicContact CG-CD2 3.7Å; F341-Y359 HydrophobicContact CG-CE2 4.41Å; F341-Y359 AromaticContact CG-CG 3.72Å; F341-Y359 HydrophobicContact CG-CG 3.72Å; E342-Y359 HydrophobicContact CG-CE1 4.49Å; E342-Y359 WeakPolarHBondContact OE1-CE1 3.47Å; E342-Y359 PolarHBondContact OE1-OH 3.01Å; I345-Y359 HydrophobicContact CD1-CD1 4.18Å; I345-Y359 HydrophobicContact CD1-CE1 3.99Å; I355-Y359 WeakPolarHBondContact O-CB 3.47Å; I355-Y359 PolarHBondContact O-N 3.44Å; Y356-Y359 PolarHBondContact O-N 3.3Å; C357-Y359 VanDerWaalsContact C-N 3.33Å; C357-Y359 PolarHBondContact O-N 3.06Å; Y359-F362 PolarHBondContact O-N 2.92Å; Y359-E363 HydrophobicContact CD2-CG 3.98Å; Y359-E363 HydrophobicContact CE2-CG 3.68Å; Y359-E363 PolarHBondContact O-N 3.4Å; Y359-I375 HydrophobicContact CD1-CD1 3.59Å; Y359-I375 HydrophobicContact CD1-CG1 3.73Å; Y359-I375 HydrophobicContact CD1-CG2 4.08Å; Y359-I375 HydrophobicContact CD2-CD1 3.77Å; Y359-I375 HydrophobicContact CE1-CD1 3.73Å; Y359-I375 HydrophobicContact CE1-CG1 3.72Å; Y359-I375 HydrophobicContact CE2-CD1 3.88Å; Y359-I375 HydrophobicContact CG-CD1 3.61Å; Y359-I375 HydrophobicContact CG-CG1 4.26Å
360A96.8Very high94.7Very high0 Ų046.5 Ų46.50%025%0.253CS..Hα-helixtrans-60.9-44.6173.900000112Y356 C357 F362 E363 E364 V372 I375 Y376Y356-A360 VanDerWaalsContact O-CB 3.29Å; Y356-A360 WeakPolarHBondContact O-CB 3.47Å; Y356-A360 PolarHBondContact O-N 3.44Å; C357-A360 WeakPolarHBondContact O-CB 3.49Å; C357-A360 PolarHBondContact O-N 2.97Å; A360-F362 VanDerWaalsContact C-N 3.34Å; A360-F362 PolarHBondContact O-N 3.01Å; A360-E363 PolarHBondContact O-N 3.37Å; A360-E364 VanDerWaalsContact O-CB 3.32Å; A360-E364 WeakPolarHBondContact O-CB 3.38Å; A360-E364 PolarHBondContact O-N 2.99Å; A360-V372 HydrophobicContact CB-CG1 3.86Å; A360-V372 WeakPolarHBondContact O-CG2 3.32Å; A360-I375 HydrophobicContact CB-CG2 4.35Å; A360-Y376 HydrophobicContact CB-CD2 4.39Å; A360-Y376 HydrophobicContact CB-CE1 4.43Å; A360-Y376 HydrophobicContact CB-CE2 3.67Å
361E95.8Very high94.9Very high89 Ų8948.7 Ų48.742%0.41626%0.263SS..Hα-helixtrans-63-39.3177-74.2171-175.100112.1C357 L358 E364 S365C357-E361 WeakPolarHBondContact O-CG 3.31Å; C357-E361 PolarHBondContact O-N 3.41Å; L358-E361 PolarHBondContact O-N 3.16Å; E361-E364 PolarHBondContact O-N 3.42Å; E361-S365 PolarHBondContact O-N 3.32Å
362F95.5Very high95.1Very high4 Ų443 Ų432%0.01824%0.238CC..Hα-helixtrans-66.6-43174.9175.4-100.4000113Q315 H334 T337 V338 F341 L358 Y359 A360 E364 S365 C366Q315-F362 HydrophobicContact CG-CD2 3.81Å; Q315-F362 HydrophobicContact CG-CE2 3.92Å; H334-F362 HydrophobicContact CB-CZ 4.2Å; T337-F362 HydrophobicContact CG2-CD1 4.27Å; T337-F362 HydrophobicContact CG2-CD2 4.09Å; T337-F362 HydrophobicContact CG2-CE1 4.02Å; T337-F362 HydrophobicContact CG2-CE2 3.82Å; T337-F362 HydrophobicContact CG2-CG 4.3Å; T337-F362 HydrophobicContact CG2-CZ 3.78Å; V338-F362 HydrophobicContact CG2-CD1 4.42Å; V338-F362 HydrophobicContact CG2-CE1 3.7Å; F341-F362 HydrophobicContact CD2-CD1 4.37Å; F341-F362 HydrophobicContact CE2-CB 3.79Å; F341-F362 HydrophobicContact CE2-CD1 4.04Å; F341-F362 AromaticContact CE2-CG 3.92Å; F341-F362 HydrophobicContact CE2-CG 3.92Å; F341-F362 HydrophobicContact CZ-CB 4.3Å; L358-F362 WeakPolarHBondContact O-CB 3.45Å; L358-F362 PolarHBondContact O-N 3.14Å; Y359-F362 PolarHBondContact O-N 2.92Å; A360-F362 VanDerWaalsContact C-N 3.34Å; A360-F362 PolarHBondContact O-N 3.01Å; F362-E364 VanDerWaalsContact C-N 3.31Å; F362-S365 PolarHBondContact O-N 3.22Å; F362-S365 PolarHBondContact O-OG 3.47Å; F362-C366 PolarHBondContact O-N 3.32Å; F362-C366 PolarHBondContact O-SG 3.24Å; F362-C366 VanDerWaalsContact O-SG 3.36Å
363E95.7Very high95.2Very high1 Ų141.7 Ų41.71%0.00523%0.229CC..Hα-helixtrans-69.6-31.2175.9-73.5-66.9150.800112V338 Y359 A360 C366 N367 R368 N371 V372 I375V338-E363 WeakPolarHBondContact CG2-OE1 3.22Å; Y359-E363 HydrophobicContact CD2-CG 3.98Å; Y359-E363 HydrophobicContact CE2-CG 3.68Å; Y359-E363 PolarHBondContact O-N 3.4Å; A360-E363 PolarHBondContact O-N 3.37Å; E363-C366 PolarHBondContact O-N 3.31Å; E363-N367 PolarHBondContact O-N 2.73Å; E363-R368 PolarHBondContact O-N 2.97Å; E363-R368 IonicContact OE1-NH1 3.2Å; E363-R368 PolarHBondContact OE1-NH1 3.39Å; E363-R368 VanDerWaalsContact OE2-CB 3.3Å; E363-R368 WeakPolarHBondContact OE2-CB 3.48Å; E363-R368 VanDerWaalsContact OE2-CD 3.29Å; E363-R368 WeakPolarHBondContact OE2-CD 3.43Å; E363-R368 IonicContact OE2-CZ 3.45Å; E363-R368 IonicContact OE2-NE 3.54Å; E363-R368 IonicContact OE2-NH1 2.81Å; E363-R368 PolarHBondContact OE2-NH1 2.96Å; E363-N371 HydrophobicContact CB-CB 4.17Å; E363-N371 HydrophobicContact CG-CB 4Å; E363-N371 PolarHBondContact OE2-ND2 3.1Å; E363-V372 HydrophobicContact CB-CG2 3.9Å; E363-I375 HydrophobicContact CB-CD1 4.28Å; E363-I375 HydrophobicContact CG-CD1 3.84Å
364E95Very high95.3Very high38 Ų3843.1 Ų43.118%0.17824%0.244CC..Hα-helixtrans-65.4-45171.1-174.4176.9176.500111.7A360 E361 F362 C366 N367 L369 V372 F397 R400 T401A360-E364 VanDerWaalsContact O-CB 3.32Å; A360-E364 WeakPolarHBondContact O-CB 3.38Å; A360-E364 PolarHBondContact O-N 2.99Å; E361-E364 PolarHBondContact O-N 3.42Å; F362-E364 VanDerWaalsContact C-N 3.31Å; E364-C366 VanDerWaalsContact C-N 3.25Å; E364-C366 PolarHBondContact O-N 2.97Å; E364-N367 WeakPolarHBondContact O-CA 3.35Å; E364-N367 PolarHBondContact O-N 3.2Å; E364-L369 HydrophobicContact CG-CD2 4.38Å; E364-V372 HydrophobicContact CB-CG2 4.11Å; E364-F397 HydrophobicContact CG-CD2 4.48Å; E364-F397 HydrophobicContact CG-CE2 4.25Å; E364-R400 IonicContact OE1-CZ 3.94Å; E364-R400 IonicContact OE1-NE 3.47Å; E364-R400 PolarHBondContact OE1-NE 3.01Å; E364-R400 IonicContact OE1-NH2 2.97Å; E364-R400 PolarHBondContact OE1-NH2 3.47Å; E364-R400 IonicContact OE2-CZ 2.7Å; E364-R400 IonicContact OE2-NH2 3.55Å; E364-R400 PolarHBondContact OE2-NH2 2.93Å; E364-T401 HydrophobicContact CG-CG2 4.49Å
365S92.3Very high95.3Very high89 Ų8939.2 Ų39.262%0.62222%0.224SC*.Hα-helixtrans-64.6-31.1176.776.60000112.5E361 F362 N367E361-S365 PolarHBondContact O-N 3.32Å; F362-S365 PolarHBondContact O-N 3.22Å; F362-S365 PolarHBondContact O-OG 3.47Å; S365-N367 PolarHBondContact O-N 3.34Å
366C90.6Very high95.4Very high27 Ų2739.4 Ų39.418%0.18222%0.224CC..THydrogen-bonded Turntrans-76.42170.7-70.60000114.3F362 E363 E364 R368F362-C366 PolarHBondContact O-N 3.32Å; F362-C366 PolarHBondContact O-SG 3.24Å; F362-C366 VanDerWaalsContact O-SG 3.36Å; E363-C366 PolarHBondContact O-N 3.31Å; E364-C366 VanDerWaalsContact C-N 3.25Å; E364-C366 PolarHBondContact O-N 2.97Å; C366-R368 VanDerWaalsContact C-N 3.31Å; C366-R368 HydrophobicContact CB-CG 4.13Å; C366-R368 WeakPolarHBondContact O-CG 3.46Å; C366-R368 PolarHBondContact O-N 3.13Å
367N91.9Very high95.4Very high130 Ų13046.2 Ų46.270%0.69525%0.25SS*.THydrogen-bonded Turntrans57.735-176.1-16328.6000114.3E363 E364 S365E363-N367 PolarHBondContact O-N 2.73Å; E364-N367 WeakPolarHBondContact O-CA 3.35Å; E364-N367 PolarHBondContact O-N 3.2Å; S365-N367 PolarHBondContact O-N 3.34Å
368R93.7Very high95.4Very high92 Ų9249.7 Ų49.735%0.34726%0.262SS..  trans-108.662179.1-54.3-168.7-143.2131.41.5111.1E363 C366 A370 N371E363-R368 PolarHBondContact O-N 2.97Å; E363-R368 IonicContact OE1-NH1 3.2Å; E363-R368 PolarHBondContact OE1-NH1 3.39Å; E363-R368 VanDerWaalsContact OE2-CB 3.3Å; E363-R368 WeakPolarHBondContact OE2-CB 3.48Å; E363-R368 VanDerWaalsContact OE2-CD 3.29Å; E363-R368 WeakPolarHBondContact OE2-CD 3.43Å; E363-R368 IonicContact OE2-CZ 3.45Å; E363-R368 IonicContact OE2-NE 3.54Å; E363-R368 IonicContact OE2-NH1 2.81Å; E363-R368 PolarHBondContact OE2-NH1 2.96Å; C366-R368 VanDerWaalsContact C-N 3.31Å; C366-R368 HydrophobicContact CB-CG 4.13Å; C366-R368 WeakPolarHBondContact O-CG 3.46Å; C366-R368 PolarHBondContact O-N 3.13Å; R368-A370 PolarHBondContact O-N 3.47Å; R368-A370 VanDerWaalsContact O-N 3.11Å; R368-N371 HydrophobicContact CB-CB 4.39Å; R368-N371 WeakPolarHBondContact O-CB 3.37Å; R368-N371 PolarHBondContact O-N 3.23Å
369L94.2Very high95.4Very high52 Ų5247.7 Ų47.727%0.27225%0.251SS..Hα-helixtrans-56-34.6-171.4-53.3-176.4000114E364 N371 V372 H373 F397 T401E364-L369 HydrophobicContact CG-CD2 4.38Å; L369-N371 VanDerWaalsContact C-N 3.26Å; L369-N371 PolarHBondContact O-N 3.15Å; L369-V372 WeakPolarHBondContact O-CB 3.49Å; L369-V372 PolarHBondContact O-N 3.3Å; L369-V372 VanDerWaalsContact O-N 3.14Å; L369-H373 PolarHBondContact O-CD2 3.13Å; L369-H373 VanDerWaalsContact O-CD2 3.22Å; L369-H373 PolarHBondContact O-N 2.88Å; L369-F397 HydrophobicContact CB-CZ 4.36Å; L369-F397 HydrophobicContact CD2-CE2 4.09Å; L369-F397 HydrophobicContact CD2-CZ 4.3Å; L369-T401 HydrophobicContact CD2-CG2 4.12Å
370A95.2Very high95.3Very high76 Ų7647.8 Ų47.863%0.62825%0.252SS*.Hα-helixtrans-59.8-36176.800000112.8R368 H373 A374R368-A370 PolarHBondContact O-N 3.47Å; R368-A370 VanDerWaalsContact O-N 3.11Å; A370-H373 PolarHBondContact O-N 3.41Å; A370-A374 PolarHBondContact O-N 3.49Å
371N95.6Very high95.3Very high69 Ų6952.1 Ų52.137%0.36928%0.283SS..Hα-helixtrans-68.4-38177.8-66.2-11.7000110.8E363 R368 L369 H373 A374 I375E363-N371 HydrophobicContact CB-CB 4.17Å; E363-N371 HydrophobicContact CG-CB 4Å; E363-N371 PolarHBondContact OE2-ND2 3.1Å; R368-N371 HydrophobicContact CB-CB 4.39Å; R368-N371 WeakPolarHBondContact O-CB 3.37Å; R368-N371 PolarHBondContact O-N 3.23Å; L369-N371 VanDerWaalsContact C-N 3.26Å; L369-N371 PolarHBondContact O-N 3.15Å; N371-H373 VanDerWaalsContact C-N 3.32Å; N371-H373 PolarHBondContact O-N 3.19Å; N371-A374 WeakPolarHBondContact O-CA 3.27Å; N371-A374 WeakPolarHBondContact O-CB 3.46Å; N371-A374 PolarHBondContact O-N 2.96Å; N371-I375 VanDerWaalsContact O-CG1 3.3Å; N371-I375 WeakPolarHBondContact O-CG1 3.22Å; N371-I375 PolarHBondContact O-N 2.87Å
372V97.1Very high95.1Very high0 Ų051.1 Ų51.10%028%0.275CS..Hα-helixtrans-57.9-44.3177.4-176.20000111.4A360 E363 E364 L369 A374 I375 Y376 F397A360-V372 HydrophobicContact CB-CG1 3.86Å; A360-V372 WeakPolarHBondContact O-CG2 3.32Å; E363-V372 HydrophobicContact CB-CG2 3.9Å; E364-V372 HydrophobicContact CB-CG2 4.11Å; L369-V372 WeakPolarHBondContact O-CB 3.49Å; L369-V372 PolarHBondContact O-N 3.3Å; L369-V372 VanDerWaalsContact O-N 3.14Å; V372-A374 VanDerWaalsContact C-N 3.33Å; V372-A374 PolarHBondContact O-N 3.1Å; V372-I375 PolarHBondContact O-N 3.36Å; V372-Y376 HydrophobicContact CG1-CD2 3.86Å; V372-Y376 HydrophobicContact CG1-CE2 3.66Å; V372-Y376 WeakPolarHBondContact O-CD2 3.48Å; V372-Y376 PolarHBondContact O-N 3.08Å; V372-Y376 VanDerWaalsContact O-N 3.16Å; V372-F397 HydrophobicContact CB-CD2 4.48Å; V372-F397 HydrophobicContact CB-CE1 4.1Å; V372-F397 HydrophobicContact CB-CE2 3.85Å; V372-F397 HydrophobicContact CB-CZ 3.63Å; V372-F397 HydrophobicContact CG1-CD1 3.86Å; V372-F397 HydrophobicContact CG1-CD2 3.66Å; V372-F397 HydrophobicContact CG1-CE1 3.74Å; V372-F397 HydrophobicContact CG1-CE2 3.52Å; V372-F397 HydrophobicContact CG1-CG 3.82Å; V372-F397 HydrophobicContact CG1-CZ 3.56Å; V372-F397 HydrophobicContact CG2-CE2 4.05Å; V372-F397 HydrophobicContact CG2-CZ 4.21Å
373H97Very high94.9Very high18 Ų1856 Ų568%0.08331%0.31CS..Hα-helixtrans-60.2-41.6173.4-70.3-79.4000112.6L369 A370 N371 R377 Y394 F397 E402L369-H373 PolarHBondContact O-CD2 3.13Å; L369-H373 VanDerWaalsContact O-CD2 3.22Å; L369-H373 PolarHBondContact O-N 2.88Å; A370-H373 PolarHBondContact O-N 3.41Å; N371-H373 VanDerWaalsContact C-N 3.32Å; N371-H373 PolarHBondContact O-N 3.19Å; H373-R377 VanDerWaalsContact O-CB 3.31Å; H373-R377 WeakPolarHBondContact O-CB 3.38Å; H373-R377 WeakPolarHBondContact O-CD 3.4Å; H373-R377 WeakPolarHBondContact O-CG 3.45Å; H373-R377 PolarHBondContact O-N 3.06Å; H373-Y394 AromaticContact CE1-CE2 3.93Å; H373-Y394 AromaticContact ND1-CE2 3.28Å; H373-Y394 VanDerWaalsContact ND1-CE2 3.28Å; H373-Y394 WeakPolarHBondContact ND1-CE2 3.31Å; H373-Y394 AromaticContact ND1-CZ 3.46Å; H373-Y394 PolarHBondContact ND1-OH 3.33Å; H373-F397 AromaticContact CE1-CE1 3.76Å; H373-F397 AromaticContact NE2-CE1 3.64Å; H373-E402 IonicContact CE1-OE1 3.29Å; H373-E402 IonicContact CE1-OE2 3.11Å; H373-E402 PolarHBondContact CE1-OE2 3.45Å; H373-E402 VanDerWaalsContact CE1-OE2 3.25Å; H373-E402 IonicContact NE2-OE1 3.39Å; H373-E402 PolarHBondContact NE2-OE1 3.39Å; H373-E402 IonicContact NE2-OE2 3.47Å; H373-E402 PolarHBondContact NE2-OE2 3.2Å
374A96.9Very high94.6Very high55 Ų5559.4 Ų59.446%0.45533%0.328SS..Hα-helixtrans-64.2-41.3179.200000111.5A370 N371 V372 R377 R378A370-A374 PolarHBondContact O-N 3.49Å; N371-A374 WeakPolarHBondContact O-CA 3.27Å; N371-A374 WeakPolarHBondContact O-CB 3.46Å; N371-A374 PolarHBondContact O-N 2.96Å; V372-A374 VanDerWaalsContact C-N 3.33Å; V372-A374 PolarHBondContact O-N 3.1Å; A374-R377 PolarHBondContact O-N 3.16Å; A374-R378 VanDerWaalsContact O-CB 3.24Å; A374-R378 WeakPolarHBondContact O-CB 3.45Å; A374-R378 PolarHBondContact O-N 3.39Å
375I97Very high94.5Very high8 Ų858.5 Ų58.54%0.04133%0.325CS..Hα-helixtrans-61.4-52.8179.1-66.8162.8000110.9Y356 Y359 A360 E363 N371 V372 R377 R378 F379Y356-I375 HydrophobicContact CD1-CG2 3.85Å; Y356-I375 WeakPolarHBondContact O-CG2 3.38Å; Y359-I375 HydrophobicContact CD1-CD1 3.59Å; Y359-I375 HydrophobicContact CD1-CG1 3.73Å; Y359-I375 HydrophobicContact CD1-CG2 4.08Å; Y359-I375 HydrophobicContact CD2-CD1 3.77Å; Y359-I375 HydrophobicContact CE1-CD1 3.73Å; Y359-I375 HydrophobicContact CE1-CG1 3.72Å; Y359-I375 HydrophobicContact CE2-CD1 3.88Å; Y359-I375 HydrophobicContact CG-CD1 3.61Å; Y359-I375 HydrophobicContact CG-CG1 4.26Å; A360-I375 HydrophobicContact CB-CG2 4.35Å; E363-I375 HydrophobicContact CB-CD1 4.28Å; E363-I375 HydrophobicContact CG-CD1 3.84Å; N371-I375 VanDerWaalsContact O-CG1 3.3Å; N371-I375 WeakPolarHBondContact O-CG1 3.22Å; N371-I375 PolarHBondContact O-N 2.87Å; V372-I375 PolarHBondContact O-N 3.36Å; I375-R377 PolarHBondContact O-N 3.23Å; I375-R378 PolarHBondContact O-N 3Å; I375-F379 PolarHBondContact O-N 3.28Å
376Y97Very high94.6Very high6 Ų657.4 Ų57.42%0.02431%0.312CS..Hα-helixtrans-63.9-43.3179.1-76.3-59.8000112.4A360 V372 R378 F379 I380 H393 Y394 F397A360-Y376 HydrophobicContact CB-CD2 4.39Å; A360-Y376 HydrophobicContact CB-CE1 4.43Å; A360-Y376 HydrophobicContact CB-CE2 3.67Å; V372-Y376 HydrophobicContact CG1-CD2 3.86Å; V372-Y376 HydrophobicContact CG1-CE2 3.66Å; V372-Y376 WeakPolarHBondContact O-CD2 3.48Å; V372-Y376 PolarHBondContact O-N 3.08Å; V372-Y376 VanDerWaalsContact O-N 3.16Å; Y376-R378 VanDerWaalsContact C-N 3.28Å; Y376-R378 PolarHBondContact O-N 2.92Å; Y376-F379 PolarHBondContact O-N 3.02Å; Y376-I380 WeakPolarHBondContact O-CD1 3.46Å; Y376-I380 VanDerWaalsContact O-CG1 3.27Å; Y376-I380 WeakPolarHBondContact O-CG1 3.4Å; Y376-I380 PolarHBondContact O-N 3.1Å; Y376-H393 HydrophobicContact CE1-CB 3.92Å; Y376-Y394 AromaticContact CD2-CD2 3.45Å; Y376-Y394 HydrophobicContact CD2-CD2 3.45Å; Y376-Y394 VanDerWaalsContact CD2-CD2 3.45Å; Y376-Y394 HydrophobicContact CD2-CE2 4.23Å; Y376-Y394 AromaticContact CD2-CG 3.94Å; Y376-Y394 HydrophobicContact CD2-CG 3.94Å; Y376-Y394 HydrophobicContact CE2-CD2 4.24Å; Y376-Y394 AromaticContact CG-CD2 3.85Å; Y376-Y394 HydrophobicContact CG-CD2 3.85Å; Y376-Y394 AromaticContact CG-CG 3.88Å; Y376-Y394 HydrophobicContact CG-CG 3.88Å; Y376-F397 HydrophobicContact CE2-CB 4.18Å; Y376-F397 HydrophobicContact CE2-CG 4.41Å
377R96.5Very high94.8Very high147 Ų14756.1 Ų56.156%0.55530%0.304SS*.Hα-helixtrans-61.6-36.9177.2-72.4172.9-168.1163.25.5112.1H373 A374 I375 I380 S381 Y394H373-R377 VanDerWaalsContact O-CB 3.31Å; H373-R377 WeakPolarHBondContact O-CB 3.38Å; H373-R377 WeakPolarHBondContact O-CD 3.4Å; H373-R377 WeakPolarHBondContact O-CG 3.45Å; H373-R377 PolarHBondContact O-N 3.06Å; A374-R377 PolarHBondContact O-N 3.16Å; I375-R377 PolarHBondContact O-N 3.23Å; R377-I380 PolarHBondContact O-N 3.41Å; R377-S381 WeakPolarHBondContact O-CB 3.43Å; R377-S381 PolarHBondContact O-N 2.97Å; R377-S381 PolarHBondContact O-OG 3.32Å; R377-Y394 PolarHBondContact NE-OH 2.88Å; R377-Y394 PolarHBondContact NH2-OH 3.46Å
378R96Very high95Very high82 Ų8250.1 Ų50.131%0.30927%0.272SS..Hα-helixtrans-65.7-36.3176.7-176.3178.5179.8180-5.1112.5E342 I345 N346 A374 I375 Y376 S381E342-R378 IonicContact OE1-NH1 3.74Å; E342-R378 PolarHBondContact OE1-NH1 3.08Å; E342-R378 IonicContact OE2-CZ 3.18Å; E342-R378 IonicContact OE2-NH1 2.79Å; E342-R378 PolarHBondContact OE2-NH1 3.44Å; E342-R378 IonicContact OE2-NH2 3.69Å; E342-R378 PolarHBondContact OE2-NH2 2.66Å; E342-R378 VanDerWaalsContact OE2-NH2 3.12Å; I345-R378 VanDerWaalsContact CD1-NH1 3.34Å; N346-R378 VanDerWaalsContact CG-NH2 3.27Å; N346-R378 PolarHBondContact ND2-NH2 2.87Å; N346-R378 PolarHBondContact OD1-NH2 3.08Å; A374-R378 VanDerWaalsContact O-CB 3.24Å; A374-R378 WeakPolarHBondContact O-CB 3.45Å; A374-R378 PolarHBondContact O-N 3.39Å; I375-R378 PolarHBondContact O-N 3Å; Y376-R378 VanDerWaalsContact C-N 3.28Å; Y376-R378 PolarHBondContact O-N 2.92Å; R378-S381 PolarHBondContact O-OG 3.24Å
379F96.4Very high95.1Very high5 Ų550.1 Ų50.12%0.02228%0.278CS..Hα-helixtrans-69.3-47.3172.9-173.3-95.7000111.3L353 Y356 I375 Y376 S381 R382 V385 A390L353-F379 HydrophobicContact CB-CE1 4.31Å; L353-F379 HydrophobicContact CB-CE2 4.18Å; L353-F379 HydrophobicContact CB-CZ 3.82Å; L353-F379 HydrophobicContact CD1-CD1 3.97Å; L353-F379 HydrophobicContact CD1-CE1 3.91Å; L353-F379 HydrophobicContact CD1-CE2 4.48Å; L353-F379 HydrophobicContact CD1-CG 4.28Å; L353-F379 HydrophobicContact CD1-CZ 4.17Å; Y356-F379 HydrophobicContact CD1-CB 3.7Å; Y356-F379 HydrophobicContact CD1-CD2 4.16Å; Y356-F379 HydrophobicContact CD1-CG 4.37Å; Y356-F379 AromaticContact CD2-CD2 3.52Å; Y356-F379 HydrophobicContact CD2-CD2 3.52Å; Y356-F379 HydrophobicContact CD2-CE2 4.12Å; Y356-F379 HydrophobicContact CD2-CG 4.4Å; Y356-F379 HydrophobicContact CE1-CB 3.84Å; Y356-F379 HydrophobicContact CE1-CD2 4.18Å; Y356-F379 AromaticContact CE2-CD2 3.54Å; Y356-F379 HydrophobicContact CE2-CD2 3.54Å; Y356-F379 HydrophobicContact CE2-CE2 4.18Å; Y356-F379 HydrophobicContact CG-CB 4.08Å; Y356-F379 AromaticContact CG-CD2 3.83Å; Y356-F379 HydrophobicContact CG-CD2 3.83Å; Y356-F379 HydrophobicContact CG-CG 4.28Å; Y356-F379 AromaticContact CZ-CD2 3.87Å; I375-F379 PolarHBondContact O-N 3.28Å; Y376-F379 PolarHBondContact O-N 3.02Å; F379-S381 VanDerWaalsContact C-N 3.3Å; F379-S381 PolarHBondContact O-N 3.38Å; F379-R382 VanDerWaalsContact O-CB 3.32Å; F379-R382 WeakPolarHBondContact O-CB 3.45Å; F379-R382 WeakPolarHBondContact O-CG 3.32Å; F379-R382 PolarHBondContact O-N 3.21Å; F379-V385 HydrophobicContact CD1-CG2 4.24Å; F379-V385 HydrophobicContact CE1-CB 4.19Å; F379-V385 HydrophobicContact CE1-CG2 3.76Å; F379-V385 HydrophobicContact CE2-CG1 4.31Å; F379-V385 HydrophobicContact CZ-CB 3.93Å; F379-V385 HydrophobicContact CZ-CG1 4.09Å; F379-V385 HydrophobicContact CZ-CG2 3.92Å; F379-A390 HydrophobicContact CD1-CB 3.46Å; F379-A390 VanDerWaalsContact CD1-CB 3.46Å; F379-A390 HydrophobicContact CE1-CB 3.8Å
380I96.2Very high95.2Very high15 Ų1547.7 Ų47.78%0.07727%0.265CS..Hα-helixtrans-63.2-34.9-177.2-68.6162.9000112Y376 R377 R382 P387 A390 Y391 Y394 R419Y376-I380 WeakPolarHBondContact O-CD1 3.46Å; Y376-I380 VanDerWaalsContact O-CG1 3.27Å; Y376-I380 WeakPolarHBondContact O-CG1 3.4Å; Y376-I380 PolarHBondContact O-N 3.1Å; R377-I380 PolarHBondContact O-N 3.41Å; I380-R382 PolarHBondContact O-N 2.91Å; I380-P387 HydrophobicContact CG1-CB 4.46Å; I380-P387 HydrophobicContact CG2-CB 4.44Å; I380-A390 HydrophobicContact CG1-CB 4.05Å; I380-Y391 HydrophobicContact CD1-CD1 3.81Å; I380-Y391 HydrophobicContact CD1-CE1 3.72Å; I380-Y391 HydrophobicContact CD1-CG 4.28Å; I380-Y391 HydrophobicContact CG1-CE1 4.49Å; I380-Y391 HydrophobicContact CG2-CE1 4.18Å; I380-Y391 HydrophobicContact CG2-CE2 3.94Å; I380-Y391 VanDerWaalsContact CG2-OH 3.25Å; I380-Y391 WeakPolarHBondContact CG2-OH 3.08Å; I380-Y394 HydrophobicContact CD1-CD1 4.03Å; I380-R419 PolarHBondContact O-NH2 3.42Å
381S95Very high95.3Very high92 Ų9244.8 Ų44.864%0.64324%0.238SC*.THydrogen-bonded Turntrans-67.4-16.3179.667.50000113.8R377 R378 F379 S383R377-S381 WeakPolarHBondContact O-CB 3.43Å; R377-S381 PolarHBondContact O-N 2.97Å; R377-S381 PolarHBondContact O-OG 3.32Å; R378-S381 PolarHBondContact O-OG 3.24Å; F379-S381 VanDerWaalsContact C-N 3.3Å; F379-S381 PolarHBondContact O-N 3.38Å; S381-S383 PolarHBondContact O-N 3.28Å
382R93Very high95.3Very high68 Ų6842.2 Ų42.226%0.25722%0.224SC..  trans-71.1126.7175.3-61.1-175.259.688.17.4110.2S350 F379 I380 D384 V385 R419S350-R382 VanDerWaalsContact O-CD 3.32Å; S350-R382 WeakPolarHBondContact O-CD 3.49Å; S350-R382 PolarHBondContact O-NE 2.93Å; F379-R382 VanDerWaalsContact O-CB 3.32Å; F379-R382 WeakPolarHBondContact O-CB 3.45Å; F379-R382 WeakPolarHBondContact O-CG 3.32Å; F379-R382 PolarHBondContact O-N 3.21Å; I380-R382 PolarHBondContact O-N 2.91Å; R382-D384 VanDerWaalsContact C-N 3.33Å; R382-D384 IonicContact CZ-OD1 3.41Å; R382-D384 IonicContact NE-OD1 2.7Å; R382-D384 PolarHBondContact NE-OD1 2.95Å; R382-D384 IonicContact NH2-OD1 3.25Å; R382-D384 PolarHBondContact NH2-OD1 3.28Å; R382-D384 VanDerWaalsContact NH2-OD1 3.07Å; R382-D384 IonicContact NH2-OD2 3.45Å; R382-D384 PolarHBondContact NH2-OD2 3.07Å; R382-D384 PolarHBondContact O-N 3.35Å; R382-V385 HydrophobicContact CB-CG2 3.98Å; R382-R419 PolarHBondContact O-NH1 3.23Å
383S90.1Very high95.3Very high106 Ų10644.9 Ų44.974%0.74124%0.237SC*.THydrogen-bonded Turntrans-76.2-18.7-17854.90000114.3S381S381-S383 PolarHBondContact O-N 3.28Å
384D90.5Very high95.3Very high72 Ų7244.7 Ų44.739%0.38524%0.235SC..THydrogen-bonded Turntrans-9510.7-170.169-32.8000114.8K351 R382K351-D384 WeakPolarHBondContact CD-OD2 3.41Å; K351-D384 WeakPolarHBondContact CE-OD2 3.37Å; K351-D384 IonicContact NZ-OD2 2.68Å; K351-D384 PolarHBondContact NZ-OD2 2.92Å; R382-D384 VanDerWaalsContact C-N 3.33Å; R382-D384 IonicContact CZ-OD1 3.41Å; R382-D384 IonicContact NE-OD1 2.7Å; R382-D384 PolarHBondContact NE-OD1 2.95Å; R382-D384 IonicContact NH2-OD1 3.25Å; R382-D384 PolarHBondContact NH2-OD1 3.28Å; R382-D384 VanDerWaalsContact NH2-OD1 3.07Å; R382-D384 IonicContact NH2-OD2 3.45Å; R382-D384 PolarHBondContact NH2-OD2 3.07Å; R382-D384 PolarHBondContact O-N 3.35Å
385V92.9Very high95.2Very high19 Ų1942 Ų4212%0.11521%0.214CC..SBendtrans-124.9157.1-178.7-580000111.6K351 F379 R382 P387 R419K351-V385 HydrophobicContact CB-CG1 4.15Å; K351-V385 HydrophobicContact CG-CG1 4.41Å; F379-V385 HydrophobicContact CD1-CG2 4.24Å; F379-V385 HydrophobicContact CE1-CB 4.19Å; F379-V385 HydrophobicContact CE1-CG2 3.76Å; F379-V385 HydrophobicContact CE2-CG1 4.31Å; F379-V385 HydrophobicContact CZ-CB 3.93Å; F379-V385 HydrophobicContact CZ-CG1 4.09Å; F379-V385 HydrophobicContact CZ-CG2 3.92Å; R382-V385 HydrophobicContact CB-CG2 3.98Å; V385-P387 WeakPolarHBondContact O-CD 3.36Å; V385-R419 PolarHBondContact O-NH1 2.83Å
386D93.5Very high95Very high67 Ų6742.9 Ų42.936%0.35822%0.217SC..  trans-81.6111.3167.6-179-6.6000109.3S388 K421D386-S388 VanDerWaalsContact C-N 3.26Å; D386-S388 PolarHBondContact O-N 3.03Å; D386-S388 WeakPolarHBondContact OD1-CB 3.38Å; D386-S388 PolarHBondContact OD1-N 3.35Å; D386-S388 PolarHBondContact OD1-OG 3.29Å; D386-K421 WeakPolarHBondContact OD2-CD 3.12Å; D386-K421 WeakPolarHBondContact OD2-CE 3.31Å; D386-K421 IonicContact OD2-NZ 2.78Å; D386-K421 PolarHBondContact OD2-NZ 3.44Å
387P95.5Very high94.9Very high0 Ų042.7 Ų42.70%022%0.216CC..  trans-81.2-4.7-175.636-37.4000112.8I380 V385 L389 A390 Y391 R419 V420I380-P387 HydrophobicContact CG1-CB 4.46Å; I380-P387 HydrophobicContact CG2-CB 4.44Å; V385-P387 WeakPolarHBondContact O-CD 3.36Å; P387-L389 PolarHBondContact O-N 3.14Å; P387-A390 WeakPolarHBondContact O-CB 3.46Å; P387-A390 PolarHBondContact O-N 2.83Å; P387-A390 VanDerWaalsContact O-N 3.12Å; P387-Y391 HydrophobicContact CB-CD2 3.87Å; P387-Y391 HydrophobicContact CB-CE2 3.73Å; P387-Y391 HydrophobicContact CG-CD2 4.32Å; P387-Y391 HydrophobicContact CG-CE2 4.05Å; P387-Y391 VanDerWaalsContact O-CD2 3.24Å; P387-Y391 WeakPolarHBondContact O-CD2 3.46Å; P387-Y391 PolarHBondContact O-N 2.82Å; P387-R419 HydrophobicContact CG-CB 3.91Å; P387-V420 HydrophobicContact CG-CG2 4.02Å
388S95.3Very high94.8Very high4 Ų435.7 Ų35.73%0.02819%0.19CC..Hα-helixtrans-57.9-49.8-170.2-53.20000112.2D386 Y391 I392 K421 V424D386-S388 VanDerWaalsContact C-N 3.26Å; D386-S388 PolarHBondContact O-N 3.03Å; D386-S388 WeakPolarHBondContact OD1-CB 3.38Å; D386-S388 PolarHBondContact OD1-N 3.35Å; D386-S388 PolarHBondContact OD1-OG 3.29Å; S388-Y391 PolarHBondContact O-N 3.3Å; S388-I392 WeakPolarHBondContact O-CG1 3.24Å; S388-I392 PolarHBondContact O-N 3.33Å; S388-I392 VanDerWaalsContact O-N 3.12Å; S388-K421 PolarHBondContact OG-N 3.13Å; S388-V424 WeakPolarHBondContact O-CG2 3.46Å
389L95.5Very high94.6Very high92 Ų9232.8 Ų32.848%0.48218%0.181SC..Hα-helixtrans-69.6-33.9178.5-172.156.9000111.9L353 P387 I392 H393L353-L389 HydrophobicContact CD2-CB 3.65Å; L353-L389 HydrophobicContact CD2-CD2 3.75Å; L353-L389 HydrophobicContact CD2-CG 3.52Å; P387-L389 PolarHBondContact O-N 3.14Å; L389-I392 HydrophobicContact CD1-CB 4.43Å; L389-I392 HydrophobicContact CD1-CD1 4.44Å; L389-I392 HydrophobicContact CD1-CG2 4.42Å; L389-I392 WeakPolarHBondContact O-CB 3.44Å; L389-I392 PolarHBondContact O-N 3.02Å; L389-H393 PolarHBondContact O-CD2 2.81Å; L389-H393 PolarHBondContact O-N 3.08Å
390A96.5Very high94.3Very high0 Ų037.3 Ų37.30%020%0.197CC..Hα-helixtrans-63.8-43.3175.500000112L353 F379 I380 P387 I392 H393 Y394L353-A390 HydrophobicContact CD1-CB 3.77Å; L353-A390 HydrophobicContact CD2-CB 4.42Å; F379-A390 HydrophobicContact CD1-CB 3.46Å; F379-A390 VanDerWaalsContact CD1-CB 3.46Å; F379-A390 HydrophobicContact CE1-CB 3.8Å; I380-A390 HydrophobicContact CG1-CB 4.05Å; P387-A390 WeakPolarHBondContact O-CB 3.46Å; P387-A390 PolarHBondContact O-N 2.83Å; P387-A390 VanDerWaalsContact O-N 3.12Å; A390-I392 VanDerWaalsContact C-N 3.32Å; A390-I392 PolarHBondContact O-N 3.39Å; A390-H393 PolarHBondContact O-N 3.16Å; A390-Y394 WeakPolarHBondContact O-CB 3.45Å; A390-Y394 PolarHBondContact O-N 3.41Å
391Y97.5Very high94.1Very high16 Ų1638.9 Ų38.96%0.06321%0.208CC..Hα-helixtrans-61.9-38.9172.7-80.1-64.8000112.1I380 P387 S388 Y394 M395 I410 A413 A414 D417 V420I380-Y391 HydrophobicContact CD1-CD1 3.81Å; I380-Y391 HydrophobicContact CD1-CE1 3.72Å; I380-Y391 HydrophobicContact CD1-CG 4.28Å; I380-Y391 HydrophobicContact CG1-CE1 4.49Å; I380-Y391 HydrophobicContact CG2-CE1 4.18Å; I380-Y391 HydrophobicContact CG2-CE2 3.94Å; I380-Y391 VanDerWaalsContact CG2-OH 3.25Å; I380-Y391 WeakPolarHBondContact CG2-OH 3.08Å; P387-Y391 HydrophobicContact CB-CD2 3.87Å; P387-Y391 HydrophobicContact CB-CE2 3.73Å; P387-Y391 HydrophobicContact CG-CD2 4.32Å; P387-Y391 HydrophobicContact CG-CE2 4.05Å; P387-Y391 VanDerWaalsContact O-CD2 3.24Å; P387-Y391 WeakPolarHBondContact O-CD2 3.46Å; P387-Y391 PolarHBondContact O-N 2.82Å; S388-Y391 PolarHBondContact O-N 3.3Å; Y391-Y394 PolarHBondContact O-N 3.41Å; Y391-M395 WeakPolarHBondContact O-CB 3.42Å; Y391-M395 VanDerWaalsContact O-CG 3.28Å; Y391-M395 WeakPolarHBondContact O-CG 3.45Å; Y391-M395 PolarHBondContact O-N 2.79Å; Y391-I410 HydrophobicContact CD1-CG2 3.99Å; Y391-A413 HydrophobicContact CE1-CB 4.43Å; Y391-A414 HydrophobicContact CD1-CB 3.6Å; Y391-A414 HydrophobicContact CD2-CB 3.87Å; Y391-A414 HydrophobicContact CE1-CB 3.83Å; Y391-A414 HydrophobicContact CE2-CB 4.09Å; Y391-A414 HydrophobicContact CG-CB 3.62Å; Y391-D417 HydrophobicContact CE2-CB 4.13Å; Y391-V420 HydrophobicContact CD2-CG2 3.56Å; Y391-V420 HydrophobicContact CE2-CG2 3.57Å
392I96.2Very high93.9Very high14 Ų1438.8 Ų38.87%0.07220%0.197CC..Hα-helixtrans-59.4-51.6176.3-73.9167.4000110.9S388 L389 A390 Y394 M395 K396 E423 V424 V427S388-I392 WeakPolarHBondContact O-CG1 3.24Å; S388-I392 PolarHBondContact O-N 3.33Å; S388-I392 VanDerWaalsContact O-N 3.12Å; L389-I392 HydrophobicContact CD1-CB 4.43Å; L389-I392 HydrophobicContact CD1-CD1 4.44Å; L389-I392 HydrophobicContact CD1-CG2 4.42Å; L389-I392 WeakPolarHBondContact O-CB 3.44Å; L389-I392 PolarHBondContact O-N 3.02Å; A390-I392 VanDerWaalsContact C-N 3.32Å; A390-I392 PolarHBondContact O-N 3.39Å; I392-Y394 VanDerWaalsContact C-N 3.33Å; I392-Y394 PolarHBondContact O-N 3.09Å; I392-M395 HydrophobicContact CG1-CE 4.42Å; I392-M395 PolarHBondContact O-N 2.9Å; I392-K396 WeakPolarHBondContact O-CG 3.22Å; I392-K396 PolarHBondContact O-N 2.92Å; I392-E423 HydrophobicContact CD1-CB 3.91Å; I392-V424 HydrophobicContact CD1-CG2 4.47Å; I392-V424 HydrophobicContact CG1-CG2 4.18Å; I392-V427 HydrophobicContact CD1-CG2 3.92Å; I392-V427 HydrophobicContact CG1-CB 4.1Å; I392-V427 HydrophobicContact CG1-CG1 4.35Å; I392-V427 HydrophobicContact CG1-CG2 3.87Å; I392-V427 HydrophobicContact CG2-CG1 4.17Å; I392-V427 HydrophobicContact CG2-CG2 3.99Å
393H95.9Very high93.8Very high56 Ų5636.8 Ų36.826%0.25920%0.198SC..Hα-helixtrans-64.1-39.7177.8-81.2-89.6000111.9Y376 L389 A390 M395 K396 F397Y376-H393 HydrophobicContact CE1-CB 3.92Å; L389-H393 PolarHBondContact O-CD2 2.81Å; L389-H393 PolarHBondContact O-N 3.08Å; A390-H393 PolarHBondContact O-N 3.16Å; H393-M395 PolarHBondContact O-N 3.5Å; H393-K396 WeakPolarHBondContact O-CB 3.16Å; H393-K396 PolarHBondContact O-N 3.32Å; H393-F397 PolarHBondContact O-N 3.23Å
394Y97.1Very high93.8Very high14 Ų1433.2 Ų33.26%0.05517%0.17CC..Hα-helixtrans-65.7-39.4178.7-174.1-152.8000112.7H373 Y376 R377 I380 A390 Y391 I392 F397 A398 I410H373-Y394 AromaticContact CE1-CE2 3.93Å; H373-Y394 AromaticContact ND1-CE2 3.28Å; H373-Y394 VanDerWaalsContact ND1-CE2 3.28Å; H373-Y394 WeakPolarHBondContact ND1-CE2 3.31Å; H373-Y394 AromaticContact ND1-CZ 3.46Å; H373-Y394 PolarHBondContact ND1-OH 3.33Å; Y376-Y394 AromaticContact CD2-CD2 3.45Å; Y376-Y394 HydrophobicContact CD2-CD2 3.45Å; Y376-Y394 VanDerWaalsContact CD2-CD2 3.45Å; Y376-Y394 HydrophobicContact CD2-CE2 4.23Å; Y376-Y394 AromaticContact CD2-CG 3.94Å; Y376-Y394 HydrophobicContact CD2-CG 3.94Å; Y376-Y394 HydrophobicContact CE2-CD2 4.24Å; Y376-Y394 AromaticContact CG-CD2 3.85Å; Y376-Y394 HydrophobicContact CG-CD2 3.85Å; Y376-Y394 AromaticContact CG-CG 3.88Å; Y376-Y394 HydrophobicContact CG-CG 3.88Å; R377-Y394 PolarHBondContact NE-OH 2.88Å; R377-Y394 PolarHBondContact NH2-OH 3.46Å; I380-Y394 HydrophobicContact CD1-CD1 4.03Å; A390-Y394 WeakPolarHBondContact O-CB 3.45Å; A390-Y394 PolarHBondContact O-N 3.41Å; Y391-Y394 PolarHBondContact O-N 3.41Å; I392-Y394 VanDerWaalsContact C-N 3.33Å; I392-Y394 PolarHBondContact O-N 3.09Å; Y394-F397 HydrophobicContact CD2-CD1 4.05Å; Y394-F397 HydrophobicContact CE2-CD1 4.21Å; Y394-F397 PolarHBondContact O-N 3.37Å; Y394-A398 PolarHBondContact O-N 3.01Å; Y394-I410 HydrophobicContact CD1-CB 4.35Å; Y394-I410 HydrophobicContact CD1-CD1 3.89Å; Y394-I410 HydrophobicContact CD1-CG1 4.01Å; Y394-I410 HydrophobicContact CD1-CG2 3.41Å; Y394-I410 VanDerWaalsContact CD1-CG2 3.41Å; Y394-I410 HydrophobicContact CD2-CD1 3.76Å; Y394-I410 HydrophobicContact CE1-CB 4.31Å; Y394-I410 HydrophobicContact CE1-CD1 3.72Å; Y394-I410 HydrophobicContact CE1-CG1 3.61Å; Y394-I410 HydrophobicContact CE1-CG2 3.79Å; Y394-I410 HydrophobicContact CE2-CD1 3.61Å; Y394-I410 HydrophobicContact CE2-CG1 4.34Å; Y394-I410 HydrophobicContact CG-CD1 3.88Å; Y394-I410 HydrophobicContact CG-CG1 4.5Å; Y394-I410 HydrophobicContact CG-CG2 4.04Å
395M95.5Very high93.9Very high0 Ų039.9 Ų39.90%019%0.19CC..Hα-helixtrans-65.5-41.3171.5-74.4-173.2-57.800111.9Y391 I392 H393 A398 N399 V407 I410 F411 V424 V427 A428 L431Y391-M395 WeakPolarHBondContact O-CB 3.42Å; Y391-M395 VanDerWaalsContact O-CG 3.28Å; Y391-M395 WeakPolarHBondContact O-CG 3.45Å; Y391-M395 PolarHBondContact O-N 2.79Å; I392-M395 HydrophobicContact CG1-CE 4.42Å; I392-M395 PolarHBondContact O-N 2.9Å; H393-M395 PolarHBondContact O-N 3.5Å; M395-A398 PolarHBondContact O-N 2.91Å; M395-N399 WeakPolarHBondContact O-CB 3.27Å; M395-N399 PolarHBondContact O-N 3.12Å; M395-V407 HydrophobicContact CB-CG1 4.19Å; M395-V407 HydrophobicContact CG-CG1 4.27Å; M395-V407 HydrophobicContact SD-CG1 4.45Å; M395-I410 HydrophobicContact CG-CB 4.07Å; M395-I410 HydrophobicContact CG-CG2 3.62Å; M395-F411 HydrophobicContact SD-CB 3.86Å; M395-F411 HydrophobicContact SD-CD2 4.11Å; M395-F411 HydrophobicContact SD-CG 4.39Å; M395-V424 HydrophobicContact CE-CG1 3.68Å; M395-V424 HydrophobicContact SD-CG1 4.44Å; M395-V427 HydrophobicContact CE-CB 4.41Å; M395-V427 HydrophobicContact CE-CG1 3.97Å; M395-A428 HydrophobicContact CE-CB 4.48Å; M395-A428 HydrophobicContact SD-CB 4.21Å; M395-L431 HydrophobicContact CB-CD1 3.88Å
396K93.4Very high93.9Very high25 Ų2540 Ų4011%0.10919%0.191CC..Hα-helixtrans-59-47.3174.8-78.2-172.6171.4-165.10111.1I392 H393 N399 R400 Y608 E611I392-K396 WeakPolarHBondContact O-CG 3.22Å; I392-K396 PolarHBondContact O-N 2.92Å; H393-K396 WeakPolarHBondContact O-CB 3.16Å; H393-K396 PolarHBondContact O-N 3.32Å; K396-N399 PolarHBondContact O-N 3.13Å; K396-R400 WeakPolarHBondContact O-CG 3.11Å; K396-R400 PolarHBondContact O-N 3Å; K396-Y608 WeakPolarHBondContact CE-OH 3.28Å; K396-Y608 VanDerWaalsContact NZ-CE2 3.32Å; K396-E611 IonicContact NZ-OE2 2.76Å; K396-E611 PolarHBondContact NZ-OE2 2.92Å; K396-E611 VanDerWaalsContact NZ-OE2 3.12Å
397F94.7Very high94Very high2 Ų237 Ų371%0.00918%0.175CC..Hα-helixtrans-55.1-55.6174.9160.1-102.4000111.3E364 L369 V372 H373 Y376 H393 Y394 N399 R400 T401E364-F397 HydrophobicContact CG-CD2 4.48Å; E364-F397 HydrophobicContact CG-CE2 4.25Å; L369-F397 HydrophobicContact CB-CZ 4.36Å; L369-F397 HydrophobicContact CD2-CE2 4.09Å; L369-F397 HydrophobicContact CD2-CZ 4.3Å; V372-F397 HydrophobicContact CB-CD2 4.48Å; V372-F397 HydrophobicContact CB-CE1 4.1Å; V372-F397 HydrophobicContact CB-CE2 3.85Å; V372-F397 HydrophobicContact CB-CZ 3.63Å; V372-F397 HydrophobicContact CG1-CD1 3.86Å; V372-F397 HydrophobicContact CG1-CD2 3.66Å; V372-F397 HydrophobicContact CG1-CE1 3.74Å; V372-F397 HydrophobicContact CG1-CE2 3.52Å; V372-F397 HydrophobicContact CG1-CG 3.82Å; V372-F397 HydrophobicContact CG1-CZ 3.56Å; V372-F397 HydrophobicContact CG2-CE2 4.05Å; V372-F397 HydrophobicContact CG2-CZ 4.21Å; H373-F397 AromaticContact CE1-CE1 3.76Å; H373-F397 AromaticContact NE2-CE1 3.64Å; Y376-F397 HydrophobicContact CE2-CB 4.18Å; Y376-F397 HydrophobicContact CE2-CG 4.41Å; H393-F397 PolarHBondContact O-N 3.23Å; Y394-F397 HydrophobicContact CD2-CD1 4.05Å; Y394-F397 HydrophobicContact CE2-CD1 4.21Å; Y394-F397 PolarHBondContact O-N 3.37Å; F397-N399 PolarHBondContact O-N 2.8Å; F397-R400 PolarHBondContact O-N 2.98Å; F397-T401 HydrophobicContact CD2-CG2 4.03Å; F397-T401 HydrophobicContact CE2-CG2 3.7Å; F397-T401 HydrophobicContact CZ-CG2 4.42Å; F397-T401 PolarHBondContact O-N 2.98Å; F397-T401 VanDerWaalsContact O-N 3.1Å; F397-T401 PolarHBondContact O-OG1 2.84Å
398A94.7Very high94Very high0 Ų042 Ų420%019%0.194CC..Hα-helixtrans-59.8-33.8-178.300000112.9Y394 M395 E402 G403 V407 I410Y394-A398 PolarHBondContact O-N 3.01Å; M395-A398 PolarHBondContact O-N 2.91Å; A398-E402 CarbonylContact O-C 3.59Å; A398-E402 PolarHBondContact O-N 3.41Å; A398-G403 PolarHBondContact O-N 3.31Å; A398-V407 HydrophobicContact CB-CG2 4.18Å; A398-I410 HydrophobicContact CB-CD1 3.38Å
399N92.3Very high94Very high22 Ų2246.5 Ų46.512%0.11822%0.221CC..Hα-helixtrans-65.4-37.8175.8-165.159.2000112.4M395 K396 F397 V407 L431M395-N399 WeakPolarHBondContact O-CB 3.27Å; M395-N399 PolarHBondContact O-N 3.12Å; K396-N399 PolarHBondContact O-N 3.13Å; F397-N399 PolarHBondContact O-N 2.8Å; N399-V407 HydrophobicContact CB-CG2 3.56Å; N399-L431 HydrophobicContact CB-CD2 4.25Å
400R89.7Confident94.1Very high100 Ų10042.4 Ų42.438%0.37720%0.2SC..Hα-helixtrans-75.5-33179.7-66.4-168-44.6-140.32.9113.6E364 K396 F397 M615 Y619E364-R400 IonicContact OE1-CZ 3.94Å; E364-R400 IonicContact OE1-NE 3.47Å; E364-R400 PolarHBondContact OE1-NE 3.01Å; E364-R400 IonicContact OE1-NH2 2.97Å; E364-R400 PolarHBondContact OE1-NH2 3.47Å; E364-R400 IonicContact OE2-CZ 2.7Å; E364-R400 IonicContact OE2-NH2 3.55Å; E364-R400 PolarHBondContact OE2-NH2 2.93Å; K396-R400 WeakPolarHBondContact O-CG 3.11Å; K396-R400 PolarHBondContact O-N 3Å; F397-R400 PolarHBondContact O-N 2.98Å; R400-M615 HydrophobicContact CG-CE 3.32Å; R400-Y619 PolarHBondContact O-OH 3.41Å
401T91.6Very high94.1Very high48 Ų4843.3 Ų43.329%0.29420%0.204SC..Hα-helixtrans-107.2-37.8-168.854.40000113.5E364 L369 F397E364-T401 HydrophobicContact CG-CG2 4.49Å; L369-T401 HydrophobicContact CD2-CG2 4.12Å; F397-T401 HydrophobicContact CD2-CG2 4.03Å; F397-T401 HydrophobicContact CE2-CG2 3.7Å; F397-T401 HydrophobicContact CZ-CG2 4.42Å; F397-T401 PolarHBondContact O-N 2.98Å; F397-T401 VanDerWaalsContact O-N 3.1Å; F397-T401 PolarHBondContact O-OG1 2.84Å
402E91.6Very high94Very high90 Ų9048.5 Ų48.542%0.42123%0.227SC..THydrogen-bonded Turntrans-118.9-14.2-170.5-56.4-175.8138.300113.6H373 A398 S406H373-E402 IonicContact CE1-OE1 3.29Å; H373-E402 IonicContact CE1-OE2 3.11Å; H373-E402 PolarHBondContact CE1-OE2 3.45Å; H373-E402 VanDerWaalsContact CE1-OE2 3.25Å; H373-E402 IonicContact NE2-OE1 3.39Å; H373-E402 PolarHBondContact NE2-OE1 3.39Å; H373-E402 IonicContact NE2-OE2 3.47Å; H373-E402 PolarHBondContact NE2-OE2 3.2Å; A398-E402 CarbonylContact O-C 3.59Å; A398-E402 PolarHBondContact O-N 3.41Å; E402-S406 WeakPolarHBondContact OE2-CB 3.45Å; E402-S406 PolarHBondContact OE2-OG 3.28Å
403G90.2Very high94Very high26 Ų2649.8 Ų49.827%0.26824%0.239SC..  trans82.2-176.7-179.800000114.9A398 R405 S406 V407A398-G403 PolarHBondContact O-N 3.31Å; G403-R405 VanDerWaalsContact C-N 3.28Å; G403-R405 PolarHBondContact O-N 3.48Å; G403-R405 VanDerWaalsContact O-N 3.11Å; G403-S406 PolarHBondContact O-N 3.18Å; G403-S406 VanDerWaalsContact O-N 3.13Å; G403-V407 PolarHBondContact O-N 3.49Å
404I89.3Confident94.1Very high30 Ų3047.1 Ų47.115%0.15423%0.227CC..Hα-helixtrans-62.4-26.8-164.6-160.765000114.9S406 V407 R408 E432 N436I404-S406 VanDerWaalsContact C-N 3.32Å; I404-S406 PolarHBondContact O-N 3.21Å; I404-V407 HydrophobicContact CD1-CB 4.22Å; I404-V407 HydrophobicContact CD1-CG1 4.4Å; I404-V407 HydrophobicContact CD1-CG2 4.44Å; I404-V407 WeakPolarHBondContact O-CB 3.43Å; I404-V407 PolarHBondContact O-N 3.48Å; I404-R408 WeakPolarHBondContact O-CG 3.43Å; I404-R408 PolarHBondContact O-N 3.22Å; I404-E432 HydrophobicContact CD1-CG 4.29Å; I404-N436 HydrophobicContact CD1-CB 4.44Å; I404-N436 HydrophobicContact CG1-CB 4.25Å
405R92.8Very high94Very high213 Ų21351.7 Ų51.780%0.80424%0.244SC*.Hα-helixtrans-64.2-38.9178.5-68.7-176.1-177.7177.41.8111.7G403 T409G403-R405 VanDerWaalsContact C-N 3.28Å; G403-R405 PolarHBondContact O-N 3.48Å; G403-R405 VanDerWaalsContact O-N 3.11Å; R405-T409 PolarHBondContact O-N 3.41Å; R405-T409 PolarHBondContact O-OG1 3.03Å
406S93.8Very high93.9Very high21 Ų2158.5 Ų58.515%0.14728%0.276CS..Hα-helixtrans-69.8-43.3176.4-174.90000111.1E402 G403 I404 R408 T409 I410E402-S406 WeakPolarHBondContact OE2-CB 3.45Å; E402-S406 PolarHBondContact OE2-OG 3.28Å; G403-S406 PolarHBondContact O-N 3.18Å; G403-S406 VanDerWaalsContact O-N 3.13Å; I404-S406 VanDerWaalsContact C-N 3.32Å; I404-S406 PolarHBondContact O-N 3.21Å; S406-R408 VanDerWaalsContact C-N 3.32Å; S406-R408 PolarHBondContact O-N 3.21Å; S406-T409 WeakPolarHBondContact O-CA 3.39Å; S406-T409 VanDerWaalsContact O-CB 3.32Å; S406-T409 WeakPolarHBondContact O-CB 3.5Å; S406-T409 PolarHBondContact O-N 3.02Å; S406-I410 WeakPolarHBondContact O-CG1 3.36Å; S406-I410 PolarHBondContact O-N 3.4Å
407V94.7Very high93.9Very high3 Ų358.4 Ų58.42%0.01828%0.277CS..Hα-helixtrans-52.4-48.4173.9-178.20000111.6M395 A398 N399 G403 I404 T409 I410 F411 L431M395-V407 HydrophobicContact CB-CG1 4.19Å; M395-V407 HydrophobicContact CG-CG1 4.27Å; M395-V407 HydrophobicContact SD-CG1 4.45Å; A398-V407 HydrophobicContact CB-CG2 4.18Å; N399-V407 HydrophobicContact CB-CG2 3.56Å; G403-V407 PolarHBondContact O-N 3.49Å; I404-V407 HydrophobicContact CD1-CB 4.22Å; I404-V407 HydrophobicContact CD1-CG1 4.4Å; I404-V407 HydrophobicContact CD1-CG2 4.44Å; I404-V407 WeakPolarHBondContact O-CB 3.43Å; I404-V407 PolarHBondContact O-N 3.48Å; V407-T409 VanDerWaalsContact C-N 3.28Å; V407-T409 PolarHBondContact O-N 3.48Å; V407-I410 PolarHBondContact O-N 2.89Å; V407-F411 WeakPolarHBondContact O-CB 3.3Å; V407-F411 PolarHBondContact O-N 3.31Å; V407-L431 HydrophobicContact CG1-CD1 3.99Å
408R95Very high93.8Very high107 Ų10762 Ų6240%0.40431%0.314SS..Hα-helixtrans-61.7-34.6177.8-71.7175.2-179.41744.7112.9I404 S406 K412 E432I404-R408 WeakPolarHBondContact O-CG 3.43Å; I404-R408 PolarHBondContact O-N 3.22Å; S406-R408 VanDerWaalsContact C-N 3.32Å; S406-R408 PolarHBondContact O-N 3.21Å; R408-K412 WeakPolarHBondContact O-CB 3.42Å; R408-K412 PolarHBondContact O-N 2.84Å; R408-E432 WeakPolarHBondContact CG-OE1 3.43Å; R408-E432 IonicContact CZ-OE1 3.93Å; R408-E432 IonicContact CZ-OE2 3.03Å; R408-E432 IonicContact NE-OE1 3.93Å; R408-E432 PolarHBondContact NE-OE1 2.94Å; R408-E432 IonicContact NE-OE2 3.4Å; R408-E432 IonicContact NH2-OE1 3.09Å; R408-E432 PolarHBondContact NH2-OE1 3.11Å; R408-E432 IonicContact NH2-OE2 3.2Å; R408-E432 PolarHBondContact NH2-OE2 3.32Å
409T96.1Very high93.8Very high97 Ų9765.9 Ų65.960%0.59533%0.329SS*.Hα-helixtrans-67.7-44.2176.6-56.90000110.9R405 S406 V407 K412 A413R405-T409 PolarHBondContact O-N 3.41Å; R405-T409 PolarHBondContact O-OG1 3.03Å; S406-T409 WeakPolarHBondContact O-CA 3.39Å; S406-T409 VanDerWaalsContact O-CB 3.32Å; S406-T409 WeakPolarHBondContact O-CB 3.5Å; S406-T409 PolarHBondContact O-N 3.02Å; V407-T409 VanDerWaalsContact C-N 3.28Å; V407-T409 PolarHBondContact O-N 3.48Å; T409-K412 WeakPolarHBondContact O-CB 3.4Å; T409-K412 PolarHBondContact O-N 3.03Å; T409-A413 PolarHBondContact O-N 2.96Å
410I96.9Very high93.9Very high7 Ų765.1 Ų65.14%0.03633%0.325CS..Hα-helixtrans-66.5-43.9176.6-62.5168.1000110.7Y391 Y394 M395 A398 S406 V407 K412 A413 A414Y391-I410 HydrophobicContact CD1-CG2 3.99Å; Y394-I410 HydrophobicContact CD1-CB 4.35Å; Y394-I410 HydrophobicContact CD1-CD1 3.89Å; Y394-I410 HydrophobicContact CD1-CG1 4.01Å; Y394-I410 HydrophobicContact CD1-CG2 3.41Å; Y394-I410 VanDerWaalsContact CD1-CG2 3.41Å; Y394-I410 HydrophobicContact CD2-CD1 3.76Å; Y394-I410 HydrophobicContact CE1-CB 4.31Å; Y394-I410 HydrophobicContact CE1-CD1 3.72Å; Y394-I410 HydrophobicContact CE1-CG1 3.61Å; Y394-I410 HydrophobicContact CE1-CG2 3.79Å; Y394-I410 HydrophobicContact CE2-CD1 3.61Å; Y394-I410 HydrophobicContact CE2-CG1 4.34Å; Y394-I410 HydrophobicContact CG-CD1 3.88Å; Y394-I410 HydrophobicContact CG-CG1 4.5Å; Y394-I410 HydrophobicContact CG-CG2 4.04Å; M395-I410 HydrophobicContact CG-CB 4.07Å; M395-I410 HydrophobicContact CG-CG2 3.62Å; A398-I410 HydrophobicContact CB-CD1 3.38Å; S406-I410 WeakPolarHBondContact O-CG1 3.36Å; S406-I410 PolarHBondContact O-N 3.4Å; V407-I410 PolarHBondContact O-N 2.89Å; I410-K412 VanDerWaalsContact C-N 3.28Å; I410-K412 PolarHBondContact O-N 3.37Å; I410-A413 WeakPolarHBondContact O-CB 3.23Å; I410-A413 PolarHBondContact O-N 3.49Å; I410-A413 VanDerWaalsContact O-N 3.14Å; I410-A414 PolarHBondContact O-N 2.85Å
411F96.7Very high94Very high18 Ų1865.1 Ų65.18%0.07933%0.328CS..Hα-helixtrans-61.6-37.2176.7-178.7-125.1000111.9M395 V407 A414 R415 V424 Y425 A428 I445M395-F411 HydrophobicContact SD-CB 3.86Å; M395-F411 HydrophobicContact SD-CD2 4.11Å; M395-F411 HydrophobicContact SD-CG 4.39Å; V407-F411 WeakPolarHBondContact O-CB 3.3Å; V407-F411 PolarHBondContact O-N 3.31Å; F411-A414 PolarHBondContact O-N 2.91Å; F411-R415 HydrophobicContact CD2-CG 4.37Å; F411-R415 HydrophobicContact CE1-CG 4.28Å; F411-R415 HydrophobicContact CE2-CG 4.01Å; F411-R415 HydrophobicContact CZ-CG 3.96Å; F411-R415 VanDerWaalsContact O-CG 3.29Å; F411-R415 WeakPolarHBondContact O-CG 3.38Å; F411-R415 PolarHBondContact O-N 2.83Å; F411-V424 HydrophobicContact CD2-CG1 4.08Å; F411-V424 HydrophobicContact CE2-CG1 4.22Å; F411-Y425 HydrophobicContact CE2-CD1 4.2Å; F411-Y425 HydrophobicContact CE2-CD2 4.37Å; F411-Y425 HydrophobicContact CE2-CE1 4.45Å; F411-Y425 HydrophobicContact CE2-CG 4.18Å; F411-Y425 AromaticContact CZ-CD1 3.74Å; F411-Y425 HydrophobicContact CZ-CD1 3.74Å; F411-Y425 AromaticContact CZ-CE1 3.93Å; F411-Y425 HydrophobicContact CZ-CE1 3.93Å; F411-Y425 HydrophobicContact CZ-CG 4.17Å; F411-A428 HydrophobicContact CD1-CB 4.25Å; F411-A428 HydrophobicContact CD2-CB 3.57Å; F411-A428 HydrophobicContact CE1-CB 4.27Å; F411-A428 HydrophobicContact CE2-CB 3.62Å; F411-A428 HydrophobicContact CG-CB 3.91Å; F411-A428 HydrophobicContact CZ-CB 3.98Å; F411-I445 HydrophobicContact CE1-CD1 4.45Å; F411-I445 HydrophobicContact CE1-CG1 4.31Å; F411-I445 HydrophobicContact CE1-CG2 4.22Å; F411-I445 HydrophobicContact CZ-CG2 3.9Å
412K97Very high94.1Very high125 Ų12563 Ų6354%0.54332%0.315SS..Hα-helixtrans-58.5-48.6172.4-175.2-174.5173.4-170.40111.3R408 T409 I410 A414 R415 E416R408-K412 WeakPolarHBondContact O-CB 3.42Å; R408-K412 PolarHBondContact O-N 2.84Å; T409-K412 WeakPolarHBondContact O-CB 3.4Å; T409-K412 PolarHBondContact O-N 3.03Å; I410-K412 VanDerWaalsContact C-N 3.28Å; I410-K412 PolarHBondContact O-N 3.37Å; K412-A414 VanDerWaalsContact C-N 3.33Å; K412-A414 PolarHBondContact O-N 3.48Å; K412-R415 PolarHBondContact O-N 3.44Å; K412-E416 VanDerWaalsContact CE-OE1 3.31Å; K412-E416 WeakPolarHBondContact CE-OE1 3.24Å; K412-E416 PolarHBondContact O-N 3.37Å
413A96.1Very high94.1Very high41 Ų4162.8 Ų62.834%0.33931%0.314SS..Hα-helixtrans-61.1-41.3176.300000112.2Y391 T409 I410 R415 E416 D417Y391-A413 HydrophobicContact CE1-CB 4.43Å; T409-A413 PolarHBondContact O-N 2.96Å; I410-A413 WeakPolarHBondContact O-CB 3.23Å; I410-A413 PolarHBondContact O-N 3.49Å; I410-A413 VanDerWaalsContact O-N 3.14Å; A413-R415 VanDerWaalsContact C-N 3.27Å; A413-R415 PolarHBondContact O-N 2.91Å; A413-E416 PolarHBondContact O-N 3.49Å; A413-D417 PolarHBondContact O-N 3.05Å
414A96.4Very high94.4Very high1 Ų161.5 Ų61.51%0.00830%0.301CS..Hα-helixtrans-62.4-33.4177.300000113Y391 I410 F411 K412 E416 D417 V420 V424Y391-A414 HydrophobicContact CD1-CB 3.6Å; Y391-A414 HydrophobicContact CD2-CB 3.87Å; Y391-A414 HydrophobicContact CE1-CB 3.83Å; Y391-A414 HydrophobicContact CE2-CB 4.09Å; Y391-A414 HydrophobicContact CG-CB 3.62Å; I410-A414 PolarHBondContact O-N 2.85Å; F411-A414 PolarHBondContact O-N 2.91Å; K412-A414 VanDerWaalsContact C-N 3.33Å; K412-A414 PolarHBondContact O-N 3.48Å; A414-E416 VanDerWaalsContact C-N 3.34Å; A414-D417 PolarHBondContact O-N 3.25Å; A414-V420 HydrophobicContact CB-CG2 4.44Å; A414-V420 WeakPolarHBondContact O-CB 3.37Å; A414-V420 WeakPolarHBondContact O-CG2 3.38Å; A414-V424 HydrophobicContact CB-CG1 3.87Å
415R95.3Very high94.6Very high109 Ų10960.4 Ų60.441%0.41130%0.295SS..Hα-helixtrans-70.5-31.3177.2-72.3174.153.7-163.7-4.1113.2F411 K412 A413 D417 Y425 K452F411-R415 HydrophobicContact CD2-CG 4.37Å; F411-R415 HydrophobicContact CE1-CG 4.28Å; F411-R415 HydrophobicContact CE2-CG 4.01Å; F411-R415 HydrophobicContact CZ-CG 3.96Å; F411-R415 VanDerWaalsContact O-CG 3.29Å; F411-R415 WeakPolarHBondContact O-CG 3.38Å; F411-R415 PolarHBondContact O-N 2.83Å; K412-R415 PolarHBondContact O-N 3.44Å; A413-R415 VanDerWaalsContact C-N 3.27Å; A413-R415 PolarHBondContact O-N 2.91Å; R415-D417 VanDerWaalsContact C-N 3.34Å; R415-Y425 HydrophobicContact CG-CE1 4.36Å; R415-Y425 HydrophobicContact CG-CE2 4.49Å; R415-K452 PolarHBondContact O-NZ 3.12Å
416E94.5Very high94.6Very high143 Ų14350.9 Ų50.967%0.66826%0.261SS*.Hα-helixtrans-76.6-22.7178.2-68.3169.6-175.600111.7K412 A413 A414 G418K412-E416 VanDerWaalsContact CE-OE1 3.31Å; K412-E416 WeakPolarHBondContact CE-OE1 3.24Å; K412-E416 PolarHBondContact O-N 3.37Å; A413-E416 PolarHBondContact O-N 3.49Å; A414-E416 VanDerWaalsContact C-N 3.34Å; E416-G418 PolarHBondContact O-N 3.13Å
417D93.9Very high94.5Very high23 Ų2350.4 Ų50.412%0.12326%0.257CS..  trans-77119.9174.1-164.9-28.9000111.6Y391 A413 A414 R415 R419 V420Y391-D417 HydrophobicContact CE2-CB 4.13Å; A413-D417 PolarHBondContact O-N 3.05Å; A414-D417 PolarHBondContact O-N 3.25Å; R415-D417 VanDerWaalsContact C-N 3.34Å; D417-R419 PolarHBondContact O-N 3.45Å; D417-R419 WeakPolarHBondContact OD1-CB 3.49Å; D417-R419 IonicContact OD1-CZ 3.42Å; D417-R419 PolarHBondContact OD1-N 3.11Å; D417-R419 IonicContact OD1-NE 3.52Å; D417-R419 PolarHBondContact OD1-NE 2.5Å; D417-R419 IonicContact OD1-NH2 2.73Å; D417-R419 IonicContact OD2-CZ 3.12Å; D417-R419 IonicContact OD2-NE 2.79Å; D417-R419 PolarHBondContact OD2-NE 2.99Å; D417-R419 IonicContact OD2-NH2 3.2Å; D417-R419 PolarHBondContact OD2-NH2 3.16Å; D417-V420 HydrophobicContact CB-CG2 3.89Å; D417-V420 PolarHBondContact O-N 3.41Å
418G92.1Very high94.5Very high77 Ų7750.4 Ų50.479%0.79426%0.257SS*.THydrogen-bonded Turntrans-69.8-14.9-17900000114.8E416E416-G418 PolarHBondContact O-N 3.13Å
419R94Very high94.3Very high83 Ų8345.3 Ų45.331%0.31324%0.238SC..THydrogen-bonded Turntrans-86.6-15.4-178.1-58.8169.8-66167-2.7113.4I380 R382 V385 P387 D417I380-R419 PolarHBondContact O-NH2 3.42Å; R382-R419 PolarHBondContact O-NH1 3.23Å; V385-R419 PolarHBondContact O-NH1 2.83Å; P387-R419 HydrophobicContact CG-CB 3.91Å; D417-R419 PolarHBondContact O-N 3.45Å; D417-R419 WeakPolarHBondContact OD1-CB 3.49Å; D417-R419 IonicContact OD1-CZ 3.42Å; D417-R419 PolarHBondContact OD1-N 3.11Å; D417-R419 IonicContact OD1-NE 3.52Å; D417-R419 PolarHBondContact OD1-NE 2.5Å; D417-R419 IonicContact OD1-NH2 2.73Å; D417-R419 IonicContact OD2-CZ 3.12Å; D417-R419 IonicContact OD2-NE 2.79Å; D417-R419 PolarHBondContact OD2-NE 2.99Å; D417-R419 IonicContact OD2-NH2 3.2Å; D417-R419 PolarHBondContact OD2-NH2 3.16Å
420V93.8Very high94Very high5 Ų540.8 Ų40.83%0.0321%0.21CC..  trans-68.4132.2-174.3165.40000111.4P387 Y391 A414 D417 V424 F453P387-V420 HydrophobicContact CG-CG2 4.02Å; Y391-V420 HydrophobicContact CD2-CG2 3.56Å; Y391-V420 HydrophobicContact CE2-CG2 3.57Å; A414-V420 HydrophobicContact CB-CG2 4.44Å; A414-V420 WeakPolarHBondContact O-CB 3.37Å; A414-V420 WeakPolarHBondContact O-CG2 3.38Å; D417-V420 HydrophobicContact CB-CG2 3.89Å; D417-V420 PolarHBondContact O-N 3.41Å; V420-V424 HydrophobicContact CG1-CB 3.75Å; V420-V424 HydrophobicContact CG1-CG1 4.2Å; V420-V424 HydrophobicContact CG1-CG2 3.54Å; V420-F453 WeakPolarHBondContact O-CZ 3.46Å
421K93.4Very high93.7Very high100 Ų10040.4 Ų40.444%0.43521%0.208SC..  trans-91.5177.7176-64174.3176.5163.80112.3D386 S388 E423D386-K421 WeakPolarHBondContact OD2-CD 3.12Å; D386-K421 WeakPolarHBondContact OD2-CE 3.31Å; D386-K421 IonicContact OD2-NZ 2.78Å; D386-K421 PolarHBondContact OD2-NZ 3.44Å; S388-K421 PolarHBondContact OG-N 3.13Å; K421-E423 VanDerWaalsContact C-N 3.31Å; K421-E423 WeakPolarHBondContact CB-OE2 3.43Å; K421-E423 PolarHBondContact O-N 3.47Å
422S92.1Very high93.4Very high3 Ų339.9 Ų39.92%0.02121%0.206CC..THydrogen-bonded Turntrans-70.2-23.7-169.668.60000114V424 Y425 T426 D456S422-V424 PolarHBondContact O-N 3.37Å; S422-Y425 WeakPolarHBondContact O-CB 3.23Å; S422-Y425 PolarHBondContact O-N 2.88Å; S422-T426 PolarHBondContact O-N 3.02Å; S422-D456 WeakPolarHBondContact CB-OD2 3.45Å; S422-D456 PolarHBondContact OG-OD2 3Å
423E93Very high92.9Very high86 Ų8636.3 Ų36.340%0.40219%0.189SC..Hα-helixtrans-60.6-32.3-176.4-56.886.6164.100111.8I392 K421 Y425 T426 V427I392-E423 HydrophobicContact CD1-CB 3.91Å; K421-E423 VanDerWaalsContact C-N 3.31Å; K421-E423 WeakPolarHBondContact CB-OE2 3.43Å; K421-E423 PolarHBondContact O-N 3.47Å; E423-Y425 VanDerWaalsContact C-N 3.29Å; E423-Y425 PolarHBondContact O-N 3.08Å; E423-T426 WeakPolarHBondContact O-CB 2.94Å; E423-T426 PolarHBondContact O-N 3.27Å; E423-V427 WeakPolarHBondContact O-CG2 3.37Å; E423-V427 PolarHBondContact O-N 3.18Å
424V94.9Very high92.3Very high0 Ų036.5 Ų36.50%018%0.182CC..Hα-helixtrans-60.9-39.3175.9178.90000111.4S388 I392 M395 F411 A414 V420 S422 A428S388-V424 WeakPolarHBondContact O-CG2 3.46Å; I392-V424 HydrophobicContact CD1-CG2 4.47Å; I392-V424 HydrophobicContact CG1-CG2 4.18Å; M395-V424 HydrophobicContact CE-CG1 3.68Å; M395-V424 HydrophobicContact SD-CG1 4.44Å; F411-V424 HydrophobicContact CD2-CG1 4.08Å; F411-V424 HydrophobicContact CE2-CG1 4.22Å; A414-V424 HydrophobicContact CB-CG1 3.87Å; V420-V424 HydrophobicContact CG1-CB 3.75Å; V420-V424 HydrophobicContact CG1-CG1 4.2Å; V420-V424 HydrophobicContact CG1-CG2 3.54Å; S422-V424 PolarHBondContact O-N 3.37Å; V424-A428 VanDerWaalsContact O-CB 3.31Å; V424-A428 WeakPolarHBondContact O-CB 3.2Å; V424-A428 PolarHBondContact O-N 3.09Å
425Y94.6Very high91.3Very high7 Ų738.6 Ų38.63%0.02721%0.205CC..Hα-helixtrans-70-41.8178.1-75.8-107.7000111.2F411 R415 S422 E423 V427 A428 A429 I445 L448 G449 K452 F453F411-Y425 HydrophobicContact CE2-CD1 4.2Å; F411-Y425 HydrophobicContact CE2-CD2 4.37Å; F411-Y425 HydrophobicContact CE2-CE1 4.45Å; F411-Y425 HydrophobicContact CE2-CG 4.18Å; F411-Y425 AromaticContact CZ-CD1 3.74Å; F411-Y425 HydrophobicContact CZ-CD1 3.74Å; F411-Y425 AromaticContact CZ-CE1 3.93Å; F411-Y425 HydrophobicContact CZ-CE1 3.93Å; F411-Y425 HydrophobicContact CZ-CG 4.17Å; R415-Y425 HydrophobicContact CG-CE1 4.36Å; R415-Y425 HydrophobicContact CG-CE2 4.49Å; S422-Y425 WeakPolarHBondContact O-CB 3.23Å; S422-Y425 PolarHBondContact O-N 2.88Å; E423-Y425 VanDerWaalsContact C-N 3.29Å; E423-Y425 PolarHBondContact O-N 3.08Å; Y425-V427 VanDerWaalsContact C-N 3.35Å; Y425-V427 PolarHBondContact O-N 3.37Å; Y425-A428 PolarHBondContact O-N 3.27Å; Y425-A429 WeakPolarHBondContact O-CB 3Å; Y425-A429 PolarHBondContact O-N 3.27Å; Y425-I445 HydrophobicContact CD1-CG2 4.33Å; Y425-I445 WeakPolarHBondContact O-CG2 3.35Å; Y425-L448 HydrophobicContact CE1-CD2 4.03Å; Y425-L448 HydrophobicContact CE1-CG 4.06Å; Y425-G449 VanDerWaalsContact CD1-CA 3.48Å; Y425-K452 HydrophobicContact CE2-CD 4.22Å; Y425-K452 WeakPolarHBondContact OH-CD 3.37Å; Y425-F453 AromaticContact CD2-CE2 3.81Å; Y425-F453 HydrophobicContact CD2-CE2 3.81Å; Y425-F453 AromaticContact CE2-CE2 3.66Å; Y425-F453 HydrophobicContact CE2-CE2 3.66Å; Y425-F453 HydrophobicContact CE2-CZ 4.44Å
426T91.7Very high90.6Very high13 Ų1336.7 Ų36.78%0.0820%0.203CC..Hα-helixtrans-57-50.9174.7-61.20000110.3S422 E423 A429 L430 F446 F459S422-T426 PolarHBondContact O-N 3.02Å; E423-T426 WeakPolarHBondContact O-CB 2.94Å; E423-T426 PolarHBondContact O-N 3.27Å; T426-A429 PolarHBondContact O-N 3.49Å; T426-L430 HydrophobicContact CG2-CD1 3.95Å; T426-L430 VanDerWaalsContact O-CG 3.25Å; T426-L430 WeakPolarHBondContact O-CG 3.1Å; T426-L430 PolarHBondContact O-N 2.89Å; T426-F446 HydrophobicContact CG2-CE1 4.24Å; T426-F446 HydrophobicContact CG2-CZ 4.42Å; T426-F459 WeakPolarHBondContact OG1-CD2 3.31Å
427V92.8Very high89.9Confident10 Ų1037.5 Ų37.56%0.06121%0.206CC..Hα-helixtrans-62.8-45.5179.3166.30000112I392 M395 E423 Y425 A429 L430 L431 Y608I392-V427 HydrophobicContact CD1-CG2 3.92Å; I392-V427 HydrophobicContact CG1-CB 4.1Å; I392-V427 HydrophobicContact CG1-CG1 4.35Å; I392-V427 HydrophobicContact CG1-CG2 3.87Å; I392-V427 HydrophobicContact CG2-CG1 4.17Å; I392-V427 HydrophobicContact CG2-CG2 3.99Å; M395-V427 HydrophobicContact CE-CB 4.41Å; M395-V427 HydrophobicContact CE-CG1 3.97Å; E423-V427 WeakPolarHBondContact O-CG2 3.37Å; E423-V427 PolarHBondContact O-N 3.18Å; Y425-V427 VanDerWaalsContact C-N 3.35Å; Y425-V427 PolarHBondContact O-N 3.37Å; V427-A429 VanDerWaalsContact C-N 3.29Å; V427-A429 PolarHBondContact O-N 2.79Å; V427-L430 PolarHBondContact O-N 2.83Å; V427-L430 VanDerWaalsContact O-N 3.16Å; V427-L431 HydrophobicContact CG1-CD1 3.84Å; V427-L431 HydrophobicContact CG1-CG 4.18Å; V427-L431 WeakPolarHBondContact O-CG 3.43Å; V427-L431 PolarHBondContact O-N 3.18Å; V427-Y608 WeakPolarHBondContact CG1-OH 3.47Å; V427-Y608 HydrophobicContact CG2-CE1 4.35Å; V427-Y608 HydrophobicContact CG2-CE2 4.38Å; V427-Y608 VanDerWaalsContact CG2-OH 3.28Å; V427-Y608 WeakPolarHBondContact CG2-OH 3.35Å
428A94.2Very high89.4Confident3 Ų338.6 Ų38.63%0.02521%0.212CC..Hα-helixtrans-59.7-40.4179.200000112.1M395 F411 V424 Y425 L431 E432 I445M395-A428 HydrophobicContact CE-CB 4.48Å; M395-A428 HydrophobicContact SD-CB 4.21Å; F411-A428 HydrophobicContact CD1-CB 4.25Å; F411-A428 HydrophobicContact CD2-CB 3.57Å; F411-A428 HydrophobicContact CE1-CB 4.27Å; F411-A428 HydrophobicContact CE2-CB 3.62Å; F411-A428 HydrophobicContact CG-CB 3.91Å; F411-A428 HydrophobicContact CZ-CB 3.98Å; V424-A428 VanDerWaalsContact O-CB 3.31Å; V424-A428 WeakPolarHBondContact O-CB 3.2Å; V424-A428 PolarHBondContact O-N 3.09Å; Y425-A428 PolarHBondContact O-N 3.27Å; A428-L431 PolarHBondContact O-N 3.09Å; A428-E432 WeakPolarHBondContact O-CG 3.2Å; A428-E432 PolarHBondContact O-N 3.45Å; A428-E432 VanDerWaalsContact O-N 3.11Å; A428-I445 HydrophobicContact CB-CD1 4.47Å; A428-I445 HydrophobicContact CB-CG2 4.29Å
429A91.6Very high88.9Confident0 Ų035.7 Ų35.70%018%0.18CC..Hα-helixtrans-65.9-41.4175.600000112.3Y425 T426 V427 E432 Y433 A442 I445 F446Y425-A429 WeakPolarHBondContact O-CB 3Å; Y425-A429 PolarHBondContact O-N 3.27Å; T426-A429 PolarHBondContact O-N 3.49Å; V427-A429 VanDerWaalsContact C-N 3.29Å; V427-A429 PolarHBondContact O-N 2.79Å; A429-E432 PolarHBondContact O-N 3.34Å; A429-Y433 WeakPolarHBondContact O-CB 3.21Å; A429-Y433 PolarHBondContact O-N 3.45Å; A429-A442 HydrophobicContact CB-CB 4.28Å; A429-A442 VanDerWaalsContact O-CB 3.28Å; A429-A442 WeakPolarHBondContact O-CB 3.28Å; A429-I445 HydrophobicContact CB-CB 3.96Å; A429-I445 HydrophobicContact CB-CG2 3.83Å; A429-F446 HydrophobicContact CB-CD1 4.43Å; A429-F446 HydrophobicContact CB-CD2 3.53Å; A429-F446 HydrophobicContact CB-CE1 4.22Å; A429-F446 HydrophobicContact CB-CE2 3.25Å; A429-F446 HydrophobicContact CB-CG 4.11Å; A429-F446 HydrophobicContact CB-CZ 3.64Å
430L90.1Very high88.5Confident2 Ų234.8 Ų34.81%0.0119%0.187CC..Hα-helixtrans-66.9-37.1176.8-64.2170.6000111.9T426 V427 Y433 F434 F466 F605 Y608 L612T426-L430 HydrophobicContact CG2-CD1 3.95Å; T426-L430 VanDerWaalsContact O-CG 3.25Å; T426-L430 WeakPolarHBondContact O-CG 3.1Å; T426-L430 PolarHBondContact O-N 2.89Å; V427-L430 PolarHBondContact O-N 2.83Å; V427-L430 VanDerWaalsContact O-N 3.16Å; L430-Y433 PolarHBondContact O-N 3.01Å; L430-F434 HydrophobicContact CB-CD2 4.23Å; L430-F434 HydrophobicContact CB-CE2 4.5Å; L430-F434 HydrophobicContact CD2-CD2 4.4Å; L430-F434 HydrophobicContact CD2-CE2 3.84Å; L430-F434 WeakPolarHBondContact O-CB 3.24Å; L430-F434 VanDerWaalsContact O-CD2 3.3Å; L430-F434 WeakPolarHBondContact O-CD2 3.48Å; L430-F434 PolarHBondContact O-N 3.01Å; L430-F466 HydrophobicContact CD2-CD2 3.86Å; L430-F605 HydrophobicContact CD1-CE2 4.11Å; L430-F605 HydrophobicContact CD2-CE2 4.1Å; L430-F605 HydrophobicContact CD2-CZ 4.36Å; L430-Y608 HydrophobicContact CB-CE1 4.41Å; L430-Y608 HydrophobicContact CD1-CD1 3.89Å; L430-Y608 HydrophobicContact CD1-CE1 3.62Å; L430-L612 HydrophobicContact CB-CD1 3.94Å
431L90.3Very high88.3Confident0 Ų035.6 Ų35.60%019%0.192CC..Hα-helixtrans-64.7-41.8175-73.1172.7000112.1M395 N399 V407 V427 A428 Y433 G435 L612M395-L431 HydrophobicContact CB-CD1 3.88Å; N399-L431 HydrophobicContact CB-CD2 4.25Å; V407-L431 HydrophobicContact CG1-CD1 3.99Å; V427-L431 HydrophobicContact CG1-CD1 3.84Å; V427-L431 HydrophobicContact CG1-CG 4.18Å; V427-L431 WeakPolarHBondContact O-CG 3.43Å; V427-L431 PolarHBondContact O-N 3.18Å; A428-L431 PolarHBondContact O-N 3.09Å; L431-Y433 VanDerWaalsContact C-N 3.33Å; L431-G435 WeakPolarHBondContact O-CA 3.32Å; L431-G435 PolarHBondContact O-N 3.08Å; L431-L612 HydrophobicContact CD2-CD2 3.85Å
432E89.5Confident88Confident7 Ų730.8 Ų30.83%0.03317%0.171CC..Hα-helixtrans-65.1-39174.6-71.4-81.8-175.200111.8I404 R408 A428 A429 N436 Q437 D438 V441 I445I404-E432 HydrophobicContact CD1-CG 4.29Å; R408-E432 WeakPolarHBondContact CG-OE1 3.43Å; R408-E432 IonicContact CZ-OE1 3.93Å; R408-E432 IonicContact CZ-OE2 3.03Å; R408-E432 IonicContact NE-OE1 3.93Å; R408-E432 PolarHBondContact NE-OE1 2.94Å; R408-E432 IonicContact NE-OE2 3.4Å; R408-E432 IonicContact NH2-OE1 3.09Å; R408-E432 PolarHBondContact NH2-OE1 3.11Å; R408-E432 IonicContact NH2-OE2 3.2Å; R408-E432 PolarHBondContact NH2-OE2 3.32Å; A428-E432 WeakPolarHBondContact O-CG 3.2Å; A428-E432 PolarHBondContact O-N 3.45Å; A428-E432 VanDerWaalsContact O-N 3.11Å; A429-E432 PolarHBondContact O-N 3.34Å; E432-N436 CarbonylContact O-C 3.49Å; E432-N436 WeakPolarHBondContact O-CA 2.96Å; E432-N436 WeakPolarHBondContact O-CB 3.39Å; E432-N436 PolarHBondContact O-N 2.83Å; E432-Q437 PolarHBondContact O-N 3.46Å; E432-D438 PolarHBondContact O-N 3.11Å; E432-V441 HydrophobicContact CB-CB 4.43Å; E432-V441 HydrophobicContact CB-CG1 4.05Å; E432-V441 HydrophobicContact CG-CG1 3.71Å; E432-I445 HydrophobicContact CB-CD1 4.44Å; E432-I445 HydrophobicContact CG-CD1 3.73Å
433Y86.5Confident87.6Confident50 Ų5031.7 Ų31.720%0.19618%0.176CC..Hα-helixtrans-72.1-53.8-179.8178-112.9000113A429 L430 L431 Q437 A439 F466 F470A429-Y433 WeakPolarHBondContact O-CB 3.21Å; A429-Y433 PolarHBondContact O-N 3.45Å; L430-Y433 PolarHBondContact O-N 3.01Å; L431-Y433 VanDerWaalsContact C-N 3.33Å; Y433-Q437 WeakPolarHBondContact O-CA 3.28Å; Y433-Q437 PolarHBondContact O-N 3.14Å; Y433-Q437 VanDerWaalsContact O-N 3.12Å; Y433-A439 HydrophobicContact CD2-CB 3.94Å; Y433-A439 HydrophobicContact CE2-CB 4.13Å; Y433-F466 HydrophobicContact CD1-CD2 4.49Å; Y433-F466 AromaticContact CD1-CE2 3.71Å; Y433-F466 HydrophobicContact CD1-CE2 3.71Å; Y433-F466 HydrophobicContact CD2-CE2 4.12Å; Y433-F466 HydrophobicContact CD2-CZ 4.25Å; Y433-F466 HydrophobicContact CE1-CE2 4.42Å; Y433-F466 AromaticContact CG-CE2 3.55Å; Y433-F466 HydrophobicContact CG-CE2 3.55Å; Y433-F466 HydrophobicContact CG-CZ 4.09Å; Y433-F470 HydrophobicContact CD2-CD2 4.35Å; Y433-F470 HydrophobicContact CD2-CE2 4.34Å; Y433-F470 HydrophobicContact CE1-CD2 4.36Å; Y433-F470 AromaticContact CE2-CD2 3.23Å; Y433-F470 HydrophobicContact CE2-CD2 3.23Å; Y433-F470 AromaticContact CE2-CE2 3.19Å; Y433-F470 HydrophobicContact CE2-CE2 3.19Å; Y433-F470 AromaticContact CE2-CG 3.98Å; Y433-F470 HydrophobicContact CE2-CG 3.98Å; Y433-F470 AromaticContact CE2-CZ 3.93Å; Y433-F470 HydrophobicContact CE2-CZ 3.93Å; Y433-F470 AromaticContact CZ-CD2 3.25Å; Y433-F470 AromaticContact CZ-CE2 3.59Å; Y433-F470 WeakPolarHBondContact OH-CD2 3.36Å; Y433-F470 VanDerWaalsContact OH-CE2 3.28Å; Y433-F470 WeakPolarHBondContact OH-CE2 3.44Å
434F83.6Confident87.5Confident44 Ų4434.5 Ų34.519%0.19318%0.183CC..Hα-helixtrans-81.3-33-176.5-70.6-67.4000113.3L430 L609 L612 I613L430-F434 HydrophobicContact CB-CD2 4.23Å; L430-F434 HydrophobicContact CB-CE2 4.5Å; L430-F434 HydrophobicContact CD2-CD2 4.4Å; L430-F434 HydrophobicContact CD2-CE2 3.84Å; L430-F434 WeakPolarHBondContact O-CB 3.24Å; L430-F434 VanDerWaalsContact O-CD2 3.3Å; L430-F434 WeakPolarHBondContact O-CD2 3.48Å; L430-F434 PolarHBondContact O-N 3.01Å; F434-L609 HydrophobicContact CD2-CD2 4.3Å; F434-L609 HydrophobicContact CE1-CD2 4.01Å; F434-L609 HydrophobicContact CE2-CD2 3.22Å; F434-L609 HydrophobicContact CZ-CD2 3.05Å; F434-L612 HydrophobicContact CB-CB 4.48Å; F434-L612 HydrophobicContact CD2-CB 4.41Å; F434-L612 HydrophobicContact CD2-CD1 3.9Å; F434-L612 HydrophobicContact CG-CB 4.49Å; F434-I613 HydrophobicContact CE1-CG1 4.46Å
435G76.4Confident87.3Confident46 Ų4635.1 Ų35.147%0.47419%0.186SC..Hα-helixtrans-83.9-41.4-17900000113.2L431L431-G435 WeakPolarHBondContact O-CA 3.32Å; L431-G435 PolarHBondContact O-N 3.08Å
436N78.7Confident87Confident69 Ų6934.8 Ų34.837%0.36919%0.185SC..Hα-helixtrans-112.51.6-173.4-170.152.7000113.5I404 E432 D438I404-N436 HydrophobicContact CD1-CB 4.44Å; I404-N436 HydrophobicContact CG1-CB 4.25Å; E432-N436 CarbonylContact O-C 3.49Å; E432-N436 WeakPolarHBondContact O-CA 2.96Å; E432-N436 WeakPolarHBondContact O-CB 3.39Å; E432-N436 PolarHBondContact O-N 2.83Å; N436-D438 PolarHBondContact O-N 3.35Å
437Q81.4Confident86.7Confident159 Ų15938.3 Ų38.374%0.74320%0.201SC*.  trans55.722.7-178.8-59.1-177.2-2.800113.9E432 Y433E432-Q437 PolarHBondContact O-N 3.46Å; Y433-Q437 WeakPolarHBondContact O-CA 3.28Å; Y433-Q437 PolarHBondContact O-N 3.14Å; Y433-Q437 VanDerWaalsContact O-N 3.12Å
438D82.5Confident86.6Confident46 Ų4640.7 Ų40.725%0.24621%0.213CC..  trans-104.186.3-177-167-21.6000111.4E432 N436 S440 V441 A442E432-D438 PolarHBondContact O-N 3.11Å; N436-D438 PolarHBondContact O-N 3.35Å; D438-S440 PolarHBondContact O-N 2.71Å; D438-S440 WeakPolarHBondContact OD1-CA 3.45Å; D438-S440 WeakPolarHBondContact OD1-CB 3.3Å; D438-S440 PolarHBondContact OD1-N 3.39Å; D438-S440 PolarHBondContact OD1-OG 3.02Å; D438-V441 HydrophobicContact CB-CB 4.28Å; D438-V441 HydrophobicContact CB-CG2 4.27Å; D438-V441 VanDerWaalsContact CG-CG2 3.41Å; D438-V441 PolarHBondContact O-N 2.84Å; D438-V441 PolarHBondContact OD1-N 3.06Å; D438-V441 WeakPolarHBondContact OD2-CG2 3.38Å; D438-A442 PolarHBondContact O-N 3.07Å
439A82.2Confident86.3Confident16 Ų1640.6 Ų40.613%0.13221%0.212CC..Hα-helixtrans-63.9-26.9175.900000113.5Y433 A442 V443 F470Y433-A439 HydrophobicContact CD2-CB 3.94Å; Y433-A439 HydrophobicContact CE2-CB 4.13Å; A439-A442 PolarHBondContact O-N 3.18Å; A439-V443 VanDerWaalsContact O-CG2 3.31Å; A439-V443 WeakPolarHBondContact O-CG2 3.28Å; A439-V443 PolarHBondContact O-N 3.43Å; A439-F470 HydrophobicContact CB-CD1 3.84Å; A439-F470 HydrophobicContact CB-CE1 3.11Å; A439-F470 HydrophobicContact CB-CE2 4.09Å; A439-F470 HydrophobicContact CB-CZ 3.24Å
440S85.3Confident85.9Confident65 Ų6542 Ų4246%0.45522%0.22SC..Hα-helixtrans-68.7-37.6179.983.80000111.6D438 R444D438-S440 PolarHBondContact O-N 2.71Å; D438-S440 WeakPolarHBondContact OD1-CA 3.45Å; D438-S440 WeakPolarHBondContact OD1-CB 3.3Å; D438-S440 PolarHBondContact OD1-N 3.39Å; D438-S440 PolarHBondContact OD1-OG 3.02Å; S440-R444 WeakPolarHBondContact O-CG 3.16Å; S440-R444 PolarHBondContact O-N 3.24Å; S440-R444 PolarHBondContact O-NE 3.39Å; S440-R444 VanDerWaalsContact O-NE 3.11Å; S440-R444 PolarHBondContact OG-NH2 3Å
441V88.5Confident85.8Confident21 Ų2150.2 Ų50.213%0.12726%0.255CS..Hα-helixtrans-71.8-43.8175.5174.10000109.9E432 D438 V443 R444 I445E432-V441 HydrophobicContact CB-CB 4.43Å; E432-V441 HydrophobicContact CB-CG1 4.05Å; E432-V441 HydrophobicContact CG-CG1 3.71Å; D438-V441 HydrophobicContact CB-CB 4.28Å; D438-V441 HydrophobicContact CB-CG2 4.27Å; D438-V441 VanDerWaalsContact CG-CG2 3.41Å; D438-V441 PolarHBondContact O-N 2.84Å; D438-V441 PolarHBondContact OD1-N 3.06Å; D438-V441 WeakPolarHBondContact OD2-CG2 3.38Å; V441-V443 PolarHBondContact O-N 2.88Å; V441-R444 WeakPolarHBondContact O-CB 3.25Å; V441-R444 PolarHBondContact O-N 3.39Å; V441-R444 VanDerWaalsContact O-N 3.12Å; V441-I445 HydrophobicContact CG1-CD1 3.86Å; V441-I445 HydrophobicContact CG1-CG1 4.31Å; V441-I445 WeakPolarHBondContact O-CG1 3.35Å; V441-I445 PolarHBondContact O-N 3.35Å
442A87.3Confident85.7Confident0 Ų054.3 Ų54.30%027%0.273CS..Hα-helixtrans-56.9-47.617800000112.3A429 D438 A439 R444 I445 F446 F466A429-A442 HydrophobicContact CB-CB 4.28Å; A429-A442 VanDerWaalsContact O-CB 3.28Å; A429-A442 WeakPolarHBondContact O-CB 3.28Å; D438-A442 PolarHBondContact O-N 3.07Å; A439-A442 PolarHBondContact O-N 3.18Å; A442-R444 VanDerWaalsContact C-N 3.34Å; A442-R444 PolarHBondContact O-N 3.46Å; A442-I445 PolarHBondContact O-N 3.22Å; A442-F446 VanDerWaalsContact O-CD2 3.23Å; A442-F446 WeakPolarHBondContact O-CD2 3.4Å; A442-F446 PolarHBondContact O-N 3.12Å; A442-F466 HydrophobicContact CB-CE1 4.19Å; A442-F466 HydrophobicContact CB-CE2 4.13Å; A442-F466 HydrophobicContact CB-CZ 3.52Å
443V85.3Confident85.6Confident22 Ų2255.7 Ų55.713%0.13328%0.279CS..Hα-helixtrans-58.2-45.3174.81710000111.3A439 V441 I445 F446 E447 F466 L467A439-V443 VanDerWaalsContact O-CG2 3.31Å; A439-V443 WeakPolarHBondContact O-CG2 3.28Å; A439-V443 PolarHBondContact O-N 3.43Å; V441-V443 PolarHBondContact O-N 2.88Å; V443-I445 VanDerWaalsContact C-N 3.32Å; V443-I445 PolarHBondContact O-N 2.89Å; V443-F446 PolarHBondContact O-N 3.12Å; V443-E447 HydrophobicContact CG1-CG 4.35Å; V443-E447 WeakPolarHBondContact O-CG 3.39Å; V443-E447 PolarHBondContact O-N 2.84Å; V443-F466 HydrophobicContact CG2-CE1 4.06Å; V443-L467 HydrophobicContact CG2-CD2 4.42Å
444R89.8Confident85Confident144 Ų14456.1 Ų56.154%0.54329%0.288SS..Hα-helixtrans-61.6-37177.4-76.3-178.7-76169.4-9.4113S440 V441 A442 L448S440-R444 WeakPolarHBondContact O-CG 3.16Å; S440-R444 PolarHBondContact O-N 3.24Å; S440-R444 PolarHBondContact O-NE 3.39Å; S440-R444 VanDerWaalsContact O-NE 3.11Å; S440-R444 PolarHBondContact OG-NH2 3Å; V441-R444 WeakPolarHBondContact O-CB 3.25Å; V441-R444 PolarHBondContact O-N 3.39Å; V441-R444 VanDerWaalsContact O-N 3.12Å; A442-R444 VanDerWaalsContact C-N 3.34Å; A442-R444 PolarHBondContact O-N 3.46Å; R444-L448 VanDerWaalsContact O-CB 3.3Å; R444-L448 WeakPolarHBondContact O-CB 3.37Å; R444-L448 PolarHBondContact O-N 2.86Å
445I91.8Very high84.7Confident13 Ų1357.7 Ų57.77%0.06730%0.304CS..Hα-helixtrans-66.9-43.2176.1-68.2170.4000110.4F411 Y425 A428 A429 E432 V441 A442 V443 L448 G449F411-I445 HydrophobicContact CE1-CD1 4.45Å; F411-I445 HydrophobicContact CE1-CG1 4.31Å; F411-I445 HydrophobicContact CE1-CG2 4.22Å; F411-I445 HydrophobicContact CZ-CG2 3.9Å; Y425-I445 HydrophobicContact CD1-CG2 4.33Å; Y425-I445 WeakPolarHBondContact O-CG2 3.35Å; A428-I445 HydrophobicContact CB-CD1 4.47Å; A428-I445 HydrophobicContact CB-CG2 4.29Å; A429-I445 HydrophobicContact CB-CB 3.96Å; A429-I445 HydrophobicContact CB-CG2 3.83Å; E432-I445 HydrophobicContact CB-CD1 4.44Å; E432-I445 HydrophobicContact CG-CD1 3.73Å; V441-I445 HydrophobicContact CG1-CD1 3.86Å; V441-I445 HydrophobicContact CG1-CG1 4.31Å; V441-I445 WeakPolarHBondContact O-CG1 3.35Å; V441-I445 PolarHBondContact O-N 3.35Å; A442-I445 PolarHBondContact O-N 3.22Å; V443-I445 VanDerWaalsContact C-N 3.32Å; V443-I445 PolarHBondContact O-N 2.89Å; I445-L448 WeakPolarHBondContact O-CB 3.44Å; I445-L448 PolarHBondContact O-N 3.18Å; I445-G449 PolarHBondContact O-N 3.48Å
446F87Confident84.8Confident0 Ų057.5 Ų57.50%029%0.292CS..Hα-helixtrans-62.8-45.8175.6-80.6-64.8000112.5T426 A429 A442 V443 L448 G449 L450 F459 Y463 F466T426-F446 HydrophobicContact CG2-CE1 4.24Å; T426-F446 HydrophobicContact CG2-CZ 4.42Å; A429-F446 HydrophobicContact CB-CD1 4.43Å; A429-F446 HydrophobicContact CB-CD2 3.53Å; A429-F446 HydrophobicContact CB-CE1 4.22Å; A429-F446 HydrophobicContact CB-CE2 3.25Å; A429-F446 HydrophobicContact CB-CG 4.11Å; A429-F446 HydrophobicContact CB-CZ 3.64Å; A442-F446 VanDerWaalsContact O-CD2 3.23Å; A442-F446 WeakPolarHBondContact O-CD2 3.4Å; A442-F446 PolarHBondContact O-N 3.12Å; V443-F446 PolarHBondContact O-N 3.12Å; F446-L448 VanDerWaalsContact C-N 3.28Å; F446-L448 PolarHBondContact O-N 3.45Å; F446-G449 PolarHBondContact O-N 2.83Å; F446-G449 VanDerWaalsContact O-N 3.15Å; F446-L450 WeakPolarHBondContact O-CB 3.49Å; F446-L450 PolarHBondContact O-N 3.36Å; F446-F459 HydrophobicContact CD1-CE2 4.11Å; F446-F459 AromaticContact CD1-CZ 3.81Å; F446-F459 HydrophobicContact CD1-CZ 3.81Å; F446-F459 HydrophobicContact CE1-CE2 4.45Å; F446-F459 WeakPolarHBondContact O-CE1 3.21Å; F446-Y463 HydrophobicContact CB-CD1 4.14Å; F446-Y463 HydrophobicContact CB-CD2 3.27Å; F446-Y463 HydrophobicContact CB-CE1 4.24Å; F446-Y463 HydrophobicContact CB-CE2 3.4Å; F446-Y463 HydrophobicContact CB-CG 3.68Å; F446-Y463 AromaticContact CD1-CD2 3.72Å; F446-Y463 HydrophobicContact CD1-CD2 3.72Å; F446-Y463 AromaticContact CD1-CG 3.85Å; F446-Y463 HydrophobicContact CD1-CG 3.85Å; F446-Y463 AromaticContact CD2-CD2 3.53Å; F446-Y463 HydrophobicContact CD2-CD2 3.53Å; F446-Y463 AromaticContact CD2-CE2 3.9Å; F446-Y463 HydrophobicContact CD2-CE2 3.9Å; F446-Y463 HydrophobicContact CD2-CG 4.47Å; F446-Y463 HydrophobicContact CE1-CD2 4.4Å; F446-Y463 HydrophobicContact CE2-CD2 4.25Å; F446-Y463 AromaticContact CG-CD2 3.22Å; F446-Y463 HydrophobicContact CG-CD2 3.22Å; F446-Y463 AromaticContact CG-CE2 3.77Å; F446-Y463 HydrophobicContact CG-CE2 3.77Å; F446-Y463 AromaticContact CG-CG 3.77Å; F446-Y463 HydrophobicContact CG-CG 3.77Å; F446-F466 AromaticContact CD2-CD1 3.63Å; F446-F466 HydrophobicContact CD2-CD1 3.63Å; F446-F466 AromaticContact CD2-CE1 3.96Å; F446-F466 HydrophobicContact CD2-CE1 3.96Å; F446-F466 HydrophobicContact CD2-CG 4.07Å; F446-F466 HydrophobicContact CE2-CB 3.7Å; F446-F466 AromaticContact CE2-CD1 3.36Å; F446-F466 HydrophobicContact CE2-CD1 3.36Å; F446-F466 AromaticContact CE2-CD2 3.8Å; F446-F466 HydrophobicContact CE2-CD2 3.8Å; F446-F466 AromaticContact CE2-CE1 3.89Å; F446-F466 HydrophobicContact CE2-CE1 3.89Å; F446-F466 HydrophobicContact CE2-CE2 4.26Å; F446-F466 AromaticContact CE2-CG 3.31Å; F446-F466 HydrophobicContact CE2-CG 3.31Å; F446-F466 HydrophobicContact CE2-CZ 4.31Å; F446-F466 HydrophobicContact CZ-CB 3.82Å; F446-F466 HydrophobicContact CZ-CD1 4.33Å; F446-F466 HydrophobicContact CZ-CD2 4.42Å; F446-F466 AromaticContact CZ-CG 3.94Å; F446-F466 HydrophobicContact CZ-CG 3.94Å
447E86.2Confident84.5Confident88 Ų8854.9 Ų54.941%0.41128%0.279SS..Hα-helixtrans-60.3-38.1175.6-72.4178.8170.500112.2V443 L450 K451V443-E447 HydrophobicContact CG1-CG 4.35Å; V443-E447 WeakPolarHBondContact O-CG 3.39Å; V443-E447 PolarHBondContact O-N 2.84Å; E447-L450 PolarHBondContact O-N 3.23Å; E447-K451 WeakPolarHBondContact O-CG 3.47Å; E447-K451 PolarHBondContact O-N 3.34Å
448L90.5Very high84.3Confident60 Ų6049.9 Ų49.931%0.31426%0.257SS..Hα-helixtrans-66-42.7174.4-177.969.9000111.8Y425 R444 I445 F446 L450 K451 K452Y425-L448 HydrophobicContact CE1-CD2 4.03Å; Y425-L448 HydrophobicContact CE1-CG 4.06Å; R444-L448 VanDerWaalsContact O-CB 3.3Å; R444-L448 WeakPolarHBondContact O-CB 3.37Å; R444-L448 PolarHBondContact O-N 2.86Å; I445-L448 WeakPolarHBondContact O-CB 3.44Å; I445-L448 PolarHBondContact O-N 3.18Å; F446-L448 VanDerWaalsContact C-N 3.28Å; F446-L448 PolarHBondContact O-N 3.45Å; L448-L450 VanDerWaalsContact C-N 3.34Å; L448-K451 PolarHBondContact O-N 3.16Å; L448-K452 PolarHBondContact O-N 3.06Å
449G88.7Confident84.4Confident0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-64.2-38.317600000112.2Y425 I445 F446 K451 K452 F453Y425-G449 VanDerWaalsContact CD1-CA 3.48Å; I445-G449 PolarHBondContact O-N 3.48Å; F446-G449 PolarHBondContact O-N 2.83Å; F446-G449 VanDerWaalsContact O-N 3.15Å; G449-K451 VanDerWaalsContact C-N 3.29Å; G449-K451 PolarHBondContact O-N 3.35Å; G449-K452 PolarHBondContact O-N 2.92Å; G449-F453 PolarHBondContact O-N 3.29Å
450L83.1Confident84.1Confident31 Ų3147 Ų4716%0.16224%0.24CC..Hα-helixtrans-65.4-34.2-180-167.567.7000111.8F446 E447 L448 F453 P454 F459F446-L450 WeakPolarHBondContact O-CB 3.49Å; F446-L450 PolarHBondContact O-N 3.36Å; E447-L450 PolarHBondContact O-N 3.23Å; L448-L450 VanDerWaalsContact C-N 3.34Å; L450-F453 CarbonylContact O-C 3.56Å; L450-P454 VanDerWaalsContact O-CA 3.32Å; L450-P454 WeakPolarHBondContact O-CA 3.38Å; L450-F459 HydrophobicContact CB-CE1 4.12Å; L450-F459 HydrophobicContact CD1-CD1 4.39Å
451K86.6Confident83.7Confident174 Ų17444.2 Ų44.276%0.75722%0.22SC*.Hα-helixtrans-66-35.8172.5-70.3174-177177.70112.7E447 L448 G449E447-K451 WeakPolarHBondContact O-CG 3.47Å; E447-K451 PolarHBondContact O-N 3.34Å; L448-K451 PolarHBondContact O-N 3.16Å; G449-K451 VanDerWaalsContact C-N 3.29Å; G449-K451 PolarHBondContact O-N 3.35Å
452K88.3Confident83.4Confident85 Ų8544.7 Ų44.737%0.3722%0.224SC..Hα-helixtrans-82.3-36.6-179.5-170.4174.1178.7-178.80112.2R415 Y425 L448 G449 P454R415-K452 PolarHBondContact O-NZ 3.12Å; Y425-K452 HydrophobicContact CE2-CD 4.22Å; Y425-K452 WeakPolarHBondContact OH-CD 3.37Å; L448-K452 PolarHBondContact O-N 3.06Å; G449-K452 PolarHBondContact O-N 2.92Å; K452-P454 WeakPolarHBondContact O-CD 3.32Å
453F87.4Confident83Confident37 Ų3744.9 Ų44.916%0.16223%0.225CC..  trans-122.758.8-176.2-54.1-73.4000112.3V420 Y425 G449 L450 S455 D456V420-F453 WeakPolarHBondContact O-CZ 3.46Å; Y425-F453 AromaticContact CD2-CE2 3.81Å; Y425-F453 HydrophobicContact CD2-CE2 3.81Å; Y425-F453 AromaticContact CE2-CE2 3.66Å; Y425-F453 HydrophobicContact CE2-CE2 3.66Å; Y425-F453 HydrophobicContact CE2-CZ 4.44Å; G449-F453 PolarHBondContact O-N 3.29Å; L450-F453 CarbonylContact O-C 3.56Å; F453-S455 PolarHBondContact O-N 3.17Å; F453-D456 HydrophobicContact CB-CB 3.82Å; F453-D456 PolarHBondContact O-N 2.79Å
454P75.2Confident82.5Confident59 Ų5944.7 Ų44.738%0.38322%0.224SC..THydrogen-bonded Turntrans-69.7-19.6-175.828.8-36.3000113.4L450 K452L450-P454 VanDerWaalsContact O-CA 3.32Å; L450-P454 WeakPolarHBondContact O-CA 3.38Å; K452-P454 WeakPolarHBondContact O-CD 3.32Å
455S76Confident81.8Confident77 Ų7738.7 Ų38.754%0.53820%0.203SC..THydrogen-bonded Turntrans-97.7-4.7178.953.50000113.6F453 S457F453-S455 PolarHBondContact O-N 3.17Å; S455-S457 PolarHBondContact O-N 3.3Å
456D79.6Confident81.2Confident41 Ų4138.2 Ų38.222%0.21920%0.2CC..  trans-84.3104.9177.9-171-20.8000109.7S422 F453 D458 F459 A460S422-D456 WeakPolarHBondContact CB-OD2 3.45Å; S422-D456 PolarHBondContact OG-OD2 3Å; F453-D456 HydrophobicContact CB-CB 3.82Å; F453-D456 PolarHBondContact O-N 2.79Å; D456-D458 VanDerWaalsContact C-N 3.35Å; D456-D458 PolarHBondContact OD1-N 2.83Å; D456-F459 HydrophobicContact CB-CB 4.02Å; D456-F459 PolarHBondContact OD1-N 3.35Å; D456-A460 PolarHBondContact O-N 2.98Å
457S71.6Confident80.6Confident14 Ų1438.5 Ų38.510%0.09820%0.201CC..Hα-helixtrans-74.5-26-177.655.30000113.4S455 A460 L461 C525S455-S457 PolarHBondContact O-N 3.3Å; S457-A460 PolarHBondContact O-N 3.01Å; S457-L461 WeakPolarHBondContact O-CB 3.46Å; S457-L461 VanDerWaalsContact O-CG 3.28Å; S457-L461 WeakPolarHBondContact O-CG 3.47Å; S457-L461 PolarHBondContact O-N 2.7Å; S457-C525 WeakPolarHBondContact OG-CB 3.47Å; S457-C525 PolarHBondContact OG-SG 3.22Å
458D77.9Confident79.8Confident54 Ų5436.3 Ų36.329%0.28919%0.192SC..Hα-helixtrans-73.6-34.5178.1-64.9-26000110.4D456 L461 S462 F521 C525D456-D458 VanDerWaalsContact C-N 3.35Å; D456-D458 PolarHBondContact OD1-N 2.83Å; D458-L461 PolarHBondContact O-N 3.34Å; D458-S462 WeakPolarHBondContact O-CB 3.48Å; D458-S462 PolarHBondContact O-N 3.48Å; D458-S462 PolarHBondContact O-OG 3.17Å; D458-F521 WeakPolarHBondContact OD2-CZ 3.47Å; D458-C525 PolarHBondContact OD1-SG 3.23Å
459F84.1Confident78.8Confident0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-63-46.5169.7-173.4-102.9000112.2T426 F446 L450 D456 L461 S462 Y463T426-F459 WeakPolarHBondContact OG1-CD2 3.31Å; F446-F459 HydrophobicContact CD1-CE2 4.11Å; F446-F459 AromaticContact CD1-CZ 3.81Å; F446-F459 HydrophobicContact CD1-CZ 3.81Å; F446-F459 HydrophobicContact CE1-CE2 4.45Å; F446-F459 WeakPolarHBondContact O-CE1 3.21Å; L450-F459 HydrophobicContact CB-CE1 4.12Å; L450-F459 HydrophobicContact CD1-CD1 4.39Å; D456-F459 HydrophobicContact CB-CB 4.02Å; D456-F459 PolarHBondContact OD1-N 3.35Å; F459-L461 VanDerWaalsContact C-N 3.32Å; F459-L461 PolarHBondContact O-N 3.49Å; F459-S462 WeakPolarHBondContact O-CB 3.31Å; F459-S462 PolarHBondContact O-N 2.96Å; F459-S462 VanDerWaalsContact O-N 3.14Å; F459-Y463 PolarHBondContact O-N 2.99Å
460A75.6Confident77.6Confident2 Ų241.3 Ų41.32%0.01721%0.213CC..Hα-helixtrans-61.3-40.4177.100000112.2D456 S457 S462 Y463 T464 L486 L529D456-A460 PolarHBondContact O-N 2.98Å; S457-A460 PolarHBondContact O-N 3.01Å; A460-S462 VanDerWaalsContact C-N 3.34Å; A460-Y463 PolarHBondContact O-N 3.27Å; A460-T464 WeakPolarHBondContact O-CB 2.9Å; A460-T464 WeakPolarHBondContact O-CG2 3.47Å; A460-T464 PolarHBondContact O-N 2.97Å; A460-T464 PolarHBondContact O-OG1 2.92Å; A460-L486 HydrophobicContact CB-CD1 4.29Å; A460-L486 HydrophobicContact CB-CD2 4.2Å; A460-L529 HydrophobicContact CB-CD2 4.47Å
461L77.3Confident76.4Confident7 Ų744.7 Ų44.74%0.03723%0.231CC..Hα-helixtrans-63-39173.4-76167.4000112.4S457 D458 F459 T464 N465 C525 A528 L529S457-L461 WeakPolarHBondContact O-CB 3.46Å; S457-L461 VanDerWaalsContact O-CG 3.28Å; S457-L461 WeakPolarHBondContact O-CG 3.47Å; S457-L461 PolarHBondContact O-N 2.7Å; D458-L461 PolarHBondContact O-N 3.34Å; F459-L461 VanDerWaalsContact C-N 3.32Å; F459-L461 PolarHBondContact O-N 3.49Å; L461-T464 VanDerWaalsContact CA-OG1 3.24Å; L461-T464 WeakPolarHBondContact CA-OG1 3.44Å; L461-T464 PolarHBondContact O-OG1 3.18Å; L461-N465 VanDerWaalsContact O-CB 3.32Å; L461-N465 WeakPolarHBondContact O-CB 3.45Å; L461-N465 VanDerWaalsContact O-CG 3.31Å; L461-N465 PolarHBondContact O-N 3.21Å; L461-N465 PolarHBondContact O-ND2 3.25Å; L461-N465 VanDerWaalsContact O-ND2 3.12Å; L461-C525 HydrophobicContact CD1-CB 3.94Å; L461-A528 HydrophobicContact CD1-CB 3.74Å; L461-A528 HydrophobicContact CD2-CB 3.51Å; L461-A528 HydrophobicContact CG-CB 4.28Å; L461-L529 HydrophobicContact CD2-CB 4.4Å; L461-L529 HydrophobicContact CD2-CD2 3.63Å; L461-L529 HydrophobicContact CD2-CG 3.68Å; L461-L529 HydrophobicContact CG-CD2 4.03Å; L461-L529 HydrophobicContact CG-CG 4.1Å
462S81.4Confident74.6Confident30 Ų3037 Ų3721%0.2120%0.201CC..Hα-helixtrans-66.4-42.4177.5-60.40000111.6D458 F459 A460 F466D458-S462 WeakPolarHBondContact O-CB 3.48Å; D458-S462 PolarHBondContact O-N 3.48Å; D458-S462 PolarHBondContact O-OG 3.17Å; F459-S462 WeakPolarHBondContact O-CB 3.31Å; F459-S462 PolarHBondContact O-N 2.96Å; F459-S462 VanDerWaalsContact O-N 3.14Å; A460-S462 VanDerWaalsContact C-N 3.34Å; S462-F466 WeakPolarHBondContact O-CB 3.44Å; S462-F466 PolarHBondContact O-N 2.65Å
463Y80.8Confident72.6Confident5 Ų536.7 Ų36.72%0.0220%0.203CC..Hα-helixtrans-67.5-44.3177.6-179-150.3000112.4F446 F459 A460 F466 L467 C482F446-Y463 HydrophobicContact CB-CD1 4.14Å; F446-Y463 HydrophobicContact CB-CD2 3.27Å; F446-Y463 HydrophobicContact CB-CE1 4.24Å; F446-Y463 HydrophobicContact CB-CE2 3.4Å; F446-Y463 HydrophobicContact CB-CG 3.68Å; F446-Y463 AromaticContact CD1-CD2 3.72Å; F446-Y463 HydrophobicContact CD1-CD2 3.72Å; F446-Y463 AromaticContact CD1-CG 3.85Å; F446-Y463 HydrophobicContact CD1-CG 3.85Å; F446-Y463 AromaticContact CD2-CD2 3.53Å; F446-Y463 HydrophobicContact CD2-CD2 3.53Å; F446-Y463 AromaticContact CD2-CE2 3.9Å; F446-Y463 HydrophobicContact CD2-CE2 3.9Å; F446-Y463 HydrophobicContact CD2-CG 4.47Å; F446-Y463 HydrophobicContact CE1-CD2 4.4Å; F446-Y463 HydrophobicContact CE2-CD2 4.25Å; F446-Y463 AromaticContact CG-CD2 3.22Å; F446-Y463 HydrophobicContact CG-CD2 3.22Å; F446-Y463 AromaticContact CG-CE2 3.77Å; F446-Y463 HydrophobicContact CG-CE2 3.77Å; F446-Y463 AromaticContact CG-CG 3.77Å; F446-Y463 HydrophobicContact CG-CG 3.77Å; F459-Y463 PolarHBondContact O-N 2.99Å; A460-Y463 PolarHBondContact O-N 3.27Å; Y463-F466 HydrophobicContact CD2-CD1 4.18Å; Y463-F466 HydrophobicContact CE2-CD1 4.3Å; Y463-F466 WeakPolarHBondContact O-CB 3.44Å; Y463-F466 PolarHBondContact O-N 3.35Å; Y463-L467 HydrophobicContact CD2-CD1 4.15Å; Y463-L467 HydrophobicContact CD2-CG 3.96Å; Y463-L467 HydrophobicContact CE1-CD1 4.18Å; Y463-L467 HydrophobicContact CE2-CD1 3.7Å; Y463-L467 HydrophobicContact CE2-CD2 3.78Å; Y463-L467 HydrophobicContact CE2-CG 3.61Å; Y463-L467 WeakPolarHBondContact O-CG 3.43Å; Y463-L467 PolarHBondContact O-N 3.34Å; Y463-C482 VanDerWaalsContact CD1-SG 3.54Å; Y463-C482 HydrophobicContact CE1-CB 4.27Å
464T73.3Confident70.6Confident17 Ų1738.1 Ų38.110%0.10421%0.212CC..Hα-helixtrans-61.8-45.2176.343.40000111.4A460 L461 F466 L467 L468 L529 Q532A460-T464 WeakPolarHBondContact O-CB 2.9Å; A460-T464 WeakPolarHBondContact O-CG2 3.47Å; A460-T464 PolarHBondContact O-N 2.97Å; A460-T464 PolarHBondContact O-OG1 2.92Å; L461-T464 VanDerWaalsContact CA-OG1 3.24Å; L461-T464 WeakPolarHBondContact CA-OG1 3.44Å; L461-T464 PolarHBondContact O-OG1 3.18Å; T464-F466 PolarHBondContact O-N 3.2Å; T464-L467 PolarHBondContact O-N 2.86Å; T464-L468 VanDerWaalsContact O-CG 3.22Å; T464-L468 WeakPolarHBondContact O-CG 3.44Å; T464-L468 PolarHBondContact O-N 3.07Å; T464-L529 HydrophobicContact CG2-CD2 3.95Å; T464-Q532 PolarHBondContact OG1-OE1 3.15Å
465N76.6Confident69.3Low18 Ų1836 Ų3610%0.09620%0.198CC..Hα-helixtrans-55.6-46.5171.1-81.1-36.6000112.7L461 L467 L468 H469 Q532 F605L461-N465 VanDerWaalsContact O-CB 3.32Å; L461-N465 WeakPolarHBondContact O-CB 3.45Å; L461-N465 VanDerWaalsContact O-CG 3.31Å; L461-N465 PolarHBondContact O-N 3.21Å; L461-N465 PolarHBondContact O-ND2 3.25Å; L461-N465 VanDerWaalsContact O-ND2 3.12Å; N465-L467 VanDerWaalsContact C-N 3.34Å; N465-L467 PolarHBondContact O-N 3.26Å; N465-L468 WeakPolarHBondContact O-CB 3.47Å; N465-L468 PolarHBondContact O-N 2.96Å; N465-H469 PolarHBondContact O-CD2 3.39Å; N465-H469 VanDerWaalsContact O-CD2 3.25Å; N465-H469 PolarHBondContact O-N 3.15Å; N465-H469 VanDerWaalsContact O-N 3.11Å; N465-Q532 VanDerWaalsContact CG-NE2 3.31Å; N465-Q532 PolarHBondContact ND2-NE2 3.29Å; N465-Q532 PolarHBondContact OD1-NE2 3.43Å; N465-Q532 PolarHBondContact OD1-OE1 3.14Å; N465-F605 HydrophobicContact CB-CE1 4.29Å; N465-F605 HydrophobicContact CB-CZ 4.31Å
466F77.7Confident67.8Low4 Ų435 Ų352%0.01819%0.188CC..Hα-helixtrans-56.3-46.8176.1168.5-99.7000112.2L430 Y433 A442 V443 F446 S462 Y463 T464 L468 H469 F470L430-F466 HydrophobicContact CD2-CD2 3.86Å; Y433-F466 HydrophobicContact CD1-CD2 4.49Å; Y433-F466 AromaticContact CD1-CE2 3.71Å; Y433-F466 HydrophobicContact CD1-CE2 3.71Å; Y433-F466 HydrophobicContact CD2-CE2 4.12Å; Y433-F466 HydrophobicContact CD2-CZ 4.25Å; Y433-F466 HydrophobicContact CE1-CE2 4.42Å; Y433-F466 AromaticContact CG-CE2 3.55Å; Y433-F466 HydrophobicContact CG-CE2 3.55Å; Y433-F466 HydrophobicContact CG-CZ 4.09Å; A442-F466 HydrophobicContact CB-CE1 4.19Å; A442-F466 HydrophobicContact CB-CE2 4.13Å; A442-F466 HydrophobicContact CB-CZ 3.52Å; V443-F466 HydrophobicContact CG2-CE1 4.06Å; F446-F466 AromaticContact CD2-CD1 3.63Å; F446-F466 HydrophobicContact CD2-CD1 3.63Å; F446-F466 AromaticContact CD2-CE1 3.96Å; F446-F466 HydrophobicContact CD2-CE1 3.96Å; F446-F466 HydrophobicContact CD2-CG 4.07Å; F446-F466 HydrophobicContact CE2-CB 3.7Å; F446-F466 AromaticContact CE2-CD1 3.36Å; F446-F466 HydrophobicContact CE2-CD1 3.36Å; F446-F466 AromaticContact CE2-CD2 3.8Å; F446-F466 HydrophobicContact CE2-CD2 3.8Å; F446-F466 AromaticContact CE2-CE1 3.89Å; F446-F466 HydrophobicContact CE2-CE1 3.89Å; F446-F466 HydrophobicContact CE2-CE2 4.26Å; F446-F466 AromaticContact CE2-CG 3.31Å; F446-F466 HydrophobicContact CE2-CG 3.31Å; F446-F466 HydrophobicContact CE2-CZ 4.31Å; F446-F466 HydrophobicContact CZ-CB 3.82Å; F446-F466 HydrophobicContact CZ-CD1 4.33Å; F446-F466 HydrophobicContact CZ-CD2 4.42Å; F446-F466 AromaticContact CZ-CG 3.94Å; F446-F466 HydrophobicContact CZ-CG 3.94Å; S462-F466 WeakPolarHBondContact O-CB 3.44Å; S462-F466 PolarHBondContact O-N 2.65Å; Y463-F466 HydrophobicContact CD2-CD1 4.18Å; Y463-F466 HydrophobicContact CE2-CD1 4.3Å; Y463-F466 WeakPolarHBondContact O-CB 3.44Å; Y463-F466 PolarHBondContact O-N 3.35Å; T464-F466 PolarHBondContact O-N 3.2Å; F466-L468 VanDerWaalsContact C-N 3.33Å; F466-L468 PolarHBondContact O-N 3.16Å; F466-H469 PolarHBondContact O-N 3.46Å; F466-F470 PolarHBondContact O-N 2.98Å
467L74.4Confident66Low5 Ų536.1 Ų36.13%0.02620%0.197CC..Hα-helixtrans-64.8-35.9177.4-68.1176.5000112.8V443 Y463 T464 N465 H469 L475 A478V443-L467 HydrophobicContact CG2-CD2 4.42Å; Y463-L467 HydrophobicContact CD2-CD1 4.15Å; Y463-L467 HydrophobicContact CD2-CG 3.96Å; Y463-L467 HydrophobicContact CE1-CD1 4.18Å; Y463-L467 HydrophobicContact CE2-CD1 3.7Å; Y463-L467 HydrophobicContact CE2-CD2 3.78Å; Y463-L467 HydrophobicContact CE2-CG 3.61Å; Y463-L467 WeakPolarHBondContact O-CG 3.43Å; Y463-L467 PolarHBondContact O-N 3.34Å; T464-L467 PolarHBondContact O-N 2.86Å; N465-L467 VanDerWaalsContact C-N 3.34Å; N465-L467 PolarHBondContact O-N 3.26Å; L467-H469 VanDerWaalsContact C-N 3.34Å; L467-L475 HydrophobicContact CB-CD1 3.98Å; L467-A478 HydrophobicContact CD1-CB 4.49Å
468L69.7Low64.6Low42 Ų4236.2 Ų36.222%0.2220%0.198CC..Hα-helixtrans-63.5-39.1177.6-72.1170.7000112.2T464 N465 F466 L475 Q532 F536T464-L468 VanDerWaalsContact O-CG 3.22Å; T464-L468 WeakPolarHBondContact O-CG 3.44Å; T464-L468 PolarHBondContact O-N 3.07Å; N465-L468 WeakPolarHBondContact O-CB 3.47Å; N465-L468 PolarHBondContact O-N 2.96Å; F466-L468 VanDerWaalsContact C-N 3.33Å; F466-L468 PolarHBondContact O-N 3.16Å; L468-L475 HydrophobicContact CD2-CD1 3.57Å; L468-L475 HydrophobicContact CG-CD1 4.03Å; L468-Q532 HydrophobicContact CD1-CB 4.09Å; L468-Q532 HydrophobicContact CD1-CG 4.39Å; L468-F536 HydrophobicContact CD2-CB 3.53Å; L468-F536 HydrophobicContact CD2-CD2 3.32Å; L468-F536 HydrophobicContact CD2-CE2 4.28Å; L468-F536 HydrophobicContact CD2-CG 3.72Å
469H69Low62.9Low112 Ų11233.8 Ų33.852%0.51919%0.186SC..Hα-helixtrans-77.6-31.8-178.1-82.6-81.1000113.6N465 F466 L467 F605N465-H469 PolarHBondContact O-CD2 3.39Å; N465-H469 VanDerWaalsContact O-CD2 3.25Å; N465-H469 PolarHBondContact O-N 3.15Å; N465-H469 VanDerWaalsContact O-N 3.11Å; F466-H469 PolarHBondContact O-N 3.46Å; L467-H469 VanDerWaalsContact C-N 3.34Å; H469-F605 AromaticContact CD2-CE1 3.57Å; H469-F605 AromaticContact NE2-CE1 3.79Å
470F65Low61.1Low54 Ų5436.2 Ų36.224%0.23720%0.201CC..Hα-helixtrans-78.4-37.6-166.5-178.3-129.2000114.8Y433 A439 F466 L474Y433-F470 HydrophobicContact CD2-CD2 4.35Å; Y433-F470 HydrophobicContact CD2-CE2 4.34Å; Y433-F470 HydrophobicContact CE1-CD2 4.36Å; Y433-F470 AromaticContact CE2-CD2 3.23Å; Y433-F470 HydrophobicContact CE2-CD2 3.23Å; Y433-F470 AromaticContact CE2-CE2 3.19Å; Y433-F470 HydrophobicContact CE2-CE2 3.19Å; Y433-F470 AromaticContact CE2-CG 3.98Å; Y433-F470 HydrophobicContact CE2-CG 3.98Å; Y433-F470 AromaticContact CE2-CZ 3.93Å; Y433-F470 HydrophobicContact CE2-CZ 3.93Å; Y433-F470 AromaticContact CZ-CD2 3.25Å; Y433-F470 AromaticContact CZ-CE2 3.59Å; Y433-F470 WeakPolarHBondContact OH-CD2 3.36Å; Y433-F470 VanDerWaalsContact OH-CE2 3.28Å; Y433-F470 WeakPolarHBondContact OH-CE2 3.44Å; A439-F470 HydrophobicContact CB-CD1 3.84Å; A439-F470 HydrophobicContact CB-CE1 3.11Å; A439-F470 HydrophobicContact CB-CE2 4.09Å; A439-F470 HydrophobicContact CB-CZ 3.24Å; F466-F470 PolarHBondContact O-N 2.98Å; F470-L474 HydrophobicContact CD1-CD1 4.22Å; F470-L474 HydrophobicContact CE1-CD1 4.31Å
471N56Low59.6Low101 Ų10140.8 Ų40.854%0.5423%0.225SC..  trans169.2112.4173.5-93.3-46.7000106.1I473 L474N471-I473 PolarHBondContact O-N 2.86Å; N471-L474 PolarHBondContact O-N 3.1Å; N471-L474 VanDerWaalsContact O-N 3.12Å
472G50.5Low58.1Low12 Ų1240.7 Ų40.712%0.12423%0.225CC..THydrogen-bonded Turntrans-56-7.1-17400000116.5L475G472-L475 PolarHBondContact O-N 3.08Å
473I45.8Very low56.5Low80 Ų8040.7 Ų40.741%0.4122%0.222SC..THydrogen-bonded Turntrans-66.5-33.8175.6-60.3171.2000112.3N471 L475 T476N471-I473 PolarHBondContact O-N 2.86Å; I473-L475 VanDerWaalsContact C-N 3.34Å; I473-T476 PolarHBondContact O-OG1 3.14Å; I473-T476 VanDerWaalsContact O-OG1 3.08Å
474L45.7Very low54.8Low67 Ų6742.5 Ų42.535%0.35123%0.234SC..G310 helixtrans-78.4-15.3178.5-92156.6000113.6F470 N471 T476 T477 A478 G479F470-L474 HydrophobicContact CD1-CD1 4.22Å; F470-L474 HydrophobicContact CE1-CD1 4.31Å; N471-L474 PolarHBondContact O-N 3.1Å; N471-L474 VanDerWaalsContact O-N 3.12Å; L474-T476 PolarHBondContact O-N 2.85Å; L474-T477 PolarHBondContact O-N 3.47Å; L474-A478 WeakPolarHBondContact O-CB 3.27Å; L474-A478 PolarHBondContact O-N 3.33Å; L474-G479 PolarHBondContact O-N 3.06Å
475L47.2Very low53.5Low15 Ų1546.4 Ų46.48%0.07925%0.251CS..G310 helixtrans-66.5-18.7175.4-119.5118.4000112.5L467 L468 G472 I473 G479 T480 F536L467-L475 HydrophobicContact CB-CD1 3.98Å; L468-L475 HydrophobicContact CD2-CD1 3.57Å; L468-L475 HydrophobicContact CG-CD1 4.03Å; G472-L475 PolarHBondContact O-N 3.08Å; I473-L475 VanDerWaalsContact C-N 3.34Å; L475-G479 CarbonylContact O-C 3.6Å; L475-G479 WeakPolarHBondContact O-CA 3.45Å; L475-G479 PolarHBondContact O-N 2.82Å; L475-T480 PolarHBondContact O-N 2.71Å; L475-F536 HydrophobicContact CB-CE1 4.09Å; L475-F536 HydrophobicContact CB-CE2 3.75Å; L475-F536 HydrophobicContact CB-CZ 3.46Å; L475-F536 VanDerWaalsContact CB-CZ 3.46Å; L475-F536 HydrophobicContact CD1-CD2 3.94Å; L475-F536 HydrophobicContact CD1-CE2 3.73Å; L475-F536 HydrophobicContact CD1-CZ 4.28Å; L475-F536 HydrophobicContact CD2-CD1 3.9Å; L475-F536 HydrophobicContact CD2-CD2 4.19Å; L475-F536 HydrophobicContact CD2-CE1 3.86Å; L475-F536 HydrophobicContact CD2-CE2 4.1Å; L475-F536 HydrophobicContact CD2-CG 4.05Å; L475-F536 HydrophobicContact CD2-CZ 3.96Å; L475-F536 HydrophobicContact CG-CD2 4.46Å; L475-F536 HydrophobicContact CG-CE1 4.48Å; L475-F536 HydrophobicContact CG-CE2 4.05Å; L475-F536 HydrophobicContact CG-CZ 4.09Å
476T43.6Very low52Low55 Ų5546.9 Ų46.934%0.33725%0.253SS..G310 helixtrans-84-10.917964.50000114.7I473 L474 T480 Y770I473-T476 PolarHBondContact O-OG1 3.14Å; I473-T476 VanDerWaalsContact O-OG1 3.08Å; L474-T476 PolarHBondContact O-N 2.85Å; T476-T480 PolarHBondContact O-OG1 3.14Å; T476-Y770 HydrophobicContact CG2-CD2 4.28Å; T476-Y770 HydrophobicContact CG2-CE2 3.79Å
477T43.6Very low50.4Low65 Ų6552.1 Ų52.140%0.39928%0.278SS..THydrogen-bonded Turntrans-123.5-38.2175400000113L474 T480 N481L474-T477 PolarHBondContact O-N 3.47Å; T477-T480 PolarHBondContact N-OG1 3.1Å; T477-N481 WeakPolarHBondContact O-CB 3.4Å; T477-N481 PolarHBondContact O-ND2 2.75Å
478A40.7Very low48.7Very low15 Ų1560 Ų6012%0.12431%0.307CS..THydrogen-bonded Turntrans-95.9-36.2175.400000112L467 L474 N481 C482L467-A478 HydrophobicContact CD1-CB 4.49Å; L474-A478 WeakPolarHBondContact O-CB 3.27Å; L474-A478 PolarHBondContact O-N 3.33Å; A478-N481 CarbonylContact O-C 3.59Å; A478-N481 PolarHBondContact O-N 3.18Å; A478-C482 WeakPolarHBondContact O-CB 3.13Å; A478-C482 PolarHBondContact O-N 2.69Å
479G42.8Very low47.1Very low3 Ų359.5 Ų59.53%0.03131%0.306CS..Hα-helixtrans-74.8-38.7177.700000113.8L474 L475 C482 L483L474-G479 PolarHBondContact O-N 3.06Å; L475-G479 CarbonylContact O-C 3.6Å; L475-G479 WeakPolarHBondContact O-CA 3.45Å; L475-G479 PolarHBondContact O-N 2.82Å; G479-C482 PolarHBondContact O-N 3.31Å; G479-L483 VanDerWaalsContact O-CB 3.3Å; G479-L483 WeakPolarHBondContact O-CB 3.48Å; G479-L483 WeakPolarHBondContact O-CG 3.35Å; G479-L483 PolarHBondContact O-N 2.93Å
480T46Very low45.5Very low52 Ų5259.4 Ų59.432%0.31932%0.315SS..Hα-helixtrans-65.4-42.4168.145.80000109.7L475 T476 T477 C482 L483 V484L475-T480 PolarHBondContact O-N 2.71Å; T476-T480 PolarHBondContact O-OG1 3.14Å; T477-T480 PolarHBondContact N-OG1 3.1Å; T480-C482 VanDerWaalsContact C-N 3.34Å; T480-C482 PolarHBondContact O-N 3.25Å; T480-L483 PolarHBondContact O-N 2.62Å; T480-V484 WeakPolarHBondContact O-CA 3.46Å; T480-V484 WeakPolarHBondContact O-CB 3.28Å; T480-V484 WeakPolarHBondContact O-CG2 3.44Å; T480-V484 PolarHBondContact O-N 2.94Å
481N43.6Very low44.1Very low98 Ų9861.3 Ų61.352%0.52434%0.341SS..Hα-helixtrans-66.8-33.6173.5-78.1-9.6000112.7T477 A478 E485T477-N481 WeakPolarHBondContact O-CB 3.4Å; T477-N481 PolarHBondContact O-ND2 2.75Å; A478-N481 CarbonylContact O-C 3.59Å; A478-N481 PolarHBondContact O-N 3.18Å; N481-E485 WeakPolarHBondContact O-CA 3.32Å; N481-E485 WeakPolarHBondContact O-CB 2.87Å; N481-E485 WeakPolarHBondContact O-CG 3.17Å; N481-E485 PolarHBondContact O-N 3.27Å
482C46.8Very low43.1Very low5 Ų559 Ų593%0.03433%0.326CS..Hα-helixtrans-72.5-42.2176.8-161.50000110.8Y463 A478 G479 T480 L486Y463-C482 VanDerWaalsContact CD1-SG 3.54Å; Y463-C482 HydrophobicContact CE1-CB 4.27Å; A478-C482 WeakPolarHBondContact O-CB 3.13Å; A478-C482 PolarHBondContact O-N 2.69Å; G479-C482 PolarHBondContact O-N 3.31Å; T480-C482 VanDerWaalsContact C-N 3.34Å; T480-C482 PolarHBondContact O-N 3.25Å; C482-L486 WeakPolarHBondContact O-CB 3.32Å; C482-L486 VanDerWaalsContact O-CD1 3.27Å; C482-L486 WeakPolarHBondContact O-CD1 3.28Å; C482-L486 WeakPolarHBondContact O-CG 3.41Å; C482-L486 PolarHBondContact O-N 3.42Å
483L47.5Very low41.9Very low30 Ų3061 Ų6116%0.15735%0.347CS..Hα-helixtrans-70-35.9173.1-75.8164.4000112.2G479 T480 Q487 Y533G479-L483 VanDerWaalsContact O-CB 3.3Å; G479-L483 WeakPolarHBondContact O-CB 3.48Å; G479-L483 WeakPolarHBondContact O-CG 3.35Å; G479-L483 PolarHBondContact O-N 2.93Å; T480-L483 PolarHBondContact O-N 2.62Å; L483-Q487 VanDerWaalsContact O-CB 3.27Å; L483-Q487 WeakPolarHBondContact O-CB 3.45Å; L483-Q487 WeakPolarHBondContact O-CG 3.4Å; L483-Q487 PolarHBondContact O-N 3.25Å; L483-Y533 HydrophobicContact CD1-CD1 3.57Å; L483-Y533 HydrophobicContact CD1-CD2 4.24Å; L483-Y533 HydrophobicContact CD1-CE1 3.54Å; L483-Y533 HydrophobicContact CD1-CE2 4.25Å; L483-Y533 HydrophobicContact CD1-CG 3.95Å; L483-Y533 HydrophobicContact CD2-CD1 4.34Å
484V46Very low40.9Very low43 Ų4362.7 Ų62.726%0.26137%0.365SS..Hα-helixtrans-73-35.2175.5169.30000110.7T480 Q487 R488T480-V484 WeakPolarHBondContact O-CA 3.46Å; T480-V484 WeakPolarHBondContact O-CB 3.28Å; T480-V484 WeakPolarHBondContact O-CG2 3.44Å; T480-V484 PolarHBondContact O-N 2.94Å; V484-Q487 CarbonylContact O-C 3.47Å; V484-Q487 PolarHBondContact O-N 3.35Å; V484-R488 HydrophobicContact CG1-CG 4.18Å; V484-R488 WeakPolarHBondContact O-CB 3.4Å; V484-R488 WeakPolarHBondContact O-CG 3.48Å; V484-R488 PolarHBondContact O-N 3.45Å
485E44.8Very low39.9Very low98 Ų9866.2 Ų66.246%0.45839%0.393SS..Hα-helixtrans-73-38.5171.3-85.2-65.8172.900112.1N481 Q487 R488 T489N481-E485 WeakPolarHBondContact O-CA 3.32Å; N481-E485 WeakPolarHBondContact O-CB 2.87Å; N481-E485 WeakPolarHBondContact O-CG 3.17Å; N481-E485 PolarHBondContact O-N 3.27Å; E485-Q487 PolarHBondContact O-N 3.11Å; E485-R488 PolarHBondContact O-N 3.18Å; E485-R488 VanDerWaalsContact O-N 3.15Å; E485-T489 WeakPolarHBondContact O-CB 3.25Å; E485-T489 WeakPolarHBondContact O-CG2 3.48Å; E485-T489 PolarHBondContact O-N 2.96Å; E485-T489 PolarHBondContact O-OG1 3.5Å
486L45.7Very low38.9Very low29 Ų2970.1 Ų70.115%0.15242%0.422CS..Hα-helixtrans-64.5-23.2169.7-72.6164.7000111.9A460 C482 T489 L529A460-L486 HydrophobicContact CB-CD1 4.29Å; A460-L486 HydrophobicContact CB-CD2 4.2Å; C482-L486 WeakPolarHBondContact O-CB 3.32Å; C482-L486 VanDerWaalsContact O-CD1 3.27Å; C482-L486 WeakPolarHBondContact O-CD1 3.28Å; C482-L486 WeakPolarHBondContact O-CG 3.41Å; C482-L486 PolarHBondContact O-N 3.42Å; L486-T489 PolarHBondContact O-OG1 3.48Å; L486-L529 HydrophobicContact CD1-CD1 4.38Å
487Q43.7Very low38.2Very low113 Ų11375.1 Ų75.153%0.52845%0.446SS..Hα-helixtrans-88-28.1170.6-76.9173.9-17.200113.7L483 V484 E485L483-Q487 VanDerWaalsContact O-CB 3.27Å; L483-Q487 WeakPolarHBondContact O-CB 3.45Å; L483-Q487 WeakPolarHBondContact O-CG 3.4Å; L483-Q487 PolarHBondContact O-N 3.25Å; V484-Q487 CarbonylContact O-C 3.47Å; V484-Q487 PolarHBondContact O-N 3.35Å; E485-Q487 PolarHBondContact O-N 3.11Å
488R38Very low37.4Very low171 Ų17180.6 Ų80.665%0.64547%0.467SS*.Hα-helixtrans-89.5-18.2-177.8-81.9178.6172.4153.8-1.1113.9V484 E485 P490V484-R488 HydrophobicContact CG1-CG 4.18Å; V484-R488 WeakPolarHBondContact O-CB 3.4Å; V484-R488 WeakPolarHBondContact O-CG 3.48Å; V484-R488 PolarHBondContact O-N 3.45Å; E485-R488 PolarHBondContact O-N 3.18Å; E485-R488 VanDerWaalsContact O-N 3.15Å; R488-P490 WeakPolarHBondContact O-CD 3.37Å; R488-P490 VanDerWaalsContact O-N 3.15Å
489T36.6Very low36.7Very low32 Ų3289.6 Ų89.620%0.19650%0.504CS..  trans-63.5110.5174.835.70000109.9E485 L486 A491 F492E485-T489 WeakPolarHBondContact O-CB 3.25Å; E485-T489 WeakPolarHBondContact O-CG2 3.48Å; E485-T489 PolarHBondContact O-N 2.96Å; E485-T489 PolarHBondContact O-OG1 3.5Å; L486-T489 PolarHBondContact O-OG1 3.48Å; T489-A491 PolarHBondContact O-N 3.4Å; T489-F492 PolarHBondContact O-N 2.95Å
490P35.2Very low36Very low110 Ų11096 Ų9671%0.71455%0.547SS*.G310 helixtrans-64.8-11-173.4-19.332.1000113.8R488 F492R488-P490 WeakPolarHBondContact O-CD 3.37Å; R488-P490 VanDerWaalsContact O-N 3.15Å; P490-F492 PolarHBondContact O-N 3.04Å
491A35.7Very low35.1Very low93 Ų93101.3 Ų101.377%0.76957%0.572SS**G310 helixtrans-74-6.4173.300000113.6T489T489-A491 PolarHBondContact O-N 3.4Å
492F34.9Very low34.6Very low52 Ų52102.2 Ų102.223%0.22858%0.584CS.*G310 helixtrans-114.5-0.1-176.6-83.3-97.3000114.8T489 P490 R526T489-F492 PolarHBondContact O-N 2.95Å; P490-F492 PolarHBondContact O-N 3.04Å; F492-R526 PolarHBondContact O-NH2 3.17Å
493G25.9Very low33.6Very low55 Ų55107 Ų10757%0.56762%0.624SS**  trans-150.397.517400000112.2
494C25.3Very low32.7Very low116 Ų116113.4 Ų113.478%0.78466%0.656SS**  trans-158.690.6163.5-109.60000110
495C24Very low31.6Very low141 Ų141117.2 Ų117.295%0.95368%0.683SS**  trans-146.456.1153-87.80000107.6
496S26.8Very low30.7Very low97 Ų97120.7 Ų120.768%0.67870%0.704SS**SBendtrans-161.578.5165.255.80000106.9
497N28.4Very low29.7Very low159 Ų159130.2 Ų130.285%0.8574%0.738SS**  trans179118.2141.6-85.3-13000107.7
498E27Very low28.8Very low180 Ų180135.2 Ų135.284%0.84176%0.758SS**  trans-47.9143.8157.8-62173.2155.800108.4
499F26Very low28.3Very low204 Ų204131.1 Ų131.190%0.89576%0.756SS**  trans93.577-172.6-68.2-96000117.2
500C27.6Very low27.7Very low137 Ų137140 Ų14093%0.92679%0.786SS**  trans-166.990.1131.4-116.20000111.6
501L27.4Very low27.3Very low164 Ų164140 Ų14086%0.85979%0.787SS**  trans-87.6164.7157.3-77.1163.6000108.7
502P32.4Very low27Very low118 Ų118145.6 Ų145.677%0.76679%0.794SS**  cis-138.9133.1-24.432.5-12.4000113.8
503A27.4Very low26.9Very low105 Ų105149.3 Ų149.387%0.86882%0.815SS**SBendtrans-141.113.1164.100000114.6
504I27.4Very low27Very low165 Ų165149 Ų14985%0.84681%0.812SS**  trans-12373.9-178.4-54.3176.8000109
505C24.1Very low27.3Very low122 Ų122149.7 Ų149.782%0.82481%0.808SS**  trans-137.385.6160.8-890000107
506L25.4Very low27.4Very low171 Ų171149.7 Ų149.790%0.89579%0.792SS**SBendtrans174.465.6152.8-94.9166.9000111
507W25.4Very low27.4Very low230 Ų230151.3 Ų151.387%0.87179%0.787SS**  trans-164.369.1147.7-130.242.5000111.8
508K24.7Very low27.4Very low218 Ų218152.7 Ų152.795%0.94878%0.78SS**  trans-83102156.3-84.3-178.4176177.20107.1
509S26.4Very low27.5Very low85 Ų85147.1 Ų147.159%0.59477%0.766SS**SBendtrans154.5126.8147-174.50000110.3
510R24.6Very low27.6Very low218 Ų218141.4 Ų141.482%0.82374%0.744SS**SBendtrans70.389169.2-65.4173.6172.8-170.2-3.1117.8
511C27.1Very low27.6Very low110 Ų110140.6 Ų140.674%0.74373%0.725SS**  trans169.386.7132.5-87.80000110.2L513C511-L513 PolarHBondContact O-N 3.35Å
512K29.4Very low28.1Very low211 Ų211135.9 Ų135.992%0.91770%0.7SS**SBendtrans-86.38.8-176.5-96.3-172.8178-176.60115.7
513L32.1Very low28.8Very low129 Ų129132 Ų13268%0.67567%0.671SS**SBendtrans-108.6-28.3176.8-9682.1000114.8C511 N515 F517C511-L513 PolarHBondContact O-N 3.35Å; L513-N515 PolarHBondContact O-N 3.29Å; L513-F517 WeakPolarHBondContact O-CD2 3.42Å
514G28.9Very low29.8Very low48 Ų48129.5 Ų129.550%0.49565%0.647SS.*Hα-helixtrans-70.8-33.8-170.800000115.9R518G514-R518 PolarHBondContact O-N 2.76Å
515N30.2Very low31Very low131 Ų131122 Ų12270%0.70161%0.61SS**Hα-helixtrans-78.3-24.4-178.2-73.4-16.7000113.3L513 A519L513-N515 PolarHBondContact O-N 3.29Å; N515-A519 PolarHBondContact O-N 3.27Å
516F27.4Very low32.7Very low141 Ų141121.5 Ų121.562%0.61859%0.591SS**Hα-helixtrans-68.7-45.3176.7-171.4-98.7000111A519 L520F516-A519 PolarHBondContact O-N 3.39Å; F516-L520 HydrophobicContact CE1-CD1 4.02Å; F516-L520 HydrophobicContact CZ-CD1 4.12Å; F516-L520 WeakPolarHBondContact O-CB 3.41Å; F516-L520 PolarHBondContact O-N 2.64Å
517F26.2Very low34.6Very low132 Ų132114.3 Ų114.358%0.57955%0.551SS**Hα-helixtrans-65.2-39.2176.4-76.2-75.6000112.8L513 A519 L520 F521L513-F517 WeakPolarHBondContact O-CD2 3.42Å; F517-A519 VanDerWaalsContact C-N 3.35Å; F517-A519 PolarHBondContact O-N 2.99Å; F517-L520 PolarHBondContact O-N 3.19Å; F517-F521 VanDerWaalsContact O-CB 3.23Å; F517-F521 WeakPolarHBondContact O-CB 3.31Å; F517-F521 PolarHBondContact O-N 3.38Å
518R28.1Very low36.6Very low187 Ų187103.7 Ų103.771%0.70651%0.513SS*.Hα-helixtrans-66-37.3179.8-158170.3177.5156-0.8112.4G514 L522G514-R518 PolarHBondContact O-N 2.76Å; R518-L522 WeakPolarHBondContact O-CB 3.07Å; R518-L522 WeakPolarHBondContact O-CG 3.45Å; R518-L522 PolarHBondContact O-N 3.43Å
519A29.3Very low38.6Very low64 Ų6494.5 Ų94.553%0.52947%0.474SS..Hα-helixtrans-69-42.2172.400000112.1N515 F516 F517 F521 F523N515-A519 PolarHBondContact O-N 3.27Å; F516-A519 PolarHBondContact O-N 3.39Å; F517-A519 VanDerWaalsContact C-N 3.35Å; F517-A519 PolarHBondContact O-N 2.99Å; A519-F521 VanDerWaalsContact C-N 3.32Å; A519-F521 PolarHBondContact O-N 3.45Å; A519-F523 WeakPolarHBondContact O-CB 3.37Å; A519-F523 PolarHBondContact O-N 3.11Å
520L27.6Very low40.9Very low84 Ų8492.3 Ų92.344%0.4445%0.453SS..Hα-helixtrans-65.7-33.2177.6-137.492.2000113.1F516 F517 F523 S524F516-L520 HydrophobicContact CE1-CD1 4.02Å; F516-L520 HydrophobicContact CZ-CD1 4.12Å; F516-L520 WeakPolarHBondContact O-CB 3.41Å; F516-L520 PolarHBondContact O-N 2.64Å; F517-L520 PolarHBondContact O-N 3.19Å; L520-F523 WeakPolarHBondContact O-CB 3.29Å; L520-S524 PolarHBondContact O-N 2.95Å; L520-S524 PolarHBondContact O-OG 3.45Å
521F29.2Very low43.2Very low119 Ų11983.4 Ų83.452%0.52242%0.421SS..Hα-helixtrans-75.8-50.3-178.7-160.9-92.2000111.4D458 F517 A519 F523 S524 C525D458-F521 WeakPolarHBondContact OD2-CZ 3.47Å; F517-F521 VanDerWaalsContact O-CB 3.23Å; F517-F521 WeakPolarHBondContact O-CB 3.31Å; F517-F521 PolarHBondContact O-N 3.38Å; A519-F521 VanDerWaalsContact C-N 3.32Å; A519-F521 PolarHBondContact O-N 3.45Å; F521-F523 PolarHBondContact O-N 3.01Å; F521-F523 VanDerWaalsContact O-N 3.17Å; F521-S524 PolarHBondContact O-N 2.94Å; F521-C525 PolarHBondContact O-N 3.3Å
522L37.8Very low45.2Very low66 Ų6679.4 Ų79.435%0.34639%0.392SS..Hα-helixtrans-58.8-29.4171.8-71170.6000112R518 R526R518-L522 WeakPolarHBondContact O-CB 3.07Å; R518-L522 WeakPolarHBondContact O-CG 3.45Å; R518-L522 PolarHBondContact O-N 3.43Å; L522-R526 WeakPolarHBondContact O-CG 3.32Å; L522-R526 PolarHBondContact O-N 3Å
523F46Very low47.3Very low36 Ų3670.9 Ų70.916%0.15835%0.354CS..Hα-helixtrans-71.4-46.6176.5171.8-100000113.4A519 L520 F521 C525 R526 R527 L557 F561A519-F523 WeakPolarHBondContact O-CB 3.37Å; A519-F523 PolarHBondContact O-N 3.11Å; L520-F523 WeakPolarHBondContact O-CB 3.29Å; F521-F523 PolarHBondContact O-N 3.01Å; F521-F523 VanDerWaalsContact O-N 3.17Å; F523-C525 VanDerWaalsContact C-N 3.26Å; F523-C525 PolarHBondContact O-N 2.9Å; F523-R526 PolarHBondContact O-N 3.39Å; F523-R527 PolarHBondContact O-N 3.32Å; F523-L557 HydrophobicContact CE2-CD2 4.01Å; F523-L557 HydrophobicContact CZ-CD2 4.47Å; F523-F561 HydrophobicContact CD1-CZ 4.32Å; F523-F561 HydrophobicContact CD2-CE2 4.3Å; F523-F561 HydrophobicContact CE1-CE1 4.47Å; F523-F561 AromaticContact CE1-CE2 3.56Å; F523-F561 HydrophobicContact CE1-CE2 3.56Å; F523-F561 AromaticContact CE1-CZ 3.33Å; F523-F561 HydrophobicContact CE1-CZ 3.33Å; F523-F561 HydrophobicContact CE2-CD2 4.17Å; F523-F561 AromaticContact CE2-CE2 3.28Å; F523-F561 HydrophobicContact CE2-CE2 3.28Å; F523-F561 AromaticContact CE2-CZ 3.98Å; F523-F561 HydrophobicContact CE2-CZ 3.98Å; F523-F561 AromaticContact CZ-CD2 3.84Å; F523-F561 HydrophobicContact CZ-CD2 3.84Å; F523-F561 HydrophobicContact CZ-CE1 4.38Å; F523-F561 AromaticContact CZ-CE2 2.85Å; F523-F561 HydrophobicContact CZ-CE2 2.85Å; F523-F561 AromaticContact CZ-CZ 3.17Å; F523-F561 HydrophobicContact CZ-CZ 3.17Å
524S48.9Very low49.4Very low52 Ų5265.1 Ų65.136%0.36432%0.324SS..Hα-helixtrans-61.1-36.2-178.2-62.40000112.2L520 F521 A528L520-S524 PolarHBondContact O-N 2.95Å; L520-S524 PolarHBondContact O-OG 3.45Å; F521-S524 PolarHBondContact O-N 2.94Å; S524-A528 PolarHBondContact O-N 3.25Å
525C52.2Low51.4Low9 Ų964.3 Ų64.36%0.06131%0.308CS..Hα-helixtrans-82.6-26.3-177.6-530000113.4S457 D458 L461 F521 F523 R527 A528 L529S457-C525 WeakPolarHBondContact OG-CB 3.47Å; S457-C525 PolarHBondContact OG-SG 3.22Å; D458-C525 PolarHBondContact OD1-SG 3.23Å; L461-C525 HydrophobicContact CD1-CB 3.94Å; F521-C525 PolarHBondContact O-N 3.3Å; F523-C525 VanDerWaalsContact C-N 3.26Å; F523-C525 PolarHBondContact O-N 2.9Å; C525-R527 VanDerWaalsContact C-N 3.28Å; C525-R527 PolarHBondContact O-N 3.2Å; C525-A528 PolarHBondContact O-N 2.7Å; C525-L529 PolarHBondContact O-N 3.33Å; C525-L529 VanDerWaalsContact O-N 3.14Å
526R60.4Low53.4Low111 Ų11158.5 Ų58.542%0.41928%0.277SS..Hα-helixtrans-58.9-42.6168.2-82-178.3-177.8-134.7-0111.2F492 L522 F523 W530F492-R526 PolarHBondContact O-NH2 3.17Å; L522-R526 WeakPolarHBondContact O-CG 3.32Å; L522-R526 PolarHBondContact O-N 3Å; F523-R526 PolarHBondContact O-N 3.39Å; R526-W530 PolarHBondContact O-N 3.38Å
527R65.6Low55.7Low19 Ų1952.4 Ų52.47%0.07225%0.25CS..Hα-helixtrans-64.6-48.1176.3-176.1-163.8165.5171.113.2111.2F523 C525 L529 W530 D531 D571 Y594 F595F523-R527 PolarHBondContact O-N 3.32Å; C525-R527 VanDerWaalsContact C-N 3.28Å; C525-R527 PolarHBondContact O-N 3.2Å; R527-L529 PolarHBondContact O-N 3.45Å; R527-W530 WeakPolarHBondContact O-CB 3.37Å; R527-W530 PolarHBondContact O-N 3.31Å; R527-D531 IonicContact CZ-OD2 2.67Å; R527-D531 IonicContact NE-OD1 3.32Å; R527-D531 IonicContact NE-OD2 2.72Å; R527-D531 PolarHBondContact NE-OD2 3.36Å; R527-D531 VanDerWaalsContact NE-OD2 3.09Å; R527-D531 VanDerWaalsContact O-CG 3.22Å; R527-D531 PolarHBondContact O-N 3Å; R527-D531 VanDerWaalsContact O-OD1 3.13Å; R527-D571 IonicContact NH2-OD2 2.61Å; R527-Y594 VanDerWaalsContact NH1-C 3.29Å; R527-Y594 PolarHBondContact NH1-O 3.46Å; R527-F595 VanDerWaalsContact NH2-CD2 3.35Å
528A66Low58Low8 Ų848.7 Ų48.77%0.06624%0.241CC..Hα-helixtrans-55.6-37.6-17900000113L461 S524 C525 D531 Q532 I598L461-A528 HydrophobicContact CD1-CB 3.74Å; L461-A528 HydrophobicContact CD2-CB 3.51Å; L461-A528 HydrophobicContact CG-CB 4.28Å; S524-A528 PolarHBondContact O-N 3.25Å; C525-A528 PolarHBondContact O-N 2.7Å; A528-D531 PolarHBondContact O-N 3.36Å; A528-Q532 WeakPolarHBondContact O-CB 3.47Å; A528-Q532 WeakPolarHBondContact O-CG 3.48Å; A528-Q532 PolarHBondContact O-N 3.2Å; A528-I598 HydrophobicContact CB-CD1 3.5Å
529L67.7Low60Low25 Ų2547.9 Ų47.913%0.13124%0.238CC..Hα-helixtrans-66.4-42.6176-74.4168.4000111.9A460 L461 T464 L486 C525 R527 Q532 Y533A460-L529 HydrophobicContact CB-CD2 4.47Å; L461-L529 HydrophobicContact CD2-CB 4.4Å; L461-L529 HydrophobicContact CD2-CD2 3.63Å; L461-L529 HydrophobicContact CD2-CG 3.68Å; L461-L529 HydrophobicContact CG-CD2 4.03Å; L461-L529 HydrophobicContact CG-CG 4.1Å; T464-L529 HydrophobicContact CG2-CD2 3.95Å; L486-L529 HydrophobicContact CD1-CD1 4.38Å; C525-L529 PolarHBondContact O-N 3.33Å; C525-L529 VanDerWaalsContact O-N 3.14Å; R527-L529 PolarHBondContact O-N 3.45Å; L529-Q532 PolarHBondContact O-N 2.6Å; L529-Y533 WeakPolarHBondContact O-CB 3.17Å; L529-Y533 PolarHBondContact O-N 2.94Å
530W73.7Confident61.9Low38 Ų3847.9 Ų47.914%0.14423%0.228CC..Hα-helixtrans-64-41.6174.2-78.3118.7000112.3R526 R527 Q532 Y533 I534 V549 R552 R553 A556R526-W530 PolarHBondContact O-N 3.38Å; R527-W530 WeakPolarHBondContact O-CB 3.37Å; R527-W530 PolarHBondContact O-N 3.31Å; W530-Q532 VanDerWaalsContact C-N 3.35Å; W530-Y533 HydrophobicContact CE3-CD1 4.25Å; W530-Y533 HydrophobicContact CZ3-CD1 4.07Å; W530-Y533 PolarHBondContact O-N 3.37Å; W530-Y533 VanDerWaalsContact O-N 3.16Å; W530-I534 WeakPolarHBondContact O-CG1 2.98Å; W530-I534 PolarHBondContact O-N 3.26Å; W530-V549 HydrophobicContact CE3-CG1 3.99Å; W530-V549 HydrophobicContact CZ3-CG1 4.03Å; W530-R552 HydrophobicContact CH2-CB 3.7Å; W530-R552 HydrophobicContact CZ3-CB 4.11Å; W530-R553 HydrophobicContact CB-CB 4.32Å; W530-R553 HydrophobicContact CB-CG 3.76Å; W530-R553 HydrophobicContact CD2-CB 3.86Å; W530-R553 HydrophobicContact CD2-CG 4.16Å; W530-R553 HydrophobicContact CE3-CB 3.9Å; W530-R553 HydrophobicContact CG-CB 4.06Å; W530-R553 HydrophobicContact CG-CG 3.8Å; W530-A556 HydrophobicContact CZ2-CB 4.2Å
531D73Confident63.9Low31 Ų3144.9 Ų44.917%0.16622%0.218CC..Hα-helixtrans-63.2-43.9179-63.50000110R527 A528 Y533 I534 D535 R553R527-D531 IonicContact CZ-OD2 2.67Å; R527-D531 IonicContact NE-OD1 3.32Å; R527-D531 IonicContact NE-OD2 2.72Å; R527-D531 PolarHBondContact NE-OD2 3.36Å; R527-D531 VanDerWaalsContact NE-OD2 3.09Å; R527-D531 VanDerWaalsContact O-CG 3.22Å; R527-D531 PolarHBondContact O-N 3Å; R527-D531 VanDerWaalsContact O-OD1 3.13Å; A528-D531 PolarHBondContact O-N 3.36Å; D531-Y533 VanDerWaalsContact C-N 3.31Å; D531-Y533 PolarHBondContact O-N 2.95Å; D531-I534 PolarHBondContact O-N 3.21Å; D531-D535 WeakPolarHBondContact O-CB 3.42Å; D531-D535 PolarHBondContact O-N 3.3Å; D531-R553 IonicContact OD1-CZ 3.94Å; D531-R553 IonicContact OD1-NE 3.26Å; D531-R553 PolarHBondContact OD1-NE 3.14Å; D531-R553 IonicContact OD1-NH1 2.75Å; D531-R553 IonicContact OD1-NH2 3.66Å; D531-R553 PolarHBondContact OD1-NH2 2.97Å; D531-R553 IonicContact OD2-NH2 3.27Å
532Q70.7Confident66.1Low26 Ų2640.6 Ų40.612%0.12121%0.207CC..Hα-helixtrans-62.7-35.5173.2-76.7-176.916.300113.2T464 N465 L468 A528 L529 W530 D535 F536T464-Q532 PolarHBondContact OG1-OE1 3.15Å; N465-Q532 VanDerWaalsContact CG-NE2 3.31Å; N465-Q532 PolarHBondContact ND2-NE2 3.29Å; N465-Q532 PolarHBondContact OD1-NE2 3.43Å; N465-Q532 PolarHBondContact OD1-OE1 3.14Å; L468-Q532 HydrophobicContact CD1-CB 4.09Å; L468-Q532 HydrophobicContact CD1-CG 4.39Å; A528-Q532 WeakPolarHBondContact O-CB 3.47Å; A528-Q532 WeakPolarHBondContact O-CG 3.48Å; A528-Q532 PolarHBondContact O-N 3.2Å; L529-Q532 PolarHBondContact O-N 2.6Å; W530-Q532 VanDerWaalsContact C-N 3.35Å; Q532-D535 PolarHBondContact O-N 2.88Å; Q532-F536 WeakPolarHBondContact O-CB 3.27Å; Q532-F536 PolarHBondContact O-N 3.11Å
533Y72.5Confident68.3Low33 Ų3342.3 Ų42.313%0.12922%0.216CC..Hα-helixtrans-71.3-37.5177.7-167.2-173.4000111.8L483 L529 W530 D531 F536 E537 V549 R552L483-Y533 HydrophobicContact CD1-CD1 3.57Å; L483-Y533 HydrophobicContact CD1-CD2 4.24Å; L483-Y533 HydrophobicContact CD1-CE1 3.54Å; L483-Y533 HydrophobicContact CD1-CE2 4.25Å; L483-Y533 HydrophobicContact CD1-CG 3.95Å; L483-Y533 HydrophobicContact CD2-CD1 4.34Å; L529-Y533 WeakPolarHBondContact O-CB 3.17Å; L529-Y533 PolarHBondContact O-N 2.94Å; W530-Y533 HydrophobicContact CE3-CD1 4.25Å; W530-Y533 HydrophobicContact CZ3-CD1 4.07Å; W530-Y533 PolarHBondContact O-N 3.37Å; W530-Y533 VanDerWaalsContact O-N 3.16Å; D531-Y533 VanDerWaalsContact C-N 3.31Å; D531-Y533 PolarHBondContact O-N 2.95Å; Y533-F536 HydrophobicContact CD2-CD1 4.15Å; Y533-F536 HydrophobicContact CE2-CD1 4.19Å; Y533-F536 WeakPolarHBondContact O-CB 3.33Å; Y533-F536 PolarHBondContact O-N 3.03Å; Y533-E537 HydrophobicContact CD2-CG 3.99Å; Y533-E537 HydrophobicContact CE2-CG 3.69Å; Y533-E537 WeakPolarHBondContact CE2-OE1 3.35Å; Y533-E537 PolarHBondContact O-N 3.2Å; Y533-V549 HydrophobicContact CD1-CG1 3.8Å; Y533-V549 HydrophobicContact CD1-CG2 4.03Å; Y533-V549 HydrophobicContact CD2-CG2 4.27Å; Y533-V549 HydrophobicContact CE1-CG1 4.23Å; Y533-V549 HydrophobicContact CE1-CG2 3.64Å; Y533-V549 HydrophobicContact CE2-CG2 3.88Å; Y533-V549 HydrophobicContact CG-CG1 3.94Å; Y533-V549 HydrophobicContact CG-CG2 4.32Å; Y533-R552 PolarHBondContact OH-NH2 3.01Å
534I75.2Confident70Confident7 Ų744.7 Ų44.74%0.03623%0.233CC..Hα-helixtrans-66.3-43.4171.9-68.8174.4000110.6W530 D531 F536 E537 S538 V549W530-I534 WeakPolarHBondContact O-CG1 2.98Å; W530-I534 PolarHBondContact O-N 3.26Å; D531-I534 PolarHBondContact O-N 3.21Å; I534-F536 PolarHBondContact O-N 2.54Å; I534-E537 PolarHBondContact O-N 3.05Å; I534-S538 VanDerWaalsContact O-CB 3.29Å; I534-S538 WeakPolarHBondContact O-CB 3.29Å; I534-S538 PolarHBondContact O-N 3.49Å; I534-S538 PolarHBondContact O-OG 2.9Å; I534-V549 HydrophobicContact CG1-CG1 3.69Å
535D72.9Confident71.3Confident32 Ų3242.5 Ų42.517%0.17122%0.219CC..Hα-helixtrans-57.6-34.1173.5-85.27.2000111.4D531 Q532 S538 R539 R602D531-D535 WeakPolarHBondContact O-CB 3.42Å; D531-D535 PolarHBondContact O-N 3.3Å; Q532-D535 PolarHBondContact O-N 2.88Å; D535-S538 WeakPolarHBondContact CA-OG 3.29Å; D535-S538 PolarHBondContact O-OG 3.35Å; D535-R539 VanDerWaalsContact O-CD 3.29Å; D535-R539 WeakPolarHBondContact O-CD 3.46Å; D535-R539 WeakPolarHBondContact O-CG 3.33Å; D535-R539 PolarHBondContact O-N 3.48Å; D535-R602 IonicContact OD2-CZ 3.51Å; D535-R602 IonicContact OD2-NH1 3.52Å; D535-R602 IonicContact OD2-NH2 2.67Å; D535-R602 PolarHBondContact OD2-NH2 3.32Å
536F71.9Confident72.6Confident9 Ų943 Ų434%0.03922%0.221CC..Hα-helixtrans-71.8-53.2176.1174.8-103.8000113.2L468 L475 Q532 Y533 I534 S538 R539 I540L468-F536 HydrophobicContact CD2-CB 3.53Å; L468-F536 HydrophobicContact CD2-CD2 3.32Å; L468-F536 HydrophobicContact CD2-CE2 4.28Å; L468-F536 HydrophobicContact CD2-CG 3.72Å; L475-F536 HydrophobicContact CB-CE1 4.09Å; L475-F536 HydrophobicContact CB-CE2 3.75Å; L475-F536 HydrophobicContact CB-CZ 3.46Å; L475-F536 VanDerWaalsContact CB-CZ 3.46Å; L475-F536 HydrophobicContact CD1-CD2 3.94Å; L475-F536 HydrophobicContact CD1-CE2 3.73Å; L475-F536 HydrophobicContact CD1-CZ 4.28Å; L475-F536 HydrophobicContact CD2-CD1 3.9Å; L475-F536 HydrophobicContact CD2-CD2 4.19Å; L475-F536 HydrophobicContact CD2-CE1 3.86Å; L475-F536 HydrophobicContact CD2-CE2 4.1Å; L475-F536 HydrophobicContact CD2-CG 4.05Å; L475-F536 HydrophobicContact CD2-CZ 3.96Å; L475-F536 HydrophobicContact CG-CD2 4.46Å; L475-F536 HydrophobicContact CG-CE1 4.48Å; L475-F536 HydrophobicContact CG-CE2 4.05Å; L475-F536 HydrophobicContact CG-CZ 4.09Å; Q532-F536 WeakPolarHBondContact O-CB 3.27Å; Q532-F536 PolarHBondContact O-N 3.11Å; Y533-F536 HydrophobicContact CD2-CD1 4.15Å; Y533-F536 HydrophobicContact CE2-CD1 4.19Å; Y533-F536 WeakPolarHBondContact O-CB 3.33Å; Y533-F536 PolarHBondContact O-N 3.03Å; I534-F536 PolarHBondContact O-N 2.54Å; F536-S538 PolarHBondContact O-N 2.94Å; F536-R539 PolarHBondContact O-N 3.09Å; F536-R539 VanDerWaalsContact O-N 3.1Å; F536-I540 HydrophobicContact CD2-CD1 4.03Å; F536-I540 HydrophobicContact CE2-CD1 3.53Å; F536-I540 HydrophobicContact CE2-CG1 4.36Å; F536-I540 HydrophobicContact CZ-CD1 4.24Å; F536-I540 PolarHBondContact O-N 3.04Å
537E73.9Confident73.6Confident12 Ų1240 Ų406%0.05622%0.215CC..Hα-helixtrans-64.5-28.3179.9-72.4-68.8158.500111.6Y533 I534 G541 I546 V549Y533-E537 HydrophobicContact CD2-CG 3.99Å; Y533-E537 HydrophobicContact CE2-CG 3.69Å; Y533-E537 WeakPolarHBondContact CE2-OE1 3.35Å; Y533-E537 PolarHBondContact O-N 3.2Å; I534-E537 PolarHBondContact O-N 3.05Å; E537-G541 CarbonylContact O-C 3.22Å; E537-G541 WeakPolarHBondContact O-CA 3.15Å; E537-G541 PolarHBondContact O-N 3.26Å; E537-I546 HydrophobicContact CB-CG1 3.79Å; E537-V549 HydrophobicContact CG-CG2 3.92Å
538S75.2Confident74.4Confident55 Ų5544.9 Ų44.939%0.38524%0.236SC..Hα-helixtrans-72.7-27.9173.860.60000113.9I534 D535 F536I534-S538 VanDerWaalsContact O-CB 3.29Å; I534-S538 WeakPolarHBondContact O-CB 3.29Å; I534-S538 PolarHBondContact O-N 3.49Å; I534-S538 PolarHBondContact O-OG 2.9Å; D535-S538 WeakPolarHBondContact CA-OG 3.29Å; D535-S538 PolarHBondContact O-OG 3.35Å; F536-S538 PolarHBondContact O-N 2.94Å
539R70.7Confident74.9Confident170 Ų17044.5 Ų44.564%0.64223%0.234SC*.Hα-helixtrans-85.6-36.4179.2-72.3170.7-169.2-165.92113.7D535 F536D535-R539 VanDerWaalsContact O-CD 3.29Å; D535-R539 WeakPolarHBondContact O-CD 3.46Å; D535-R539 WeakPolarHBondContact O-CG 3.33Å; D535-R539 PolarHBondContact O-N 3.48Å; F536-R539 PolarHBondContact O-N 3.09Å; F536-R539 VanDerWaalsContact O-N 3.1Å
540I68.3Low75.3Confident64 Ų6444.6 Ų44.633%0.32824%0.236SC..Hα-helixtrans-122.1-31.4-170.4-52.4-174.8000112F536 Y770F536-I540 HydrophobicContact CD2-CD1 4.03Å; F536-I540 HydrophobicContact CE2-CD1 3.53Å; F536-I540 HydrophobicContact CE2-CG1 4.36Å; F536-I540 HydrophobicContact CZ-CD1 4.24Å; F536-I540 PolarHBondContact O-N 3.04Å; I540-Y770 HydrophobicContact CG2-CD2 4.19Å; I540-Y770 HydrophobicContact CG2-CG 4.2Å
541G69.5Low75.7Confident21 Ų2147.7 Ų47.722%0.21625%0.252CS..SBendtrans-80.9178.2-175.100000113.6E537E537-G541 CarbonylContact O-C 3.22Å; E537-G541 WeakPolarHBondContact O-CA 3.15Å; E537-G541 PolarHBondContact O-N 3.26Å
542G77Confident75.9Confident28 Ų2850.5 Ų50.529%0.28926%0.26SS..  trans-100168.1170.400000111.4T544 G545 I546G542-T544 PolarHBondContact O-N 3.12Å; G542-T544 VanDerWaalsContact O-N 3.09Å; G542-G545 PolarHBondContact O-N 3.1Å; G542-I546 PolarHBondContact O-N 2.94Å
543L82.7Confident76.2Confident103 Ų10349.3 Ų49.354%0.53926%0.255SS..Hα-helixtrans-49.7-40.1178.2177.656.6000113.2G545 I546 V547L543-G545 VanDerWaalsContact C-N 3.31Å; L543-G545 PolarHBondContact O-N 3.38Å; L543-I546 PolarHBondContact O-N 3.36Å; L543-V547 HydrophobicContact CD1-CG2 4.02Å; L543-V547 HydrophobicContact CG-CG2 4.41Å; L543-V547 WeakPolarHBondContact O-CG2 3.28Å; L543-V547 PolarHBondContact O-N 3.43Å
544T81.9Confident76.4Confident86 Ų8650.3 Ų50.353%0.52826%0.261SS..Hα-helixtrans-63.3-33.6178.957.30000113.4G542 K548G542-T544 PolarHBondContact O-N 3.12Å; G542-T544 VanDerWaalsContact O-N 3.09Å; T544-K548 VanDerWaalsContact O-CG 3.28Å; T544-K548 WeakPolarHBondContact O-CG 3.45Å; T544-K548 PolarHBondContact O-N 3.05Å
545G76.3Confident76.4Confident6 Ų656.1 Ų56.16%0.06229%0.288CS..Hα-helixtrans-70.3-45.2175.800000111.6G542 L543 V547 K548 V549G542-G545 PolarHBondContact O-N 3.1Å; L543-G545 VanDerWaalsContact C-N 3.31Å; L543-G545 PolarHBondContact O-N 3.38Å; G545-V547 PolarHBondContact O-N 3.12Å; G545-K548 PolarHBondContact O-N 3.4Å; G545-V549 WeakPolarHBondContact O-CG2 3.37Å; G545-V549 PolarHBondContact O-N 2.99Å
546I78.9Confident76.4Confident18 Ų1856.2 Ų56.29%0.09229%0.293CS..Hα-helixtrans-60-46.8178.3-57.6168.7000110.8E537 G542 L543 V549 S550 R572E537-I546 HydrophobicContact CB-CG1 3.79Å; G542-I546 PolarHBondContact O-N 2.94Å; L543-I546 PolarHBondContact O-N 3.36Å; I546-V549 PolarHBondContact O-N 2.77Å; I546-S550 VanDerWaalsContact O-CB 3.29Å; I546-S550 WeakPolarHBondContact O-CB 3.22Å; I546-S550 PolarHBondContact O-N 2.98Å; I546-R572 HydrophobicContact CG2-CG 4.13Å
547V82.2Confident76.4Confident49 Ų4956.2 Ų56.230%0.29729%0.293SS..Hα-helixtrans-61-48.8179.3173.40000110.8L543 G545 V549 S550 E551L543-V547 HydrophobicContact CD1-CG2 4.02Å; L543-V547 HydrophobicContact CG-CG2 4.41Å; L543-V547 WeakPolarHBondContact O-CG2 3.28Å; L543-V547 PolarHBondContact O-N 3.43Å; G545-V547 PolarHBondContact O-N 3.12Å; V547-V549 VanDerWaalsContact C-N 3.3Å; V547-V549 PolarHBondContact O-N 3.14Å; V547-S550 WeakPolarHBondContact O-CB 3.45Å; V547-S550 PolarHBondContact O-N 2.82Å; V547-S550 VanDerWaalsContact O-N 3.08Å; V547-E551 HydrophobicContact CG1-CG 4.37Å; V547-E551 WeakPolarHBondContact CG1-OE1 3.49Å; V547-E551 WeakPolarHBondContact O-CG 3.49Å; V547-E551 PolarHBondContact O-N 3.42Å
548K81.4Confident76.2Confident121 Ų12157.5 Ų57.553%0.52630%0.304SS..Hα-helixtrans-61.3-34.7177.7-72.6179.7-178.4-167.80113.7T544 G545 R552T544-K548 VanDerWaalsContact O-CG 3.28Å; T544-K548 WeakPolarHBondContact O-CG 3.45Å; T544-K548 PolarHBondContact O-N 3.05Å; G545-K548 PolarHBondContact O-N 3.4Å; K548-R552 WeakPolarHBondContact O-CG 3.43Å; K548-R552 PolarHBondContact O-N 3.2Å; K548-R552 PolarHBondContact O-NE 3.46Å; K548-R552 VanDerWaalsContact O-NE 3.14Å
549V76.7Confident75.7Confident1 Ų165.1 Ų65.11%0.00632%0.324CS..Hα-helixtrans-72.9-40.9174.3172.90000110.5W530 Y533 I534 E537 G545 I546 V547 R552 R553W530-V549 HydrophobicContact CE3-CG1 3.99Å; W530-V549 HydrophobicContact CZ3-CG1 4.03Å; Y533-V549 HydrophobicContact CD1-CG1 3.8Å; Y533-V549 HydrophobicContact CD1-CG2 4.03Å; Y533-V549 HydrophobicContact CD2-CG2 4.27Å; Y533-V549 HydrophobicContact CE1-CG1 4.23Å; Y533-V549 HydrophobicContact CE1-CG2 3.64Å; Y533-V549 HydrophobicContact CE2-CG2 3.88Å; Y533-V549 HydrophobicContact CG-CG1 3.94Å; Y533-V549 HydrophobicContact CG-CG2 4.32Å; I534-V549 HydrophobicContact CG1-CG1 3.69Å; E537-V549 HydrophobicContact CG-CG2 3.92Å; G545-V549 WeakPolarHBondContact O-CG2 3.37Å; G545-V549 PolarHBondContact O-N 2.99Å; I546-V549 PolarHBondContact O-N 2.77Å; V547-V549 VanDerWaalsContact C-N 3.3Å; V547-V549 PolarHBondContact O-N 3.14Å; V549-R552 PolarHBondContact O-N 2.95Å; V549-R553 WeakPolarHBondContact O-CB 3.46Å; V549-R553 PolarHBondContact O-N 2.56Å
550S77.6Confident75.2Confident26 Ų2662.7 Ų62.718%0.18232%0.32CS..Hα-helixtrans-62.9-42.4178.2-169.40000112.3I546 V547 R553 Q554I546-S550 VanDerWaalsContact O-CB 3.29Å; I546-S550 WeakPolarHBondContact O-CB 3.22Å; I546-S550 PolarHBondContact O-N 2.98Å; V547-S550 WeakPolarHBondContact O-CB 3.45Å; V547-S550 PolarHBondContact O-N 2.82Å; V547-S550 VanDerWaalsContact O-N 3.08Å; S550-R553 PolarHBondContact O-N 2.91Å; S550-Q554 WeakPolarHBondContact O-CB 3.15Å; S550-Q554 PolarHBondContact O-N 3.41Å
551E81Confident74.8Confident103 Ų10363.6 Ų63.648%0.48132%0.322SS..Hα-helixtrans-61.7-50.3175.6-73.3168.517200111V547 R553 Q554 E555V547-E551 HydrophobicContact CG1-CG 4.37Å; V547-E551 WeakPolarHBondContact CG1-OE1 3.49Å; V547-E551 WeakPolarHBondContact O-CG 3.49Å; V547-E551 PolarHBondContact O-N 3.42Å; E551-R553 VanDerWaalsContact C-N 3.3Å; E551-R553 PolarHBondContact O-N 3.2Å; E551-Q554 WeakPolarHBondContact O-CB 3.44Å; E551-Q554 PolarHBondContact O-N 3.21Å; E551-Q554 VanDerWaalsContact O-N 3.1Å; E551-E555 WeakPolarHBondContact O-CG 3.24Å; E551-E555 PolarHBondContact O-N 2.95Å
552R78.6Confident74.6Confident90 Ų9064.6 Ų64.634%0.3433%0.332SS..Hα-helixtrans-61.4-37.7176.7-70.8-176.2-67.1166.50.4112.8W530 Y533 K548 V549 A556W530-R552 HydrophobicContact CH2-CB 3.7Å; W530-R552 HydrophobicContact CZ3-CB 4.11Å; Y533-R552 PolarHBondContact OH-NH2 3.01Å; K548-R552 WeakPolarHBondContact O-CG 3.43Å; K548-R552 PolarHBondContact O-N 3.2Å; K548-R552 PolarHBondContact O-NE 3.46Å; K548-R552 VanDerWaalsContact O-NE 3.14Å; V549-R552 PolarHBondContact O-N 2.95Å; R552-A556 WeakPolarHBondContact O-CB 3.41Å; R552-A556 PolarHBondContact O-N 3.01Å
553R75.9Confident74.2Confident1 Ų170.6 Ų70.60%0.00435%0.353CS..Hα-helixtrans-64.1-45.2173.5177.5-175.3-178.6-144.8-2.7110.7W530 D531 V549 S550 E551 A556 L557 D571 Y594W530-R553 HydrophobicContact CB-CB 4.32Å; W530-R553 HydrophobicContact CB-CG 3.76Å; W530-R553 HydrophobicContact CD2-CB 3.86Å; W530-R553 HydrophobicContact CD2-CG 4.16Å; W530-R553 HydrophobicContact CE3-CB 3.9Å; W530-R553 HydrophobicContact CG-CB 4.06Å; W530-R553 HydrophobicContact CG-CG 3.8Å; D531-R553 IonicContact OD1-CZ 3.94Å; D531-R553 IonicContact OD1-NE 3.26Å; D531-R553 PolarHBondContact OD1-NE 3.14Å; D531-R553 IonicContact OD1-NH1 2.75Å; D531-R553 IonicContact OD1-NH2 3.66Å; D531-R553 PolarHBondContact OD1-NH2 2.97Å; D531-R553 IonicContact OD2-NH2 3.27Å; V549-R553 WeakPolarHBondContact O-CB 3.46Å; V549-R553 PolarHBondContact O-N 2.56Å; S550-R553 PolarHBondContact O-N 2.91Å; E551-R553 VanDerWaalsContact C-N 3.3Å; E551-R553 PolarHBondContact O-N 3.2Å; R553-A556 PolarHBondContact O-N 3.45Å; R553-L557 HydrophobicContact CG-CD1 3.79Å; R553-L557 HydrophobicContact CG-CG 4.43Å; R553-L557 WeakPolarHBondContact O-CB 3.42Å; R553-L557 VanDerWaalsContact O-CG 3.27Å; R553-L557 WeakPolarHBondContact O-CG 3.47Å; R553-L557 PolarHBondContact O-N 2.88Å; R553-D571 IonicContact CZ-OD2 3.05Å; R553-D571 IonicContact NH1-OD2 3.9Å; R553-D571 PolarHBondContact NH1-OD2 3.01Å; R553-D571 VanDerWaalsContact NH1-OD2 3.16Å; R553-D571 IonicContact NH2-OD2 3.96Å; R553-D571 PolarHBondContact NH2-OD2 3.11Å; R553-Y594 PolarHBondContact NH2-OH 2.85Å
554Q76.1Confident73.6Confident55 Ų5570 Ų7026%0.25735%0.348SS..Hα-helixtrans-61.8-45.6177.5-177174.6-12.400110.8S550 E551 A556 L557 S558 L568S550-Q554 WeakPolarHBondContact O-CB 3.15Å; S550-Q554 PolarHBondContact O-N 3.41Å; E551-Q554 WeakPolarHBondContact O-CB 3.44Å; E551-Q554 PolarHBondContact O-N 3.21Å; E551-Q554 VanDerWaalsContact O-N 3.1Å; Q554-A556 VanDerWaalsContact C-N 3.31Å; Q554-A556 PolarHBondContact O-N 2.98Å; Q554-L557 PolarHBondContact O-N 3.49Å; Q554-S558 WeakPolarHBondContact O-CA 3.4Å; Q554-S558 WeakPolarHBondContact O-CB 3.42Å; Q554-S558 PolarHBondContact O-N 2.73Å; Q554-S558 PolarHBondContact O-OG 3.3Å; Q554-L568 HydrophobicContact CB-CD1 4.07Å; Q554-L568 HydrophobicContact CG-CD1 4.1Å
555E76.8Confident73.2Confident128 Ų12869 Ų6960%0.59834%0.343SS*.Hα-helixtrans-61.1-37.7174.6-71.2175.1-178.200113.1E551 L557 S558E551-E555 WeakPolarHBondContact O-CG 3.24Å; E551-E555 PolarHBondContact O-N 2.95Å; E555-L557 VanDerWaalsContact C-N 3.34Å; E555-S558 PolarHBondContact O-OG 2.9Å
556A72.4Confident73.3Confident35 Ų3572.6 Ų72.629%0.28936%0.364SS..Hα-helixtrans-69-33177.700000112.4W530 R552 R553 Q554W530-A556 HydrophobicContact CZ2-CB 4.2Å; R552-A556 WeakPolarHBondContact O-CB 3.41Å; R552-A556 PolarHBondContact O-N 3.01Å; R553-A556 PolarHBondContact O-N 3.45Å; Q554-A556 VanDerWaalsContact C-N 3.31Å; Q554-A556 PolarHBondContact O-N 2.98Å
557L70.6Confident73.2Confident8 Ų871.9 Ų71.94%0.04236%0.361CS..Hα-helixtrans-100.6-20.3-174.5-63.6-179.9000114.4F523 R553 Q554 E555 R559 Q560 F561 Y594F523-L557 HydrophobicContact CE2-CD2 4.01Å; F523-L557 HydrophobicContact CZ-CD2 4.47Å; R553-L557 HydrophobicContact CG-CD1 3.79Å; R553-L557 HydrophobicContact CG-CG 4.43Å; R553-L557 WeakPolarHBondContact O-CB 3.42Å; R553-L557 VanDerWaalsContact O-CG 3.27Å; R553-L557 WeakPolarHBondContact O-CG 3.47Å; R553-L557 PolarHBondContact O-N 2.88Å; Q554-L557 PolarHBondContact O-N 3.49Å; E555-L557 VanDerWaalsContact C-N 3.34Å; L557-R559 PolarHBondContact O-N 3.03Å; L557-Q560 PolarHBondContact O-N 2.82Å; L557-F561 PolarHBondContact O-N 3.38Å; L557-Y594 HydrophobicContact CD1-CE2 4.27Å; L557-Y594 WeakPolarHBondContact CD1-OH 3.5Å
558S70.1Confident72.8Confident40 Ų4070.2 Ų70.228%0.2835%0.35SS..Hα-helixtrans-59.6-33.1-179.2600000111.8Q554 E555 Q560 G562Q554-S558 WeakPolarHBondContact O-CA 3.4Å; Q554-S558 WeakPolarHBondContact O-CB 3.42Å; Q554-S558 PolarHBondContact O-N 2.73Å; Q554-S558 PolarHBondContact O-OG 3.3Å; E555-S558 PolarHBondContact O-OG 2.9Å; S558-Q560 PolarHBondContact O-N 3.12Å; S558-G562 PolarHBondContact O-N 3.21Å
559R66Low72.8Confident214 Ų21468 Ų6881%0.80834%0.344SS*.Hα-helixtrans-58.7-18174.3-66.3-168.5179.8108.1-3113.9L557L557-R559 PolarHBondContact O-N 3.03Å
560Q58.6Low73Confident119 Ų11968.4 Ų68.456%0.55635%0.346SS*.Hα-helixtrans-125.1-35.5-169.2-70.2177.1-15.900114.3L557 S558L557-Q560 PolarHBondContact O-N 2.82Å; S558-Q560 PolarHBondContact O-N 3.12Å
561F61.2Low72.8Confident84 Ų8467.7 Ų67.737%0.36834%0.341SS..Hα-helixtrans-109.54.1-178.3-68.4-91.2000113.3F523 L557 Y594F523-F561 HydrophobicContact CD1-CZ 4.32Å; F523-F561 HydrophobicContact CD2-CE2 4.3Å; F523-F561 HydrophobicContact CE1-CE1 4.47Å; F523-F561 AromaticContact CE1-CE2 3.56Å; F523-F561 HydrophobicContact CE1-CE2 3.56Å; F523-F561 AromaticContact CE1-CZ 3.33Å; F523-F561 HydrophobicContact CE1-CZ 3.33Å; F523-F561 HydrophobicContact CE2-CD2 4.17Å; F523-F561 AromaticContact CE2-CE2 3.28Å; F523-F561 HydrophobicContact CE2-CE2 3.28Å; F523-F561 AromaticContact CE2-CZ 3.98Å; F523-F561 HydrophobicContact CE2-CZ 3.98Å; F523-F561 AromaticContact CZ-CD2 3.84Å; F523-F561 HydrophobicContact CZ-CD2 3.84Å; F523-F561 HydrophobicContact CZ-CE1 4.38Å; F523-F561 AromaticContact CZ-CE2 2.85Å; F523-F561 HydrophobicContact CZ-CE2 2.85Å; F523-F561 AromaticContact CZ-CZ 3.17Å; F523-F561 HydrophobicContact CZ-CZ 3.17Å; L557-F561 PolarHBondContact O-N 3.38Å; F561-Y594 HydrophobicContact CD1-CD2 4.25Å; F561-Y594 HydrophobicContact CG-CD2 4.32Å; F561-Y594 HydrophobicContact CG-CE2 4.45Å
562G65.6Low72.6Confident42 Ų4266 Ų6643%0.43333%0.33SS..  trans66.3-175.1-165.900000111.6S558 M564S558-G562 PolarHBondContact O-N 3.21Å; G562-M564 PolarHBondContact O-N 3.42Å
563E67.5Low72.7Confident153 Ų15368 Ų6872%0.71534%0.338SS*.  trans-84.9103.6178.9-65-178.3173.500109.9P565E563-P565 WeakPolarHBondContact O-CD 3.23Å
564M69.4Low72.7Confident90 Ų9070.8 Ų70.844%0.44335%0.349SS..  trans-122.561.9175-63-68.1-99.300110.6G562 T566 A567 L568G562-M564 PolarHBondContact O-N 3.42Å; M564-T566 VanDerWaalsContact C-N 3.31Å; M564-T566 PolarHBondContact O-N 3.32Å; M564-A567 HydrophobicContact CB-CB 4.17Å; M564-A567 PolarHBondContact O-N 3.38Å; M564-L568 PolarHBondContact O-N 3.19Å
565P73.5Confident72.6Confident65 Ų6574.7 Ų74.742%0.42237%0.365SS..Hα-helixtrans-60.6-38.7-171.424.4-34000112.5E563 A567 L568 L569E563-P565 WeakPolarHBondContact O-CD 3.23Å; P565-A567 PolarHBondContact O-N 3.22Å; P565-L568 PolarHBondContact O-N 3.02Å; P565-L569 PolarHBondContact O-N 3.01Å
566T79.1Confident72.4Confident82 Ų8274.9 Ų74.950%0.50337%0.368SS..Hα-helixtrans-66.3-36.8-179.6-420000112.4M564 L569 L589M564-T566 VanDerWaalsContact C-N 3.31Å; M564-T566 PolarHBondContact O-N 3.32Å; T566-L569 WeakPolarHBondContact O-CB 3.39Å; T566-L569 PolarHBondContact O-N 2.9Å; T566-L589 HydrophobicContact CG2-CD1 4.34Å; T566-L589 HydrophobicContact CG2-CD2 3.68Å
567A76.1Confident72.6Confident4 Ų479.5 Ų79.53%0.03339%0.387CS..Hα-helixtrans-68.8-39176.100000111.4M564 P565 L569 V570 Y591M564-A567 HydrophobicContact CB-CB 4.17Å; M564-A567 PolarHBondContact O-N 3.38Å; P565-A567 PolarHBondContact O-N 3.22Å; A567-L569 VanDerWaalsContact C-N 3.29Å; A567-L569 PolarHBondContact O-N 3.49Å; A567-V570 WeakPolarHBondContact O-CB 3.34Å; A567-V570 PolarHBondContact O-N 2.85Å; A567-Y591 HydrophobicContact CB-CD2 4.4Å; A567-Y591 VanDerWaalsContact O-CD2 3.27Å; A567-Y591 WeakPolarHBondContact O-CD2 3.47Å; A567-Y591 WeakPolarHBondContact O-CE2 3.23Å
568L75.2Confident73Confident13 Ų1384.4 Ų84.47%0.06841%0.413CS..Hα-helixtrans-67.3-30.2175.5-65175.5000112.6Q554 M564 P565 V570 D571 Y594Q554-L568 HydrophobicContact CB-CD1 4.07Å; Q554-L568 HydrophobicContact CG-CD1 4.1Å; M564-L568 PolarHBondContact O-N 3.19Å; P565-L568 PolarHBondContact O-N 3.02Å; L568-V570 PolarHBondContact O-N 3.28Å; L568-D571 PolarHBondContact O-N 3.41Å; L568-Y594 HydrophobicContact CD2-CD1 4.42Å; L568-Y594 HydrophobicContact CD2-CE1 3.51Å; L568-Y594 HydrophobicContact CD2-CE2 3.96Å; L568-Y594 WeakPolarHBondContact CD2-OH 3.48Å
569L81.4Confident73.4Confident76 Ų7685.3 Ų85.340%0.39841%0.414SS..Hα-helixtrans-64.5-28.7176.9-169.666.1000112.3P565 T566 A567 D571 R572 Y573P565-L569 PolarHBondContact O-N 3.01Å; T566-L569 WeakPolarHBondContact O-CB 3.39Å; T566-L569 PolarHBondContact O-N 2.9Å; A567-L569 VanDerWaalsContact C-N 3.29Å; A567-L569 PolarHBondContact O-N 3.49Å; L569-D571 VanDerWaalsContact C-N 3.29Å; L569-D571 PolarHBondContact O-N 3.45Å; L569-R572 WeakPolarHBondContact O-CB 3.21Å; L569-R572 PolarHBondContact O-N 3.31Å; L569-Y573 HydrophobicContact CD1-CD2 4.48Å; L569-Y573 HydrophobicContact CD1-CE2 3.73Å; L569-Y573 HydrophobicContact CD2-CE2 4.35Å; L569-Y573 HydrophobicContact CG-CD2 4.23Å; L569-Y573 HydrophobicContact CG-CE2 3.78Å; L569-Y573 WeakPolarHBondContact O-CD2 3.41Å
570V80.6Confident74.2Confident9 Ų978.7 Ų78.76%0.05540%0.398CS..Hα-helixtrans-58.7-41.8176.3178.60000111A567 L568 R572 Y573 R574 M579 P580 L586 Y591A567-V570 WeakPolarHBondContact O-CB 3.34Å; A567-V570 PolarHBondContact O-N 2.85Å; L568-V570 PolarHBondContact O-N 3.28Å; V570-R572 PolarHBondContact O-N 3.12Å; V570-Y573 PolarHBondContact O-N 3.02Å; V570-R574 WeakPolarHBondContact O-CB 3.31Å; V570-R574 PolarHBondContact O-N 3.26Å; V570-M579 HydrophobicContact CG1-CE 3.23Å; V570-P580 HydrophobicContact CB-CG 4.43Å; V570-P580 HydrophobicContact CG1-CG 3.87Å; V570-L586 HydrophobicContact CB-CD2 4.34Å; V570-L586 HydrophobicContact CG1-CD2 3.66Å; V570-L586 HydrophobicContact CG2-CD2 3.68Å; V570-Y591 HydrophobicContact CB-CD2 3.76Å; V570-Y591 HydrophobicContact CB-CE2 3.54Å; V570-Y591 HydrophobicContact CG1-CD1 4.44Å; V570-Y591 HydrophobicContact CG1-CD2 3.94Å; V570-Y591 HydrophobicContact CG1-CE1 4.12Å; V570-Y591 HydrophobicContact CG1-CE2 3.58Å; V570-Y591 HydrophobicContact CG1-CG 4.35Å; V570-Y591 HydrophobicContact CG2-CD2 4.04Å; V570-Y591 HydrophobicContact CG2-CE2 4.34Å
571D72.5Confident75.3Confident11 Ų1174.3 Ų74.36%0.05938%0.383CS..Hα-helixtrans-63.2-29.3-179.2-71.2-28.7000112.7R527 R553 L568 L569 Y573 Y591R527-D571 IonicContact NH2-OD2 2.61Å; R553-D571 IonicContact CZ-OD2 3.05Å; R553-D571 IonicContact NH1-OD2 3.9Å; R553-D571 PolarHBondContact NH1-OD2 3.01Å; R553-D571 VanDerWaalsContact NH1-OD2 3.16Å; R553-D571 IonicContact NH2-OD2 3.96Å; R553-D571 PolarHBondContact NH2-OD2 3.11Å; L568-D571 PolarHBondContact O-N 3.41Å; L569-D571 VanDerWaalsContact C-N 3.29Å; L569-D571 PolarHBondContact O-N 3.45Å; D571-Y573 VanDerWaalsContact C-N 3.33Å; D571-Y573 PolarHBondContact O-N 2.91Å; D571-Y591 WeakPolarHBondContact OD1-CE2 3.47Å; D571-Y591 PolarHBondContact OD1-OH 3.09Å
572R78Confident76.4Confident67 Ų6774 Ų7425%0.25339%0.389SS..Hα-helixtrans-68.8-30.8179.4176.9176.6165.8-164.2-16.9113I546 L569 V570I546-R572 HydrophobicContact CG2-CG 4.13Å; L569-R572 WeakPolarHBondContact O-CB 3.21Å; L569-R572 PolarHBondContact O-N 3.31Å; V570-R572 PolarHBondContact O-N 3.12Å
573Y79.6Confident77.1Confident132 Ų13278.1 Ų78.152%0.51840%0.397SS..Hα-helixtrans-108.1-0.7-177.8-59-69.3000113.1L569 V570 D571L569-Y573 HydrophobicContact CD1-CD2 4.48Å; L569-Y573 HydrophobicContact CD1-CE2 3.73Å; L569-Y573 HydrophobicContact CD2-CE2 4.35Å; L569-Y573 HydrophobicContact CG-CD2 4.23Å; L569-Y573 HydrophobicContact CG-CE2 3.78Å; L569-Y573 WeakPolarHBondContact O-CD2 3.41Å; V570-Y573 PolarHBondContact O-N 3.02Å; D571-Y573 VanDerWaalsContact C-N 3.33Å; D571-Y573 PolarHBondContact O-N 2.91Å
574R77.2Confident77.9Confident60 Ų6075.7 Ų75.723%0.22639%0.389CS..  trans-68.7135.4174.4-171.517888.296.94.5109.6V570 M576 L578 M579V570-R574 WeakPolarHBondContact O-CB 3.31Å; V570-R574 PolarHBondContact O-N 3.26Å; R574-M576 PolarHBondContact NH1-O 3.29Å; R574-L578 WeakPolarHBondContact CA-O 3.31Å; R574-L578 WeakPolarHBondContact CG-O 3.25Å; R574-M579 HydrophobicContact CB-SD 4.47Å; R574-M579 WeakPolarHBondContact CD-SD 3.41Å; R574-M579 HydrophobicContact CG-CE 4.41Å; R574-M579 HydrophobicContact CG-SD 3.56Å; R574-M579 VanDerWaalsContact CG-SD 3.56Å
575F73.4Confident78.6Confident136 Ų13675.6 Ų75.660%0.59639%0.39SS*.BIsolated β-bridgetrans-130.8115.4173-178-98.5000109.6D577 L578F575-D577 PolarHBondContact O-N 3.49Å; F575-D577 VanDerWaalsContact O-N 3.09Å; F575-L578 HydrophobicContact CD1-CD1 4.4Å; F575-L578 PolarHBondContact N-O 3.31Å; F575-L578 WeakPolarHBondContact O-CA 3.47Å; F575-L578 VanDerWaalsContact O-CB 3.27Å; F575-L578 WeakPolarHBondContact O-CB 3.31Å; F575-L578 PolarHBondContact O-N 3.27Å
576M72.9Confident79Confident133 Ų13373 Ų7366%0.65537%0.372SS*.THydrogen-bonded Turntrans54.4-110.8-174-59.2-175.769.900112.1R574R574-M576 PolarHBondContact NH1-O 3.29Å
577D76Confident79.1Confident131 Ų13175.1 Ų75.170%0.70137%0.372SS*.THydrogen-bonded Turntrans-99.4-5.5175.160.4-34.1000113.1F575F575-D577 PolarHBondContact O-N 3.49Å; F575-D577 VanDerWaalsContact O-N 3.09Å
578L78.5Confident79.4Confident111 Ų11182.9 Ų82.958%0.58141%0.409SS*.BIsolated β-bridgetrans-79.1124.5177.3-58.1176.6000111.3R574 F575R574-L578 WeakPolarHBondContact CA-O 3.31Å; R574-L578 WeakPolarHBondContact CG-O 3.25Å; F575-L578 HydrophobicContact CD1-CD1 4.4Å; F575-L578 PolarHBondContact N-O 3.31Å; F575-L578 WeakPolarHBondContact O-CA 3.47Å; F575-L578 VanDerWaalsContact O-CB 3.27Å; F575-L578 WeakPolarHBondContact O-CB 3.31Å; F575-L578 PolarHBondContact O-N 3.27Å
579M80Confident79.5Confident60 Ų6085 Ų8530%0.29642%0.42SS..  trans-106.2143.3177.8-57.7-57.7-66.200110.7V570 R574 A581 L586 Y591V570-M579 HydrophobicContact CG1-CE 3.23Å; R574-M579 HydrophobicContact CB-SD 4.47Å; R574-M579 WeakPolarHBondContact CD-SD 3.41Å; R574-M579 HydrophobicContact CG-CE 4.41Å; R574-M579 HydrophobicContact CG-SD 3.56Å; R574-M579 VanDerWaalsContact CG-SD 3.56Å; M579-A581 PolarHBondContact O-N 3.02Å; M579-L586 HydrophobicContact CB-CD1 3.82Å; M579-L586 HydrophobicContact CE-CD1 3.67Å; M579-L586 HydrophobicContact CE-CD2 4.35Å; M579-L586 HydrophobicContact CG-CD1 3.94Å; M579-Y591 HydrophobicContact CE-CD1 3.89Å; M579-Y591 HydrophobicContact CE-CE1 3.13Å; M579-Y591 HydrophobicContact CE-CE2 4.49Å; M579-Y591 VanDerWaalsContact CE-CZ 3.48Å; M579-Y591 WeakPolarHBondContact CE-OH 3.27Å; M579-Y591 HydrophobicContact SD-CE1 4.48Å
580P81.9Confident79.2Confident74 Ų7482.3 Ų82.348%0.48141%0.411SS..SBendtrans-71.7-7.5179.930.3-37.3000114.2V570V570-P580 HydrophobicContact CB-CG 4.43Å; V570-P580 HydrophobicContact CG1-CG 3.87Å
581A82.2Confident78.8Confident28 Ų2882.2 Ų82.223%0.23141%0.409CS..SBendtrans-140153.1-179.800000110.4M579 D585 L586M579-A581 PolarHBondContact O-N 3.02Å; A581-D585 HydrophobicContact CB-CB 4.18Å; A581-L586 HydrophobicContact CB-CD2 4.01Å; A581-L586 HydrophobicContact CB-CG 4.12Å
582P83.8Confident78.3Confident78 Ų7884.5 Ų84.551%0.50643%0.425SS..  trans-63.4157173.928.1-34.3000111.4D584 D585 L586P582-D584 PolarHBondContact O-N 3.26Å; P582-D585 VanDerWaalsContact CD-OD2 3.31Å; P582-D585 WeakPolarHBondContact CD-OD2 3.36Å; P582-D585 HydrophobicContact CG-CB 4.07Å; P582-D585 WeakPolarHBondContact CG-OD2 3.46Å; P582-D585 PolarHBondContact O-N 3.28Å; P582-D585 VanDerWaalsContact O-N 3.15Å; P582-L586 WeakPolarHBondContact O-CG 3.34Å; P582-L586 PolarHBondContact O-N 3.33Å; P582-L586 VanDerWaalsContact O-N 3.14Å
583E80.7Confident77.3Confident127 Ų12787.2 Ų87.259%0.59345%0.449SS*.Hα-helixtrans-59-33.7-172.9-159.6-174.3159.900113.3L586 R587E583-L586 PolarHBondContact O-N 3.38Å; E583-R587 WeakPolarHBondContact O-CG 3.41Å; E583-R587 PolarHBondContact O-N 3.13Å; E583-R587 IonicContact OE1-CZ 3.19Å; E583-R587 IonicContact OE1-NE 3Å; E583-R587 IonicContact OE1-NH2 3.87Å; E583-R587 PolarHBondContact OE1-NH2 3.3Å; E583-R587 IonicContact OE2-NH2 3.77Å
584D83.1Confident76.2Confident103 Ų10382.2 Ų82.255%0.55143%0.429SS*.Hα-helixtrans-67.1-43178.2-64.9-35.9000112.3P582 L586 R587 M588P582-D584 PolarHBondContact O-N 3.26Å; D584-L586 VanDerWaalsContact C-N 3.3Å; D584-L586 PolarHBondContact O-N 2.99Å; D584-R587 PolarHBondContact O-N 3.44Å; D584-R587 IonicContact OD1-CZ 3.16Å; D584-R587 IonicContact OD1-NH1 2.71Å; D584-R587 PolarHBondContact OD1-NH1 3.44Å; D584-M588 WeakPolarHBondContact O-CG 3.43Å; D584-M588 PolarHBondContact O-N 2.92Å; D584-M588 VanDerWaalsContact O-N 3.11Å
585D85.1Confident75.3Confident88 Ų8881.2 Ų81.247%0.47143%0.426SS..Hα-helixtrans-63.6-39.6175.4-69-10000110.5A581 P582 M588 L589A581-D585 HydrophobicContact CB-CB 4.18Å; P582-D585 VanDerWaalsContact CD-OD2 3.31Å; P582-D585 WeakPolarHBondContact CD-OD2 3.36Å; P582-D585 HydrophobicContact CG-CB 4.07Å; P582-D585 WeakPolarHBondContact CG-OD2 3.46Å; P582-D585 PolarHBondContact O-N 3.28Å; P582-D585 VanDerWaalsContact O-N 3.15Å; D585-M588 PolarHBondContact O-N 3.36Å; D585-L589 VanDerWaalsContact O-CG 3.31Å; D585-L589 WeakPolarHBondContact O-CG 3.46Å; D585-L589 PolarHBondContact O-N 3.39Å
586L82.7Confident74.4Confident9 Ų982.9 Ų82.95%0.04743%0.433CS..Hα-helixtrans-64.7-40.5177.1-68.3175.6000112.4V570 M579 A581 P582 E583 D584 M588 L589 G590 Y591 P592V570-L586 HydrophobicContact CB-CD2 4.34Å; V570-L586 HydrophobicContact CG1-CD2 3.66Å; V570-L586 HydrophobicContact CG2-CD2 3.68Å; M579-L586 HydrophobicContact CB-CD1 3.82Å; M579-L586 HydrophobicContact CE-CD1 3.67Å; M579-L586 HydrophobicContact CE-CD2 4.35Å; M579-L586 HydrophobicContact CG-CD1 3.94Å; A581-L586 HydrophobicContact CB-CD2 4.01Å; A581-L586 HydrophobicContact CB-CG 4.12Å; P582-L586 WeakPolarHBondContact O-CG 3.34Å; P582-L586 PolarHBondContact O-N 3.33Å; P582-L586 VanDerWaalsContact O-N 3.14Å; E583-L586 PolarHBondContact O-N 3.38Å; D584-L586 VanDerWaalsContact C-N 3.3Å; D584-L586 PolarHBondContact O-N 2.99Å; L586-M588 VanDerWaalsContact C-N 3.31Å; L586-M588 PolarHBondContact O-N 3.3Å; L586-L589 PolarHBondContact O-N 2.99Å; L586-G590 PolarHBondContact O-N 2.71Å; L586-Y591 HydrophobicContact CB-CD1 4.36Å; L586-Y591 HydrophobicContact CD1-CD1 4.34Å; L586-Y591 HydrophobicContact CD2-CD1 4.18Å; L586-Y591 HydrophobicContact CD2-CG 4.11Å; L586-Y591 VanDerWaalsContact O-CB 3.25Å; L586-Y591 WeakPolarHBondContact O-CB 3.33Å; L586-Y591 PolarHBondContact O-N 2.69Å; L586-P592 WeakPolarHBondContact O-CD 3.47Å
587R81.3Confident73.2Confident128 Ų12880.7 Ų80.748%0.48343%0.429SS..Hα-helixtrans-59.5-43.6173.4-75172.1-166156.9-2.6111.3E583 D584 L589 G590 P592E583-R587 WeakPolarHBondContact O-CG 3.41Å; E583-R587 PolarHBondContact O-N 3.13Å; E583-R587 IonicContact OE1-CZ 3.19Å; E583-R587 IonicContact OE1-NE 3Å; E583-R587 IonicContact OE1-NH2 3.87Å; E583-R587 PolarHBondContact OE1-NH2 3.3Å; E583-R587 IonicContact OE2-NH2 3.77Å; D584-R587 PolarHBondContact O-N 3.44Å; D584-R587 IonicContact OD1-CZ 3.16Å; D584-R587 IonicContact OD1-NH1 2.71Å; D584-R587 PolarHBondContact OD1-NH1 3.44Å; R587-L589 VanDerWaalsContact C-N 3.31Å; R587-L589 PolarHBondContact O-N 3.45Å; R587-G590 PolarHBondContact O-N 3.28Å; R587-P592 HydrophobicContact CB-CG 4.17Å; R587-P592 HydrophobicContact CG-CG 3.59Å
588M81.5Confident71.9Confident167 Ų16778 Ų7882%0.82341%0.414SS*.Hα-helixtrans-64.8-34.1177.3-66.7-61.2-66.700112.7D584 D585 L586 G590D584-M588 WeakPolarHBondContact O-CG 3.43Å; D584-M588 PolarHBondContact O-N 2.92Å; D584-M588 VanDerWaalsContact O-N 3.11Å; D585-M588 PolarHBondContact O-N 3.36Å; L586-M588 VanDerWaalsContact C-N 3.31Å; L586-M588 PolarHBondContact O-N 3.3Å; M588-G590 PolarHBondContact O-N 3.2Å
589L78.3Confident70.1Confident58 Ų5875.8 Ų75.830%0.30441%0.411SS..THydrogen-bonded Turntrans-73.4-3.1173.2-68.4170.7000113.5T566 D585 L586 R587 Y591T566-L589 HydrophobicContact CG2-CD1 4.34Å; T566-L589 HydrophobicContact CG2-CD2 3.68Å; D585-L589 VanDerWaalsContact O-CG 3.31Å; D585-L589 WeakPolarHBondContact O-CG 3.46Å; D585-L589 PolarHBondContact O-N 3.39Å; L586-L589 PolarHBondContact O-N 2.99Å; R587-L589 VanDerWaalsContact C-N 3.31Å; R587-L589 PolarHBondContact O-N 3.45Å; L589-Y591 PolarHBondContact O-N 3.16Å
590G73.7Confident67.9Low19 Ų1980.3 Ų80.320%0.19643%0.43CS..THydrogen-bonded Turntrans71.411.5-173.900000113.5L586 R587 M588 V593 Y594L586-G590 PolarHBondContact O-N 2.71Å; R587-G590 PolarHBondContact O-N 3.28Å; M588-G590 PolarHBondContact O-N 3.2Å; G590-V593 PolarHBondContact O-N 2.57Å; G590-Y594 PolarHBondContact O-N 3.02Å
591Y73.3Confident65.8Low7 Ų779.1 Ų79.13%0.02742%0.423CS..Hα-helixtrans-60.1-41.2-177-172.9-99.1000113.9A567 V570 D571 M579 L586 L589 V593 Y594 F595A567-Y591 HydrophobicContact CB-CD2 4.4Å; A567-Y591 VanDerWaalsContact O-CD2 3.27Å; A567-Y591 WeakPolarHBondContact O-CD2 3.47Å; A567-Y591 WeakPolarHBondContact O-CE2 3.23Å; V570-Y591 HydrophobicContact CB-CD2 3.76Å; V570-Y591 HydrophobicContact CB-CE2 3.54Å; V570-Y591 HydrophobicContact CG1-CD1 4.44Å; V570-Y591 HydrophobicContact CG1-CD2 3.94Å; V570-Y591 HydrophobicContact CG1-CE1 4.12Å; V570-Y591 HydrophobicContact CG1-CE2 3.58Å; V570-Y591 HydrophobicContact CG1-CG 4.35Å; V570-Y591 HydrophobicContact CG2-CD2 4.04Å; V570-Y591 HydrophobicContact CG2-CE2 4.34Å; D571-Y591 WeakPolarHBondContact OD1-CE2 3.47Å; D571-Y591 PolarHBondContact OD1-OH 3.09Å; M579-Y591 HydrophobicContact CE-CD1 3.89Å; M579-Y591 HydrophobicContact CE-CE1 3.13Å; M579-Y591 HydrophobicContact CE-CE2 4.49Å; M579-Y591 VanDerWaalsContact CE-CZ 3.48Å; M579-Y591 WeakPolarHBondContact CE-OH 3.27Å; M579-Y591 HydrophobicContact SD-CE1 4.48Å; L586-Y591 HydrophobicContact CB-CD1 4.36Å; L586-Y591 HydrophobicContact CD1-CD1 4.34Å; L586-Y591 HydrophobicContact CD2-CD1 4.18Å; L586-Y591 HydrophobicContact CD2-CG 4.11Å; L586-Y591 VanDerWaalsContact O-CB 3.25Å; L586-Y591 WeakPolarHBondContact O-CB 3.33Å; L586-Y591 PolarHBondContact O-N 2.69Å; L589-Y591 PolarHBondContact O-N 3.16Å; Y591-V593 VanDerWaalsContact C-N 3.35Å; Y591-V593 PolarHBondContact O-N 2.9Å; Y591-Y594 CarbonylContact O-C 3.35Å; Y591-Y594 WeakPolarHBondContact O-CA 3.41Å; Y591-Y594 WeakPolarHBondContact O-CB 3.44Å; Y591-Y594 PolarHBondContact O-N 3.26Å; Y591-Y594 VanDerWaalsContact O-N 3.13Å; Y591-F595 HydrophobicContact CD1-CB 3.82Å; Y591-F595 HydrophobicContact CD1-CG 4.34Å; Y591-F595 HydrophobicContact CE1-CB 3.41Å; Y591-F595 VanDerWaalsContact CE1-CB 3.41Å; Y591-F595 HydrophobicContact CE1-CD1 4Å; Y591-F595 AromaticContact CE1-CD2 3.78Å; Y591-F595 HydrophobicContact CE1-CD2 3.78Å; Y591-F595 AromaticContact CE1-CG 3.47Å; Y591-F595 HydrophobicContact CE1-CG 3.47Å; Y591-F595 VanDerWaalsContact CE1-CG 3.47Å; Y591-F595 HydrophobicContact CE2-CB 4.32Å; Y591-F595 HydrophobicContact CE2-CD2 4.37Å; Y591-F595 HydrophobicContact CG-CB 4.43Å; Y591-F595 AromaticContact CZ-CD2 3.47Å; Y591-F595 VanDerWaalsContact CZ-CD2 3.47Å; Y591-F595 AromaticContact CZ-CG 3.68Å; Y591-F595 VanDerWaalsContact O-CB 3.27Å; Y591-F595 WeakPolarHBondContact O-CB 3.02Å; Y591-F595 PolarHBondContact O-N 2.61Å; Y591-F595 WeakPolarHBondContact OH-CD2 3.32Å; Y591-F595 WeakPolarHBondContact OH-CE2 3.44Å
592P62.1Low63.8Low59 Ų5982.4 Ų82.438%0.38343%0.429SS..Hα-helixtrans-73-22.4179.318.1-21.8000114.4L586 R587L586-P592 WeakPolarHBondContact O-CD 3.47Å; R587-P592 HydrophobicContact CB-CG 4.17Å; R587-P592 HydrophobicContact CG-CG 3.59Å
593V56.8Low61.6Low124 Ų12485.7 Ų85.775%0.75244%0.436SS*.Hα-helixtrans-67-35.7169.7-179.40000109.8G590 Y591G590-V593 PolarHBondContact O-N 2.57Å; Y591-V593 VanDerWaalsContact C-N 3.35Å; Y591-V593 PolarHBondContact O-N 2.9Å
594Y55.7Low59.5Low26 Ų2683.9 Ų83.910%0.10243%0.429CS..Hα-helixtrans-75-58.5174.7-170.3-106000109.7R527 R553 L557 F561 L568 G590 Y591 K596R527-Y594 VanDerWaalsContact NH1-C 3.29Å; R527-Y594 PolarHBondContact NH1-O 3.46Å; R553-Y594 PolarHBondContact NH2-OH 2.85Å; L557-Y594 HydrophobicContact CD1-CE2 4.27Å; L557-Y594 WeakPolarHBondContact CD1-OH 3.5Å; F561-Y594 HydrophobicContact CD1-CD2 4.25Å; F561-Y594 HydrophobicContact CG-CD2 4.32Å; F561-Y594 HydrophobicContact CG-CE2 4.45Å; L568-Y594 HydrophobicContact CD2-CD1 4.42Å; L568-Y594 HydrophobicContact CD2-CE1 3.51Å; L568-Y594 HydrophobicContact CD2-CE2 3.96Å; L568-Y594 WeakPolarHBondContact CD2-OH 3.48Å; G590-Y594 PolarHBondContact O-N 3.02Å; Y591-Y594 CarbonylContact O-C 3.35Å; Y591-Y594 WeakPolarHBondContact O-CA 3.41Å; Y591-Y594 WeakPolarHBondContact O-CB 3.44Å; Y591-Y594 PolarHBondContact O-N 3.26Å; Y591-Y594 VanDerWaalsContact O-N 3.13Å; Y594-K596 PolarHBondContact O-N 3.26Å
595F58.6Low57.8Low39 Ų3980 Ų8017%0.17141%0.408CS..  trans-83.393.6-172.7-163.8-92.5000113.6R527 Y591 P597R527-F595 VanDerWaalsContact NH2-CD2 3.35Å; Y591-F595 HydrophobicContact CD1-CB 3.82Å; Y591-F595 HydrophobicContact CD1-CG 4.34Å; Y591-F595 HydrophobicContact CE1-CB 3.41Å; Y591-F595 VanDerWaalsContact CE1-CB 3.41Å; Y591-F595 HydrophobicContact CE1-CD1 4Å; Y591-F595 AromaticContact CE1-CD2 3.78Å; Y591-F595 HydrophobicContact CE1-CD2 3.78Å; Y591-F595 AromaticContact CE1-CG 3.47Å; Y591-F595 HydrophobicContact CE1-CG 3.47Å; Y591-F595 VanDerWaalsContact CE1-CG 3.47Å; Y591-F595 HydrophobicContact CE2-CB 4.32Å; Y591-F595 HydrophobicContact CE2-CD2 4.37Å; Y591-F595 HydrophobicContact CG-CB 4.43Å; Y591-F595 AromaticContact CZ-CD2 3.47Å; Y591-F595 VanDerWaalsContact CZ-CD2 3.47Å; Y591-F595 AromaticContact CZ-CG 3.68Å; Y591-F595 VanDerWaalsContact O-CB 3.27Å; Y591-F595 WeakPolarHBondContact O-CB 3.02Å; Y591-F595 PolarHBondContact O-N 2.61Å; Y591-F595 WeakPolarHBondContact OH-CD2 3.32Å; Y591-F595 WeakPolarHBondContact OH-CE2 3.44Å; F595-P597 HydrophobicContact CD1-CB 4.48Å; F595-P597 HydrophobicContact CE1-CB 3.74Å; F595-P597 HydrophobicContact CE1-CG 4.25Å; F595-P597 HydrophobicContact CZ-CB 4.27Å
596K53.4Low56.1Low172 Ų17279.4 Ų79.475%0.74841%0.405SS*.  trans-88118.5148.6-77.5-174.4177.9-179.50107.6Y594 I598Y594-K596 PolarHBondContact O-N 3.26Å; K596-I598 PolarHBondContact O-N 2.86Å
597P48.3Very low54.7Low87 Ų8781.3 Ų81.357%0.56542%0.419SS*.  trans-57.6119.1175.419.1-27000108.7F595 A599F595-P597 HydrophobicContact CD1-CB 4.48Å; F595-P597 HydrophobicContact CE1-CB 3.74Å; F595-P597 HydrophobicContact CE1-CG 4.25Å; F595-P597 HydrophobicContact CZ-CB 4.27Å; P597-A599 HydrophobicContact CB-CB 4.42Å; P597-A599 PolarHBondContact O-N 3.01Å
598I49.3Very low53.4Low74 Ų7477 Ų7738%0.37940%0.403SS..  trans-76.164.9162-53.2171.9000106.1A528 K596 C601A528-I598 HydrophobicContact CB-CD1 3.5Å; K596-I598 PolarHBondContact O-N 2.86Å; I598-C601 HydrophobicContact CG2-CB 3.92Å
599A40.5Very low52.1Low64 Ų6469.8 Ų69.853%0.52937%0.367SS..Hα-helixtrans-67.8-30.1173.500000110P597 F603P597-A599 HydrophobicContact CB-CB 4.42Å; P597-A599 PolarHBondContact O-N 3.01Å; A599-F603 VanDerWaalsContact O-CB 3.23Å; A599-F603 WeakPolarHBondContact O-CB 3.48Å; A599-F603 PolarHBondContact O-N 3.2Å
600F33.6Very low51Low155 Ų15573.8 Ų73.868%0.6838%0.384SS*.Hα-helixtrans-64.4-48-171.4-160-106.3000113.4L604F600-L604 HydrophobicContact CD1-CD1 3.75Å; F600-L604 HydrophobicContact CE1-CD1 3.42Å; F600-L604 VanDerWaalsContact CE1-CD1 3.42Å; F600-L604 HydrophobicContact CG-CD1 4.44Å; F600-L604 HydrophobicContact CZ-CD1 3.87Å; F600-L604 WeakPolarHBondContact O-CG 3.21Å; F600-L604 PolarHBondContact O-N 3.4Å; F600-L604 VanDerWaalsContact O-N 3.11Å
601C37.3Very low50.2Low50 Ų5077.5 Ų77.534%0.33840%0.397SS..Hα-helixtrans-72.8-33.8-178.2-59.80000113.2I598 F605I598-C601 HydrophobicContact CG2-CB 3.92Å; C601-F605 WeakPolarHBondContact O-CB 3.07Å; C601-F605 PolarHBondContact O-N 3.29Å; C601-F605 VanDerWaalsContact O-N 3.14Å
602R41.6Very low49.3Very low97 Ų9777.5 Ų77.537%0.36640%0.397SS..Hα-helixtrans-73-38.2178.9-130.5176.8-167.4163.110.7111.5D535 N606D535-R602 IonicContact OD2-CZ 3.51Å; D535-R602 IonicContact OD2-NH1 3.52Å; D535-R602 IonicContact OD2-NH2 2.67Å; D535-R602 PolarHBondContact OD2-NH2 3.32Å; R602-N606 WeakPolarHBondContact O-CB 3.42Å; R602-N606 PolarHBondContact O-N 3.22Å
603F36.5Very low48.9Very low147 Ų14777.5 Ų77.565%0.64539%0.393SS*.Hα-helixtrans-66.3-47.9176.2-175.8-95.7000111.7A599 F605 N606 S607A599-F603 VanDerWaalsContact O-CB 3.23Å; A599-F603 WeakPolarHBondContact O-CB 3.48Å; A599-F603 PolarHBondContact O-N 3.2Å; F603-F605 PolarHBondContact O-N 3.21Å; F603-N606 PolarHBondContact O-N 3.38Å; F603-S607 VanDerWaalsContact O-CB 3.27Å; F603-S607 WeakPolarHBondContact O-CB 3.12Å; F603-S607 PolarHBondContact O-N 3.45Å
604L37.4Very low48.8Very low88 Ų8874.4 Ų74.446%0.46138%0.38SS..Hα-helixtrans-61.9-43.8178.4-73.4173.6000111.9F600 Y608F600-L604 HydrophobicContact CD1-CD1 3.75Å; F600-L604 HydrophobicContact CE1-CD1 3.42Å; F600-L604 VanDerWaalsContact CE1-CD1 3.42Å; F600-L604 HydrophobicContact CG-CD1 4.44Å; F600-L604 HydrophobicContact CZ-CD1 3.87Å; F600-L604 WeakPolarHBondContact O-CG 3.21Å; F600-L604 PolarHBondContact O-N 3.4Å; F600-L604 VanDerWaalsContact O-N 3.11Å; L604-Y608 WeakPolarHBondContact O-CB 3.41Å; L604-Y608 PolarHBondContact O-N 3.17Å
605F47Very low48.5Very low22 Ų2275 Ų7510%0.09638%0.384CS..Hα-helixtrans-66.1-42.2177.9-168.8-103.9000112.3L430 N465 H469 C601 F603 Y608 L609L430-F605 HydrophobicContact CD1-CE2 4.11Å; L430-F605 HydrophobicContact CD2-CE2 4.1Å; L430-F605 HydrophobicContact CD2-CZ 4.36Å; N465-F605 HydrophobicContact CB-CE1 4.29Å; N465-F605 HydrophobicContact CB-CZ 4.31Å; H469-F605 AromaticContact CD2-CE1 3.57Å; H469-F605 AromaticContact NE2-CE1 3.79Å; C601-F605 WeakPolarHBondContact O-CB 3.07Å; C601-F605 PolarHBondContact O-N 3.29Å; C601-F605 VanDerWaalsContact O-N 3.14Å; F603-F605 PolarHBondContact O-N 3.21Å; F605-Y608 PolarHBondContact O-N 3.17Å; F605-L609 HydrophobicContact CD1-CD1 3.48Å; F605-L609 VanDerWaalsContact CD1-CD1 3.48Å; F605-L609 HydrophobicContact CD1-CG 4.03Å; F605-L609 HydrophobicContact CE1-CD1 3.26Å; F605-L609 HydrophobicContact CE1-CD2 4.38Å; F605-L609 HydrophobicContact CE1-CG 3.86Å; F605-L609 HydrophobicContact CG-CD1 4.42Å; F605-L609 HydrophobicContact CZ-CD1 4.03Å; F605-L609 HydrophobicContact CZ-CD2 4.37Å; F605-L609 HydrophobicContact CZ-CG 4.2Å; F605-L609 WeakPolarHBondContact O-CB 3.44Å; F605-L609 WeakPolarHBondContact O-CG 3.42Å; F605-L609 PolarHBondContact O-N 3.45Å
606N50.1Low47.8Very low76 Ų7675.1 Ų75.141%0.40639%0.39SS..Hα-helixtrans-69.5-40.6177.9-82.3-17.6000113.1R602 F603 Y608 L609 Q610R602-N606 WeakPolarHBondContact O-CB 3.42Å; R602-N606 PolarHBondContact O-N 3.22Å; F603-N606 PolarHBondContact O-N 3.38Å; N606-Y608 VanDerWaalsContact C-N 3.35Å; N606-L609 PolarHBondContact O-N 2.88Å; N606-Q610 WeakPolarHBondContact O-CB 3.36Å; N606-Q610 WeakPolarHBondContact O-CG 3.46Å; N606-Q610 PolarHBondContact O-N 3.31Å
607S52.4Low47.3Very low48 Ų4874.8 Ų74.834%0.33638%0.384SS..Hα-helixtrans-63.9-43.5174.9-170.10000110.7F603 Q610 E611F603-S607 VanDerWaalsContact O-CB 3.27Å; F603-S607 WeakPolarHBondContact O-CB 3.12Å; F603-S607 PolarHBondContact O-N 3.45Å; S607-Q610 PolarHBondContact O-N 3.37Å; S607-E611 PolarHBondContact O-N 3.47Å
608Y53.2Low47.1Very low39 Ų3973.8 Ų73.815%0.15338%0.379CS..Hα-helixtrans-68.2-38177.9-170-98.1000112.5K396 V427 L430 L604 F605 N606 L612K396-Y608 WeakPolarHBondContact CE-OH 3.28Å; K396-Y608 VanDerWaalsContact NZ-CE2 3.32Å; V427-Y608 WeakPolarHBondContact CG1-OH 3.47Å; V427-Y608 HydrophobicContact CG2-CE1 4.35Å; V427-Y608 HydrophobicContact CG2-CE2 4.38Å; V427-Y608 VanDerWaalsContact CG2-OH 3.28Å; V427-Y608 WeakPolarHBondContact CG2-OH 3.35Å; L430-Y608 HydrophobicContact CB-CE1 4.41Å; L430-Y608 HydrophobicContact CD1-CD1 3.89Å; L430-Y608 HydrophobicContact CD1-CE1 3.62Å; L604-Y608 WeakPolarHBondContact O-CB 3.41Å; L604-Y608 PolarHBondContact O-N 3.17Å; F605-Y608 PolarHBondContact O-N 3.17Å; N606-Y608 VanDerWaalsContact C-N 3.35Å; Y608-L612 HydrophobicContact CD1-CD1 3.64Å; Y608-L612 HydrophobicContact CD1-CG 4.27Å; Y608-L612 HydrophobicContact CE1-CD1 3.24Å; Y608-L612 HydrophobicContact CE1-CG 3.99Å; Y608-L612 WeakPolarHBondContact O-CB 3.3Å; Y608-L612 WeakPolarHBondContact O-CG 3.47Å; Y608-L612 PolarHBondContact O-N 3.26Å
609L54.5Low46.8Very low14 Ų1477.4 Ų77.47%0.07339%0.389CS..Hα-helixtrans-62.6-44.8171-84.5177.3000111.6F434 F605 N606 L612 I613F434-L609 HydrophobicContact CD2-CD2 4.3Å; F434-L609 HydrophobicContact CE1-CD2 4.01Å; F434-L609 HydrophobicContact CE2-CD2 3.22Å; F434-L609 HydrophobicContact CZ-CD2 3.05Å; F605-L609 HydrophobicContact CD1-CD1 3.48Å; F605-L609 VanDerWaalsContact CD1-CD1 3.48Å; F605-L609 HydrophobicContact CD1-CG 4.03Å; F605-L609 HydrophobicContact CE1-CD1 3.26Å; F605-L609 HydrophobicContact CE1-CD2 4.38Å; F605-L609 HydrophobicContact CE1-CG 3.86Å; F605-L609 HydrophobicContact CG-CD1 4.42Å; F605-L609 HydrophobicContact CZ-CD1 4.03Å; F605-L609 HydrophobicContact CZ-CD2 4.37Å; F605-L609 HydrophobicContact CZ-CG 4.2Å; F605-L609 WeakPolarHBondContact O-CB 3.44Å; F605-L609 WeakPolarHBondContact O-CG 3.42Å; F605-L609 PolarHBondContact O-N 3.45Å; N606-L609 PolarHBondContact O-N 2.88Å; L609-L612 PolarHBondContact O-N 2.97Å; L609-I613 HydrophobicContact CB-CD1 4.46Å; L609-I613 VanDerWaalsContact O-CB 3.31Å; L609-I613 WeakPolarHBondContact O-CB 3.07Å; L609-I613 WeakPolarHBondContact O-CD1 3.33Å; L609-I613 WeakPolarHBondContact O-CG1 2.91Å; L609-I613 PolarHBondContact O-N 2.94Å
610Q56Low46.6Very low143 Ų14381.5 Ų81.567%0.66840%0.398SS*.Hα-helixtrans-62.1-42.9178.1-81.4-179.6-12.400111.6N606 S607 I613 A614N606-Q610 WeakPolarHBondContact O-CB 3.36Å; N606-Q610 WeakPolarHBondContact O-CG 3.46Å; N606-Q610 PolarHBondContact O-N 3.31Å; S607-Q610 PolarHBondContact O-N 3.37Å; Q610-I613 PolarHBondContact O-N 3.26Å; Q610-A614 WeakPolarHBondContact O-CB 3.41Å; Q610-A614 PolarHBondContact O-N 3Å
611E55.7Low46.7Very low97 Ų9779 Ų7945%0.45340%0.395SS..Hα-helixtrans-59.8-49.4172.3-83.5-175.4-178.300112K396 S607 I613 A614 M615K396-E611 IonicContact NZ-OE2 2.76Å; K396-E611 PolarHBondContact NZ-OE2 2.92Å; K396-E611 VanDerWaalsContact NZ-OE2 3.12Å; S607-E611 PolarHBondContact O-N 3.47Å; E611-I613 VanDerWaalsContact C-N 3.34Å; E611-I613 PolarHBondContact O-N 2.89Å; E611-A614 WeakPolarHBondContact O-CB 3.29Å; E611-A614 PolarHBondContact O-N 3.47Å; E611-M615 VanDerWaalsContact O-CG 3.26Å; E611-M615 WeakPolarHBondContact O-CG 3.45Å; E611-M615 PolarHBondContact O-N 3.33Å
612L54.3Low46.5Very low7 Ų784.4 Ų84.44%0.03742%0.421CS..Hα-helixtrans-64.4-37.1-179.3-76.5177.2000112.8L430 L431 F434 Y608 L609 M615 S616L430-L612 HydrophobicContact CB-CD1 3.94Å; L431-L612 HydrophobicContact CD2-CD2 3.85Å; F434-L612 HydrophobicContact CB-CB 4.48Å; F434-L612 HydrophobicContact CD2-CB 4.41Å; F434-L612 HydrophobicContact CD2-CD1 3.9Å; F434-L612 HydrophobicContact CG-CB 4.49Å; Y608-L612 HydrophobicContact CD1-CD1 3.64Å; Y608-L612 HydrophobicContact CD1-CG 4.27Å; Y608-L612 HydrophobicContact CE1-CD1 3.24Å; Y608-L612 HydrophobicContact CE1-CG 3.99Å; Y608-L612 WeakPolarHBondContact O-CB 3.3Å; Y608-L612 WeakPolarHBondContact O-CG 3.47Å; Y608-L612 PolarHBondContact O-N 3.26Å; L609-L612 PolarHBondContact O-N 2.97Å; L612-M615 HydrophobicContact CD2-SD 4.41Å; L612-M615 PolarHBondContact O-N 2.95Å; L612-S616 PolarHBondContact O-N 3.42Å; L612-S616 PolarHBondContact O-OG 3.35Å
613I54.1Low46.1Very low59 Ų5982.9 Ų82.930%0.30344%0.436SS..Hα-helixtrans-69.1-37.9174.7-67.9163.7000110.7F434 L609 Q610 E611 M615 S616 R617F434-I613 HydrophobicContact CE1-CG1 4.46Å; L609-I613 HydrophobicContact CB-CD1 4.46Å; L609-I613 VanDerWaalsContact O-CB 3.31Å; L609-I613 WeakPolarHBondContact O-CB 3.07Å; L609-I613 WeakPolarHBondContact O-CD1 3.33Å; L609-I613 WeakPolarHBondContact O-CG1 2.91Å; L609-I613 PolarHBondContact O-N 2.94Å; Q610-I613 PolarHBondContact O-N 3.26Å; E611-I613 VanDerWaalsContact C-N 3.34Å; E611-I613 PolarHBondContact O-N 2.89Å; I613-M615 VanDerWaalsContact C-N 3.32Å; I613-S616 PolarHBondContact O-N 3.42Å; I613-S616 PolarHBondContact O-OG 3.16Å; I613-R617 WeakPolarHBondContact O-CG 3.27Å; I613-R617 PolarHBondContact O-N 3.14Å
614A54.9Low46Very low58 Ų5884.8 Ų84.848%0.47945%0.449SS..Hα-helixtrans-64.2-40.6173.900000111.1Q610 E611 R617 S618Q610-A614 WeakPolarHBondContact O-CB 3.41Å; Q610-A614 PolarHBondContact O-N 3Å; E611-A614 WeakPolarHBondContact O-CB 3.29Å; E611-A614 PolarHBondContact O-N 3.47Å; A614-R617 PolarHBondContact O-N 3.22Å; A614-S618 PolarHBondContact O-N 3.36Å; A614-S618 VanDerWaalsContact O-N 3.1Å
615M49.9Very low45.8Very low38 Ų3889.1 Ų89.119%0.18747%0.467CS..Hα-helixtrans-64.3-41.9175.6-69.6173.365.300112.2R400 E611 L612 I613 S618 Y619R400-M615 HydrophobicContact CG-CE 3.32Å; E611-M615 VanDerWaalsContact O-CG 3.26Å; E611-M615 WeakPolarHBondContact O-CG 3.45Å; E611-M615 PolarHBondContact O-N 3.33Å; L612-M615 HydrophobicContact CD2-SD 4.41Å; L612-M615 PolarHBondContact O-N 2.95Å; I613-M615 VanDerWaalsContact C-N 3.32Å; M615-S618 PolarHBondContact O-N 2.89Å; M615-S618 PolarHBondContact O-OG 2.95Å; M615-Y619 WeakPolarHBondContact O-CD2 3.32Å
616S44.5Very low45.1Very low42 Ų4295 Ų9529%0.29450%0.499SS..Hα-helixtrans-68.3-35.6177.163.50000112.7L612 I613 S618 Y619L612-S616 PolarHBondContact O-N 3.42Å; L612-S616 PolarHBondContact O-OG 3.35Å; I613-S616 PolarHBondContact O-N 3.42Å; I613-S616 PolarHBondContact O-OG 3.16Å; S616-S618 VanDerWaalsContact C-N 3.33Å; S616-S618 PolarHBondContact O-N 2.97Å; S616-Y619 PolarHBondContact O-N 3.42Å
617R42.8Very low44.3Very low165 Ų16599 Ų9962%0.62352%0.521SS*.Hα-helixtrans-67.8-30.5175.3-73.7177.4179.1-175.6-0.2113.5I613 A614 Y619 E620 T621I613-R617 WeakPolarHBondContact O-CG 3.27Å; I613-R617 PolarHBondContact O-N 3.14Å; A614-R617 PolarHBondContact O-N 3.22Å; R617-Y619 PolarHBondContact O-N 2.97Å; R617-E620 PolarHBondContact O-N 3.12Å; R617-T621 PolarHBondContact O-N 3.15Å; R617-T621 PolarHBondContact O-OG1 3.27Å
618S44.5Very low43.4Very low66 Ų66106.8 Ų106.846%0.46255%0.548SS..Hα-helixtrans-65-18.8178.470.50000114A614 M615 S616A614-S618 PolarHBondContact O-N 3.36Å; A614-S618 VanDerWaalsContact O-N 3.1Å; M615-S618 PolarHBondContact O-N 2.89Å; M615-S618 PolarHBondContact O-OG 2.95Å; S616-S618 VanDerWaalsContact C-N 3.33Å; S616-S618 PolarHBondContact O-N 2.97Å
619Y41.3Very low42.3Very low150 Ų150110.8 Ų110.859%0.58858%0.581SS**THydrogen-bonded Turntrans-82.3-16.6171.8-79.2-83000113.9R400 M615 S616 R617R400-Y619 PolarHBondContact O-OH 3.41Å; M615-Y619 WeakPolarHBondContact O-CD2 3.32Å; S616-Y619 PolarHBondContact O-N 3.42Å; R617-Y619 PolarHBondContact O-N 2.97Å
620E37.5Very low41.3Very low151 Ų151113.1 Ų113.171%0.70661%0.608SS**THydrogen-bonded Turntrans-103.1-4.8-175.1-69.5-175.8168.200113.6R617R617-E620 PolarHBondContact O-N 3.12Å
621T34.9Very low40.3Very low102 Ų102113.4 Ų113.463%0.62662%0.619SS**SBendtrans-109.46.9-173.255.60000116.5R617 G623R617-T621 PolarHBondContact O-N 3.15Å; R617-T621 PolarHBondContact O-OG1 3.27Å; T621-G623 PolarHBondContact O-N 3.32Å
622N34.5Very low39.6Very low163 Ų163113.8 Ų113.887%0.87263%0.633SS**THydrogen-bonded Turntrans-8732.7172.5-74.6-17.8000113.5
623G33.1Very low39.2Very low66 Ų66118 Ų11868%0.6866%0.663SS**THydrogen-bonded Turntrans-136.61.9-172.400000117.5T621T621-G623 PolarHBondContact O-N 3.32Å
624M33.3Very low38.6Very low187 Ų187121.3 Ų121.392%0.92169%0.686SS**  trans-138.988.8172.3-83.9-175.3164.600110.8
625E33.4Very low38.6Very low179 Ų179124.7 Ų124.784%0.83670%0.7SS**  trans-66.9144.6153.1-73.5-176.8148.400109.5
626N31.6Very low38.7Very low145 Ų145131.1 Ų131.178%0.77573%0.73SS**  trans82.986.5168.2-52.7-40000117.2
627D34.7Very low39.2Very low161 Ų161133.8 Ų133.886%0.86175%0.746SS**  -154.3115.4113.7-113-17.4000112.7C629D627-C629 PolarHBondContact O-N 3.23Å
628K33.6Very low40.3Very low211 Ų211130.8 Ų130.892%0.91774%0.742SS**  trans-78.7106.9162.6-75.2176.8176174.70107
629C28.9Very low41.6Very low123 Ų123133.4 Ų133.483%0.83175%0.751SS**  trans-154.1121.8161.4-163.90000112.9D627D627-C629 PolarHBondContact O-N 3.23Å
630G33.8Very low43.3Very low63 Ų63131.7 Ų131.765%0.64976%0.756SS**  trans87.192.2146.100000116.6S632G630-S632 PolarHBondContact O-N 2.95Å
631T34.8Very low44.5Very low148 Ų148131.8 Ų131.891%0.90876%0.756SS**  trans-5885.7143490000108S633T631-S633 PolarHBondContact O-N 3.06Å
632S42Very low45.3Very low105 Ų105132.8 Ų132.873%0.73476%0.757SS**  trans-65.6102169.1154.50000107.1G630 V634G630-S632 PolarHBondContact O-N 2.95Å; S632-V634 PolarHBondContact O-N 2.71Å; S632-V634 VanDerWaalsContact O-N 3.09Å
633S45.3Very low46.2Very low96 Ų96130.3 Ų130.367%0.67174%0.743SS**  trans-48.9116.7166.858.30000108.6T631 V635T631-S633 PolarHBondContact O-N 3.06Å; S633-V635 PolarHBondContact O-N 3.19Å
634V42.2Very low47.1Very low129 Ų129132.4 Ų132.478%0.78274%0.744SS**  trans-58.1111.8170178.10000106.6S632 Q636S632-V634 PolarHBondContact O-N 2.71Å; S632-V634 VanDerWaalsContact O-N 3.09Å; V634-Q636 PolarHBondContact O-N 3.42Å
635V54.8Low47.9Very low129 Ų129131.9 Ų131.978%0.78274%0.737SS**  trans-62.6105174.81790000107S633S633-V635 PolarHBondContact O-N 3.19Å
636Q51.6Low48.8Very low172 Ų172132.2 Ų132.280%0.80474%0.736SS**  trans-79.6128.6172-83.8-174.9-2800109V634V634-Q636 PolarHBondContact O-N 3.42Å
637P54.6Low49.7Very low99 Ų99129.3 Ų129.364%0.64373%0.725SS**  trans-65.7139.7172.826.5-31.4000110L639P637-L639 HydrophobicContact CG-CD2 4.36Å; P637-L639 PolarHBondContact O-N 3.06Å
638D66.2Low50.4Low101 Ų101130.9 Ų130.954%0.5472%0.719SS.*  trans-65.9107.2172.6-174.2-6.9000109.7T640 H641D638-T640 PolarHBondContact O-N 2.8Å; D638-T640 WeakPolarHBondContact OD1-CB 3.47Å; D638-T640 WeakPolarHBondContact OD1-CG2 3.5Å; D638-T640 PolarHBondContact OD1-N 3.37Å; D638-T640 PolarHBondContact OD1-OG1 3.27Å; D638-T640 PolarHBondContact OD2-OG1 3.42Å; D638-H641 IonicContact OD2-CD2 2.81Å
639L72.7Confident51.1Low121 Ų121132.9 Ų132.963%0.63472%0.721SS**G310 helixtrans-73.1-9.6-176.8-57.4177.6000112.6P637 H641 L642P637-L639 HydrophobicContact CG-CD2 4.36Å; P637-L639 PolarHBondContact O-N 3.06Å; L639-H641 PolarHBondContact O-N 3Å; L639-L642 HydrophobicContact CB-CD1 3.93Å; L639-L642 HydrophobicContact CD2-CD1 3.43Å; L639-L642 VanDerWaalsContact CD2-CD1 3.43Å; L639-L642 HydrophobicContact CD2-CG 4.48Å; L639-L642 HydrophobicContact CG-CD1 4.24Å; L639-L642 WeakPolarHBondContact O-CB 3.06Å; L639-L642 PolarHBondContact O-N 3.24Å
640T74.9Confident52.2Low115 Ų115131.3 Ų131.371%0.70671%0.707SS**G310 helixtrans-69-18.8-179.563.20000113.4D638D638-T640 PolarHBondContact O-N 2.8Å; D638-T640 WeakPolarHBondContact OD1-CB 3.47Å; D638-T640 WeakPolarHBondContact OD1-CG2 3.5Å; D638-T640 PolarHBondContact OD1-N 3.37Å; D638-T640 PolarHBondContact OD1-OG1 3.27Å; D638-T640 PolarHBondContact OD2-OG1 3.42Å
641H63.1Low52.9Low152 Ų152131.3 Ų131.370%0.70470%0.696SS**G310 helixtrans-90.94.1175.5-69.5-84.5000114D638 L639 I643D638-H641 IonicContact OD2-CD2 2.81Å; L639-H641 PolarHBondContact O-N 3Å; H641-I643 PolarHBondContact O-N 3.45Å
642L52.3Low53.8Low123 Ų123134.1 Ų134.164%0.64469%0.69SS**  trans-76.6111.8179.1-72.1172.9000111.6L639L639-L642 HydrophobicContact CB-CD1 3.93Å; L639-L642 HydrophobicContact CD2-CD1 3.43Å; L639-L642 VanDerWaalsContact CD2-CD1 3.43Å; L639-L642 HydrophobicContact CD2-CG 4.48Å; L639-L642 HydrophobicContact CG-CD1 4.24Å; L639-L642 WeakPolarHBondContact O-CB 3.06Å; L639-L642 PolarHBondContact O-N 3.24Å
643I52.5Low54.6Low112 Ų112131.9 Ų131.957%0.57468%0.684SS**  trans-80.7138.4167.3-55.2163.9000107.6H641 F645H641-I643 PolarHBondContact O-N 3.45Å; I643-F645 PolarHBondContact O-N 3.03Å
644P52.7Low55.1Low109 Ų109131.4 Ų131.471%0.70867%0.67SS**  trans-54111.9178.6-2634.9000111.3K646P644-K646 PolarHBondContact O-N 3.08Å
645F50Low55.9Low177 Ų177130 Ų13078%0.77665%0.653SS**  trans-62.7108.9173-179-120.2000108.2I643 P647I643-F645 PolarHBondContact O-N 3.03Å; F645-P647 HydrophobicContact CD1-CB 4.18Å; F645-P647 VanDerWaalsContact CD1-CD 3.49Å; F645-P647 HydrophobicContact CD1-CG 3.81Å; F645-P647 HydrophobicContact CE1-CB 3.48Å; F645-P647 VanDerWaalsContact CE1-CB 3.48Å; F645-P647 HydrophobicContact CE1-CG 3.53Å; F645-P647 HydrophobicContact CE2-CB 4.44Å; F645-P647 HydrophobicContact CZ-CB 3.64Å; F645-P647 HydrophobicContact CZ-CG 4.19Å; F645-P647 WeakPolarHBondContact O-CD 3.36Å
646K52.4Low56.1Low185 Ų185130.3 Ų130.380%0.80465%0.646SS**  trans-101.683168.9-82.8-175.8177.21740108.4P644 R648P644-K646 PolarHBondContact O-N 3.08Å; K646-R648 PolarHBondContact O-N 3.21Å
647P49.9Very low56.3Low85 Ų85126.2 Ų126.255%0.55263%0.634SS**  trans-61.1111.2174.721.6-26.8000108.5F645 R649F645-P647 HydrophobicContact CD1-CB 4.18Å; F645-P647 VanDerWaalsContact CD1-CD 3.49Å; F645-P647 HydrophobicContact CD1-CG 3.81Å; F645-P647 HydrophobicContact CE1-CB 3.48Å; F645-P647 VanDerWaalsContact CE1-CB 3.48Å; F645-P647 HydrophobicContact CE1-CG 3.53Å; F645-P647 HydrophobicContact CE2-CB 4.44Å; F645-P647 HydrophobicContact CZ-CB 3.64Å; F645-P647 HydrophobicContact CZ-CG 4.19Å; F645-P647 WeakPolarHBondContact O-CD 3.36Å; P647-R649 PolarHBondContact O-N 3.34Å
648R49.5Very low56.4Low193 Ų193124.9 Ų124.973%0.72862%0.624SS**  trans-72.3119.6159.6-69.7-174.9-171.1-95.92.7106.3K646 V650 D662K646-R648 PolarHBondContact O-N 3.21Å; R648-V650 PolarHBondContact O-N 3.29Å; R648-D662 IonicContact NE-OD2 2.71Å
649R49.3Very low55.6Low254 Ų254126.6 Ų126.696%0.95864%0.641SS**SBendtrans-49.6-22.2-178.5-82.2-176.1172.4-173-2.5114.3P647P647-R649 PolarHBondContact O-N 3.34Å
650V51.3Low54.7Low90 Ų90123.3 Ų123.355%0.54564%0.636SS.*  trans-142111.8173.5-170.10000107.8R648 R652R648-V650 PolarHBondContact O-N 3.29Å; V650-R652 HydrophobicContact CB-CG 4.04Å; V650-R652 HydrophobicContact CG1-CG 3.4Å; V650-R652 PolarHBondContact O-N 2.83Å
651C48.5Very low53.9Low63 Ų63119.5 Ų119.543%0.42662%0.62SS.*  trans-67.990.8159.7-74.20000107
652R53.3Low53.7Low207 Ų207115 Ų11578%0.78160%0.601SS**  trans-84.7125.9172.1-70.8-166.8179.6-162.20.3108.4V650V650-R652 HydrophobicContact CB-CG 4.04Å; V650-R652 HydrophobicContact CG1-CG 3.4Å; V650-R652 PolarHBondContact O-N 2.83Å
653G58.9Low54.1Low58 Ų58116.7 Ų116.760%0.59860%0.603SS**SBendtrans98.3-150.8172.800000113.9F655G653-F655 VanDerWaalsContact C-N 3.35Å; G653-F655 PolarHBondContact O-N 3.47Å
654F56.3Low54.8Low86 Ų86115.2 Ų115.238%0.37760%0.601SS.*SBendtrans-95.420.1-165-58.5-65.3000114.1P665 L673F654-P665 HydrophobicContact CB-CG 4.41Å; F654-P665 WeakPolarHBondContact O-CG 3.44Å; F654-L673 HydrophobicContact CB-CB 4.06Å; F654-L673 HydrophobicContact CB-CD1 4.06Å; F654-L673 HydrophobicContact CD1-CB 3.46Å; F654-L673 VanDerWaalsContact CD1-CB 3.46Å; F654-L673 HydrophobicContact CD1-CG 4.43Å; F654-L673 HydrophobicContact CD2-CB 4.49Å; F654-L673 HydrophobicContact CE1-CB 4.01Å; F654-L673 WeakPolarHBondContact CE1-O 3.44Å; F654-L673 HydrophobicContact CG-CB 3.74Å; F654-L673 VanDerWaalsContact CZ-O 3.31Å; F654-L673 WeakPolarHBondContact CZ-O 3.4Å
655F59.9Low55.6Low100 Ų100111.3 Ų111.344%0.43958%0.576SS.*PPolyproline II helixtrans-81.7126.8-179.4-63.8-85.1000110.2G653 D662 P664G653-F655 VanDerWaalsContact C-N 3.35Å; G653-F655 PolarHBondContact O-N 3.47Å; F655-D662 HydrophobicContact CB-CB 4.17Å; F655-D662 HydrophobicContact CD1-CB 4.18Å; F655-D662 HydrophobicContact CG-CB 4.43Å; F655-P664 HydrophobicContact CD1-CB 4.42Å; F655-P664 HydrophobicContact CE1-CB 3.91Å
656H58.1Low56.9Low134 Ų134106.8 Ų106.862%0.6256%0.564SS**EExtended strand (participates in β ladder)trans-88.8126171.6-166.6-51.9000108.4V658H656-V658 WeakPolarHBondContact O-CG2 3.37Å; H656-V658 PolarHBondContact O-N 2.86Å
657P55.5Low58.1Low87 Ų87103.5 Ų103.557%0.56556%0.562SS**EExtended strand (participates in β ladder)trans-68.9117.4171.327.4-30.5000108.2
658V56.3Low59.5Low71 Ų71102.7 Ų102.743%0.4356%0.562SS.*EExtended strand (participates in β ladder)trans-114.1146.5174.2-148.60000107H656 G660 G661 F663H656-V658 WeakPolarHBondContact O-CG2 3.37Å; H656-V658 PolarHBondContact O-N 2.86Å; V658-G660 PolarHBondContact O-N 3.37Å; V658-G661 PolarHBondContact N-O 3.27Å; V658-G661 VanDerWaalsContact N-O 3.15Å; V658-G661 PolarHBondContact O-N 2.98Å; V658-G661 VanDerWaalsContact O-O 3.09Å; V658-F663 HydrophobicContact CG2-CB 4.2Å
659P50.8Low60.8Low137 Ų13796.4 Ų96.489%0.8955%0.545SS*.THydrogen-bonded Turntrans-50.5112.3167.9-26.334.3000109.8
660G53.6Low62.2Low52 Ų5286.7 Ų86.754%0.53651%0.514SS..THydrogen-bonded Turntrans115-10.1-173.300000116.3V658V658-G660 PolarHBondContact O-N 3.37Å
661G57.7Low63.5Low35 Ų3591.5 Ų91.536%0.36152%0.523SS..EExtended strand (participates in β ladder)trans133.1-171.3172.100000114.1V658 F663V658-G661 PolarHBondContact N-O 3.27Å; V658-G661 VanDerWaalsContact N-O 3.15Å; V658-G661 PolarHBondContact O-N 2.98Å; V658-G661 VanDerWaalsContact O-O 3.09Å; G661-F663 PolarHBondContact O-N 3.15Å
662D59.9Low65.1Low57 Ų5793.1 Ų93.131%0.30553%0.526SS..EExtended strand (participates in β ladder)trans-84.9108.9179.1-55.6-27.5000108.9R648 F655R648-D662 IonicContact NE-OD2 2.71Å; F655-D662 HydrophobicContact CB-CB 4.17Å; F655-D662 HydrophobicContact CD1-CB 4.18Å; F655-D662 HydrophobicContact CG-CB 4.43Å
663F60.3Low66.1Low158 Ų15885.4 Ų85.469%0.69350%0.5SS*.EExtended strand (participates in β ladder)trans-92.2123174-117.3-91.6000109.8V658 G661V658-F663 HydrophobicContact CG2-CB 4.2Å; G661-F663 PolarHBondContact O-N 3.15Å
664P66Low67.1Low81 Ų8186 Ų8653%0.52650%0.495SS..PPolyproline II helixtrans-66133.2173.924.6-30000109.9F655F655-P664 HydrophobicContact CD1-CB 4.42Å; F655-P664 HydrophobicContact CE1-CB 3.91Å
665P70.5Confident68.3Low27 Ų2788.8 Ų88.818%0.17551%0.511CS..PPolyproline II helixtrans-61.7154.4172.614.1-17000111.1F654 T669 T670 L673F654-P665 HydrophobicContact CB-CG 4.41Å; F654-P665 WeakPolarHBondContact O-CG 3.44Å; P665-T669 HydrophobicContact CB-CG2 4.01Å; P665-T670 WeakPolarHBondContact CG-OG1 3.38Å; P665-T670 PolarHBondContact O-OG1 3.39Å; P665-L673 HydrophobicContact CB-CD1 3.9Å; P665-L673 HydrophobicContact CG-CD1 3.53Å
666P78.1Confident69.4Low82 Ų8287.8 Ų87.853%0.53251%0.51SS..PPolyproline II helixtrans-49.8145.2173.5-26.533.6000111.2A668 T669 T670P666-A668 PolarHBondContact O-N 3.29Å; P666-T669 CarbonylContact O-C 3.34Å; P666-T669 WeakPolarHBondContact O-CA 3.27Å; P666-T669 WeakPolarHBondContact O-CB 3.05Å; P666-T669 PolarHBondContact O-N 3.22Å; P666-T670 PolarHBondContact O-N 3.02Å; P666-T670 PolarHBondContact O-OG1 3.39Å
667P77Confident70.3Confident117 Ų11784.6 Ų84.676%0.7650%0.501SS*.Hα-helixtrans-52-35.9-173.3-28.333.6000114.5T670 R671P667-T670 PolarHBondContact O-N 3.45Å; P667-R671 PolarHBondContact O-N 3.44Å; P667-R671 VanDerWaalsContact O-N 3.09Å
668A79.5Confident71.2Confident68 Ų6884 Ų8456%0.56250%0.497SS*.Hα-helixtrans-64.3-45.8174.600000112.1P666 R671 I672P666-A668 PolarHBondContact O-N 3.29Å; A668-R671 WeakPolarHBondContact O-CB 3.4Å; A668-R671 PolarHBondContact O-N 3.22Å; A668-I672 WeakPolarHBondContact O-CG1 3.3Å; A668-I672 PolarHBondContact O-N 3.46Å; A668-I672 VanDerWaalsContact O-N 3.08Å
669T77.1Confident71.8Confident61 Ų6185.9 Ų85.937%0.37451%0.51SS..Hα-helixtrans-65.5-40176.4-44.80000111.2P665 P666 R671 I672 L673P665-T669 HydrophobicContact CB-CG2 4.01Å; P666-T669 CarbonylContact O-C 3.34Å; P666-T669 WeakPolarHBondContact O-CA 3.27Å; P666-T669 WeakPolarHBondContact O-CB 3.05Å; P666-T669 PolarHBondContact O-N 3.22Å; T669-R671 VanDerWaalsContact C-N 3.28Å; T669-R671 PolarHBondContact O-N 3.49Å; T669-I672 PolarHBondContact O-N 3.29Å; T669-L673 HydrophobicContact CG2-CD1 3.9Å; T669-L673 HydrophobicContact CG2-CG 4.28Å; T669-L673 VanDerWaalsContact O-CB 3.3Å; T669-L673 WeakPolarHBondContact O-CB 3.17Å; T669-L673 VanDerWaalsContact O-CG 3.23Å; T669-L673 WeakPolarHBondContact O-CG 2.98Å; T669-L673 PolarHBondContact O-N 2.97Å
670T77.5Confident72.7Confident50 Ų5090 Ų9031%0.30751%0.508SS..Hα-helixtrans-59.9-38.8174.4-54.40000111.8P665 P666 P667 S674P665-T670 WeakPolarHBondContact CG-OG1 3.38Å; P665-T670 PolarHBondContact O-OG1 3.39Å; P666-T670 PolarHBondContact O-N 3.02Å; P666-T670 PolarHBondContact O-OG1 3.39Å; P667-T670 PolarHBondContact O-N 3.45Å; T670-S674 WeakPolarHBondContact O-CB 2.99Å; T670-S674 PolarHBondContact O-N 3.38Å
671R79.8Confident73.8Confident191 Ų19191.6 Ų91.672%0.72151%0.51SS*.Hα-helixtrans-63.8-46.6173.9-126.3176.6-173.9153.61111.5P667 A668 T669 S674 M675P667-R671 PolarHBondContact O-N 3.44Å; P667-R671 VanDerWaalsContact O-N 3.09Å; A668-R671 WeakPolarHBondContact O-CB 3.4Å; A668-R671 PolarHBondContact O-N 3.22Å; T669-R671 VanDerWaalsContact C-N 3.28Å; T669-R671 PolarHBondContact O-N 3.49Å; R671-S674 PolarHBondContact O-N 3.01Å; R671-S674 PolarHBondContact O-OG 3.21Å; R671-M675 WeakPolarHBondContact O-CE 3.32Å; R671-M675 WeakPolarHBondContact O-CG 3.17Å; R671-M675 PolarHBondContact O-N 3.49Å
672I80.5Confident74.3Confident97 Ų9795.6 Ų95.650%0.49752%0.518SS..Hα-helixtrans-61.6-48.5176.7-66.3168.9000110.5A668 T669 S674 M675 I676A668-I672 WeakPolarHBondContact O-CG1 3.3Å; A668-I672 PolarHBondContact O-N 3.46Å; A668-I672 VanDerWaalsContact O-N 3.08Å; T669-I672 PolarHBondContact O-N 3.29Å; I672-S674 PolarHBondContact O-N 3.31Å; I672-M675 HydrophobicContact CG1-CE 4.4Å; I672-M675 WeakPolarHBondContact O-CA 3.11Å; I672-M675 WeakPolarHBondContact O-CB 3.47Å; I672-M675 PolarHBondContact O-N 3.3Å; I672-I676 WeakPolarHBondContact O-CG1 3.35Å; I672-I676 PolarHBondContact O-N 3.05Å; I672-I676 VanDerWaalsContact O-N 3.08Å
673L75.2Confident74.7Confident45 Ų45100.2 Ų100.224%0.23654%0.543CS..Hα-helixtrans-56.3-37.1177.8-74.2167.8000111.4F654 P665 T669 M675 I676F654-L673 HydrophobicContact CB-CB 4.06Å; F654-L673 HydrophobicContact CB-CD1 4.06Å; F654-L673 HydrophobicContact CD1-CB 3.46Å; F654-L673 VanDerWaalsContact CD1-CB 3.46Å; F654-L673 HydrophobicContact CD1-CG 4.43Å; F654-L673 HydrophobicContact CD2-CB 4.49Å; F654-L673 HydrophobicContact CE1-CB 4.01Å; F654-L673 WeakPolarHBondContact CE1-O 3.44Å; F654-L673 HydrophobicContact CG-CB 3.74Å; F654-L673 VanDerWaalsContact CZ-O 3.31Å; F654-L673 WeakPolarHBondContact CZ-O 3.4Å; P665-L673 HydrophobicContact CB-CD1 3.9Å; P665-L673 HydrophobicContact CG-CD1 3.53Å; T669-L673 HydrophobicContact CG2-CD1 3.9Å; T669-L673 HydrophobicContact CG2-CG 4.28Å; T669-L673 VanDerWaalsContact O-CB 3.3Å; T669-L673 WeakPolarHBondContact O-CB 3.17Å; T669-L673 VanDerWaalsContact O-CG 3.23Å; T669-L673 WeakPolarHBondContact O-CG 2.98Å; T669-L673 PolarHBondContact O-N 2.97Å; L673-M675 PolarHBondContact O-N 3.44Å; L673-I676 HydrophobicContact CD2-CD1 3.74Å; L673-I676 HydrophobicContact CD2-CG1 4.44Å; L673-I676 WeakPolarHBondContact O-CG1 3.44Å; L673-I676 PolarHBondContact O-N 3.09Å
674S79.8Confident75.1Confident71 Ų7194.5 Ų94.550%0.49753%0.528SS..Hα-helixtrans-68.3-17.5173.775.70000115.6T670 R671 I672T670-S674 WeakPolarHBondContact O-CB 2.99Å; T670-S674 PolarHBondContact O-N 3.38Å; R671-S674 PolarHBondContact O-N 3.01Å; R671-S674 PolarHBondContact O-OG 3.21Å; I672-S674 PolarHBondContact O-N 3.31Å
675M82.3Confident75.2Confident143 Ų14397 Ų9770%0.70454%0.544SS*.Hα-helixtrans-98.8-21.2178.7-65.9-175.4-74.900113.1R671 I672 L673R671-M675 WeakPolarHBondContact O-CE 3.32Å; R671-M675 WeakPolarHBondContact O-CG 3.17Å; R671-M675 PolarHBondContact O-N 3.49Å; I672-M675 HydrophobicContact CG1-CE 4.4Å; I672-M675 WeakPolarHBondContact O-CA 3.11Å; I672-M675 WeakPolarHBondContact O-CB 3.47Å; I672-M675 PolarHBondContact O-N 3.3Å; L673-M675 PolarHBondContact O-N 3.44Å
676I81.1Confident75.4Confident80 Ų80103.5 Ų103.541%0.4157%0.57SS.*SBendtrans-90.7151.5179.751.9172.7000112I672 L673I672-I676 WeakPolarHBondContact O-CG1 3.35Å; I672-I676 PolarHBondContact O-N 3.05Å; I672-I676 VanDerWaalsContact O-N 3.08Å; L673-I676 HydrophobicContact CD2-CD1 3.74Å; L673-I676 HydrophobicContact CD2-CG1 4.44Å; L673-I676 WeakPolarHBondContact O-CG1 3.44Å; L673-I676 PolarHBondContact O-N 3.09Å
677P78.9Confident75.3Confident67 Ų67104.3 Ų104.344%0.43557%0.573SS.*PPolyproline II helixtrans-55.2147.8172.7-22.232.2000111C681 F682P677-C681 HydrophobicContact CB-CB 3.8Å; P677-F682 HydrophobicContact CB-CE2 4.2Å; P677-F682 HydrophobicContact CG-CE2 4.5Å; P677-F682 HydrophobicContact CG-CZ 4.39Å
678P74.1Confident75.5Confident74 Ų74105.3 Ų105.348%0.48157%0.566SS.*PPolyproline II helixtrans-50.7147.9171.8-23.331.1000111.1R680 C681P678-R680 PolarHBondContact O-N 3.3Å; P678-C681 WeakPolarHBondContact O-CB 3.21Å; P678-C681 PolarHBondContact O-N 3.47Å
679P68.1Low75.6Confident110 Ų110106.3 Ų106.371%0.71456%0.564SS**G310 helixtrans-53.4-28.4-179.2-25.432000113.8C681 F682P679-C681 PolarHBondContact O-N 3.31Å; P679-C681 VanDerWaalsContact O-N 3.14Å; P679-F682 PolarHBondContact O-N 2.99Å; P679-F682 VanDerWaalsContact O-N 3.1Å
680R70.8Confident75.8Confident224 Ų224109.7 Ų109.785%0.84558%0.58SS**G310 helixtrans-63.8-12.5177.6-48179.6-163.3-101.2-0.7113.9P678 F682P678-R680 PolarHBondContact O-N 3.3Å; R680-F682 VanDerWaalsContact C-N 3.33Å
681C75.3Confident76.1Confident85 Ų85112.6 Ų112.657%0.57459%0.59SS**G310 helixtrans-85.6-6.2176-63.20000112.9P677 P678 P679P677-C681 HydrophobicContact CB-CB 3.8Å; P678-C681 WeakPolarHBondContact O-CB 3.21Å; P678-C681 PolarHBondContact O-N 3.47Å; P679-C681 PolarHBondContact O-N 3.31Å; P679-C681 VanDerWaalsContact O-N 3.14Å
682F69.2Low76.3Confident119 Ų119107.5 Ų107.552%0.52258%0.577SS.*  trans-108.591.1-179.2-64-84.4000110.8P677 P679 R680 G684 F686P677-F682 HydrophobicContact CB-CE2 4.2Å; P677-F682 HydrophobicContact CG-CE2 4.5Å; P677-F682 HydrophobicContact CG-CZ 4.39Å; P679-F682 PolarHBondContact O-N 2.99Å; P679-F682 VanDerWaalsContact O-N 3.1Å; R680-F682 VanDerWaalsContact C-N 3.33Å; F682-G684 VanDerWaalsContact C-N 3.34Å; F682-G684 PolarHBondContact O-N 2.84Å; F682-F686 WeakPolarHBondContact O-CE1 3.43Å
683D67.8Low76.4Confident155 Ų155107 Ų10783%0.82958%0.575SS**  trans-90.966.3172.5-80.2-29000111.2
684G68.8Low76.9Confident38 Ų38107.3 Ų107.339%0.39258%0.584SS.*SBendtrans58.5-179.6170.600000116.9F682F682-G684 VanDerWaalsContact C-N 3.34Å; F682-G684 PolarHBondContact O-N 2.84Å
685P67.9Low77.1Confident133 Ų133111.2 Ų111.286%0.86459%0.592SS**PPolyproline II helixcis-61.5131.9-12.826.8-33.1000110.7
686F74.5Confident77.1Confident164 Ų164109.6 Ų109.672%0.71959%0.586SS**PPolyproline II helixtrans-70.7135-179.5-60.5-76.1000109.6F682 K688F682-F686 WeakPolarHBondContact O-CE1 3.43Å; F686-K688 PolarHBondContact O-N 3.28Å
687V76.3Confident77.1Confident98 Ų98113.9 Ų113.959%0.59460%0.604SS**PPolyproline II helixtrans-59134.9171.4179.70000107.7V689 L692V687-V689 VanDerWaalsContact C-N 3.28Å; V687-V689 WeakPolarHBondContact O-CG2 3.46Å; V687-V689 PolarHBondContact O-N 3.36Å; V687-L692 HydrophobicContact CG1-CB 4.01Å; V687-L692 HydrophobicContact CG1-CD2 4.2Å
688K81.2Confident77.2Confident138 Ų138116.3 Ų116.360%0.662%0.618SS**  trans-63.294.6170.3-68.5-178.7-177-177.80108.4F686 D690 E691 L692F686-K688 PolarHBondContact O-N 3.28Å; K688-D690 PolarHBondContact O-N 3.42Å; K688-D690 VanDerWaalsContact O-N 3.16Å; K688-E691 HydrophobicContact CB-CB 4.14Å; K688-E691 HydrophobicContact CB-CG 4.19Å; K688-E691 HydrophobicContact CD-CG 4.18Å; K688-E691 WeakPolarHBondContact CD-OE1 3.42Å; K688-E691 IonicContact NZ-OE1 2.95Å; K688-E691 PolarHBondContact NZ-OE1 3.4Å; K688-E691 PolarHBondContact O-N 3.15Å; K688-L692 PolarHBondContact O-N 3.39Å; K688-L692 VanDerWaalsContact O-N 3.08Å
689V81.1Confident77.4Confident89 Ų89119.9 Ų119.954%0.53963%0.626SS.*Hα-helixtrans-56.1-36.7-170.4-174.80000110.9V687 L692 L693V687-V689 VanDerWaalsContact C-N 3.28Å; V687-V689 WeakPolarHBondContact O-CG2 3.46Å; V687-V689 PolarHBondContact O-N 3.36Å; V689-L692 PolarHBondContact O-N 3.08Å; V689-L693 HydrophobicContact CG1-CD1 3.86Å; V689-L693 HydrophobicContact CG1-CG 4.28Å; V689-L693 WeakPolarHBondContact O-CB 3.39Å; V689-L693 VanDerWaalsContact O-CG 3.32Å; V689-L693 WeakPolarHBondContact O-CG 3.12Å; V689-L693 PolarHBondContact O-N 3.41Å
690D81.6Confident77.5Confident132 Ų132119.3 Ų119.371%0.70662%0.617SS**Hα-helixtrans-66.1-41.5178.5-57.1-41.3000113.1K688 L692 L693 A694K688-D690 PolarHBondContact O-N 3.42Å; K688-D690 VanDerWaalsContact O-N 3.16Å; D690-L692 VanDerWaalsContact C-N 3.34Å; D690-L693 PolarHBondContact O-N 3.22Å; D690-A694 WeakPolarHBondContact O-CB 3.46Å; D690-A694 PolarHBondContact O-N 3.42Å
691E83.4Confident77.4Confident111 Ų111115.7 Ų115.752%0.51961%0.614SS.*Hα-helixtrans-67.8-37.2175.9-72.8-178.3-164.500111.1K688 K695K688-E691 HydrophobicContact CB-CB 4.14Å; K688-E691 HydrophobicContact CB-CG 4.19Å; K688-E691 HydrophobicContact CD-CG 4.18Å; K688-E691 WeakPolarHBondContact CD-OE1 3.42Å; K688-E691 IonicContact NZ-OE1 2.95Å; K688-E691 PolarHBondContact NZ-OE1 3.4Å; K688-E691 PolarHBondContact O-N 3.15Å; E691-K695 WeakPolarHBondContact O-CG 3.37Å; E691-K695 PolarHBondContact O-N 3.24Å
692L84.3Confident76.8Confident84 Ų84116.1 Ų116.144%0.4462%0.617SS.*Hα-helixtrans-65-46.5174.5-179.868.5000111V687 K688 V689 D690 K695 L696V687-L692 HydrophobicContact CG1-CB 4.01Å; V687-L692 HydrophobicContact CG1-CD2 4.2Å; K688-L692 PolarHBondContact O-N 3.39Å; K688-L692 VanDerWaalsContact O-N 3.08Å; V689-L692 PolarHBondContact O-N 3.08Å; D690-L692 VanDerWaalsContact C-N 3.34Å; L692-K695 PolarHBondContact O-N 3.11Å; L692-L696 HydrophobicContact CD1-CD1 4.4Å; L692-L696 HydrophobicContact CG-CD1 4Å; L692-L696 WeakPolarHBondContact O-CB 3.41Å; L692-L696 WeakPolarHBondContact O-CG 3.44Å; L692-L696 PolarHBondContact O-N 2.82Å
693L83.4Confident75.9Confident86 Ų86115.6 Ų115.645%0.4562%0.624SS.*Hα-helixtrans-62.5-42.1177.4-78.8168.4000111.5V689 D690 K695 L696 Q697V689-L693 HydrophobicContact CG1-CD1 3.86Å; V689-L693 HydrophobicContact CG1-CG 4.28Å; V689-L693 WeakPolarHBondContact O-CB 3.39Å; V689-L693 VanDerWaalsContact O-CG 3.32Å; V689-L693 WeakPolarHBondContact O-CG 3.12Å; V689-L693 PolarHBondContact O-N 3.41Å; D690-L693 PolarHBondContact O-N 3.22Å; L693-K695 PolarHBondContact O-N 2.91Å; L693-L696 PolarHBondContact O-N 3.48Å; L693-Q697 WeakPolarHBondContact O-CG 3.32Å; L693-Q697 PolarHBondContact O-N 3.36Å
694A84.5Confident75Confident52 Ų52113.3 Ų113.343%0.4362%0.621SS.*Hα-helixtrans-60.1-45.5175.400000111.4D690 Q697 T698D690-A694 WeakPolarHBondContact O-CB 3.46Å; D690-A694 PolarHBondContact O-N 3.42Å; A694-Q697 PolarHBondContact O-N 2.74Å; A694-T698 PolarHBondContact O-N 2.69Å; A694-T698 PolarHBondContact O-OG1 2.73Å
695K83.6Confident73.6Confident154 Ų154117 Ų11767%0.6764%0.636SS**Hα-helixtrans-63.3-41.6175.3-77-169.1177.2-172.40112.5E691 L692 L693 T698 F699E691-K695 WeakPolarHBondContact O-CG 3.37Å; E691-K695 PolarHBondContact O-N 3.24Å; L692-K695 PolarHBondContact O-N 3.11Å; L693-K695 PolarHBondContact O-N 2.91Å; K695-T698 PolarHBondContact O-N 2.83Å; K695-T698 PolarHBondContact O-OG1 3.48Å; K695-F699 WeakPolarHBondContact O-CB 3.28Å; K695-F699 PolarHBondContact O-N 3.02Å; K695-F699 VanDerWaalsContact O-N 3.14Å
696L82.7Confident72.4Confident108 Ų108116.3 Ų116.357%0.56563%0.631SS**Hα-helixtrans-65.8-35.9177.9-75170000112.4L692 L693 T698 F699L692-L696 HydrophobicContact CD1-CD1 4.4Å; L692-L696 HydrophobicContact CG-CD1 4Å; L692-L696 WeakPolarHBondContact O-CB 3.41Å; L692-L696 WeakPolarHBondContact O-CG 3.44Å; L692-L696 PolarHBondContact O-N 2.82Å; L693-L696 PolarHBondContact O-N 3.48Å; L696-T698 VanDerWaalsContact C-N 3.32Å; L696-F699 PolarHBondContact O-N 3.34Å
697Q80.7Confident71.2Confident170 Ų170116 Ų11679%0.79463%0.632SS**Hα-helixtrans-67.6-31.8175.2-77.7179.3-700112.8L693 A694 F699L693-Q697 WeakPolarHBondContact O-CG 3.32Å; L693-Q697 PolarHBondContact O-N 3.36Å; A694-Q697 PolarHBondContact O-N 2.74Å; Q697-F699 VanDerWaalsContact C-N 3.35Å
698T81.8Confident70Confident119 Ų119115.6 Ų115.673%0.7363%0.633SS**THydrogen-bonded Turntrans-84.5-8.4175.855.20000113.9A694 K695 L696 D700A694-T698 PolarHBondContact O-N 2.69Å; A694-T698 PolarHBondContact O-OG1 2.73Å; K695-T698 PolarHBondContact O-N 2.83Å; K695-T698 PolarHBondContact O-OG1 3.48Å; L696-T698 VanDerWaalsContact C-N 3.32Å; T698-D700 PolarHBondContact O-N 3.25Å
699F78.7Confident68.3Low148 Ų148116.5 Ų116.565%0.64964%0.64SS**  trans-83.1105.1-173.3-159.4-91.9000110.6K695 L696 Q697K695-F699 WeakPolarHBondContact O-CB 3.28Å; K695-F699 PolarHBondContact O-N 3.02Å; K695-F699 VanDerWaalsContact O-N 3.14Å; L696-F699 PolarHBondContact O-N 3.34Å; Q697-F699 VanDerWaalsContact C-N 3.35Å
700D70.1Confident66.8Low98 Ų98116 Ų11652%0.52465%0.645SS.*  trans-88.5118.5175.1-163.521.4000110.6T698 S702 T703T698-D700 PolarHBondContact O-N 3.25Å; D700-S702 PolarHBondContact O-N 3.4Å; D700-S702 PolarHBondContact OD1-OG 3.41Å; D700-S702 PolarHBondContact OD2-OG 2.68Å; D700-T703 PolarHBondContact O-OG1 2.93Å
701L67.6Low65.4Low149 Ų149112.4 Ų112.478%0.7863%0.633SS**G310 helixtrans-67.4-15.9-178.6-89.5126.9000112.7T703L701-T703 VanDerWaalsContact C-N 3.33Å; L701-T703 PolarHBondContact O-N 3.4Å
702S63.2Low63.7Low93 Ų93113.7 Ų113.765%0.6564%0.639SS**G310 helixtrans-72.9-13.6-176.4-0.90000115.8D700D700-S702 PolarHBondContact O-N 3.4Å; D700-S702 PolarHBondContact OD1-OG 3.41Å; D700-S702 PolarHBondContact OD2-OG 2.68Å
703T51.1Low62.1Low109 Ų109118.2 Ų118.267%0.66966%0.655SS**G310 helixtrans-96.421.3-173.2320000115.5D700 L701 T705D700-T703 PolarHBondContact O-OG1 2.93Å; L701-T703 VanDerWaalsContact C-N 3.33Å; L701-T703 PolarHBondContact O-N 3.4Å; T703-T705 VanDerWaalsContact C-N 3.28Å; T703-T705 PolarHBondContact O-N 3.48Å
704S47.5Very low60.5Low107 Ų107117.2 Ų117.275%0.74866%0.66SS**  trans-73.180.4174.651.70000112
705T40.9Very low59Low115 Ų115119.3 Ų119.371%0.70666%0.664SS**  trans-60.8142154.833.80000109.3T703 E707T703-T705 VanDerWaalsContact C-N 3.28Å; T703-T705 PolarHBondContact O-N 3.48Å; T705-E707 VanDerWaalsContact C-N 3.33Å; T705-E707 PolarHBondContact O-N 3.35Å
706P42.9Very low57.4Low118 Ų118120 Ų12077%0.76667%0.667SS**SBendtrans-77.677.7-166.732.2-35.2000111.6
707E47.8Very low55.7Low158 Ų158123.7 Ų123.774%0.73868%0.678SS**  trans-84.2-2.2160.8-70.5-170.6160.700112.1T705 E709 A710T705-E707 VanDerWaalsContact C-N 3.33Å; T705-E707 PolarHBondContact O-N 3.35Å; E707-E709 VanDerWaalsContact C-N 3.26Å; E707-E709 PolarHBondContact O-N 3.3Å; E707-A710 PolarHBondContact O-N 3.06Å
708S51.1Low54.3Low90 Ų90121.2 Ų121.263%0.62967%0.667SS**Hα-helixtrans-61.4-23.5-177.5-175.60000114.7
709E46.6Very low52.8Low157 Ų157122.6 Ų122.673%0.73466%0.663SS**Hα-helixtrans-88.3-19-178.1-68.7-170.8167.300113.8E707E707-E709 VanDerWaalsContact C-N 3.26Å; E707-E709 PolarHBondContact O-N 3.3Å
710A48.8Very low51.3Low79 Ų79120.9 Ų120.965%0.65366%0.66SS**Hα-helixtrans-83.7-35.217800000112.2E707 E712 K713E707-A710 PolarHBondContact O-N 3.06Å; A710-E712 PolarHBondContact O-N 2.72Å; A710-K713 PolarHBondContact O-N 3.24Å
711A52.1Low50.2Low55 Ų55123.3 Ų123.346%0.45567%0.668SS.*Hα-helixtrans-70.5-28.7178.200000113K713 A714 N715A711-K713 VanDerWaalsContact C-N 3.28Å; A711-K713 PolarHBondContact O-N 2.95Å; A711-A714 PolarHBondContact O-N 3.26Å; A711-N715 PolarHBondContact O-N 3.06Å; A711-N715 VanDerWaalsContact O-N 3.12Å
712E49.5Very low49.5Very low138 Ų138121.4 Ų121.465%0.64566%0.658SS**Hα-helixtrans-68-24.7177.4-96.4-169.8149.800113.8A710A710-E712 PolarHBondContact O-N 2.72Å
713K48.8Very low48.8Very low179 Ų179124.1 Ų124.178%0.77866%0.66SS**Hα-helixtrans-86-27.9176.3-72.7-179.3-178.91710113.1A710 A711A710-K713 PolarHBondContact O-N 3.24Å; A711-K713 VanDerWaalsContact C-N 3.28Å; A711-K713 PolarHBondContact O-N 2.95Å
714A51Low48.7Very low66 Ų66129.4 Ų129.455%0.54567%0.668SS.*Hα-helixtrans-74-38.9174.100000112A711 K716 K717A711-A714 PolarHBondContact O-N 3.26Å; A714-K716 PolarHBondContact O-N 3.4Å; A714-K716 VanDerWaalsContact O-N 3.15Å; A714-K717 PolarHBondContact O-N 3.2Å; A714-K717 VanDerWaalsContact O-N 3.12Å
715N52.6Low48.6Very low96 Ų96132.5 Ų132.551%0.51367%0.671SS.*Hα-helixtrans-66.7-17-179-103.1-32.4000114.8A711 K717 K719A711-N715 PolarHBondContact O-N 3.06Å; A711-N715 VanDerWaalsContact O-N 3.12Å; N715-K717 VanDerWaalsContact C-N 3.35Å; N715-K719 WeakPolarHBondContact O-CB 3.32Å; N715-K719 PolarHBondContact O-N 3.21Å
716K49.2Very low48.4Very low168 Ų168132.2 Ų132.273%0.7367%0.669SS**Hα-helixtrans-76-19.8174.7-87-179.7177.11730113.7A714A714-K716 PolarHBondContact O-N 3.4Å; A714-K716 VanDerWaalsContact O-N 3.15Å
717K47.8Very low47.9Very low185 Ų185131.1 Ų131.180%0.80467%0.67SS**Hα-helixtrans-87.5-33.7178.4-117.7178.3177.7-177.80112.5A714 N715A714-K717 PolarHBondContact O-N 3.2Å; A714-K717 VanDerWaalsContact O-N 3.12Å; N715-K717 VanDerWaalsContact C-N 3.35Å
718E51.3Low47.1Very low119 Ų119134.2 Ų134.256%0.55668%0.676SS**Hα-helixtrans-85.4-25.5-177.1-151.4166.7-169.600113.2N720 E721 I722E718-N720 PolarHBondContact O-N 3.1Å; E718-N720 VanDerWaalsContact O-N 3.15Å; E718-E721 PolarHBondContact O-N 2.84Å; E718-E721 VanDerWaalsContact O-N 3.11Å; E718-I722 HydrophobicContact CG-CD1 4.33Å; E718-I722 PolarHBondContact O-N 3.38Å
719K49.8Very low46.4Very low147 Ų147136.1 Ų136.164%0.63969%0.686SS**Hα-helixtrans-58.8-26.5174.1-107.4179.3174.5175.70114.2N715N715-K719 WeakPolarHBondContact O-CB 3.32Å; N715-K719 PolarHBondContact O-N 3.21Å
720N47Very low45.6Very low113 Ų113133.2 Ų133.260%0.60469%0.69SS**Hα-helixtrans-82.5-12.8-179.4-73.4-16.4000113.6E718E718-N720 PolarHBondContact O-N 3.1Å; E718-N720 VanDerWaalsContact O-N 3.15Å
721E48.8Very low44.7Very low148 Ų148141 Ų14169%0.69270%0.702SS**Hα-helixtrans-101.1-33.8-176.5-149.9149.1-152.500111.8E718 R724E718-E721 PolarHBondContact O-N 2.84Å; E718-E721 VanDerWaalsContact O-N 3.11Å; E721-R724 PolarHBondContact O-N 3.34Å
722I51.2Low43.7Very low109 Ų109142.6 Ų142.656%0.55972%0.715SS**Hα-helixtrans-75.2-25.8177.1-60.7173.7000112.1E718 R724 Q725E718-I722 HydrophobicContact CG-CD1 4.33Å; E718-I722 PolarHBondContact O-N 3.38Å; I722-R724 PolarHBondContact O-N 2.88Å; I722-Q725 PolarHBondContact O-N 2.85Å
723Q49.2Very low42.9Very low151 Ų151140.6 Ų140.671%0.70672%0.717SS**THydrogen-bonded Turntrans-70.1-9175-102.7170.2-14.500114.6
724R48.4Very low42Very low219 Ų219140.9 Ų140.983%0.82672%0.72SS**THydrogen-bonded Turntrans-91.8-9.8177.3-71.9-175.2178.9-175.8-0.2114.6E721 I722E721-R724 PolarHBondContact O-N 3.34Å; I722-R724 PolarHBondContact O-N 2.88Å
725Q46.4Very low40.9Very low173 Ų173149.7 Ų149.781%0.80874%0.74SS**SBendtrans-111.4-0.2-173.4-70.1-176.3-4.600115I722I722-Q725 PolarHBondContact O-N 2.85Å
726T36Very low39.9Very low109 Ų109154.1 Ų154.167%0.66976%0.757SS**  trans-129.166.5179.348.60000111.6
727A33.4Very low38.8Very low95 Ų95152.3 Ų152.379%0.78576%0.76SS**  trans-96.985.5168.300000109.8
728Y30.2Very low38Very low223 Ų223149.7 Ų149.788%0.87576%0.759SS**  trans-93.1127.7153.3-85.1-82.3000107.9A730Y728-A730 PolarHBondContact O-N 2.86Å
729P35.5Very low36.8Very low129 Ų129154.8 Ų154.884%0.83878%0.775SS**  trans-77.9107.3-178.229-29.7000110.3
730A30.2Very low35.8Very low97 Ų97150.9 Ų150.980%0.80278%0.776SS**  trans-89.3110.3161.100000109.2Y728Y728-A730 PolarHBondContact O-N 2.86Å
731R31.4Very low35.2Very low242 Ų242151.9 Ų151.991%0.91379%0.792SS**  trans-92.6106.2151.8-81.9178.4168.9165.6-3.6105
732A30.4Very low34.3Very low88 Ų88154 Ų15473%0.72780%0.802SS**  48.9122.481.400000110.6
733S32.2Very low33.5Very low97 Ų97153.9 Ų153.968%0.67881%0.809SS**  cis-175.214721.241.80000108.3
734E29.8Very low32.6Very low184 Ų184153.5 Ų153.586%0.8682%0.817SS**  trans43.4107.8140.4-62.5169.1175.500119.4
735R29.3Very low31.7Very low251 Ų251148.2 Ų148.295%0.94781%0.814SS**  trans-143.7127.5137.8-75.4-162.6176.9163-1111
736E30.5Very low30.8Very low189 Ų189147.9 Ų147.988%0.88382%0.817SS**  trans-58.7148.4177.8-71.1170.9132.100113.1
737V26.5Very low30.5Very low131 Ų131147.9 Ų147.979%0.79482%0.818SS**  trans-86.5116.2170.2175.30000108.3Y739V737-Y739 HydrophobicContact CG1-CD2 4.46Å
738V31.1Very low30.2Very low130 Ų130150.4 Ų150.479%0.78882%0.823SS**  trans-119123.5163.4177.60000108.4
739Y26.5Very low30.2Very low225 Ų225144.5 Ų144.588%0.88282%0.815SS**  trans-75.2137.3173.9-105.8-101000110.6V737V737-Y739 HydrophobicContact CG1-CD2 4.46Å
740G28.8Very low29.7Very low65 Ų65150 Ų15067%0.6782%0.819SS**  trans123.9129151.900000116.2
741S32.8Very low29.7Very low134 Ų134152 Ų15294%0.93782%0.821SS**  trans99.5116.4158.6-35.40000117.1
742Q30.6Very low29.7Very low192 Ų192145.9 Ų145.990%0.89781%0.81SS**  trans-77.3-178.5-175.9-126.4-175.25.800112.5
743P34.1Very low29.6Very low107 Ų107150.9 Ų150.970%0.69582%0.818SS**  -124.7166.2-10940.3-23.6000114.7
744T31.2Very low29.6Very low144 Ų144154 Ų15488%0.88382%0.823SS**  trans-150.4133.7152.338.50000112.1
745S28.3Very low29.6Very low108 Ų108152.5 Ų152.576%0.75582%0.82SS**  trans-32.4143.6177.153.50000119.1
746L29Very low29.8Very low166 Ų166148 Ų14887%0.86982%0.815SS**  trans-169.4155.6132.8-93.4170.7000108.9
747P28.6Very low30.1Very low109 Ų109148.2 Ų148.271%0.70882%0.816SS**  trans-86.1147.2-145.733.3-35.5000115.5S749P747-S749 PolarHBondContact O-N 2.99Å
748V27.7Very low30.6Very low147 Ų147151.5 Ų151.589%0.89182%0.82SS**  trans-80.9109.1174.3177.10000110.1
749S29.8Very low30.6Very low100 Ų100152.4 Ų152.470%0.69982%0.819SS**  trans-71.3140.6167.9-45.40000110.9P747 V751P747-S749 PolarHBondContact O-N 2.99Å; S749-V751 PolarHBondContact O-N 3.26Å
750R26Very low30.7Very low245 Ų245148.3 Ų148.393%0.92581%0.81SS**  trans-45.5120.4175.2-72.8172.3173.1165.5-3.5112.6
751V29.5Very low31Very low137 Ų137152.3 Ų152.383%0.8382%0.821SS**  trans-85.6117.4158.8178.80000106.9S749S749-V751 PolarHBondContact O-N 3.26Å
752V31.1Very low31.3Very low114 Ų114154.6 Ų154.669%0.69181%0.81SS**  trans-71.2119.1171174.80000107.3Q754V752-Q754 HydrophobicContact CG1-CG 4.38Å; V752-Q754 PolarHBondContact O-N 2.97Å
753E28.7Very low31.9Very low193 Ų193150.2 Ų150.290%0.90280%0.801SS**  trans-67.6107.5167.5-71.9179.7160.900108.1
754Q32.1Very low32.5Very low164 Ų164146.3 Ų146.377%0.76678%0.776SS**  trans-96113.7168.6-82.2-176.1-51.600109.1V752V752-Q754 HydrophobicContact CG1-CG 4.38Å; V752-Q754 PolarHBondContact O-N 2.97Å
755D28.8Very low33.3Very low152 Ų152144 Ų14481%0.81376%0.763SS**  trans36.878.7146-58.4-20000118.9E757D755-E757 VanDerWaalsContact C-N 3.32Å
756D34.1Very low34.4Very low156 Ų156141.7 Ų141.783%0.83475%0.751SS**  trans-87.813.6165.1-85.9-28.8000113.7K758D756-K758 PolarHBondContact O-N 3.29Å
757E36.9Very low35.6Very low194 Ų194142.2 Ų142.291%0.90775%0.748SS**THydrogen-bonded Turntrans-70.25.5-176.8-98.2-167.5165.300115.7D755D755-E757 VanDerWaalsContact C-N 3.32Å
758K36.5Very low37Very low200 Ų200139.1 Ų139.187%0.8773%0.726SS**THydrogen-bonded Turntrans-120.13.8-174.7-101.1178.8-179.3174.80117.4D756D756-K758 PolarHBondContact O-N 3.29Å
759L30.9Very low38.5Very low148 Ų148136.3 Ų136.378%0.77571%0.705SS**SBendtrans-122.2130.6174.7-114.481.6000111.3
760M29.9Very low39.3Very low140 Ų140133.2 Ų133.269%0.6968%0.678SS**  trans89.361.2176.8-52.1-75.4-178.600116.8Y762M760-Y762 VanDerWaalsContact C-N 3.33Å; M760-Y762 HydrophobicContact CB-CD2 4.2Å; M760-Y762 HydrophobicContact CB-CE2 4.31Å; M760-Y762 HydrophobicContact CG-CE2 4.38Å; M760-Y762 PolarHBondContact O-N 3.14Å; M760-Y762 HydrophobicContact SD-CD2 4.17Å; M760-Y762 HydrophobicContact SD-CE2 3.37Å; M760-Y762 WeakPolarHBondContact SD-CE2 3.14Å
761V34.8Very low40.8Very low149 Ų149124 Ų12490%0.90365%0.647SS**  trans-79.285.6154.1-177.10000108.2
762Y38.6Very low42.1Very low181 Ų181123.7 Ų123.771%0.7163%0.631SS**PPolyproline II helixtrans-76.3128.6160.9-80.2-80.7000108.6M760M760-Y762 VanDerWaalsContact C-N 3.33Å; M760-Y762 HydrophobicContact CB-CD2 4.2Å; M760-Y762 HydrophobicContact CB-CE2 4.31Å; M760-Y762 HydrophobicContact CG-CE2 4.38Å; M760-Y762 PolarHBondContact O-N 3.14Å; M760-Y762 HydrophobicContact SD-CD2 4.17Å; M760-Y762 HydrophobicContact SD-CE2 3.37Å; M760-Y762 WeakPolarHBondContact SD-CE2 3.14Å
763S44.3Very low43.2Very low100 Ų100125.4 Ų125.470%0.69963%0.625SS**PPolyproline II helixtrans-60.1138.5167.146.70000109.2
764P45.6Very low44.4Very low26 Ų26120 Ų12017%0.16960%0.596CS.*PPolyproline II helixtrans-57.9147.9177.1-19.829000110.8A766 D768 L771P764-A766 PolarHBondContact O-N 3.37Å; P764-D768 HydrophobicContact CB-CB 4.36Å; P764-L771 HydrophobicContact CB-CB 3.88Å; P764-L771 HydrophobicContact CB-CD1 4.07Å; P764-L771 HydrophobicContact CG-CB 3.95Å
765P49.3Very low45.4Very low94 Ų94117.8 Ų117.861%0.6159%0.586SS**PPolyproline II helixtrans-47.6141.1170.3-25.933.7000110.8H767 D768P765-H767 PolarHBondContact O-N 2.9Å; P765-D768 HydrophobicContact CB-CB 4.45Å; P765-D768 PolarHBondContact O-N 3.32Å
766A50.9Low46.6Very low61 Ų61119.3 Ų119.350%0.50459%0.585SS.*THydrogen-bonded Turntrans-56.3-16.5-168.300000115.3P764 R772P764-A766 PolarHBondContact O-N 3.37Å; A766-R772 VanDerWaalsContact O-CZ 3.32Å; A766-R772 PolarHBondContact O-NH1 2.89Å; A766-R772 PolarHBondContact O-NH2 3.18Å
767H53Low47.2Very low176 Ų176119.3 Ų119.382%0.81558%0.578SS**THydrogen-bonded Turntrans-113.67.1179.9-59.5-51000114.6P765 I769P765-H767 PolarHBondContact O-N 2.9Å; H767-I769 PolarHBondContact O-N 3.28Å
768D58.9Low47.1Very low44 Ų44119.1 Ų119.124%0.23558%0.582CS.*  trans-8186.1173.3-165.5-26.4000110.9P764 P765 Y770 L771 R772P764-D768 HydrophobicContact CB-CB 4.36Å; P765-D768 HydrophobicContact CB-CB 4.45Å; P765-D768 PolarHBondContact O-N 3.32Å; D768-Y770 PolarHBondContact O-N 3.4Å; D768-Y770 WeakPolarHBondContact OD1-CB 3.27Å; D768-Y770 PolarHBondContact OD1-N 3.36Å; D768-L771 HydrophobicContact CB-CB 4.47Å; D768-L771 PolarHBondContact OD1-N 2.92Å; D768-L771 WeakPolarHBondContact OD2-CD1 3.19Å; D768-L771 WeakPolarHBondContact OD2-CG 3.2Å; D768-R772 PolarHBondContact O-N 2.99Å
769I59.2Low47.6Very low88 Ų88115.1 Ų115.145%0.45157%0.568SS.*Hα-helixtrans-65.5-29177.9-59.5170.6000111H767 R773H767-I769 PolarHBondContact O-N 3.28Å; I769-R773 HydrophobicContact CG2-CG 4.32Å; I769-R773 WeakPolarHBondContact O-CB 3.39Å; I769-R773 WeakPolarHBondContact O-CG 3.49Å; I769-R773 PolarHBondContact O-N 2.96Å
770Y46.9Very low48.5Very low35 Ų35113.4 Ų113.414%0.13756%0.557CS.*Hα-helixtrans-68.6-52.7-177.8169.8-93.9000110.9T476 I540 D768 R772 R773 R774T476-Y770 HydrophobicContact CG2-CD2 4.28Å; T476-Y770 HydrophobicContact CG2-CE2 3.79Å; I540-Y770 HydrophobicContact CG2-CD2 4.19Å; I540-Y770 HydrophobicContact CG2-CG 4.2Å; D768-Y770 PolarHBondContact O-N 3.4Å; D768-Y770 WeakPolarHBondContact OD1-CB 3.27Å; D768-Y770 PolarHBondContact OD1-N 3.36Å; Y770-R772 VanDerWaalsContact C-N 3.35Å; Y770-R772 PolarHBondContact O-N 3.15Å; Y770-R773 PolarHBondContact O-N 2.74Å; Y770-R774 PolarHBondContact O-N 2.88Å
771L58.1Low49.5Very low53 Ų53111.9 Ų111.928%0.27755%0.549SS..Hα-helixtrans-62.9-40.5176.8-76.1177.4000111.8P764 D768 R773 R774 Q775P764-L771 HydrophobicContact CB-CB 3.88Å; P764-L771 HydrophobicContact CB-CD1 4.07Å; P764-L771 HydrophobicContact CG-CB 3.95Å; D768-L771 HydrophobicContact CB-CB 4.47Å; D768-L771 PolarHBondContact OD1-N 2.92Å; D768-L771 WeakPolarHBondContact OD2-CD1 3.19Å; D768-L771 WeakPolarHBondContact OD2-CG 3.2Å; L771-R773 VanDerWaalsContact C-N 3.34Å; L771-R773 PolarHBondContact O-N 3.4Å; L771-R774 PolarHBondContact O-N 3.29Å; L771-Q775 WeakPolarHBondContact O-CG 3.12Å; L771-Q775 PolarHBondContact O-N 2.99Å
772R55.9Low50.4Low129 Ų129109.7 Ų109.749%0.48753%0.529SS..Hα-helixtrans-60.3-38.5175.2-87.1-175.5177.1154.64.3113.4A766 D768 Y770 K776A766-R772 VanDerWaalsContact O-CZ 3.32Å; A766-R772 PolarHBondContact O-NH1 2.89Å; A766-R772 PolarHBondContact O-NH2 3.18Å; D768-R772 PolarHBondContact O-N 2.99Å; Y770-R772 VanDerWaalsContact C-N 3.35Å; Y770-R772 PolarHBondContact O-N 3.15Å; R772-K776 PolarHBondContact O-N 3.42Å
773R54.9Low51.1Low150 Ų150105.3 Ų105.357%0.56652%0.517SS*.Hα-helixtrans-77.7-33179.1-75.7-179.2179.5-178.11.5112.4I769 Y770 L771 K776 K777I769-R773 HydrophobicContact CG2-CG 4.32Å; I769-R773 WeakPolarHBondContact O-CB 3.39Å; I769-R773 WeakPolarHBondContact O-CG 3.49Å; I769-R773 PolarHBondContact O-N 2.96Å; Y770-R773 PolarHBondContact O-N 2.74Å; L771-R773 VanDerWaalsContact C-N 3.34Å; L771-R773 PolarHBondContact O-N 3.4Å; R773-K776 PolarHBondContact O-N 3.39Å; R773-K777 PolarHBondContact O-N 3.39Å
774R54Low51.6Low81 Ų81105.6 Ų105.631%0.30651%0.505SS..Hα-helixtrans-65.5-40.5174.1-174.4174.4163.7-174.8-9.9111.7Y770 L771 K776 K777 L778Y770-R774 PolarHBondContact O-N 2.88Å; L771-R774 PolarHBondContact O-N 3.29Å; R774-K776 VanDerWaalsContact C-N 3.26Å; R774-K776 PolarHBondContact O-N 3.32Å; R774-K777 PolarHBondContact O-N 3.16Å; R774-L778 PolarHBondContact O-N 3.21Å
775Q53.3Low52Low116 Ų116111.3 Ų111.354%0.54253%0.529SS..Hα-helixtrans-68.4-19.9173.6-73.5178-15.100114L771L771-Q775 WeakPolarHBondContact O-CG 3.12Å; L771-Q775 PolarHBondContact O-N 2.99Å
776K54.1Low52.2Low185 Ų185112.6 Ų112.680%0.80452%0.523SS*.THydrogen-bonded Turntrans-86.7-9.7174.8-79.7-174.5174.8-172.50114.2R772 R773 R774R772-K776 PolarHBondContact O-N 3.42Å; R773-K776 PolarHBondContact O-N 3.39Å; R774-K776 VanDerWaalsContact C-N 3.26Å; R774-K776 PolarHBondContact O-N 3.32Å
777K45Very low52.3Low155 Ų155116.9 Ų116.967%0.67453%0.525SS*.THydrogen-bonded Turntrans-107.5-9.1179.7-82.3-172.1174.8-176.70113.4R773 R774R773-K777 PolarHBondContact O-N 3.39Å; R774-K777 PolarHBondContact O-N 3.16Å
778L34.9Very low52.3Low191 Ų191111.5 Ų111.5100%150%0.498SS*.  trans-93.10160.7-72.3162.8000107.4R774R774-L778 PolarHBondContact O-N 3.21Å

Retrieved 778 of 778 residues in 601.2 ms (Link to these results)

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