A0A077YW46_TRITR Loading...

Plastin 3

AlphaFold DB , UniProt , Accession A0A077YW46, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 602 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
1M65.3Low70.1Confident94 Ų9478.5 Ų78.546%0.46340%0.403SS..  0-65.20-70.2-49.9-58.600113.8E3 L4 Q5 V20 R21 I24M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 2.99Å; M1-L4 PolarHBondContact O-N 2.88Å; M1-L4 VanDerWaalsContact O-N 3.16Å; M1-Q5 PolarHBondContact O-N 3.18Å; M1-V20 HydrophobicContact CE-CB 3.63Å; M1-V20 HydrophobicContact CE-CG1 3.46Å; M1-V20 VanDerWaalsContact CE-CG1 3.46Å; M1-V20 HydrophobicContact SD-CG1 4.41Å; M1-R21 HydrophobicContact CE-CB 4.45Å; M1-R21 HydrophobicContact CE-CG 3.54Å; M1-R21 HydrophobicContact SD-CG 3.88Å; M1-I24 HydrophobicContact CE-CD1 4.5Å; M1-I24 HydrophobicContact SD-CD1 3.73Å
2S67.1Low69.7Low74 Ų7476.3 Ų76.352%0.51741%0.414SS..Hα-helixtrans-61.2-37.5-178.257.40000113.4Q5 R6S2-Q5 PolarHBondContact O-N 3.37Å; S2-R6 WeakPolarHBondContact O-CB 3.34Å; S2-R6 PolarHBondContact O-N 2.67Å
3E69.5Low69.6Low152 Ų15270.8 Ų70.871%0.7139%0.385SS*.Hα-helixtrans-65.1-39.5175.6-73173.3178.400112.1M1 R6 A7M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 2.99Å; E3-R6 CarbonylContact O-C 3.32Å; E3-R6 PolarHBondContact O-N 3.05Å; E3-A7 WeakPolarHBondContact O-CB 3.26Å; E3-A7 PolarHBondContact O-N 2.85Å
4L72.6Confident69.8Low23 Ų2378.3 Ų78.312%0.1241%0.412CS..Hα-helixtrans-69.5-40.2177.5-150.181.8000111.8M1 R6 A7 F8 V20 I24 L37 F42M1-L4 PolarHBondContact O-N 2.88Å; M1-L4 VanDerWaalsContact O-N 3.16Å; L4-R6 VanDerWaalsContact C-N 3.32Å; L4-R6 PolarHBondContact O-N 3.31Å; L4-A7 PolarHBondContact O-N 2.58Å; L4-F8 HydrophobicContact CD2-CD2 4.41Å; L4-F8 HydrophobicContact CD2-CE2 3.7Å; L4-F8 HydrophobicContact CD2-CZ 4.5Å; L4-F8 HydrophobicContact CG-CD2 4.22Å; L4-F8 HydrophobicContact CG-CE2 3.89Å; L4-F8 WeakPolarHBondContact O-CB 3.37Å; L4-F8 WeakPolarHBondContact O-CD2 3.3Å; L4-F8 PolarHBondContact O-N 2.98Å; L4-V20 HydrophobicContact CB-CG1 4.44Å; L4-V20 HydrophobicContact CD2-CG1 3.68Å; L4-I24 HydrophobicContact CD2-CD1 3.79Å; L4-I24 HydrophobicContact CD2-CG1 4.15Å; L4-L37 HydrophobicContact CD1-CB 4Å; L4-L37 HydrophobicContact CD1-CD1 3.42Å; L4-L37 VanDerWaalsContact CD1-CD1 3.42Å; L4-L37 HydrophobicContact CD1-CG 4.33Å; L4-L37 HydrophobicContact CD2-CD1 3.37Å; L4-L37 HydrophobicContact CG-CD1 4.04Å; L4-F42 HydrophobicContact CD1-CD2 3.87Å; L4-F42 HydrophobicContact CD1-CE2 4.43Å; L4-F42 HydrophobicContact CG-CD2 4.35Å
5Q71.5Confident69.9Low36 Ų3674.7 Ų74.717%0.16839%0.393CS..Hα-helixtrans-58.7-46.1170.8-81.6-176-69.200111M1 S2 A7 F8 E9 L15 S17 V20M1-Q5 PolarHBondContact O-N 3.18Å; S2-Q5 PolarHBondContact O-N 3.37Å; Q5-A7 VanDerWaalsContact C-N 3.33Å; Q5-A7 PolarHBondContact O-N 3.28Å; Q5-F8 PolarHBondContact O-N 3.41Å; Q5-E9 WeakPolarHBondContact O-CB 3.44Å; Q5-E9 VanDerWaalsContact O-CG 3.29Å; Q5-E9 WeakPolarHBondContact O-CG 3.37Å; Q5-E9 PolarHBondContact O-N 3.36Å; Q5-L15 PolarHBondContact NE2-O 3.15Å; Q5-S17 VanDerWaalsContact CD-OG 3.23Å; Q5-S17 PolarHBondContact NE2-OG 2.66Å; Q5-S17 PolarHBondContact OE1-OG 3.26Å; Q5-V20 HydrophobicContact CG-CG2 3.81Å
6R72.1Confident70.2Confident185 Ų18573.5 Ų73.570%0.69839%0.391SS*.Hα-helixtrans-65-36.5177.4-167.1174.9170.2178.9-2.8112S2 E3 L4 E9 T10S2-R6 WeakPolarHBondContact O-CB 3.34Å; S2-R6 PolarHBondContact O-N 2.67Å; E3-R6 CarbonylContact O-C 3.32Å; E3-R6 PolarHBondContact O-N 3.05Å; L4-R6 VanDerWaalsContact C-N 3.32Å; L4-R6 PolarHBondContact O-N 3.31Å; R6-E9 PolarHBondContact O-N 2.87Å; R6-T10 WeakPolarHBondContact O-CB 3.44Å; R6-T10 PolarHBondContact O-N 2.79Å; R6-T10 PolarHBondContact O-OG1 2.89Å
7A73.8Confident70.3Confident33 Ų3372.2 Ų72.227%0.27339%0.389SS..Hα-helixtrans-63.5-46.4173.900000111.1E3 L4 Q5 T10 V11 F42E3-A7 WeakPolarHBondContact O-CB 3.26Å; E3-A7 PolarHBondContact O-N 2.85Å; L4-A7 PolarHBondContact O-N 2.58Å; Q5-A7 VanDerWaalsContact C-N 3.33Å; Q5-A7 PolarHBondContact O-N 3.28Å; A7-T10 WeakPolarHBondContact O-CB 3.2Å; A7-T10 PolarHBondContact O-N 3.06Å; A7-V11 WeakPolarHBondContact O-CG2 3.31Å; A7-V11 PolarHBondContact O-N 3.37Å; A7-F42 HydrophobicContact CB-CD2 4.42Å; A7-F42 HydrophobicContact CB-CE2 3.69Å; A7-F42 HydrophobicContact CB-CZ 3.78Å
8F73.7Confident70.5Confident1 Ų175.1 Ų75.10%0.00439%0.394CS..Hα-helixtrans-60.3-43.9172.7-79.3-51.1000112.1L4 Q5 T10 V11 G12 I13 L15 V20 F42 L45 L49L4-F8 HydrophobicContact CD2-CD2 4.41Å; L4-F8 HydrophobicContact CD2-CE2 3.7Å; L4-F8 HydrophobicContact CD2-CZ 4.5Å; L4-F8 HydrophobicContact CG-CD2 4.22Å; L4-F8 HydrophobicContact CG-CE2 3.89Å; L4-F8 WeakPolarHBondContact O-CB 3.37Å; L4-F8 WeakPolarHBondContact O-CD2 3.3Å; L4-F8 PolarHBondContact O-N 2.98Å; Q5-F8 PolarHBondContact O-N 3.41Å; F8-T10 VanDerWaalsContact C-N 3.29Å; F8-T10 PolarHBondContact O-N 2.74Å; F8-V11 HydrophobicContact CD1-CG2 4.48Å; F8-V11 CarbonylContact O-C 3.53Å; F8-V11 WeakPolarHBondContact O-CG2 3.48Å; F8-V11 PolarHBondContact O-N 3.31Å; F8-V11 VanDerWaalsContact O-N 3.11Å; F8-G12 PolarHBondContact O-N 3.34Å; F8-G12 VanDerWaalsContact O-N 3.13Å; F8-I13 CarbonylContact C-O 3.25Å; F8-I13 HydrophobicContact CB-CB 4.06Å; F8-I13 WeakPolarHBondContact CB-O 3.26Å; F8-I13 HydrophobicContact CD1-CB 4.37Å; F8-I13 HydrophobicContact CD1-CD1 3.96Å; F8-I13 HydrophobicContact CE1-CD1 4.49Å; F8-I13 WeakPolarHBondContact O-CA 3.38Å; F8-I13 PolarHBondContact O-N 3.1Å; F8-L15 HydrophobicContact CD2-CD1 4.18Å; F8-L15 HydrophobicContact CE2-CD1 4.34Å; F8-L15 HydrophobicContact CG-CD1 4.42Å; F8-V20 HydrophobicContact CD2-CG2 4.44Å; F8-V20 HydrophobicContact CE2-CG1 4.35Å; F8-F42 AromaticContact CD1-CE2 3.68Å; F8-F42 HydrophobicContact CD1-CE2 3.68Å; F8-F42 AromaticContact CD1-CZ 3.91Å; F8-F42 HydrophobicContact CD1-CZ 3.91Å; F8-F42 HydrophobicContact CD2-CE2 4.28Å; F8-F42 HydrophobicContact CE1-CD2 4.28Å; F8-F42 AromaticContact CE1-CE2 3.57Å; F8-F42 HydrophobicContact CE1-CE2 3.57Å; F8-F42 HydrophobicContact CE1-CZ 4.04Å; F8-F42 HydrophobicContact CE2-CE2 4.2Å; F8-F42 HydrophobicContact CG-CE2 4.03Å; F8-F42 HydrophobicContact CG-CZ 4.46Å; F8-F42 HydrophobicContact CZ-CD2 4.26Å; F8-F42 AromaticContact CZ-CE2 3.85Å; F8-F42 HydrophobicContact CZ-CE2 3.85Å; F8-L45 HydrophobicContact CZ-CB 4.11Å; F8-L49 HydrophobicContact CD1-CD1 4.01Å; F8-L49 HydrophobicContact CE1-CD1 3.36Å; F8-L49 HydrophobicContact CZ-CD1 3.67Å
9E71.3Confident70.6Confident97 Ų9774.9 Ų74.945%0.45339%0.391SS..Hα-helixtrans-62-37.5175.8-76.4175.2173.300112.1Q5 R6 V11 G12 I13 K14Q5-E9 WeakPolarHBondContact O-CB 3.44Å; Q5-E9 VanDerWaalsContact O-CG 3.29Å; Q5-E9 WeakPolarHBondContact O-CG 3.37Å; Q5-E9 PolarHBondContact O-N 3.36Å; R6-E9 PolarHBondContact O-N 2.87Å; E9-V11 PolarHBondContact O-N 2.75Å; E9-G12 PolarHBondContact O-N 2.95Å; E9-I13 WeakPolarHBondContact CA-O 3.36Å; E9-I13 PolarHBondContact N-O 3.46Å; E9-I13 VanDerWaalsContact N-O 3.14Å; E9-K14 HydrophobicContact CG-CG 4.05Å
10T65.8Low70.7Confident114 Ų11471.2 Ų71.270%0.69937%0.372SS*.Hα-helixtrans-63.4-31.5177-55.20000111.3R6 A7 F8R6-T10 WeakPolarHBondContact O-CB 3.44Å; R6-T10 PolarHBondContact O-N 2.79Å; R6-T10 PolarHBondContact O-OG1 2.89Å; A7-T10 WeakPolarHBondContact O-CB 3.2Å; A7-T10 PolarHBondContact O-N 3.06Å; F8-T10 VanDerWaalsContact C-N 3.29Å; F8-T10 PolarHBondContact O-N 2.74Å
11V68.5Low70.9Confident54 Ų5474.1 Ų74.133%0.32738%0.378SS..THydrogen-bonded Turntrans-96.316.3173.7-58.90000113.4A7 F8 E9 I13 F42 F46A7-V11 WeakPolarHBondContact O-CG2 3.31Å; A7-V11 PolarHBondContact O-N 3.37Å; F8-V11 HydrophobicContact CD1-CG2 4.48Å; F8-V11 CarbonylContact O-C 3.53Å; F8-V11 WeakPolarHBondContact O-CG2 3.48Å; F8-V11 PolarHBondContact O-N 3.31Å; F8-V11 VanDerWaalsContact O-N 3.11Å; E9-V11 PolarHBondContact O-N 2.75Å; V11-I13 HydrophobicContact CG2-CD1 4.26Å; V11-I13 HydrophobicContact CG2-CG1 4.18Å; V11-F42 HydrophobicContact CG2-CZ 4.21Å; V11-F46 HydrophobicContact CB-CD2 4.22Å; V11-F46 HydrophobicContact CB-CE2 3.63Å; V11-F46 HydrophobicContact CB-CZ 4.23Å; V11-F46 HydrophobicContact CG1-CE2 4.47Å; V11-F46 HydrophobicContact CG2-CD2 3.52Å; V11-F46 HydrophobicContact CG2-CE2 3.35Å; V11-F46 HydrophobicContact CG2-CZ 4.38Å
12G64.8Low71.4Confident52 Ų5273.1 Ų73.154%0.53638%0.375SS..THydrogen-bonded Turntrans86.27.517200000116.1F8 E9F8-G12 PolarHBondContact O-N 3.34Å; F8-G12 VanDerWaalsContact O-N 3.13Å; E9-G12 PolarHBondContact O-N 2.95Å
13I68.6Low71.7Confident6 Ų670.8 Ų70.83%0.03136%0.356CS..  trans-104.3111.2-178.1-45.2-177000110.1F8 E9 V11 L15 F46 L49 F57F8-I13 CarbonylContact C-O 3.25Å; F8-I13 HydrophobicContact CB-CB 4.06Å; F8-I13 WeakPolarHBondContact CB-O 3.26Å; F8-I13 HydrophobicContact CD1-CB 4.37Å; F8-I13 HydrophobicContact CD1-CD1 3.96Å; F8-I13 HydrophobicContact CE1-CD1 4.49Å; F8-I13 WeakPolarHBondContact O-CA 3.38Å; F8-I13 PolarHBondContact O-N 3.1Å; E9-I13 WeakPolarHBondContact CA-O 3.36Å; E9-I13 PolarHBondContact N-O 3.46Å; E9-I13 VanDerWaalsContact N-O 3.14Å; V11-I13 HydrophobicContact CG2-CD1 4.26Å; V11-I13 HydrophobicContact CG2-CG1 4.18Å; I13-L15 HydrophobicContact CG2-CD1 4.06Å; I13-L15 HydrophobicContact CG2-CD2 4.18Å; I13-L15 HydrophobicContact CG2-CG 3.72Å; I13-F46 HydrophobicContact CD1-CD2 3.5Å; I13-F46 HydrophobicContact CD1-CE2 3.53Å; I13-F46 HydrophobicContact CG1-CE2 4.18Å; I13-L49 HydrophobicContact CD1-CB 4.25Å; I13-L49 HydrophobicContact CD1-CD1 4.18Å; I13-F57 HydrophobicContact CB-CE2 4.19Å; I13-F57 HydrophobicContact CB-CZ 4.32Å; I13-F57 HydrophobicContact CD1-CE1 4.42Å; I13-F57 HydrophobicContact CD1-CE2 4.21Å; I13-F57 HydrophobicContact CD1-CZ 3.48Å; I13-F57 VanDerWaalsContact CD1-CZ 3.48Å; I13-F57 HydrophobicContact CG1-CE2 3.65Å; I13-F57 HydrophobicContact CG1-CZ 3.43Å; I13-F57 VanDerWaalsContact CG1-CZ 3.43Å; I13-F57 HydrophobicContact CG2-CE2 3.99Å; I13-F57 HydrophobicContact CG2-CZ 4.13Å
14K73.5Confident71.9Confident175 Ų17564.8 Ų64.876%0.76133%0.329SS*.  trans-93.9103.8171-77.1-176.9178.6-176.70110.2E9E9-K14 HydrophobicContact CG-CG 4.05Å
15L70.8Confident72.1Confident24 Ų2471.8 Ų71.813%0.12635%0.353CS..  trans-110.5128.7173.3-65.6173.5000110.4Q5 F8 I13 Q19 V20 L23 L49Q5-L15 PolarHBondContact NE2-O 3.15Å; F8-L15 HydrophobicContact CD2-CD1 4.18Å; F8-L15 HydrophobicContact CE2-CD1 4.34Å; F8-L15 HydrophobicContact CG-CD1 4.42Å; I13-L15 HydrophobicContact CG2-CD1 4.06Å; I13-L15 HydrophobicContact CG2-CD2 4.18Å; I13-L15 HydrophobicContact CG2-CG 3.72Å; L15-Q19 HydrophobicContact CD2-CB 4.49Å; L15-V20 HydrophobicContact CB-CG2 3.41Å; L15-V20 VanDerWaalsContact CB-CG2 3.41Å; L15-V20 HydrophobicContact CD1-CG2 4.04Å; L15-V20 HydrophobicContact CG-CG2 4.38Å; L15-L23 HydrophobicContact CD1-CD1 4.03Å; L15-L49 HydrophobicContact CD1-CD1 3.92Å; L15-L49 HydrophobicContact CD1-CD2 4.4Å
16P74.2Confident72.2Confident56 Ų5677 Ų7736%0.36438%0.378SS..  trans-55.3150165.4-23.433.8000112.1Y18 Q19 V20P16-Y18 HydrophobicContact CB-CD1 3.58Å; P16-Y18 HydrophobicContact CB-CE1 3.41Å; P16-Y18 VanDerWaalsContact CB-CE1 3.41Å; P16-Y18 HydrophobicContact CG-CE1 3.9Å; P16-Y18 PolarHBondContact O-N 2.93Å; P16-Q19 VanDerWaalsContact CD-OE1 3.23Å; P16-Q19 HydrophobicContact CG-CG 4.47Å; P16-Q19 PolarHBondContact O-N 2.71Å; P16-V20 PolarHBondContact O-N 3.19Å
17S72.4Confident72.2Confident52 Ų5270.9 Ų70.936%0.36436%0.357SS..Hα-helixtrans-63.1-20.2-173.3-45.70000113.9Q5 R21Q5-S17 VanDerWaalsContact CD-OG 3.23Å; Q5-S17 PolarHBondContact NE2-OG 2.66Å; Q5-S17 PolarHBondContact OE1-OG 3.26Å; S17-R21 WeakPolarHBondContact O-CG 3.39Å; S17-R21 PolarHBondContact O-N 3.06Å; S17-R21 PolarHBondContact O-NE 3.07Å; S17-R21 VanDerWaalsContact O-NE 3.13Å
18Y73Confident72.4Confident123 Ų12370.5 Ų70.548%0.48235%0.349SS..Hα-helixtrans-75.6-44.817377.5-91000111.6P16 V20 R21 D22P16-Y18 HydrophobicContact CB-CD1 3.58Å; P16-Y18 HydrophobicContact CB-CE1 3.41Å; P16-Y18 VanDerWaalsContact CB-CE1 3.41Å; P16-Y18 HydrophobicContact CG-CE1 3.9Å; P16-Y18 PolarHBondContact O-N 2.93Å; Y18-V20 VanDerWaalsContact C-N 3.29Å; Y18-V20 PolarHBondContact O-N 3.03Å; Y18-R21 WeakPolarHBondContact O-CA 3.39Å; Y18-R21 WeakPolarHBondContact O-CB 3.28Å; Y18-R21 PolarHBondContact O-N 2.8Å; Y18-D22 PolarHBondContact O-N 2.96Å
19Q73.3Confident72.3Confident72 Ų7275 Ų7534%0.33638%0.379SS..Hα-helixtrans-61.8-38.7177.4-65.6-171.5-22.800111.9L15 P16 R21 D22 L23L15-Q19 HydrophobicContact CD2-CB 4.49Å; P16-Q19 VanDerWaalsContact CD-OE1 3.23Å; P16-Q19 HydrophobicContact CG-CG 4.47Å; P16-Q19 PolarHBondContact O-N 2.71Å; Q19-R21 VanDerWaalsContact C-N 3.32Å; Q19-R21 PolarHBondContact O-N 3.31Å; Q19-D22 PolarHBondContact O-N 3.37Å; Q19-L23 WeakPolarHBondContact O-CB 3.36Å; Q19-L23 PolarHBondContact O-N 3.05Å
20V73.5Confident72.3Confident0 Ų078 Ų780%040%0.397CS..Hα-helixtrans-63.8-38.2174.2-177.90000111.4M1 L4 Q5 F8 L15 P16 Y18 I24M1-V20 HydrophobicContact CE-CB 3.63Å; M1-V20 HydrophobicContact CE-CG1 3.46Å; M1-V20 VanDerWaalsContact CE-CG1 3.46Å; M1-V20 HydrophobicContact SD-CG1 4.41Å; L4-V20 HydrophobicContact CB-CG1 4.44Å; L4-V20 HydrophobicContact CD2-CG1 3.68Å; Q5-V20 HydrophobicContact CG-CG2 3.81Å; F8-V20 HydrophobicContact CD2-CG2 4.44Å; F8-V20 HydrophobicContact CE2-CG1 4.35Å; L15-V20 HydrophobicContact CB-CG2 3.41Å; L15-V20 VanDerWaalsContact CB-CG2 3.41Å; L15-V20 HydrophobicContact CD1-CG2 4.04Å; L15-V20 HydrophobicContact CG-CG2 4.38Å; P16-V20 PolarHBondContact O-N 3.19Å; Y18-V20 VanDerWaalsContact C-N 3.29Å; Y18-V20 PolarHBondContact O-N 3.03Å; V20-I24 HydrophobicContact CG1-CD1 4.11Å; V20-I24 VanDerWaalsContact O-CG1 3.24Å; V20-I24 WeakPolarHBondContact O-CG1 3.34Å; V20-I24 PolarHBondContact O-N 2.92Å; V20-I24 VanDerWaalsContact O-N 3.1Å
21R74.3Confident72.6Confident133 Ų13375.4 Ų75.450%0.50238%0.375SS..Hα-helixtrans-66.7-40.7175.7-80.3-179.8-73.5178.81.8111.7M1 S17 Y18 Q19 I24 R25M1-R21 HydrophobicContact CE-CB 4.45Å; M1-R21 HydrophobicContact CE-CG 3.54Å; M1-R21 HydrophobicContact SD-CG 3.88Å; S17-R21 WeakPolarHBondContact O-CG 3.39Å; S17-R21 PolarHBondContact O-N 3.06Å; S17-R21 PolarHBondContact O-NE 3.07Å; S17-R21 VanDerWaalsContact O-NE 3.13Å; Y18-R21 WeakPolarHBondContact O-CA 3.39Å; Y18-R21 WeakPolarHBondContact O-CB 3.28Å; Y18-R21 PolarHBondContact O-N 2.8Å; Q19-R21 VanDerWaalsContact C-N 3.32Å; Q19-R21 PolarHBondContact O-N 3.31Å; R21-I24 PolarHBondContact O-N 3.46Å; R21-R25 WeakPolarHBondContact O-CB 3.43Å; R21-R25 PolarHBondContact O-N 3.29Å
22D75.1Confident72Confident74 Ų7475.3 Ų75.340%0.39639%0.385SS..Hα-helixtrans-65.2-42.9178.5-63.2-30.2000110.6Y18 Q19 I24 R25 E26Y18-D22 PolarHBondContact O-N 2.96Å; Q19-D22 PolarHBondContact O-N 3.37Å; D22-I24 PolarHBondContact O-N 2.95Å; D22-R25 PolarHBondContact O-N 3.15Å; D22-R25 IonicContact OD1-NH1 3.99Å; D22-E26 WeakPolarHBondContact O-CB 3.38Å; D22-E26 PolarHBondContact O-N 3.04Å
23L74Confident71.7Confident24 Ų2481 Ų8113%0.12640%0.404CS..Hα-helixtrans-58.1-46.2174.1-112.9133000112.7L15 Q19 E26 H27 L45 L49L15-L23 HydrophobicContact CD1-CD1 4.03Å; Q19-L23 WeakPolarHBondContact O-CB 3.36Å; Q19-L23 PolarHBondContact O-N 3.05Å; L23-E26 PolarHBondContact O-N 2.93Å; L23-H27 WeakPolarHBondContact O-CB 3.35Å; L23-H27 PolarHBondContact O-N 3.48Å; L23-H27 VanDerWaalsContact O-N 3.09Å; L23-H27 PolarHBondContact O-ND1 2.88Å; L23-L45 HydrophobicContact CB-CD2 4.37Å; L23-L45 HydrophobicContact CD2-CD2 3.35Å; L23-L45 HydrophobicContact CG-CD2 4.47Å; L23-L49 HydrophobicContact CD1-CD1 4.27Å; L23-L49 HydrophobicContact CD1-CD2 3.69Å; L23-L49 HydrophobicContact CD1-CG 4.26Å; L23-L49 HydrophobicContact CD2-CD1 4.26Å; L23-L49 HydrophobicContact CD2-CD2 4.3Å; L23-L49 HydrophobicContact CD2-CG 4.09Å
24I74.1Confident71Confident26 Ų2688.6 Ų88.613%0.13344%0.444CS..Hα-helixtrans-64.8-44.7177.9-64.7166.8000110.3M1 L4 V20 R21 D22 E26 H27 F28 Y31 L37M1-I24 HydrophobicContact CE-CD1 4.5Å; M1-I24 HydrophobicContact SD-CD1 3.73Å; L4-I24 HydrophobicContact CD2-CD1 3.79Å; L4-I24 HydrophobicContact CD2-CG1 4.15Å; V20-I24 HydrophobicContact CG1-CD1 4.11Å; V20-I24 VanDerWaalsContact O-CG1 3.24Å; V20-I24 WeakPolarHBondContact O-CG1 3.34Å; V20-I24 PolarHBondContact O-N 2.92Å; V20-I24 VanDerWaalsContact O-N 3.1Å; R21-I24 PolarHBondContact O-N 3.46Å; D22-I24 PolarHBondContact O-N 2.95Å; I24-E26 VanDerWaalsContact C-N 3.3Å; I24-E26 PolarHBondContact O-N 3.01Å; I24-H27 PolarHBondContact O-N 3.35Å; I24-F28 CarbonylContact O-C 3.05Å; I24-F28 VanDerWaalsContact O-CA 3.31Å; I24-F28 WeakPolarHBondContact O-CA 3.48Å; I24-F28 WeakPolarHBondContact O-CB 3.49Å; I24-F28 PolarHBondContact O-N 3.23Å; I24-Y31 HydrophobicContact CG2-CD1 4.24Å; I24-Y31 HydrophobicContact CG2-CG 4.44Å; I24-L37 HydrophobicContact CD1-CD1 4.22Å; I24-L37 HydrophobicContact CG1-CD1 4.12Å
25R75.4Confident70.5Confident170 Ų17082.7 Ų82.764%0.64243%0.428SS*.Hα-helixtrans-63.2-37.5180-172.1-172.5-62.4155.44.7112.2R21 D22 P29R21-R25 WeakPolarHBondContact O-CB 3.43Å; R21-R25 PolarHBondContact O-N 3.29Å; D22-R25 PolarHBondContact O-N 3.15Å; D22-R25 IonicContact OD1-NH1 3.99Å; R25-P29 WeakPolarHBondContact O-CA 3.32Å
26E74.8Confident70.5Confident145 Ų14585.7 Ų85.768%0.67846%0.457SS*.Hα-helixtrans-69.3-45.4179.3-177.4179.4-171.800112D22 L23 I24D22-E26 WeakPolarHBondContact O-CB 3.38Å; D22-E26 PolarHBondContact O-N 3.04Å; L23-E26 PolarHBondContact O-N 2.93Å; I24-E26 VanDerWaalsContact C-N 3.3Å; I24-E26 PolarHBondContact O-N 3.01Å
27H72.8Confident70.4Confident58 Ų5884.8 Ų84.827%0.26945%0.449SS..Hα-helixtrans-92.3-26.4-171.8-64.780000113.4L23 I24 L45 Q48L23-H27 WeakPolarHBondContact O-CB 3.35Å; L23-H27 PolarHBondContact O-N 3.48Å; L23-H27 VanDerWaalsContact O-N 3.09Å; L23-H27 PolarHBondContact O-ND1 2.88Å; I24-H27 PolarHBondContact O-N 3.35Å; H27-L45 HydrophobicContact CB-CD2 4.13Å; H27-Q48 PolarHBondContact CD2-OE1 3.41Å; H27-Q48 PolarHBondContact NE2-OE1 3.04Å
28F77.2Confident70.6Confident25 Ų2584.8 Ų84.811%0.1145%0.449CS..  trans-131.568.4179.7-52.4-82.5000109.5I24 D30 Y31 L37 E41 L45I24-F28 CarbonylContact O-C 3.05Å; I24-F28 VanDerWaalsContact O-CA 3.31Å; I24-F28 WeakPolarHBondContact O-CA 3.48Å; I24-F28 WeakPolarHBondContact O-CB 3.49Å; I24-F28 PolarHBondContact O-N 3.23Å; F28-D30 PolarHBondContact O-N 2.78Å; F28-D30 VanDerWaalsContact O-N 3.1Å; F28-Y31 HydrophobicContact CB-CD1 4.39Å; F28-Y31 HydrophobicContact CB-CD2 3.38Å; F28-Y31 HydrophobicContact CB-CE2 3.81Å; F28-Y31 HydrophobicContact CB-CG 3.68Å; F28-Y31 HydrophobicContact CD1-CD2 4.3Å; F28-Y31 AromaticContact CD1-CE2 3.84Å; F28-Y31 HydrophobicContact CD1-CE2 3.84Å; F28-Y31 HydrophobicContact CG-CD2 4.08Å; F28-Y31 AromaticContact CG-CE2 4Å; F28-Y31 HydrophobicContact CG-CE2 4Å; F28-Y31 HydrophobicContact CG-CG 4.48Å; F28-Y31 WeakPolarHBondContact O-CB 3.33Å; F28-Y31 PolarHBondContact O-N 2.91Å; F28-L37 HydrophobicContact CD2-CD2 4.03Å; F28-L37 HydrophobicContact CE1-CD2 4.44Å; F28-L37 HydrophobicContact CE2-CD2 3.61Å; F28-L37 HydrophobicContact CZ-CD2 3.84Å; F28-E41 HydrophobicContact CE1-CB 3.92Å; F28-E41 HydrophobicContact CE1-CG 3.77Å; F28-E41 HydrophobicContact CZ-CB 3.66Å; F28-E41 HydrophobicContact CZ-CG 4.05Å; F28-L45 HydrophobicContact CD2-CD1 4.48Å; F28-L45 HydrophobicContact CE2-CD1 3.65Å; F28-L45 HydrophobicContact CE2-CD2 3.97Å; F28-L45 HydrophobicContact CE2-CG 3.7Å; F28-L45 HydrophobicContact CZ-CD1 4.46Å; F28-L45 HydrophobicContact CZ-CG 4.4Å
29P71Confident70.7Confident95 Ų9585.4 Ų85.462%0.61746%0.459SS*.THydrogen-bonded Turntrans-60-25.2-175.824-34.1000113.2R25 Y31R25-P29 WeakPolarHBondContact O-CA 3.32Å; P29-Y31 VanDerWaalsContact C-N 3.3Å
30D71.6Confident70.8Confident159 Ų15986.7 Ų86.785%0.8547%0.474SS*.THydrogen-bonded Turntrans-81.7-5.3178.1-59.7-36.7000113.6F28 G32F28-D30 PolarHBondContact O-N 2.78Å; F28-D30 VanDerWaalsContact O-N 3.1Å; D30-G32 PolarHBondContact O-N 3.4Å
31Y71.3Confident70.9Confident60 Ų6088.9 Ų88.924%0.23548%0.484CS..  trans-72.4112.1177.5-90.1-133000110.7I24 F28 P29 A35 A36 L37 E41I24-Y31 HydrophobicContact CG2-CD1 4.24Å; I24-Y31 HydrophobicContact CG2-CG 4.44Å; F28-Y31 HydrophobicContact CB-CD1 4.39Å; F28-Y31 HydrophobicContact CB-CD2 3.38Å; F28-Y31 HydrophobicContact CB-CE2 3.81Å; F28-Y31 HydrophobicContact CB-CG 3.68Å; F28-Y31 HydrophobicContact CD1-CD2 4.3Å; F28-Y31 AromaticContact CD1-CE2 3.84Å; F28-Y31 HydrophobicContact CD1-CE2 3.84Å; F28-Y31 HydrophobicContact CG-CD2 4.08Å; F28-Y31 AromaticContact CG-CE2 4Å; F28-Y31 HydrophobicContact CG-CE2 4Å; F28-Y31 HydrophobicContact CG-CG 4.48Å; F28-Y31 WeakPolarHBondContact O-CB 3.33Å; F28-Y31 PolarHBondContact O-N 2.91Å; P29-Y31 VanDerWaalsContact C-N 3.3Å; Y31-A35 HydrophobicContact CD1-CB 3.2Å; Y31-A35 HydrophobicContact CD2-CB 4.36Å; Y31-A35 HydrophobicContact CE1-CB 3.61Å; Y31-A35 HydrophobicContact CG-CB 3.62Å; Y31-A36 PolarHBondContact OH-O 2.91Å; Y31-L37 HydrophobicContact CE1-CD2 4.27Å; Y31-L37 HydrophobicContact CE1-CG 3.96Å; Y31-E41 PolarHBondContact OH-OE1 3.08Å; Y31-E41 PolarHBondContact OH-OE2 3.32Å
32G57.2Low71.1Confident52 Ų5283.9 Ų83.954%0.53647%0.466SS..  trans-64.6162.4163.600000111.7D30 N34 A35D30-G32 PolarHBondContact O-N 3.4Å; G32-N34 PolarHBondContact O-N 3.03Å; G32-A35 PolarHBondContact O-N 3.13Å
33N58.4Low71.2Confident173 Ų17382.8 Ų82.893%0.92547%0.467SS*.THydrogen-bonded Turntrans-54.2-11.8-177.3-75.4-26.1000115.9
34N54.3Low71.3Confident164 Ų16486.7 Ų86.788%0.87749%0.485SS*.THydrogen-bonded Turntrans-11912.8-177.2-73.2-10.1000114.4G32G32-N34 PolarHBondContact O-N 3.03Å
35A62.8Low71.4Confident52 Ų5285.5 Ų85.543%0.4348%0.479SS..PPolyproline II helixtrans-77140.4178.100000112.1Y31 G32Y31-A35 HydrophobicContact CD1-CB 3.2Å; Y31-A35 HydrophobicContact CD2-CB 4.36Å; Y31-A35 HydrophobicContact CE1-CB 3.61Å; Y31-A35 HydrophobicContact CG-CB 3.62Å; G32-A35 PolarHBondContact O-N 3.13Å
36A70.2Confident71.5Confident87 Ų8779.4 Ų79.472%0.71946%0.457SS*.PPolyproline II helixtrans-94133.917600000109.7Y31Y31-A36 PolarHBondContact OH-O 2.91Å
37L72.7Confident71.5Confident37 Ų3775 Ų7519%0.19445%0.445CS..PPolyproline II helixtrans-79.6129.2172.5-86.4149.9000109.7L4 I24 F28 Y31 E41 L45L4-L37 HydrophobicContact CD1-CB 4Å; L4-L37 HydrophobicContact CD1-CD1 3.42Å; L4-L37 VanDerWaalsContact CD1-CD1 3.42Å; L4-L37 HydrophobicContact CD1-CG 4.33Å; L4-L37 HydrophobicContact CD2-CD1 3.37Å; L4-L37 HydrophobicContact CG-CD1 4.04Å; I24-L37 HydrophobicContact CD1-CD1 4.22Å; I24-L37 HydrophobicContact CG1-CD1 4.12Å; F28-L37 HydrophobicContact CD2-CD2 4.03Å; F28-L37 HydrophobicContact CE1-CD2 4.44Å; F28-L37 HydrophobicContact CE2-CD2 3.61Å; F28-L37 HydrophobicContact CZ-CD2 3.84Å; Y31-L37 HydrophobicContact CE1-CD2 4.27Å; Y31-L37 HydrophobicContact CE1-CG 3.96Å; L37-E41 HydrophobicContact CD2-CB 3.48Å; L37-E41 VanDerWaalsContact CD2-CB 3.48Å; L37-L45 HydrophobicContact CD1-CD1 3.78Å; L37-L45 HydrophobicContact CD2-CD1 3.72Å; L37-L45 HydrophobicContact CG-CD1 4.42Å
38S76.7Confident71.3Confident52 Ų5275.8 Ų75.836%0.36445%0.449SS..PPolyproline II helixtrans-71.5161.8167.470.30000111.3E41 F42S38-E41 WeakPolarHBondContact CA-OE2 3.44Å; S38-E41 WeakPolarHBondContact CB-OE2 3.36Å; S38-E41 PolarHBondContact N-OE2 3.38Å; S38-E41 PolarHBondContact O-N 3.24Å; S38-E41 VanDerWaalsContact OG-CG 3.26Å; S38-E41 WeakPolarHBondContact OG-CG 3.44Å; S38-E41 PolarHBondContact OG-OE2 2.96Å; S38-F42 PolarHBondContact O-N 3.12Å
39L74.2Confident71Confident136 Ų13675.9 Ų75.971%0.71245%0.451SS*.Hα-helixtrans-59-42.1177.9-176.667.9000113.1E41 F42 A43L39-E41 PolarHBondContact O-N 3.34Å; L39-F42 PolarHBondContact O-N 3.44Å; L39-A43 WeakPolarHBondContact O-CB 3.33Å; L39-A43 PolarHBondContact O-N 3.06Å
40P76.2Confident70.9Confident98 Ų9875.7 Ų75.764%0.63644%0.44SS*.Hα-helixtrans-60.6-40.6173.7-25.735.6000113.7A43 Q44P40-A43 WeakPolarHBondContact O-CB 3.47Å; P40-A43 PolarHBondContact O-N 2.89Å; P40-Q44 PolarHBondContact O-N 3.06Å
41E75.4Confident70.7Confident47 Ų4775.6 Ų75.622%0.2243%0.434CS..Hα-helixtrans-69.6-38.1178.7-66.8164.3132.700111.6F28 Y31 L37 S38 L39 Q44 L45F28-E41 HydrophobicContact CE1-CB 3.92Å; F28-E41 HydrophobicContact CE1-CG 3.77Å; F28-E41 HydrophobicContact CZ-CB 3.66Å; F28-E41 HydrophobicContact CZ-CG 4.05Å; Y31-E41 PolarHBondContact OH-OE1 3.08Å; Y31-E41 PolarHBondContact OH-OE2 3.32Å; L37-E41 HydrophobicContact CD2-CB 3.48Å; L37-E41 VanDerWaalsContact CD2-CB 3.48Å; S38-E41 WeakPolarHBondContact CA-OE2 3.44Å; S38-E41 WeakPolarHBondContact CB-OE2 3.36Å; S38-E41 PolarHBondContact N-OE2 3.38Å; S38-E41 PolarHBondContact O-N 3.24Å; S38-E41 VanDerWaalsContact OG-CG 3.26Å; S38-E41 WeakPolarHBondContact OG-CG 3.44Å; S38-E41 PolarHBondContact OG-OE2 2.96Å; L39-E41 PolarHBondContact O-N 3.34Å; E41-Q44 WeakPolarHBondContact O-CB 3.31Å; E41-Q44 PolarHBondContact O-N 3.29Å; E41-L45 PolarHBondContact O-N 3.18Å
42F78.3Confident70.4Confident27 Ų2777 Ų7712%0.11846%0.459CS..Hα-helixtrans-62.4-42.7170.2178.1-97.4000111.7L4 A7 F8 V11 S38 L39 Q44 L45 F46L4-F42 HydrophobicContact CD1-CD2 3.87Å; L4-F42 HydrophobicContact CD1-CE2 4.43Å; L4-F42 HydrophobicContact CG-CD2 4.35Å; A7-F42 HydrophobicContact CB-CD2 4.42Å; A7-F42 HydrophobicContact CB-CE2 3.69Å; A7-F42 HydrophobicContact CB-CZ 3.78Å; F8-F42 AromaticContact CD1-CE2 3.68Å; F8-F42 HydrophobicContact CD1-CE2 3.68Å; F8-F42 AromaticContact CD1-CZ 3.91Å; F8-F42 HydrophobicContact CD1-CZ 3.91Å; F8-F42 HydrophobicContact CD2-CE2 4.28Å; F8-F42 HydrophobicContact CE1-CD2 4.28Å; F8-F42 AromaticContact CE1-CE2 3.57Å; F8-F42 HydrophobicContact CE1-CE2 3.57Å; F8-F42 HydrophobicContact CE1-CZ 4.04Å; F8-F42 HydrophobicContact CE2-CE2 4.2Å; F8-F42 HydrophobicContact CG-CE2 4.03Å; F8-F42 HydrophobicContact CG-CZ 4.46Å; F8-F42 HydrophobicContact CZ-CD2 4.26Å; F8-F42 AromaticContact CZ-CE2 3.85Å; F8-F42 HydrophobicContact CZ-CE2 3.85Å; V11-F42 HydrophobicContact CG2-CZ 4.21Å; S38-F42 PolarHBondContact O-N 3.12Å; L39-F42 PolarHBondContact O-N 3.44Å; F42-Q44 VanDerWaalsContact C-N 3.28Å; F42-Q44 PolarHBondContact O-N 3.21Å; F42-L45 PolarHBondContact O-N 3.31Å; F42-F46 WeakPolarHBondContact O-CB 3.47Å; F42-F46 PolarHBondContact O-N 3.1Å
43A77.5Confident70.4Confident51 Ų5175.6 Ų75.642%0.42144%0.442SS..Hα-helixtrans-62.3-36.6176.900000111.8L39 P40 F46 A47L39-A43 WeakPolarHBondContact O-CB 3.33Å; L39-A43 PolarHBondContact O-N 3.06Å; P40-A43 WeakPolarHBondContact O-CB 3.47Å; P40-A43 PolarHBondContact O-N 2.89Å; A43-F46 PolarHBondContact O-N 3.46Å; A43-A47 WeakPolarHBondContact O-CB 3.44Å; A43-A47 PolarHBondContact O-N 3.39Å
44Q74.9Confident70.5Confident106 Ų10672 Ų7250%0.49542%0.422SS..Hα-helixtrans-64.4-49.3174.1-174.4179.5-0.700112P40 E41 F42 F46 A47 Q48P40-Q44 PolarHBondContact O-N 3.06Å; E41-Q44 WeakPolarHBondContact O-CB 3.31Å; E41-Q44 PolarHBondContact O-N 3.29Å; F42-Q44 VanDerWaalsContact C-N 3.28Å; F42-Q44 PolarHBondContact O-N 3.21Å; Q44-F46 VanDerWaalsContact C-N 3.3Å; Q44-F46 PolarHBondContact O-N 2.96Å; Q44-A47 PolarHBondContact O-N 2.96Å; Q44-Q48 PolarHBondContact O-N 3.25Å; Q44-Q48 VanDerWaalsContact O-N 3.11Å
45L76.6Confident70.5Confident2 Ų268.8 Ų68.81%0.0141%0.411CS..Hα-helixtrans-56.8-44.9174.1-77.6160000111.5F8 L23 H27 F28 L37 E41 F42 Q48 L49F8-L45 HydrophobicContact CZ-CB 4.11Å; L23-L45 HydrophobicContact CB-CD2 4.37Å; L23-L45 HydrophobicContact CD2-CD2 3.35Å; L23-L45 HydrophobicContact CG-CD2 4.47Å; H27-L45 HydrophobicContact CB-CD2 4.13Å; F28-L45 HydrophobicContact CD2-CD1 4.48Å; F28-L45 HydrophobicContact CE2-CD1 3.65Å; F28-L45 HydrophobicContact CE2-CD2 3.97Å; F28-L45 HydrophobicContact CE2-CG 3.7Å; F28-L45 HydrophobicContact CZ-CD1 4.46Å; F28-L45 HydrophobicContact CZ-CG 4.4Å; L37-L45 HydrophobicContact CD1-CD1 3.78Å; L37-L45 HydrophobicContact CD2-CD1 3.72Å; L37-L45 HydrophobicContact CG-CD1 4.42Å; E41-L45 PolarHBondContact O-N 3.18Å; F42-L45 PolarHBondContact O-N 3.31Å; L45-Q48 PolarHBondContact O-N 2.97Å; L45-L49 WeakPolarHBondContact O-CB 3.36Å; L45-L49 WeakPolarHBondContact O-CG 3.45Å; L45-L49 PolarHBondContact O-N 2.72Å
46F76.6Confident69.7Low42 Ų4273.3 Ų73.318%0.18442%0.421CS..Hα-helixtrans-64-42.9178.8179.5-99.8000112.1V11 I13 F42 A43 Q44 Q48 L49 K50 I61V11-F46 HydrophobicContact CB-CD2 4.22Å; V11-F46 HydrophobicContact CB-CE2 3.63Å; V11-F46 HydrophobicContact CB-CZ 4.23Å; V11-F46 HydrophobicContact CG1-CE2 4.47Å; V11-F46 HydrophobicContact CG2-CD2 3.52Å; V11-F46 HydrophobicContact CG2-CE2 3.35Å; V11-F46 HydrophobicContact CG2-CZ 4.38Å; I13-F46 HydrophobicContact CD1-CD2 3.5Å; I13-F46 HydrophobicContact CD1-CE2 3.53Å; I13-F46 HydrophobicContact CG1-CE2 4.18Å; F42-F46 WeakPolarHBondContact O-CB 3.47Å; F42-F46 PolarHBondContact O-N 3.1Å; A43-F46 PolarHBondContact O-N 3.46Å; Q44-F46 VanDerWaalsContact C-N 3.3Å; Q44-F46 PolarHBondContact O-N 2.96Å; F46-Q48 PolarHBondContact O-N 2.87Å; F46-L49 PolarHBondContact O-N 2.93Å; F46-K50 HydrophobicContact CE1-CD 4.3Å; F46-K50 VanDerWaalsContact O-CB 3.3Å; F46-K50 WeakPolarHBondContact O-CB 3.22Å; F46-K50 PolarHBondContact O-N 3.33Å; F46-I61 HydrophobicContact CE2-CD1 4.27Å; F46-I61 HydrophobicContact CZ-CD1 4.12Å; F46-I61 HydrophobicContact CZ-CG2 4.09Å
47A75Confident68.5Low51 Ų5170.9 Ų70.942%0.42139%0.394SS..Hα-helixtrans-60.7-43.9178.200000111.8A43 Q44 K50 E51A43-A47 WeakPolarHBondContact O-CB 3.44Å; A43-A47 PolarHBondContact O-N 3.39Å; Q44-A47 PolarHBondContact O-N 2.96Å; A47-K50 WeakPolarHBondContact O-CB 3.2Å; A47-K50 PolarHBondContact O-N 2.95Å; A47-E51 PolarHBondContact O-N 2.94Å
48Q69.2Low67.3Low75 Ų7574 Ų7435%0.3541%0.406SS..Hα-helixtrans-69.5-41.8177.2-76.9176.1-38.700112.8H27 Q44 L45 F46 K50 E51 A52H27-Q48 PolarHBondContact CD2-OE1 3.41Å; H27-Q48 PolarHBondContact NE2-OE1 3.04Å; Q44-Q48 PolarHBondContact O-N 3.25Å; Q44-Q48 VanDerWaalsContact O-N 3.11Å; L45-Q48 PolarHBondContact O-N 2.97Å; F46-Q48 PolarHBondContact O-N 2.87Å; Q48-K50 PolarHBondContact O-N 3.39Å; Q48-E51 PolarHBondContact O-N 3.28Å; Q48-E51 VanDerWaalsContact O-N 3.11Å; Q48-A52 WeakPolarHBondContact O-CB 3.29Å; Q48-A52 PolarHBondContact O-N 3.23Å
49L71.2Confident65.9Low28 Ų2878 Ų7815%0.14742%0.419CS..Hα-helixtrans-57.2-38.2171.8-81.5170.4000111.3F8 I13 L15 L23 L45 F46 A53F8-L49 HydrophobicContact CD1-CD1 4.01Å; F8-L49 HydrophobicContact CE1-CD1 3.36Å; F8-L49 HydrophobicContact CZ-CD1 3.67Å; I13-L49 HydrophobicContact CD1-CB 4.25Å; I13-L49 HydrophobicContact CD1-CD1 4.18Å; L15-L49 HydrophobicContact CD1-CD1 3.92Å; L15-L49 HydrophobicContact CD1-CD2 4.4Å; L23-L49 HydrophobicContact CD1-CD1 4.27Å; L23-L49 HydrophobicContact CD1-CD2 3.69Å; L23-L49 HydrophobicContact CD1-CG 4.26Å; L23-L49 HydrophobicContact CD2-CD1 4.26Å; L23-L49 HydrophobicContact CD2-CD2 4.3Å; L23-L49 HydrophobicContact CD2-CG 4.09Å; L45-L49 WeakPolarHBondContact O-CB 3.36Å; L45-L49 WeakPolarHBondContact O-CG 3.45Å; L45-L49 PolarHBondContact O-N 2.72Å; F46-L49 PolarHBondContact O-N 2.93Å; L49-A53 WeakPolarHBondContact O-CB 3.49Å; L49-A53 PolarHBondContact O-N 3.03Å; L49-A53 VanDerWaalsContact O-N 3.11Å
50K68.5Low64.5Low91 Ų9181.6 Ų81.640%0.39642%0.423SS..Hα-helixtrans-69-34.5175.8-171.3-179.6178.4178.70113.5F46 A47 Q48 K58 I61F46-K50 HydrophobicContact CE1-CD 4.3Å; F46-K50 VanDerWaalsContact O-CB 3.3Å; F46-K50 WeakPolarHBondContact O-CB 3.22Å; F46-K50 PolarHBondContact O-N 3.33Å; A47-K50 WeakPolarHBondContact O-CB 3.2Å; A47-K50 PolarHBondContact O-N 2.95Å; Q48-K50 PolarHBondContact O-N 3.39Å; K50-K58 VanDerWaalsContact O-CE 3.3Å; K50-K58 WeakPolarHBondContact O-CE 3.42Å; K50-I61 HydrophobicContact CD-CG2 4.06Å; K50-I61 HydrophobicContact CG-CD1 4.49Å
51E68.4Low62.8Low156 Ų15678.4 Ų78.473%0.72940%0.401SS*.Hα-helixtrans-71.6-44.6174.3-76.5-165.6161.300112.5A47 Q48 A53A47-E51 PolarHBondContact O-N 2.94Å; Q48-E51 PolarHBondContact O-N 3.28Å; Q48-E51 VanDerWaalsContact O-N 3.11Å; E51-A53 VanDerWaalsContact C-N 3.27Å; E51-A53 PolarHBondContact O-N 3.48Å
52A64.9Low61Low91 Ų9182.3 Ų82.375%0.75242%0.419SS*.Hα-helixtrans-73.8-15.8-178.100000113.8Q48Q48-A52 WeakPolarHBondContact O-CB 3.29Å; Q48-A52 PolarHBondContact O-N 3.23Å
53A57.6Low59.1Low22 Ų2288.8 Ų88.818%0.18245%0.447CS..SBendtrans-81.5147.7-171.500000114.9L49 E51 F57L49-A53 WeakPolarHBondContact O-CB 3.49Å; L49-A53 PolarHBondContact O-N 3.03Å; L49-A53 VanDerWaalsContact O-N 3.11Å; E51-A53 VanDerWaalsContact C-N 3.27Å; E51-A53 PolarHBondContact O-N 3.48Å; A53-F57 HydrophobicContact CB-CB 3.68Å; A53-F57 HydrophobicContact CB-CD1 2.97Å; A53-F57 HydrophobicContact CB-CD2 4.25Å; A53-F57 HydrophobicContact CB-CE1 3.32Å; A53-F57 HydrophobicContact CB-CG 3.42Å; A53-F57 VanDerWaalsContact CB-CG 3.42Å; A53-F57 HydrophobicContact CB-CZ 4.09Å
54D59.3Low57.4Low96 Ų9690.4 Ų90.451%0.51345%0.453SS..  trans-46.2141.3175.4-174.8-37.3000111.7K56 F57 K58D54-K56 PolarHBondContact O-N 2.98Å; D54-K56 PolarHBondContact OD1-N 3.21Å; D54-F57 WeakPolarHBondContact O-CA 3.32Å; D54-F57 VanDerWaalsContact O-CB 3.22Å; D54-F57 WeakPolarHBondContact O-CB 3.49Å; D54-F57 PolarHBondContact O-N 2.89Å; D54-K58 PolarHBondContact O-N 3.43Å
55P54.1Low55.9Low98 Ų9894 Ų9464%0.63647%0.47SS*.Hα-helixtrans-43.4-36170.98.7-23.2000115.1F57 K58 E59P55-F57 VanDerWaalsContact C-N 3.26Å; P55-F57 PolarHBondContact O-N 3.33Å; P55-K58 PolarHBondContact O-N 3.32Å; P55-E59 PolarHBondContact O-N 3.5Å; P55-E59 VanDerWaalsContact O-N 3.08Å
56K47.1Very low54.5Low147 Ų14797.1 Ų97.164%0.63949%0.486SS*.Hα-helixtrans-62.6-29.2173.9-80.7-177.5175.5177.40114.2D54 R60D54-K56 PolarHBondContact O-N 2.98Å; D54-K56 PolarHBondContact OD1-N 3.21Å; K56-R60 WeakPolarHBondContact O-CG 3.34Å; K56-R60 PolarHBondContact O-N 3.31Å
57F44.5Very low52.9Low36 Ų3696.5 Ų96.516%0.15849%0.486CS..Hα-helixtrans-78.4-35.7175.3-179-92.6000111.6I13 A53 D54 P55 E59 R60 I61I13-F57 HydrophobicContact CB-CE2 4.19Å; I13-F57 HydrophobicContact CB-CZ 4.32Å; I13-F57 HydrophobicContact CD1-CE1 4.42Å; I13-F57 HydrophobicContact CD1-CE2 4.21Å; I13-F57 HydrophobicContact CD1-CZ 3.48Å; I13-F57 VanDerWaalsContact CD1-CZ 3.48Å; I13-F57 HydrophobicContact CG1-CE2 3.65Å; I13-F57 HydrophobicContact CG1-CZ 3.43Å; I13-F57 VanDerWaalsContact CG1-CZ 3.43Å; I13-F57 HydrophobicContact CG2-CE2 3.99Å; I13-F57 HydrophobicContact CG2-CZ 4.13Å; A53-F57 HydrophobicContact CB-CB 3.68Å; A53-F57 HydrophobicContact CB-CD1 2.97Å; A53-F57 HydrophobicContact CB-CD2 4.25Å; A53-F57 HydrophobicContact CB-CE1 3.32Å; A53-F57 HydrophobicContact CB-CG 3.42Å; A53-F57 VanDerWaalsContact CB-CG 3.42Å; A53-F57 HydrophobicContact CB-CZ 4.09Å; D54-F57 WeakPolarHBondContact O-CA 3.32Å; D54-F57 VanDerWaalsContact O-CB 3.22Å; D54-F57 WeakPolarHBondContact O-CB 3.49Å; D54-F57 PolarHBondContact O-N 2.89Å; P55-F57 VanDerWaalsContact C-N 3.26Å; P55-F57 PolarHBondContact O-N 3.33Å; F57-E59 VanDerWaalsContact C-N 3.29Å; F57-E59 PolarHBondContact O-N 3.5Å; F57-R60 PolarHBondContact O-N 3.02Å; F57-I61 HydrophobicContact CD1-CD1 3.41Å; F57-I61 VanDerWaalsContact CD1-CD1 3.41Å; F57-I61 HydrophobicContact CD1-CG1 4.26Å; F57-I61 HydrophobicContact CD2-CD1 4.46Å; F57-I61 HydrophobicContact CE1-CD1 3.03Å; F57-I61 HydrophobicContact CE1-CG1 4.25Å; F57-I61 HydrophobicContact CE2-CD1 4.11Å; F57-I61 HydrophobicContact CG-CD1 4.19Å; F57-I61 HydrophobicContact CZ-CD1 3.46Å; F57-I61 VanDerWaalsContact CZ-CD1 3.46Å; F57-I61 WeakPolarHBondContact O-CG1 3.17Å; F57-I61 PolarHBondContact O-N 3.35Å; F57-I61 VanDerWaalsContact O-N 3.1Å
58K48.3Very low51.6Low103 Ų103100.3 Ų100.345%0.44850%0.495SS..Hα-helixtrans-62.1-37.8172-69.6-175.4-178.3176.80111.5K50 D54 P55 I61 Q62K50-K58 VanDerWaalsContact O-CE 3.3Å; K50-K58 WeakPolarHBondContact O-CE 3.42Å; D54-K58 PolarHBondContact O-N 3.43Å; P55-K58 PolarHBondContact O-N 3.32Å; K58-I61 PolarHBondContact O-N 2.88Å; K58-Q62 WeakPolarHBondContact O-CG 3.39Å; K58-Q62 PolarHBondContact O-N 3.43Å; K58-Q62 VanDerWaalsContact O-N 3.17Å
59E47.1Very low50.3Low136 Ų136100 Ų10064%0.63650%0.499SS*.Hα-helixtrans-60.9-44.9171-77.4178.2167.500112.4P55 F57 I61 Q62P55-E59 PolarHBondContact O-N 3.5Å; P55-E59 VanDerWaalsContact O-N 3.08Å; F57-E59 VanDerWaalsContact C-N 3.29Å; F57-E59 PolarHBondContact O-N 3.5Å; E59-I61 VanDerWaalsContact C-N 3.28Å; E59-I61 PolarHBondContact O-N 2.86Å; E59-Q62 PolarHBondContact O-N 3.2Å
60R44.5Very low48.8Very low211 Ų211101.5 Ų101.580%0.79651%0.506SS*.Hα-helixtrans-66.1-23.5178.2-73.3178-180179.40.1114.7K56 F57K56-R60 WeakPolarHBondContact O-CG 3.34Å; K56-R60 PolarHBondContact O-N 3.31Å; F57-R60 PolarHBondContact O-N 3.02Å
61I39.1Very low47.1Very low31 Ų31100.1 Ų100.116%0.15951%0.508CS..Hα-helixtrans-98.5-7-178.8-64.7-179.3000112.4F46 K50 F57 K58 E59 K63F46-I61 HydrophobicContact CE2-CD1 4.27Å; F46-I61 HydrophobicContact CZ-CD1 4.12Å; F46-I61 HydrophobicContact CZ-CG2 4.09Å; K50-I61 HydrophobicContact CD-CG2 4.06Å; K50-I61 HydrophobicContact CG-CD1 4.49Å; F57-I61 HydrophobicContact CD1-CD1 3.41Å; F57-I61 VanDerWaalsContact CD1-CD1 3.41Å; F57-I61 HydrophobicContact CD1-CG1 4.26Å; F57-I61 HydrophobicContact CD2-CD1 4.46Å; F57-I61 HydrophobicContact CE1-CD1 3.03Å; F57-I61 HydrophobicContact CE1-CG1 4.25Å; F57-I61 HydrophobicContact CE2-CD1 4.11Å; F57-I61 HydrophobicContact CG-CD1 4.19Å; F57-I61 HydrophobicContact CZ-CD1 3.46Å; F57-I61 VanDerWaalsContact CZ-CD1 3.46Å; F57-I61 WeakPolarHBondContact O-CG1 3.17Å; F57-I61 PolarHBondContact O-N 3.35Å; F57-I61 VanDerWaalsContact O-N 3.1Å; K58-I61 PolarHBondContact O-N 2.88Å; E59-I61 VanDerWaalsContact C-N 3.28Å; E59-I61 PolarHBondContact O-N 2.86Å; I61-K63 PolarHBondContact O-N 3.25Å; I61-K63 VanDerWaalsContact O-N 3.1Å
62Q37.7Very low45.5Very low129 Ų12993.3 Ų93.360%0.60348%0.48SS*.SBendtrans-51.2128.9165.6-70-173.515.600107.1K58 E59 P64K58-Q62 WeakPolarHBondContact O-CG 3.39Å; K58-Q62 PolarHBondContact O-N 3.43Å; K58-Q62 VanDerWaalsContact O-N 3.17Å; E59-Q62 PolarHBondContact O-N 3.2Å; Q62-P64 VanDerWaalsContact O-N 3.13Å
63K40Very low44.2Very low163 Ų16396.4 Ų96.471%0.70948%0.483SS*.  trans-41.6128.6175.3-76.4179.4175.5179.50106.1I61 E65I61-K63 PolarHBondContact O-N 3.25Å; I61-K63 VanDerWaalsContact O-N 3.1Å; K63-E65 PolarHBondContact O-N 2.83Å
64P41.2Very low43.4Very low84 Ų8498 Ų9855%0.54549%0.493SS..  trans-50.6119.4171.2-17.626.8000105.5Q62 N66 V67Q62-P64 VanDerWaalsContact O-N 3.13Å; P64-N66 PolarHBondContact O-N 3.45Å; P64-V67 HydrophobicContact CB-CB 4.14Å; P64-V67 HydrophobicContact CB-CG2 3.76Å; P64-V67 HydrophobicContact CG-CB 4.27Å; P64-V67 HydrophobicContact CG-CG2 3.92Å; P64-V67 PolarHBondContact O-N 3.25Å
65E43Very low42.4Very low181 Ų181101.2 Ų101.285%0.84651%0.505SS*.THydrogen-bonded Turntrans-53.7-23.9-172.6-71-176.7148.700111.3K63K63-E65 PolarHBondContact O-N 2.83Å
66N46.6Very low41.7Very low68 Ų6899.4 Ų99.436%0.36450%0.498SS..THydrogen-bonded Turntrans-89.5-2.2-177.8-57.3-12.6000114.9P64 S88 E89P64-N66 PolarHBondContact O-N 3.45Å; N66-S88 WeakPolarHBondContact CB-OG 3.41Å; N66-S88 PolarHBondContact O-N 3.09Å; N66-S88 PolarHBondContact O-OG 3.47Å; N66-E89 WeakPolarHBondContact CB-OE1 3.18Å; N66-E89 PolarHBondContact ND2-OE1 2.92Å
67V44.9Very low41.3Very low29 Ų2994 Ų9418%0.17648%0.479CS..EExtended strand (participates in β ladder)trans-102.4104.9179.1173.50000110.2P64 V69 S85 V86 R87P64-V67 HydrophobicContact CB-CB 4.14Å; P64-V67 HydrophobicContact CB-CG2 3.76Å; P64-V67 HydrophobicContact CG-CB 4.27Å; P64-V67 HydrophobicContact CG-CG2 3.92Å; P64-V67 PolarHBondContact O-N 3.25Å; V67-V69 HydrophobicContact CG1-CG2 4.26Å; V67-V69 PolarHBondContact O-N 3.39Å; V67-S85 VanDerWaalsContact CG1-CB 3.46Å; V67-V86 WeakPolarHBondContact CA-O 3.34Å; V67-R87 HydrophobicContact CG2-CG 4.13Å
68Q47.3Very low40.9Very low131 Ų13198 Ų9861%0.61250%0.498SS*.EExtended strand (participates in β ladder)trans-79.6117.7167.6-67-17514.700109.1S85 V86Q68-S85 WeakPolarHBondContact O-CA 3.38Å; Q68-V86 PolarHBondContact N-O 3.4Å; Q68-V86 PolarHBondContact O-N 2.89Å
69V40.7Very low40.4Very low70 Ų70101.3 Ų101.342%0.42452%0.515SS..EExtended strand (participates in β ladder)trans-89.2106.4170.3179.70000107.6V67 Y83V67-V69 HydrophobicContact CG1-CG2 4.26Å; V67-V69 PolarHBondContact O-N 3.39Å; V69-Y83 HydrophobicContact CG1-CD1 3.43Å; V69-Y83 VanDerWaalsContact CG1-CD1 3.43Å; V69-Y83 HydrophobicContact CG1-CE1 4.35Å; V69-Y83 HydrophobicContact CG1-CG 3.99Å
70L40.6Very low40Very low58 Ų58101.8 Ų101.830%0.30452%0.517SS..EExtended strand (participates in β ladder)trans-84.8120.9172.7-70.1157.7000108H84 V86 P189L70-H84 PolarHBondContact N-O 3.03Å; L70-H84 PolarHBondContact O-N 2.9Å; L70-V86 HydrophobicContact CD1-CG2 3.85Å; L70-P189 HydrophobicContact CD1-CB 4.04Å; L70-P189 HydrophobicContact CD1-CG 4.09Å
71S32.1Very low39.4Very low63 Ų6393.6 Ų93.644%0.44150%0.498SS..EExtended strand (participates in β ladder)trans-65.5140.1165.958.90000108.9L73S71-L73 PolarHBondContact O-N 3.42Å; S71-L73 VanDerWaalsContact O-N 3.12Å
72G35.4Very low39.4Very low13 Ų1395.6 Ų95.613%0.13451%0.508CS..PPolyproline II helixtrans-48.7122.916900000110.4S74 Q78G72-S74 PolarHBondContact O-N 2.88Å; G72-Q78 VanDerWaalsContact O-CG 3.26Å; G72-Q78 WeakPolarHBondContact O-CG 3.49Å; G72-Q78 PolarHBondContact O-NE2 3.44Å; G72-Q78 VanDerWaalsContact O-NE2 3.09Å
73L37.9Very low39.7Very low156 Ų15697.6 Ų97.682%0.81751%0.511SS*.SBendtrans-78.20.8-178.4-70.1171.9000112.9S71S71-L73 PolarHBondContact O-N 3.42Å; S71-L73 VanDerWaalsContact O-N 3.12Å
74S40.2Very low40.3Very low56 Ų5693.2 Ų93.239%0.39249%0.493SS..SBendtrans-108.1140.6171.444.20000110.5G72 A76 S77 Q78G72-S74 PolarHBondContact O-N 2.88Å; S74-A76 PolarHBondContact O-N 3.39Å; S74-S77 PolarHBondContact O-N 2.9Å; S74-S77 PolarHBondContact OG-OG 2.9Å; S74-Q78 PolarHBondContact O-N 3.08Å
75E39.6Very low41Very low163 Ų16392.9 Ų92.976%0.76249%0.493SS*.Hα-helixtrans-50.1-41.3176.5-67.2175.4161.500111.7S77 Q78 E79E75-S77 VanDerWaalsContact C-N 3.31Å; E75-S77 PolarHBondContact O-N 3.07Å; E75-Q78 PolarHBondContact O-N 3.37Å; E75-E79 PolarHBondContact O-N 2.95Å
76A38.6Very low42.2Very low60 Ų6084.5 Ų84.550%0.49646%0.455SS..Hα-helixtrans-62.1-31.4177.300000114.5S74 Q80S74-A76 PolarHBondContact O-N 3.39Å; A76-Q80 WeakPolarHBondContact O-CG 3.35Å
77S39.1Very low43.6Very low34 Ų3486 Ų8624%0.23846%0.455CS..Hα-helixtrans-82.6-25.8178.5-59.40000112.2S74 E75 G81 I82S74-S77 PolarHBondContact O-N 2.9Å; S74-S77 PolarHBondContact OG-OG 2.9Å; E75-S77 VanDerWaalsContact C-N 3.31Å; E75-S77 PolarHBondContact O-N 3.07Å; S77-G81 PolarHBondContact O-N 3.24Å; S77-I82 PolarHBondContact O-N 2.84Å
78Q35.4Very low45.6Very low120 Ų12086.6 Ų86.656%0.56146%0.461SS*.Hα-helixtrans-72.8-41173.7-64.5-177200111.3G72 S74 E75 Q80 G81G72-Q78 VanDerWaalsContact O-CG 3.26Å; G72-Q78 WeakPolarHBondContact O-CG 3.49Å; G72-Q78 PolarHBondContact O-NE2 3.44Å; G72-Q78 VanDerWaalsContact O-NE2 3.09Å; S74-Q78 PolarHBondContact O-N 3.08Å; E75-Q78 PolarHBondContact O-N 3.37Å; Q78-Q80 PolarHBondContact O-N 3.41Å; Q78-G81 PolarHBondContact O-N 3.24Å
79E38.4Very low47.6Very low172 Ų17281.7 Ų81.780%0.80444%0.438SS*.Hα-helixtrans-62-31.2174.7-72.8-176.7170.100112.9E75E75-E79 PolarHBondContact O-N 2.95Å
80Q38.1Very low50.1Low146 Ų14679.2 Ų79.268%0.68242%0.421SS*.THydrogen-bonded Turntrans-90.5-3.8179.3-67.3-177.9-2.100114.4A76 Q78 I82A76-Q80 WeakPolarHBondContact O-CG 3.35Å; Q78-Q80 PolarHBondContact O-N 3.41Å; Q80-I82 VanDerWaalsContact C-N 3.35Å; Q80-I82 HydrophobicContact CB-CD1 4.25Å; Q80-I82 HydrophobicContact CB-CG1 4.17Å; Q80-I82 PolarHBondContact O-N 3.42Å
81G31.2Very low52.6Low38 Ų3877.4 Ų77.439%0.39241%0.411SS..THydrogen-bonded Turntrans65.927.817600000115.6S77 Q78 Y83S77-G81 PolarHBondContact O-N 3.24Å; Q78-G81 PolarHBondContact O-N 3.24Å; G81-Y83 WeakPolarHBondContact O-CD2 3.49Å; G81-Y83 PolarHBondContact O-N 3.1Å
82I39.5Very low55.6Low73 Ų7376.8 Ų76.837%0.37441%0.405SS..  trans-83.8112.7-178.6-56.5174.5000109.9S77 Q80S77-I82 PolarHBondContact O-N 2.84Å; Q80-I82 VanDerWaalsContact C-N 3.35Å; Q80-I82 HydrophobicContact CB-CD1 4.25Å; Q80-I82 HydrophobicContact CB-CG1 4.17Å; Q80-I82 PolarHBondContact O-N 3.42Å
83Y43.4Very low58.4Low171 Ų17176.5 Ų76.567%0.67140%0.401SS*.EExtended strand (participates in β ladder)trans-103.7129175.6-66.6-78.1000110.6V69 G81V69-Y83 HydrophobicContact CG1-CD1 3.43Å; V69-Y83 VanDerWaalsContact CG1-CD1 3.43Å; V69-Y83 HydrophobicContact CG1-CE1 4.35Å; V69-Y83 HydrophobicContact CG1-CG 3.99Å; G81-Y83 WeakPolarHBondContact O-CD2 3.49Å; G81-Y83 PolarHBondContact O-N 3.1Å
84H53.2Low61.2Low71 Ų7169.1 Ų69.133%0.32936%0.362SS..EExtended strand (participates in β ladder)trans-106122.9172.5-65.1-70.9000110.3L70 H190L70-H84 PolarHBondContact N-O 3.03Å; L70-H84 PolarHBondContact O-N 2.9Å; H84-H190 HydrophobicContact CB-CB 3.83Å; H84-H190 AromaticContact CD2-CD2 3.63Å; H84-H190 AromaticContact CD2-CE1 3.83Å; H84-H190 AromaticContact CD2-NE2 3.4Å; H84-H190 PolarHBondContact CD2-NE2 3.23Å; H84-H190 AromaticContact CE1-CD2 3.92Å; H84-H190 AromaticContact CG-CD2 3.4Å; H84-H190 VanDerWaalsContact CG-CD2 3.4Å; H84-H190 AromaticContact CG-CG 3.75Å; H84-H190 AromaticContact CG-NE2 3.7Å; H84-H190 AromaticContact ND1-CD2 3.6Å; H84-H190 AromaticContact NE2-CD2 3.96Å; H84-H190 AromaticContact NE2-NE2 3.68Å
85S56.8Low63.9Low77 Ų7766.4 Ų66.454%0.53834%0.344SS..EExtended strand (participates in β ladder)trans-89126.6172.4560000110.4V67 Q68V67-S85 VanDerWaalsContact CG1-CB 3.46Å; Q68-S85 WeakPolarHBondContact O-CA 3.38Å
86V66.8Low66.6Low6 Ų662.5 Ų62.54%0.03633%0.328CS..EExtended strand (participates in β ladder)trans-106.9125168.5170.80000108.2V67 Q68 L70 P189 H190 L193V67-V86 WeakPolarHBondContact CA-O 3.34Å; Q68-V86 PolarHBondContact N-O 3.4Å; Q68-V86 PolarHBondContact O-N 2.89Å; L70-V86 HydrophobicContact CD1-CG2 3.85Å; V86-P189 HydrophobicContact CG1-CB 4.36Å; V86-P189 HydrophobicContact CG2-CB 3.84Å; V86-H190 HydrophobicContact CG2-CB 3.83Å; V86-L193 HydrophobicContact CG1-CD1 3.58Å
87R77.1Confident69.3Low99 Ų9960.4 Ų60.437%0.37431%0.307SS..EExtended strand (participates in β ladder)trans-89.5122.3173.8-74.2-173.9-178.6-154.80.3108.8V67 E89 E90V67-R87 HydrophobicContact CG2-CG 4.13Å; R87-E89 WeakPolarHBondContact CB-OE2 3.29Å; R87-E89 PolarHBondContact O-N 2.97Å; R87-E90 HydrophobicContact CB-CB 4.43Å; R87-E90 HydrophobicContact CB-CG 4.06Å; R87-E90 PolarHBondContact O-N 3.35Å
88S86.2Confident72.1Confident42 Ų4258.8 Ų58.829%0.29430%0.296SS..Hα-helixtrans-60.9-26.2175.750.10000112.5N66 Q91 V92N66-S88 WeakPolarHBondContact CB-OG 3.41Å; N66-S88 PolarHBondContact O-N 3.09Å; N66-S88 PolarHBondContact O-OG 3.47Å; S88-Q91 WeakPolarHBondContact O-CB 3.46Å; S88-Q91 PolarHBondContact O-N 2.87Å; S88-V92 WeakPolarHBondContact O-CG2 3.47Å; S88-V92 PolarHBondContact O-N 3.46Å; S88-V92 VanDerWaalsContact O-N 3.1Å
89E90.4Very high75Confident28 Ų2854.6 Ų54.613%0.13128%0.277CS..Hα-helixtrans-67.2-40.1179.7-54.394.8153.900111.8N66 R87 Q91 V92 A93 D317 L325N66-E89 WeakPolarHBondContact CB-OE1 3.18Å; N66-E89 PolarHBondContact ND2-OE1 2.92Å; R87-E89 WeakPolarHBondContact CB-OE2 3.29Å; R87-E89 PolarHBondContact O-N 2.97Å; E89-Q91 VanDerWaalsContact C-N 3.32Å; E89-Q91 PolarHBondContact O-N 2.88Å; E89-V92 PolarHBondContact O-N 3.45Å; E89-A93 VanDerWaalsContact O-CB 3.28Å; E89-A93 WeakPolarHBondContact O-CB 3.42Å; E89-A93 PolarHBondContact O-N 2.71Å; E89-D317 WeakPolarHBondContact CB-OD1 3.24Å; E89-D317 WeakPolarHBondContact CG-OD1 3.33Å; E89-L325 HydrophobicContact CB-CD1 3.78Å
90E91.8Very high77.7Confident18 Ų1850.4 Ų50.48%0.08427%0.267CS..Hα-helixtrans-62.7-40.4174.1-68.6-177.5-167.600111.2R87 A93 F94 L193 K324 L325R87-E90 HydrophobicContact CB-CB 4.43Å; R87-E90 HydrophobicContact CB-CG 4.06Å; R87-E90 PolarHBondContact O-N 3.35Å; E90-A93 PolarHBondContact O-N 3.34Å; E90-F94 HydrophobicContact CB-CD2 4.34Å; E90-F94 HydrophobicContact CB-CE2 3.77Å; E90-F94 HydrophobicContact CB-CZ 4.01Å; E90-F94 HydrophobicContact CG-CE2 4.35Å; E90-F94 HydrophobicContact CG-CZ 4.2Å; E90-F94 WeakPolarHBondContact O-CB 3.37Å; E90-F94 VanDerWaalsContact O-CD2 3.23Å; E90-F94 WeakPolarHBondContact O-CD2 3.36Å; E90-F94 WeakPolarHBondContact O-CG 3.38Å; E90-F94 PolarHBondContact O-N 3.13Å; E90-L193 HydrophobicContact CB-CD1 4.28Å; E90-K324 VanDerWaalsContact CD-NZ 3.33Å; E90-K324 WeakPolarHBondContact OE1-CD 3.48Å; E90-K324 WeakPolarHBondContact OE1-CE 3.31Å; E90-K324 IonicContact OE1-NZ 3.4Å; E90-K324 PolarHBondContact OE1-NZ 2.87Å; E90-K324 IonicContact OE2-NZ 3.3Å; E90-K324 PolarHBondContact OE2-NZ 3.1Å; E90-K324 VanDerWaalsContact OE2-NZ 3.12Å; E90-L325 HydrophobicContact CG-CD2 4.49Å
91Q94.4Very high80.4Confident20 Ų2047.2 Ų47.29%0.09326%0.255CS..Hα-helixtrans-62-46.1177.8179.8-170.9-66.700112.1S88 E89 S95 S117 G118 Y122 L193S88-Q91 WeakPolarHBondContact O-CB 3.46Å; S88-Q91 PolarHBondContact O-N 2.87Å; E89-Q91 VanDerWaalsContact C-N 3.32Å; E89-Q91 PolarHBondContact O-N 2.88Å; Q91-S95 VanDerWaalsContact O-CB 3.26Å; Q91-S95 WeakPolarHBondContact O-CB 3.31Å; Q91-S95 PolarHBondContact O-N 3.35Å; Q91-S95 VanDerWaalsContact O-N 3.16Å; Q91-S95 PolarHBondContact O-OG 3.31Å; Q91-S117 PolarHBondContact NE2-O 2.87Å; Q91-G118 VanDerWaalsContact CG-O 3.24Å; Q91-G118 WeakPolarHBondContact CG-O 3.36Å; Q91-G118 VanDerWaalsContact NE2-C 3.29Å; Q91-G118 PolarHBondContact NE2-O 3.47Å; Q91-Y122 HydrophobicContact CG-CE2 4.41Å; Q91-Y122 VanDerWaalsContact OE1-CZ 3.26Å; Q91-Y122 PolarHBondContact OE1-OH 2.93Å; Q91-L193 HydrophobicContact CB-CD1 4.39Å; Q91-L193 HydrophobicContact CB-CD2 4.22Å
92V94.2Very high83.6Confident50 Ų5046 Ų4630%0.30324%0.239SC..Hα-helixtrans-62.6-52.9177.2172.20000110.1S88 E89 F94 S95 D96S88-V92 WeakPolarHBondContact O-CG2 3.47Å; S88-V92 PolarHBondContact O-N 3.46Å; S88-V92 VanDerWaalsContact O-N 3.1Å; E89-V92 PolarHBondContact O-N 3.45Å; V92-F94 PolarHBondContact O-N 3.04Å; V92-S95 PolarHBondContact O-N 3.33Å; V92-D96 WeakPolarHBondContact O-CB 3.26Å; V92-D96 PolarHBondContact O-N 3.12Å
93A94.7Very high86.3Confident7 Ų744.6 Ų44.66%0.05824%0.243CC..Hα-helixtrans-58.7-47.2-176.400000113.1E89 E90 W97 F312 L325E89-A93 VanDerWaalsContact O-CB 3.28Å; E89-A93 WeakPolarHBondContact O-CB 3.42Å; E89-A93 PolarHBondContact O-N 2.71Å; E90-A93 PolarHBondContact O-N 3.34Å; A93-W97 WeakPolarHBondContact O-CB 3.14Å; A93-W97 PolarHBondContact O-N 3.13Å; A93-F312 WeakPolarHBondContact CB-O 3.2Å; A93-L325 HydrophobicContact CB-CD1 4.3Å; A93-L325 HydrophobicContact CB-CD2 3.57Å
94F96.5Very high88.9Confident0 Ų041.2 Ų41.20%025%0.251CS..Hα-helixtrans-72.2-33.9-178.7-56.8-20.9000111.9E90 V92 W97 I98 L193 L196 W197 I200 L325E90-F94 HydrophobicContact CB-CD2 4.34Å; E90-F94 HydrophobicContact CB-CE2 3.77Å; E90-F94 HydrophobicContact CB-CZ 4.01Å; E90-F94 HydrophobicContact CG-CE2 4.35Å; E90-F94 HydrophobicContact CG-CZ 4.2Å; E90-F94 WeakPolarHBondContact O-CB 3.37Å; E90-F94 VanDerWaalsContact O-CD2 3.23Å; E90-F94 WeakPolarHBondContact O-CD2 3.36Å; E90-F94 WeakPolarHBondContact O-CG 3.38Å; E90-F94 PolarHBondContact O-N 3.13Å; V92-F94 PolarHBondContact O-N 3.04Å; F94-W97 PolarHBondContact O-N 3.21Å; F94-I98 WeakPolarHBondContact O-CB 3.43Å; F94-I98 WeakPolarHBondContact O-CD1 3Å; F94-I98 WeakPolarHBondContact O-CG1 3.48Å; F94-I98 PolarHBondContact O-N 3.01Å; F94-L193 HydrophobicContact CD2-CD2 3.88Å; F94-L193 HydrophobicContact CE2-CB 4.49Å; F94-L193 HydrophobicContact CE2-CD2 4.43Å; F94-L196 HydrophobicContact CD2-CB 4.41Å; F94-W197 AromaticContact CE1-CE3 3.69Å; F94-W197 HydrophobicContact CE1-CE3 3.69Å; F94-W197 HydrophobicContact CE1-CZ3 4.35Å; F94-W197 HydrophobicContact CE2-CB 3.74Å; F94-W197 HydrophobicContact CZ-CB 3.67Å; F94-W197 HydrophobicContact CZ-CD2 4.08Å; F94-W197 AromaticContact CZ-CE3 3.68Å; F94-W197 HydrophobicContact CZ-CE3 3.68Å; F94-W197 HydrophobicContact CZ-CG 4.11Å; F94-I200 HydrophobicContact CB-CD1 4.02Å; F94-I200 HydrophobicContact CD1-CD1 3.84Å; F94-I200 HydrophobicContact CG-CD1 3.95Å; F94-L325 HydrophobicContact CE1-CD2 4.11Å
95S97Very high91Very high0 Ų039.6 Ų39.60%024%0.244CC..Hα-helixtrans-65.7-43.7176.3-59.80000111.7Q91 V92 I98 N99 G118Q91-S95 VanDerWaalsContact O-CB 3.26Å; Q91-S95 WeakPolarHBondContact O-CB 3.31Å; Q91-S95 PolarHBondContact O-N 3.35Å; Q91-S95 VanDerWaalsContact O-N 3.16Å; Q91-S95 PolarHBondContact O-OG 3.31Å; V92-S95 PolarHBondContact O-N 3.33Å; S95-I98 PolarHBondContact O-N 3.4Å; S95-N99 WeakPolarHBondContact O-CB 3.46Å; S95-N99 VanDerWaalsContact O-CG 3.28Å; S95-N99 PolarHBondContact O-N 2.93Å; S95-N99 PolarHBondContact O-ND2 3.28Å; S95-G118 WeakPolarHBondContact OG-CA 3.45Å
96D95.3Very high92.8Very high80 Ų8040 Ų4043%0.42824%0.243SC..Hα-helixtrans-63.9-43.3176.3-174.856.1000112V92 I98 N99 S100V92-D96 WeakPolarHBondContact O-CB 3.26Å; V92-D96 PolarHBondContact O-N 3.12Å; D96-I98 PolarHBondContact O-N 2.98Å; D96-N99 PolarHBondContact O-N 3.24Å; D96-S100 WeakPolarHBondContact O-CB 3.48Å; D96-S100 PolarHBondContact O-N 2.73Å; D96-S100 PolarHBondContact O-OG 3.42Å
97W95.3Very high94.2Very high16 Ų1641.8 Ų41.86%0.06125%0.252CS..Hα-helixtrans-64.4-41.6176.3-17186.7000112.3A93 F94 S100 N101 L134 L137 I200 F312A93-W97 WeakPolarHBondContact O-CB 3.14Å; A93-W97 PolarHBondContact O-N 3.13Å; F94-W97 PolarHBondContact O-N 3.21Å; W97-S100 PolarHBondContact O-N 3.32Å; W97-N101 HydrophobicContact CZ3-CB 4.49Å; W97-N101 PolarHBondContact NE1-ND2 3.36Å; W97-N101 PolarHBondContact O-N 2.92Å; W97-N101 PolarHBondContact O-ND2 3.19Å; W97-L134 HydrophobicContact CE3-CD1 4.21Å; W97-L134 HydrophobicContact CH2-CD1 3.93Å; W97-L134 HydrophobicContact CZ3-CD1 3.25Å; W97-L137 HydrophobicContact CH2-CD2 3.41Å; W97-L137 VanDerWaalsContact CH2-CD2 3.41Å; W97-L137 HydrophobicContact CH2-CG 4.22Å; W97-L137 HydrophobicContact CZ2-CD2 4.33Å; W97-L137 HydrophobicContact CZ3-CD2 3.66Å; W97-I200 HydrophobicContact CD2-CD1 4.42Å; W97-I200 HydrophobicContact CD2-CG1 4.42Å; W97-I200 HydrophobicContact CD2-CG2 4.41Å; W97-I200 HydrophobicContact CE3-CD1 3.91Å; W97-I200 HydrophobicContact CE3-CG1 3.83Å; W97-I200 HydrophobicContact CH2-CG1 4.25Å; W97-I200 HydrophobicContact CZ2-CG2 4.43Å; W97-I200 HydrophobicContact CZ3-CD1 4.37Å; W97-I200 HydrophobicContact CZ3-CG1 3.81Å; W97-F312 HydrophobicContact CB-CE1 3.96Å; W97-F312 HydrophobicContact CB-CZ 4.35Å; W97-F312 AromaticContact CD1-CE1 3.55Å; W97-F312 AromaticContact CD1-CE2 3.58Å; W97-F312 AromaticContact CD1-CZ 3.04Å; W97-F312 HydrophobicContact CD2-CE1 4.33Å; W97-F312 HydrophobicContact CD2-CZ 4.13Å; W97-F312 AromaticContact CE2-CZ 3.91Å; W97-F312 AromaticContact CG-CE1 3.66Å; W97-F312 HydrophobicContact CG-CE1 3.66Å; W97-F312 HydrophobicContact CG-CE2 4.47Å; W97-F312 AromaticContact CG-CZ 3.6Å; W97-F312 HydrophobicContact CG-CZ 3.6Å; W97-F312 AromaticContact NE1-CE2 3.78Å; W97-F312 AromaticContact NE1-CZ 3.24Å
98I97.8Very high95.2Very high0 Ų037.1 Ų37.10%024%0.235CC..Hα-helixtrans-61-46.9174.1-74.5164.9000110.4F94 S95 D96 S100 N101 L102 L112 L114 L121 I130 L196F94-I98 WeakPolarHBondContact O-CB 3.43Å; F94-I98 WeakPolarHBondContact O-CD1 3Å; F94-I98 WeakPolarHBondContact O-CG1 3.48Å; F94-I98 PolarHBondContact O-N 3.01Å; S95-I98 PolarHBondContact O-N 3.4Å; D96-I98 PolarHBondContact O-N 2.98Å; I98-S100 VanDerWaalsContact C-N 3.28Å; I98-S100 PolarHBondContact O-N 3.15Å; I98-N101 PolarHBondContact O-N 2.94Å; I98-L102 HydrophobicContact CG2-CD1 4.35Å; I98-L102 WeakPolarHBondContact O-CA 3.45Å; I98-L102 WeakPolarHBondContact O-CB 3.47Å; I98-L102 PolarHBondContact O-N 3.15Å; I98-L112 HydrophobicContact CG2-CD1 4.26Å; I98-L112 HydrophobicContact CG2-CD2 3.82Å; I98-L114 HydrophobicContact CB-CD1 4.23Å; I98-L114 HydrophobicContact CD1-CD1 4.36Å; I98-L114 HydrophobicContact CG2-CD1 3.99Å; I98-L121 HydrophobicContact CD1-CD1 4.06Å; I98-I130 HydrophobicContact CD1-CG2 4.14Å; I98-I130 HydrophobicContact CG2-CG2 4.17Å; I98-L196 HydrophobicContact CD1-CD1 4.27Å; I98-L196 HydrophobicContact CD1-CD2 4.44Å
99N97.4Very high95.6Very high32 Ų3243.8 Ų43.817%0.17125%0.254CS..Hα-helixtrans-57.7-43.1177.3-77-20.9000112S95 D96 G103 P113 L114S95-N99 WeakPolarHBondContact O-CB 3.46Å; S95-N99 VanDerWaalsContact O-CG 3.28Å; S95-N99 PolarHBondContact O-N 2.93Å; S95-N99 PolarHBondContact O-ND2 3.28Å; D96-N99 PolarHBondContact O-N 3.24Å; N99-G103 VanDerWaalsContact O-CA 3.26Å; N99-G103 WeakPolarHBondContact O-CA 3.17Å; N99-G103 PolarHBondContact O-N 3.33Å; N99-P113 VanDerWaalsContact OD1-CA 3.22Å; N99-P113 WeakPolarHBondContact OD1-CA 3.48Å; N99-L114 PolarHBondContact ND2-O 3.07Å; N99-L114 PolarHBondContact OD1-N 3.47Å
100S94.8Very high95.8Very high84 Ų8451.7 Ų51.759%0.58729%0.29SS*.Hα-helixtrans-69-36.2-176.6-60.10000113D96 W97 I98D96-S100 WeakPolarHBondContact O-CB 3.48Å; D96-S100 PolarHBondContact O-N 2.73Å; D96-S100 PolarHBondContact O-OG 3.42Å; W97-S100 PolarHBondContact O-N 3.32Å; I98-S100 VanDerWaalsContact C-N 3.28Å; I98-S100 PolarHBondContact O-N 3.15Å
101N95.7Very high96.1Very high79 Ų7952 Ų5242%0.42229%0.293SS..Hα-helixtrans-101.3-24.1-173.5-67.3-87.4000114.2W97 I98 L137W97-N101 HydrophobicContact CZ3-CB 4.49Å; W97-N101 PolarHBondContact NE1-ND2 3.36Å; W97-N101 PolarHBondContact O-N 2.92Å; W97-N101 PolarHBondContact O-ND2 3.19Å; I98-N101 PolarHBondContact O-N 2.94Å; N101-L137 HydrophobicContact CB-CD2 3.52Å
102L97.9Very high96.2Very high12 Ų1251.9 Ų51.96%0.06329%0.293CS..Hα-helixtrans-116.7-2.6-178-63.3-179.7000113.4I98 A104 D105 L108 L112 K133 L134 L137I98-L102 HydrophobicContact CG2-CD1 4.35Å; I98-L102 WeakPolarHBondContact O-CA 3.45Å; I98-L102 WeakPolarHBondContact O-CB 3.47Å; I98-L102 PolarHBondContact O-N 3.15Å; L102-A104 PolarHBondContact O-N 2.83Å; L102-A104 VanDerWaalsContact O-N 3.1Å; L102-D105 WeakPolarHBondContact O-CB 3.37Å; L102-D105 PolarHBondContact O-N 3.06Å; L102-L108 HydrophobicContact CB-CD1 3.86Å; L102-L108 HydrophobicContact CD1-CD1 4.11Å; L102-L108 HydrophobicContact CG-CD1 4.48Å; L102-L112 HydrophobicContact CB-CD1 3.78Å; L102-L112 WeakPolarHBondContact O-CD1 3.32Å; L102-K133 HydrophobicContact CD1-CB 4.13Å; L102-K133 HydrophobicContact CD2-CB 4.26Å; L102-L134 HydrophobicContact CD1-CB 4.22Å; L102-L137 HydrophobicContact CD2-CB 4.25Å; L102-L137 HydrophobicContact CD2-CD2 3.94Å; L102-L137 HydrophobicContact CG-CD2 4.12Å
103G96.5Very high96.4Very high44 Ų4454.1 Ų54.145%0.45431%0.308SS..THydrogen-bonded Turntrans-60.8-21.4-177.500000114.9N99N99-G103 VanDerWaalsContact O-CA 3.26Å; N99-G103 WeakPolarHBondContact O-CA 3.17Å; N99-G103 PolarHBondContact O-N 3.33Å
104A96.7Very high96.6Very high101 Ų10154 Ų5484%0.83531%0.307SS*.THydrogen-bonded Turntrans-88.1-8.2175.700000114L102 V106L102-A104 PolarHBondContact O-N 2.83Å; L102-A104 VanDerWaalsContact O-N 3.1Å; A104-V106 PolarHBondContact O-N 3.41Å
105D97.4Very high96.6Very high37 Ų3759 Ų5920%0.19833%0.328CS..  trans-67.6125.8-178-171.6-64.6000110.8L102 D107 L108 K133L102-D105 WeakPolarHBondContact O-CB 3.37Å; L102-D105 PolarHBondContact O-N 3.06Å; D105-D107 VanDerWaalsContact C-N 3.31Å; D105-D107 PolarHBondContact O-N 3Å; D105-D107 WeakPolarHBondContact OD1-CA 3.42Å; D105-D107 WeakPolarHBondContact OD1-CB 3.26Å; D105-D107 PolarHBondContact OD1-N 3.21Å; D105-L108 HydrophobicContact CB-CB 4.22Å; D105-L108 HydrophobicContact CB-CD1 4Å; D105-L108 HydrophobicContact CB-CG 4.05Å; D105-L108 PolarHBondContact O-N 2.96Å; D105-L108 PolarHBondContact OD1-N 3.43Å; D105-K133 IonicContact OD1-NZ 3.55Å; D105-K133 WeakPolarHBondContact OD2-CD 3.46Å; D105-K133 VanDerWaalsContact OD2-CE 3.31Å; D105-K133 WeakPolarHBondContact OD2-CE 3.28Å; D105-K133 IonicContact OD2-NZ 3.3Å; D105-K133 PolarHBondContact OD2-NZ 3.01Å
106V95.9Very high96.4Very high86 Ų8664.9 Ų64.952%0.52137%0.366SS..G310 helixtrans-64.5-33.6-175.857.10000113.1A104 L108 R109A104-V106 PolarHBondContact O-N 3.41Å; V106-L108 VanDerWaalsContact C-N 3.28Å; V106-R109 WeakPolarHBondContact O-CG 3.41Å
107D95.5Very high96.2Very high42 Ų4263.7 Ų63.723%0.22537%0.365CS..G310 helixtrans-77-21.2-178.3-61.4-35.9000111.3D105 K133 R150D105-D107 VanDerWaalsContact C-N 3.31Å; D105-D107 PolarHBondContact O-N 3Å; D105-D107 WeakPolarHBondContact OD1-CA 3.42Å; D105-D107 WeakPolarHBondContact OD1-CB 3.26Å; D105-D107 PolarHBondContact OD1-N 3.21Å; D107-K133 WeakPolarHBondContact OD2-CE 3.34Å; D107-K133 IonicContact OD2-NZ 2.69Å; D107-K133 PolarHBondContact OD2-NZ 3.18Å; D107-R150 HydrophobicContact CB-CG 4.49Å; D107-R150 VanDerWaalsContact OD1-CD 3.3Å; D107-R150 WeakPolarHBondContact OD1-CD 3.46Å; D107-R150 IonicContact OD1-NE 2.92Å; D107-R150 WeakPolarHBondContact OD2-CD 3.42Å; D107-R150 IonicContact OD2-CZ 2.76Å; D107-R150 IonicContact OD2-NE 3.16Å; D107-R150 PolarHBondContact OD2-NE 2.91Å; D107-R150 IonicContact OD2-NH2 3.91Å
108L97.4Very high96.2Very high1 Ų163 Ų631%0.00536%0.362CS..G310 helixtrans-96.21.8-178.2-58.5-177.1000114.2L102 D105 V106 Q110 L111 L112 L129 I130 K133L102-L108 HydrophobicContact CB-CD1 3.86Å; L102-L108 HydrophobicContact CD1-CD1 4.11Å; L102-L108 HydrophobicContact CG-CD1 4.48Å; D105-L108 HydrophobicContact CB-CB 4.22Å; D105-L108 HydrophobicContact CB-CD1 4Å; D105-L108 HydrophobicContact CB-CG 4.05Å; D105-L108 PolarHBondContact O-N 2.96Å; D105-L108 PolarHBondContact OD1-N 3.43Å; V106-L108 VanDerWaalsContact C-N 3.28Å; L108-Q110 PolarHBondContact O-N 3.38Å; L108-L111 HydrophobicContact CD2-CD1 4.02Å; L108-L111 CarbonylContact O-C 3.56Å; L108-L111 WeakPolarHBondContact O-CA 3.49Å; L108-L111 PolarHBondContact O-N 3.03Å; L108-L112 HydrophobicContact CB-CD1 3.85Å; L108-L112 HydrophobicContact CB-CG 4Å; L108-L112 HydrophobicContact CD1-CD1 3.76Å; L108-L112 HydrophobicContact CG-CD1 4.48Å; L108-L112 PolarHBondContact O-N 3.29Å; L108-L129 HydrophobicContact CD2-CB 3.69Å; L108-I130 HydrophobicContact CD2-CG1 4.03Å; L108-K133 HydrophobicContact CD1-CB 3.99Å; L108-K133 HydrophobicContact CD1-CG 3.99Å; L108-K133 HydrophobicContact CD2-CG 4.17Å; L108-K133 HydrophobicContact CG-CG 4.14Å
109R95.9Very high95.9Very high183 Ų18366.7 Ų66.769%0.69139%0.385SS*.THydrogen-bonded Turntrans-54.3-28.5-176.9-73.1179.3-177.6177.34.5115.3V106V106-R109 WeakPolarHBondContact O-CG 3.41Å
110Q94.4Very high95.9Very high193 Ų19365.3 Ų65.390%0.90238%0.377SS*.THydrogen-bonded Turntrans-86.2-16.2178.3-65.1-172.4-9.500113L108L108-Q110 PolarHBondContact O-N 3.38Å
111L96.8Very high96Very high25 Ų2561.3 Ų61.313%0.13135%0.349CS..THydrogen-bonded Turntrans-101.9-35.5-178.1-58.6174.3000111.1L108 K124 D127 L129 I130L108-L111 HydrophobicContact CD2-CD1 4.02Å; L108-L111 CarbonylContact O-C 3.56Å; L108-L111 WeakPolarHBondContact O-CA 3.49Å; L108-L111 PolarHBondContact O-N 3.03Å; L111-K124 HydrophobicContact CD2-CB 4.27Å; L111-K124 HydrophobicContact CD2-CG 4.26Å; L111-K124 WeakPolarHBondContact O-CD 3.5Å; L111-K124 WeakPolarHBondContact O-CE 3.25Å; L111-K124 PolarHBondContact O-NZ 3.09Å; L111-D127 WeakPolarHBondContact CD1-OD2 3.37Å; L111-L129 HydrophobicContact CD1-CB 3.97Å; L111-L129 HydrophobicContact CD1-CD1 4.14Å; L111-I130 HydrophobicContact CB-CD1 4.18Å; L111-I130 HydrophobicContact CB-CG1 4.46Å; L111-I130 HydrophobicContact CD1-CD1 4.35Å; L111-I130 HydrophobicContact CD1-CG1 4.02Å
112L97.7Very high96Very high17 Ų1759 Ų599%0.08934%0.335CS..PPolyproline II helixtrans-102.8145.5-177.4-60-175.9000112I98 L102 L108 L114 I130I98-L112 HydrophobicContact CG2-CD1 4.26Å; I98-L112 HydrophobicContact CG2-CD2 3.82Å; L102-L112 HydrophobicContact CB-CD1 3.78Å; L102-L112 WeakPolarHBondContact O-CD1 3.32Å; L108-L112 HydrophobicContact CB-CD1 3.85Å; L108-L112 HydrophobicContact CB-CG 4Å; L108-L112 HydrophobicContact CD1-CD1 3.76Å; L108-L112 HydrophobicContact CG-CD1 4.48Å; L108-L112 PolarHBondContact O-N 3.29Å; L112-L114 HydrophobicContact CD2-CD1 4.33Å; L112-L114 HydrophobicContact CD2-CD2 4.39Å; L112-L114 HydrophobicContact CD2-CG 3.78Å; L112-I130 HydrophobicContact CD2-CD1 4.2Å
113P97.9Very high95.9Very high98 Ų9864.3 Ų64.364%0.63636%0.359SS*.SBendcis-79.1151.93.332.5-35.2000113.5N99 K124N99-P113 VanDerWaalsContact OD1-CA 3.22Å; N99-P113 WeakPolarHBondContact OD1-CA 3.48Å; P113-K124 PolarHBondContact O-NZ 3.38Å
114L98Very high95.9Very high4 Ų464.2 Ų64.22%0.02135%0.346CS..PPolyproline II helixtrans-67.6150.4160.4-62.4172000109.6I98 N99 L112 L121 K124I98-L114 HydrophobicContact CB-CD1 4.23Å; I98-L114 HydrophobicContact CD1-CD1 4.36Å; I98-L114 HydrophobicContact CG2-CD1 3.99Å; N99-L114 PolarHBondContact ND2-O 3.07Å; N99-L114 PolarHBondContact OD1-N 3.47Å; L112-L114 HydrophobicContact CD2-CD1 4.33Å; L112-L114 HydrophobicContact CD2-CD2 4.39Å; L112-L114 HydrophobicContact CD2-CG 3.78Å; L114-L121 HydrophobicContact CD1-CD1 3.57Å; L114-L121 HydrophobicContact CD2-CD1 4.43Å; L114-K124 HydrophobicContact CD2-CB 4.1Å; L114-K124 HydrophobicContact CD2-CD 3.5Å; L114-K124 VanDerWaalsContact CD2-CD 3.5Å; L114-K124 HydrophobicContact CD2-CG 4.45Å
115K96.7Very high96Very high105 Ų10559.5 Ų59.546%0.45731%0.307SS..PPolyproline II helixtrans-61.5150.9176.3-68.7169.6-175.9167.30110S117 G118 V119 D120K115-S117 PolarHBondContact O-N 3.34Å; K115-S117 VanDerWaalsContact O-N 3.11Å; K115-G118 WeakPolarHBondContact O-CA 3.46Å; K115-G118 PolarHBondContact O-N 2.84Å; K115-V119 HydrophobicContact CD-CG2 3.92Å; K115-D120 VanDerWaalsContact CB-OD1 3.28Å; K115-D120 WeakPolarHBondContact CB-OD1 3.36Å; K115-D120 HydrophobicContact CD-CB 4.16Å; K115-D120 HydrophobicContact CG-CB 4.48Å; K115-D120 PolarHBondContact N-OD1 2.97Å; K115-D120 PolarHBondContact N-OD2 2.91Å
116P93Very high95.9Very high123 Ų12359.2 Ų59.280%0.79931%0.307SS*.THydrogen-bonded Turntrans-56.5-29.5176.4-27.335.2000114.1G118P116-G118 VanDerWaalsContact C-N 3.31Å
117S92.7Very high96Very high56 Ų5656 Ų5639%0.39229%0.287SS..THydrogen-bonded Turntrans-78.1-13.3174.259.40000113.8Q91 K115 V119Q91-S117 PolarHBondContact NE2-O 2.87Å; K115-S117 PolarHBondContact O-N 3.34Å; K115-S117 VanDerWaalsContact O-N 3.11Å; S117-V119 PolarHBondContact O-N 3.26Å; S117-V119 WeakPolarHBondContact OG-CG2 3.28Å
118G93.6Very high96.1Very high0 Ų054 Ų540%028%0.276CS..  trans699.4-177.300000115.6Q91 S95 K115 P116 D120 L121Q91-G118 VanDerWaalsContact CG-O 3.24Å; Q91-G118 WeakPolarHBondContact CG-O 3.36Å; Q91-G118 VanDerWaalsContact NE2-C 3.29Å; Q91-G118 PolarHBondContact NE2-O 3.47Å; S95-G118 WeakPolarHBondContact OG-CA 3.45Å; K115-G118 WeakPolarHBondContact O-CA 3.46Å; K115-G118 PolarHBondContact O-N 2.84Å; P116-G118 VanDerWaalsContact C-N 3.31Å; G118-D120 PolarHBondContact O-N 3.32Å; G118-L121 WeakPolarHBondContact O-CB 3.39Å; G118-L121 PolarHBondContact O-N 3.13Å
119V92.2Very high96.1Very high79 Ų7954.2 Ų54.248%0.47928%0.277SS..THydrogen-bonded Turntrans-66.4-24-174.1-64.50000113.8K115 S117 L121K115-V119 HydrophobicContact CD-CG2 3.92Å; S117-V119 PolarHBondContact O-N 3.26Å; S117-V119 WeakPolarHBondContact OG-CG2 3.28Å; V119-L121 VanDerWaalsContact C-N 3.34Å
120D96.5Very high96.3Very high3 Ų345.5 Ų45.52%0.01624%0.244CC..THydrogen-bonded Turntrans-87-0.8176.461.5-35.4000113.1K115 G118 Y122 E123 K124K115-D120 VanDerWaalsContact CB-OD1 3.28Å; K115-D120 WeakPolarHBondContact CB-OD1 3.36Å; K115-D120 HydrophobicContact CD-CB 4.16Å; K115-D120 HydrophobicContact CG-CB 4.48Å; K115-D120 PolarHBondContact N-OD1 2.97Å; K115-D120 PolarHBondContact N-OD2 2.91Å; G118-D120 PolarHBondContact O-N 3.32Å; D120-Y122 VanDerWaalsContact C-N 3.35Å; D120-Y122 PolarHBondContact O-N 3.09Å; D120-E123 HydrophobicContact CB-CG 4.12Å; D120-E123 WeakPolarHBondContact CB-OE1 3.43Å; D120-E123 WeakPolarHBondContact O-CG 3.35Å; D120-E123 PolarHBondContact O-N 3.19Å; D120-K124 HydrophobicContact CB-CD 4.17Å; D120-K124 WeakPolarHBondContact O-CB 3.5Å; D120-K124 WeakPolarHBondContact O-CG 3.35Å; D120-K124 PolarHBondContact O-N 3.35Å; D120-K124 VanDerWaalsContact O-N 3.16Å; D120-K124 WeakPolarHBondContact OD2-CD 3.37Å; D120-K124 VanDerWaalsContact OD2-CE 3.23Å; D120-K124 WeakPolarHBondContact OD2-CE 3.42Å; D120-K124 IonicContact OD2-NZ 2.66Å; D120-K124 PolarHBondContact OD2-NZ 2.93Å
121L97.4Very high96.5Very high0 Ų036.4 Ų36.40%020%0.201CC..Hα-helixtrans-56.5-49.1178.3175.864.4000111.4I98 L114 G118 V119 E123 K124 V125 V192 L193 L196I98-L121 HydrophobicContact CD1-CD1 4.06Å; L114-L121 HydrophobicContact CD1-CD1 3.57Å; L114-L121 HydrophobicContact CD2-CD1 4.43Å; G118-L121 WeakPolarHBondContact O-CB 3.39Å; G118-L121 PolarHBondContact O-N 3.13Å; V119-L121 VanDerWaalsContact C-N 3.34Å; L121-E123 VanDerWaalsContact C-N 3.33Å; L121-E123 PolarHBondContact O-N 3.23Å; L121-K124 PolarHBondContact O-N 3.33Å; L121-V125 HydrophobicContact CD1-CG1 3.79Å; L121-V125 HydrophobicContact CG-CG1 4.42Å; L121-V125 WeakPolarHBondContact O-CG1 3.47Å; L121-V125 WeakPolarHBondContact O-CG2 3.49Å; L121-V125 PolarHBondContact O-N 3.3Å; L121-V125 VanDerWaalsContact O-N 3.09Å; L121-V192 HydrophobicContact CG-CG1 4.46Å; L121-L193 HydrophobicContact CD2-CD2 3.77Å; L121-L196 HydrophobicContact CD1-CD1 3.9Å; L121-L196 HydrophobicContact CD2-CD1 3.76Å; L121-L196 HydrophobicContact CG-CD1 4.17Å
122Y95.9Very high96.6Very high29 Ų2935.2 Ų35.211%0.11420%0.195CC..Hα-helixtrans-66.8-32.6-172.5-50.2-59000113.7Q91 D120 V126 G187 P189 V192 L193Q91-Y122 HydrophobicContact CG-CE2 4.41Å; Q91-Y122 VanDerWaalsContact OE1-CZ 3.26Å; Q91-Y122 PolarHBondContact OE1-OH 2.93Å; D120-Y122 VanDerWaalsContact C-N 3.35Å; D120-Y122 PolarHBondContact O-N 3.09Å; Y122-V126 WeakPolarHBondContact O-CG1 3.4Å; Y122-G187 WeakPolarHBondContact CB-O 3.28Å; Y122-P189 HydrophobicContact CD1-CB 4.03Å; Y122-P189 HydrophobicContact CD1-CG 4.18Å; Y122-P189 HydrophobicContact CD2-CB 4.43Å; Y122-P189 HydrophobicContact CD2-CG 4.07Å; Y122-P189 VanDerWaalsContact CE1-CA 3.44Å; Y122-P189 HydrophobicContact CE1-CB 3.6Å; Y122-P189 HydrophobicContact CE1-CG 4.19Å; Y122-P189 HydrophobicContact CE2-CB 4.01Å; Y122-P189 HydrophobicContact CE2-CG 4.05Å; Y122-P189 HydrophobicContact CG-CB 4.42Å; Y122-P189 HydrophobicContact CG-CG 4.12Å; Y122-V192 HydrophobicContact CD1-CB 3.96Å; Y122-V192 HydrophobicContact CD1-CG1 3.91Å; Y122-V192 HydrophobicContact CD1-CG2 4.34Å; Y122-V192 HydrophobicContact CE1-CB 4.29Å; Y122-V192 HydrophobicContact CE1-CG1 4.26Å; Y122-L193 HydrophobicContact CE1-CD2 4.19Å; Y122-L193 HydrophobicContact CE1-CG 3.99Å; Y122-L193 WeakPolarHBondContact OH-CD1 3.38Å
123E96.1Very high96.6Very high125 Ų12535 Ų3558%0.58419%0.194SC*.Hα-helixtrans-78.3-29.7176.258176.3-168.100112D120 L121 V126D120-E123 HydrophobicContact CB-CG 4.12Å; D120-E123 WeakPolarHBondContact CB-OE1 3.43Å; D120-E123 WeakPolarHBondContact O-CG 3.35Å; D120-E123 PolarHBondContact O-N 3.19Å; L121-E123 VanDerWaalsContact C-N 3.33Å; L121-E123 PolarHBondContact O-N 3.23Å; E123-V126 VanDerWaalsContact O-CG2 3.27Å; E123-V126 WeakPolarHBondContact O-CG2 3.33Å
124K97.3Very high96.6Very high42 Ų4230.3 Ų30.318%0.18316%0.163CC..Hα-helixtrans-87.2-16-176.7-76.1171.5165.2-172.90114.5L111 P113 L114 D120 L121 I130L111-K124 HydrophobicContact CD2-CB 4.27Å; L111-K124 HydrophobicContact CD2-CG 4.26Å; L111-K124 WeakPolarHBondContact O-CD 3.5Å; L111-K124 WeakPolarHBondContact O-CE 3.25Å; L111-K124 PolarHBondContact O-NZ 3.09Å; P113-K124 PolarHBondContact O-NZ 3.38Å; L114-K124 HydrophobicContact CD2-CB 4.1Å; L114-K124 HydrophobicContact CD2-CD 3.5Å; L114-K124 VanDerWaalsContact CD2-CD 3.5Å; L114-K124 HydrophobicContact CD2-CG 4.45Å; D120-K124 HydrophobicContact CB-CD 4.17Å; D120-K124 WeakPolarHBondContact O-CB 3.5Å; D120-K124 WeakPolarHBondContact O-CG 3.35Å; D120-K124 PolarHBondContact O-N 3.35Å; D120-K124 VanDerWaalsContact O-N 3.16Å; D120-K124 WeakPolarHBondContact OD2-CD 3.37Å; D120-K124 VanDerWaalsContact OD2-CE 3.23Å; D120-K124 WeakPolarHBondContact OD2-CE 3.42Å; D120-K124 IonicContact OD2-NZ 2.66Å; D120-K124 PolarHBondContact OD2-NZ 2.93Å; L121-K124 PolarHBondContact O-N 3.33Å; K124-I130 HydrophobicContact CB-CD1 4.08Å
125V97.2Very high96.7Very high1 Ų130.1 Ų30.11%0.00616%0.162CC..SBendtrans-86.4-12.4175.9-64.60000113.9L121 D127 G128 I130 I131 V192L121-V125 HydrophobicContact CD1-CG1 3.79Å; L121-V125 HydrophobicContact CG-CG1 4.42Å; L121-V125 WeakPolarHBondContact O-CG1 3.47Å; L121-V125 WeakPolarHBondContact O-CG2 3.49Å; L121-V125 PolarHBondContact O-N 3.3Å; L121-V125 VanDerWaalsContact O-N 3.09Å; V125-D127 PolarHBondContact O-N 2.96Å; V125-D127 VanDerWaalsContact O-N 3.13Å; V125-G128 PolarHBondContact O-N 3.4Å; V125-I130 HydrophobicContact CG1-CB 4.21Å; V125-I130 HydrophobicContact CG1-CD1 4.22Å; V125-I130 HydrophobicContact CG1-CG2 4.18Å; V125-I131 HydrophobicContact CB-CD1 4.3Å; V125-I131 HydrophobicContact CB-CG1 4.27Å; V125-V192 HydrophobicContact CG1-CG1 4.5Å; V125-V192 HydrophobicContact CG2-CG1 3.84Å; V125-V192 HydrophobicContact CG2-CG2 3.91Å
126V97Very high96.7Very high31 Ų3126.1 Ų26.119%0.18815%0.146CC..THydrogen-bonded Turntrans-69.3-10.8-170.1-52.50000114.6Y122 E123 L162Y122-V126 WeakPolarHBondContact O-CG1 3.4Å; E123-V126 VanDerWaalsContact O-CG2 3.27Å; E123-V126 WeakPolarHBondContact O-CG2 3.33Å; V126-L162 WeakPolarHBondContact O-CD1 3.41Å
127D96.6Very high97Very high19 Ų1923.5 Ų23.510%0.10213%0.125CC..THydrogen-bonded Turntrans-91.2-4.1172.468.711.6000113.5L111 V125 L129 L153 R158 N161L111-D127 WeakPolarHBondContact CD1-OD2 3.37Å; V125-D127 PolarHBondContact O-N 2.96Å; V125-D127 VanDerWaalsContact O-N 3.13Å; D127-L129 VanDerWaalsContact C-N 3.26Å; D127-L129 PolarHBondContact O-N 3.04Å; D127-L129 WeakPolarHBondContact OD1-CB 3.43Å; D127-L129 PolarHBondContact OD1-N 2.91Å; D127-L153 HydrophobicContact CB-CD1 3.84Å; D127-R158 HydrophobicContact CB-CG 3.97Å; D127-N161 WeakPolarHBondContact O-CB 3.36Å; D127-N161 PolarHBondContact O-ND2 3.36Å
128G98Very high97.2Very high0 Ų020.9 Ų20.90%011%0.106CC..SBendtrans76.8-6179.300000115.8V125 I131 C132V125-G128 PolarHBondContact O-N 3.4Å; G128-I131 PolarHBondContact O-N 2.89Å; G128-C132 WeakPolarHBondContact O-CB 3.23Å; G128-C132 PolarHBondContact O-N 3.32Å; G128-C132 PolarHBondContact O-SG 3.3Å; G128-C132 VanDerWaalsContact O-SG 3.34Å
129L98.3Very high97.4Very high6 Ų622.1 Ų22.13%0.03111%0.114CC..Hα-helixtrans-64-51.1-174.4-75.1176.4000112.2L108 L111 D127 I131 C132 K133 I148 N149 L153L108-L129 HydrophobicContact CD2-CB 3.69Å; L111-L129 HydrophobicContact CD1-CB 3.97Å; L111-L129 HydrophobicContact CD1-CD1 4.14Å; D127-L129 VanDerWaalsContact C-N 3.26Å; D127-L129 PolarHBondContact O-N 3.04Å; D127-L129 WeakPolarHBondContact OD1-CB 3.43Å; D127-L129 PolarHBondContact OD1-N 2.91Å; L129-I131 VanDerWaalsContact C-N 3.27Å; L129-I131 PolarHBondContact O-N 3.04Å; L129-C132 PolarHBondContact O-N 3.27Å; L129-K133 WeakPolarHBondContact O-CG 3.46Å; L129-K133 PolarHBondContact O-N 2.88Å; L129-I148 HydrophobicContact CD2-CG2 3.51Å; L129-N149 WeakPolarHBondContact CD2-O 3.31Å; L129-L153 HydrophobicContact CD1-CD1 3.98Å; L129-L153 HydrophobicContact CG-CD1 4.29Å
130I98.5Very high97.6Very high0 Ų022.8 Ų22.80%012%0.12CC..Hα-helixtrans-56.8-44178.6-67.6175.2000110.5I98 L108 L111 L112 K124 V125 K133 L134I98-I130 HydrophobicContact CD1-CG2 4.14Å; I98-I130 HydrophobicContact CG2-CG2 4.17Å; L108-I130 HydrophobicContact CD2-CG1 4.03Å; L111-I130 HydrophobicContact CB-CD1 4.18Å; L111-I130 HydrophobicContact CB-CG1 4.46Å; L111-I130 HydrophobicContact CD1-CD1 4.35Å; L111-I130 HydrophobicContact CD1-CG1 4.02Å; L112-I130 HydrophobicContact CD2-CD1 4.2Å; K124-I130 HydrophobicContact CB-CD1 4.08Å; V125-I130 HydrophobicContact CG1-CB 4.21Å; V125-I130 HydrophobicContact CG1-CD1 4.22Å; V125-I130 HydrophobicContact CG1-CG2 4.18Å; I130-K133 PolarHBondContact O-N 3.46Å; I130-L134 WeakPolarHBondContact O-CB 3.15Å; I130-L134 PolarHBondContact O-N 3.05Å
131I98.6Very high97.5Very high1 Ų128.4 Ų28.41%0.00515%0.146CC..Hα-helixtrans-67.6-44.4-177.2-50.5178.1000110.6V125 G128 L129 K133 L134 I135 L162 A165 L184 L195 L196 I199V125-I131 HydrophobicContact CB-CD1 4.3Å; V125-I131 HydrophobicContact CB-CG1 4.27Å; G128-I131 PolarHBondContact O-N 2.89Å; L129-I131 VanDerWaalsContact C-N 3.27Å; L129-I131 PolarHBondContact O-N 3.04Å; I131-K133 PolarHBondContact O-N 3.43Å; I131-L134 PolarHBondContact O-N 2.85Å; I131-I135 HydrophobicContact CG2-CD1 4.1Å; I131-I135 VanDerWaalsContact O-CG1 3.29Å; I131-I135 WeakPolarHBondContact O-CG1 3.45Å; I131-I135 PolarHBondContact O-N 2.94Å; I131-L162 HydrophobicContact CD1-CD2 4.27Å; I131-A165 HydrophobicContact CB-CB 4.02Å; I131-A165 HydrophobicContact CG2-CB 3.76Å; I131-L184 HydrophobicContact CD1-CD1 4.08Å; I131-L195 HydrophobicContact CD1-CD2 4.42Å; I131-L195 HydrophobicContact CG2-CD2 4.13Å; I131-L196 HydrophobicContact CG1-CD2 4.44Å; I131-I199 HydrophobicContact CG2-CD1 3.84Å
132C98.8Very high97.6Very high0 Ų029.2 Ų29.20%015%0.151CC..Hα-helixtrans-59.2-47.1176.1-73.70000112G128 L129 L134 I135 N136 I143 I148G128-C132 WeakPolarHBondContact O-CB 3.23Å; G128-C132 PolarHBondContact O-N 3.32Å; G128-C132 PolarHBondContact O-SG 3.3Å; G128-C132 VanDerWaalsContact O-SG 3.34Å; L129-C132 PolarHBondContact O-N 3.27Å; C132-L134 VanDerWaalsContact C-N 3.34Å; C132-L134 PolarHBondContact O-N 3.2Å; C132-I135 PolarHBondContact O-N 3.2Å; C132-N136 PolarHBondContact O-N 2.65Å; C132-N136 VanDerWaalsContact O-N 3.15Å; C132-I143 HydrophobicContact CB-CD1 3.88Å; C132-I148 HydrophobicContact CB-CD1 3.93Å; C132-I148 HydrophobicContact CB-CG1 4.39Å
133K98.6Very high97.7Very high12 Ų1227.9 Ų27.95%0.05215%0.146CC..Hα-helixtrans-65.7-38.8178.7-65.5-62.3-168.8164.30112.1L102 D105 D107 L108 L129 I130 I131 I135 N136 L137 E145L102-K133 HydrophobicContact CD1-CB 4.13Å; L102-K133 HydrophobicContact CD2-CB 4.26Å; D105-K133 IonicContact OD1-NZ 3.55Å; D105-K133 WeakPolarHBondContact OD2-CD 3.46Å; D105-K133 VanDerWaalsContact OD2-CE 3.31Å; D105-K133 WeakPolarHBondContact OD2-CE 3.28Å; D105-K133 IonicContact OD2-NZ 3.3Å; D105-K133 PolarHBondContact OD2-NZ 3.01Å; D107-K133 WeakPolarHBondContact OD2-CE 3.34Å; D107-K133 IonicContact OD2-NZ 2.69Å; D107-K133 PolarHBondContact OD2-NZ 3.18Å; L108-K133 HydrophobicContact CD1-CB 3.99Å; L108-K133 HydrophobicContact CD1-CG 3.99Å; L108-K133 HydrophobicContact CD2-CG 4.17Å; L108-K133 HydrophobicContact CG-CG 4.14Å; L129-K133 WeakPolarHBondContact O-CG 3.46Å; L129-K133 PolarHBondContact O-N 2.88Å; I130-K133 PolarHBondContact O-N 3.46Å; I131-K133 PolarHBondContact O-N 3.43Å; K133-I135 VanDerWaalsContact C-N 3.32Å; K133-I135 PolarHBondContact O-N 2.95Å; K133-N136 PolarHBondContact O-N 3.47Å; K133-L137 WeakPolarHBondContact O-CB 3.46Å; K133-L137 PolarHBondContact O-N 3.28Å; K133-E145 VanDerWaalsContact NZ-CD 3.3Å; K133-E145 IonicContact NZ-OE1 2.68Å; K133-E145 PolarHBondContact NZ-OE1 3.34Å; K133-E145 IonicContact NZ-OE2 3.16Å; K133-E145 PolarHBondContact NZ-OE2 3.29Å
134L98.6Very high97.8Very high0 Ų022.8 Ų22.80%012%0.123CC..Hα-helixtrans-62.6-38.1175.1-179.360.7000112.5W97 L102 I130 I131 C132 L137 A138 L196 I199 I200W97-L134 HydrophobicContact CE3-CD1 4.21Å; W97-L134 HydrophobicContact CH2-CD1 3.93Å; W97-L134 HydrophobicContact CZ3-CD1 3.25Å; L102-L134 HydrophobicContact CD1-CB 4.22Å; I130-L134 WeakPolarHBondContact O-CB 3.15Å; I130-L134 PolarHBondContact O-N 3.05Å; I131-L134 PolarHBondContact O-N 2.85Å; C132-L134 VanDerWaalsContact C-N 3.34Å; C132-L134 PolarHBondContact O-N 3.2Å; L134-L137 HydrophobicContact CD1-CD2 4.4Å; L134-L137 PolarHBondContact O-N 3.1Å; L134-A138 WeakPolarHBondContact O-CB 3.4Å; L134-A138 PolarHBondContact O-N 2.93Å; L134-L196 HydrophobicContact CD2-CB 4.44Å; L134-L196 HydrophobicContact CD2-CD2 3.36Å; L134-L196 HydrophobicContact CD2-CG 4.47Å; L134-I199 HydrophobicContact CD1-CG2 4.49Å; L134-I199 HydrophobicContact CD2-CB 4.25Å; L134-I199 HydrophobicContact CD2-CD1 4.35Å; L134-I199 HydrophobicContact CD2-CG2 4.24Å; L134-I199 HydrophobicContact CG-CB 4.25Å; L134-I199 HydrophobicContact CG-CG2 3.7Å; L134-I200 HydrophobicContact CD1-CG1 4.12Å; L134-I200 HydrophobicContact CD2-CG1 4.31Å
135I98.7Very high97.8Very high0 Ų023.7 Ų23.70%013%0.127CC..Hα-helixtrans-63.2-46.2174.3-72162.8000110.7I131 C132 K133 L137 A138 V139 T142 I143 A165 A169 I172 I199I131-I135 HydrophobicContact CG2-CD1 4.1Å; I131-I135 VanDerWaalsContact O-CG1 3.29Å; I131-I135 WeakPolarHBondContact O-CG1 3.45Å; I131-I135 PolarHBondContact O-N 2.94Å; C132-I135 PolarHBondContact O-N 3.2Å; K133-I135 VanDerWaalsContact C-N 3.32Å; K133-I135 PolarHBondContact O-N 2.95Å; I135-L137 VanDerWaalsContact C-N 3.29Å; I135-L137 PolarHBondContact O-N 2.98Å; I135-A138 PolarHBondContact O-N 3.5Å; I135-V139 PolarHBondContact O-N 3.25Å; I135-T142 HydrophobicContact CG2-CG2 3.57Å; I135-I143 HydrophobicContact CB-CD1 4.07Å; I135-I143 HydrophobicContact CD1-CD1 4.07Å; I135-I143 HydrophobicContact CG2-CD1 3.95Å; I135-I143 HydrophobicContact CG2-CG1 4.25Å; I135-A165 HydrophobicContact CD1-CB 4.26Å; I135-A165 VanDerWaalsContact CD1-O 3.23Å; I135-A165 WeakPolarHBondContact CD1-O 3.19Å; I135-A169 HydrophobicContact CD1-CB 4.03Å; I135-I172 HydrophobicContact CG2-CD1 4.31Å; I135-I199 HydrophobicContact CD1-CD1 4.34Å; I135-I199 HydrophobicContact CG1-CD1 3.82Å; I135-I199 HydrophobicContact CG1-CG1 4.19Å; I135-I199 HydrophobicContact CG1-CG2 4.12Å
136N98.4Very high97.8Very high22 Ų2226.9 Ų26.912%0.11814%0.139CC..Hα-helixtrans-65.3-32.1176.6-81.7-8.2000112.7C132 K133 V139 P140 T142 I143 E145C132-N136 PolarHBondContact O-N 2.65Å; C132-N136 VanDerWaalsContact O-N 3.15Å; K133-N136 PolarHBondContact O-N 3.47Å; N136-V139 CarbonylContact O-C 3.48Å; N136-P140 VanDerWaalsContact O-CA 3.24Å; N136-P140 WeakPolarHBondContact O-CA 3.38Å; N136-T142 PolarHBondContact OD1-N 3.11Å; N136-I143 PolarHBondContact ND2-O 3.11Å; N136-I143 WeakPolarHBondContact OD1-CB 3.47Å; N136-I143 PolarHBondContact OD1-N 3.48Å; N136-I143 PolarHBondContact OD1-O 2.96Å; N136-E145 PolarHBondContact ND2-OE1 2.9Å; N136-E145 VanDerWaalsContact ND2-OE1 3.12Å
137L97.5Very high97.9Very high67 Ų6725.4 Ų25.435%0.35113%0.13SC..Hα-helixtrans-67.1-42.4172.2179.866.3000111.7W97 N101 L102 K133 L134 I135W97-L137 HydrophobicContact CH2-CD2 3.41Å; W97-L137 VanDerWaalsContact CH2-CD2 3.41Å; W97-L137 HydrophobicContact CH2-CG 4.22Å; W97-L137 HydrophobicContact CZ2-CD2 4.33Å; W97-L137 HydrophobicContact CZ3-CD2 3.66Å; N101-L137 HydrophobicContact CB-CD2 3.52Å; L102-L137 HydrophobicContact CD2-CB 4.25Å; L102-L137 HydrophobicContact CD2-CD2 3.94Å; L102-L137 HydrophobicContact CG-CD2 4.12Å; K133-L137 WeakPolarHBondContact O-CB 3.46Å; K133-L137 PolarHBondContact O-N 3.28Å; L134-L137 HydrophobicContact CD1-CD2 4.4Å; L134-L137 PolarHBondContact O-N 3.1Å; I135-L137 VanDerWaalsContact C-N 3.29Å; I135-L137 PolarHBondContact O-N 2.98Å
138A97.6Very high97.9Very high1 Ų124.8 Ų24.81%0.00813%0.127CC..Hα-helixtrans-73-38179.900000113.1L134 I135 I199 N206L134-A138 WeakPolarHBondContact O-CB 3.4Å; L134-A138 PolarHBondContact O-N 2.93Å; I135-A138 PolarHBondContact O-N 3.5Å; A138-I199 HydrophobicContact CB-CG2 3.62Å; A138-I199 WeakPolarHBondContact CB-O 3.49Å; A138-N206 PolarHBondContact O-ND2 3.26Å
139V96.8Very high97.9Very high27 Ų2726.3 Ų26.316%0.16414%0.136CC..SBendtrans-140.7101.5175.5-176.60000108I135 N136 T142 I172 I202I135-V139 PolarHBondContact O-N 3.25Å; N136-V139 CarbonylContact O-C 3.48Å; V139-T142 VanDerWaalsContact CB-OG1 3.3Å; V139-T142 WeakPolarHBondContact CB-OG1 3.26Å; V139-T142 VanDerWaalsContact CG1-OG1 3.28Å; V139-T142 WeakPolarHBondContact CG1-OG1 3.45Å; V139-T142 WeakPolarHBondContact O-CB 3.36Å; V139-T142 PolarHBondContact O-N 3.4Å; V139-T142 PolarHBondContact O-OG1 3.4Å; V139-I172 HydrophobicContact CB-CG2 3.97Å; V139-I172 HydrophobicContact CG1-CG2 4.29Å; V139-I172 HydrophobicContact CG2-CB 4.11Å; V139-I172 HydrophobicContact CG2-CD1 4.39Å; V139-I172 HydrophobicContact CG2-CG2 3.94Å; V139-I202 HydrophobicContact CG2-CG2 3.83Å
140P96.5Very high97.8Very high92 Ų9229.9 Ų29.960%0.59715%0.148SC*.THydrogen-bonded Turntrans-51.6146.7-179-29.536.2000113N136 T142N136-P140 VanDerWaalsContact O-CA 3.24Å; N136-P140 WeakPolarHBondContact O-CA 3.38Å; P140-T142 PolarHBondContact O-N 2.87Å; P140-T142 VanDerWaalsContact O-N 3.08Å
141E95.8Very high97.4Very high122 Ų12238.3 Ų38.357%0.5719%0.185SC*.THydrogen-bonded Turntrans61.613176.1-55.6-68.1106.700115.5K546E141-K546 IonicContact OE2-NZ 2.6Å; E141-K546 PolarHBondContact OE2-NZ 2.9Å
142T98.1Very high96.9Very high17 Ų1746 Ų4610%0.10423%0.226CC..SBendtrans-64.9-43177-65.10000112I135 N136 V139 P140 I172 R553I135-T142 HydrophobicContact CG2-CG2 3.57Å; N136-T142 PolarHBondContact OD1-N 3.11Å; V139-T142 VanDerWaalsContact CB-OG1 3.3Å; V139-T142 WeakPolarHBondContact CB-OG1 3.26Å; V139-T142 VanDerWaalsContact CG1-OG1 3.28Å; V139-T142 WeakPolarHBondContact CG1-OG1 3.45Å; V139-T142 WeakPolarHBondContact O-CB 3.36Å; V139-T142 PolarHBondContact O-N 3.4Å; V139-T142 PolarHBondContact O-OG1 3.4Å; P140-T142 PolarHBondContact O-N 2.87Å; P140-T142 VanDerWaalsContact O-N 3.08Å; T142-I172 HydrophobicContact CG2-CG2 3.53Å; T142-R553 PolarHBondContact O-NH1 3.32Å
143I98.7Very high96.7Very high1 Ų147.4 Ų47.41%0.00523%0.233CC..SBendtrans-111.7119.5175.8-63.7169.2000107.5C132 I135 N136 E145 I148 L164 S168C132-I143 HydrophobicContact CB-CD1 3.88Å; I135-I143 HydrophobicContact CB-CD1 4.07Å; I135-I143 HydrophobicContact CD1-CD1 4.07Å; I135-I143 HydrophobicContact CG2-CD1 3.95Å; I135-I143 HydrophobicContact CG2-CG1 4.25Å; N136-I143 PolarHBondContact ND2-O 3.11Å; N136-I143 WeakPolarHBondContact OD1-CB 3.47Å; N136-I143 PolarHBondContact OD1-N 3.48Å; N136-I143 PolarHBondContact OD1-O 2.96Å; I143-E145 PolarHBondContact O-N 3.39Å; I143-I148 HydrophobicContact CG2-CD1 3.85Å; I143-I148 HydrophobicContact CG2-CG1 3.68Å; I143-L164 HydrophobicContact CD1-CG 4.39Å; I143-L164 HydrophobicContact CG1-CD1 4.42Å; I143-L164 HydrophobicContact CG2-CD1 4.23Å; I143-L164 HydrophobicContact CG2-CD2 3.78Å; I143-L164 HydrophobicContact CG2-CG 4.13Å; I143-S168 VanDerWaalsContact CG1-OG 3.24Å; I143-S168 WeakPolarHBondContact CG1-OG 3.41Å
144D98.4Very high96.5Very high17 Ų1750.6 Ų50.69%0.09125%0.251CS..  trans-62.1120.5167.5-167.1-49.7000109.3R146 A147 Y547 S550D144-R146 PolarHBondContact O-N 3.11Å; D144-R146 WeakPolarHBondContact OD1-CB 3.35Å; D144-R146 WeakPolarHBondContact OD1-CG 3.37Å; D144-R146 IonicContact OD1-CZ 3.03Å; D144-R146 PolarHBondContact OD1-N 3.5Å; D144-R146 IonicContact OD1-NE 3.74Å; D144-R146 PolarHBondContact OD1-NE 3.46Å; D144-R146 IonicContact OD1-NH2 2.77Å; D144-R146 IonicContact OD2-CZ 3.89Å; D144-R146 IonicContact OD2-NE 2.8Å; D144-R146 PolarHBondContact OD2-NE 3.28Å; D144-R146 IonicContact OD2-NH2 3.71Å; D144-R146 PolarHBondContact OD2-NH2 2.88Å; D144-A147 WeakPolarHBondContact O-CB 3.25Å; D144-A147 PolarHBondContact O-N 2.89Å; D144-Y547 WeakPolarHBondContact OD2-CA 2.9Å; D144-Y547 PolarHBondContact OD2-N 2.67Å; D144-S550 VanDerWaalsContact CB-OG 3.28Å; D144-S550 WeakPolarHBondContact CB-OG 3.18Å; D144-S550 PolarHBondContact N-OG 3.29Å
145E97.7Very high96.3Very high61 Ų6156.2 Ų56.229%0.28529%0.286SS..G310 helixtrans-52.2-32.7179.3-77.5-66.7148.200111.5K133 N136 I143 A147 I148 R150K133-E145 VanDerWaalsContact NZ-CD 3.3Å; K133-E145 IonicContact NZ-OE1 2.68Å; K133-E145 PolarHBondContact NZ-OE1 3.34Å; K133-E145 IonicContact NZ-OE2 3.16Å; K133-E145 PolarHBondContact NZ-OE2 3.29Å; N136-E145 PolarHBondContact ND2-OE1 2.9Å; N136-E145 VanDerWaalsContact ND2-OE1 3.12Å; I143-E145 PolarHBondContact O-N 3.39Å; E145-A147 PolarHBondContact O-N 2.98Å; E145-I148 PolarHBondContact O-N 3.44Å; E145-R150 VanDerWaalsContact C-NH2 3.25Å; E145-R150 VanDerWaalsContact CB-NH2 3.31Å; E145-R150 PolarHBondContact O-NH1 3.2Å; E145-R150 PolarHBondContact O-NH2 3.45Å; E145-R150 IonicContact OE2-CZ 3.04Å; E145-R150 IonicContact OE2-NH2 2.71Å; E145-R150 PolarHBondContact OE2-NH2 2.97Å
146R97.4Very high96.1Very high68 Ų6862.8 Ų62.826%0.25731%0.312SS..G310 helixtrans-64.9-21.5178.1-63.5172.8-68.9179-6.5113.7D144 L531 D543 Y547D144-R146 PolarHBondContact O-N 3.11Å; D144-R146 WeakPolarHBondContact OD1-CB 3.35Å; D144-R146 WeakPolarHBondContact OD1-CG 3.37Å; D144-R146 IonicContact OD1-CZ 3.03Å; D144-R146 PolarHBondContact OD1-N 3.5Å; D144-R146 IonicContact OD1-NE 3.74Å; D144-R146 PolarHBondContact OD1-NE 3.46Å; D144-R146 IonicContact OD1-NH2 2.77Å; D144-R146 IonicContact OD2-CZ 3.89Å; D144-R146 IonicContact OD2-NE 2.8Å; D144-R146 PolarHBondContact OD2-NE 3.28Å; D144-R146 IonicContact OD2-NH2 3.71Å; D144-R146 PolarHBondContact OD2-NH2 2.88Å; R146-L531 HydrophobicContact CB-CD1 3.95Å; R146-L531 HydrophobicContact CG-CD1 4.23Å; R146-L531 PolarHBondContact NH1-O 3.47Å; R146-L531 VanDerWaalsContact NH1-O 3.08Å; R146-D543 PolarHBondContact NH2-O 2.86Å; R146-Y547 HydrophobicContact CB-CD2 3.94Å; R146-Y547 HydrophobicContact CB-CE2 3.95Å
147A98Very high96Very high0 Ų063 Ų630%031%0.314CS..G310 helixtrans-79.9-19.2178.300000113.2D144 E145 L164 M551 K554D144-A147 WeakPolarHBondContact O-CB 3.25Å; D144-A147 PolarHBondContact O-N 2.89Å; E145-A147 PolarHBondContact O-N 2.98Å; A147-L164 HydrophobicContact CB-CD2 4Å; A147-M551 HydrophobicContact CB-SD 3.66Å; A147-K554 WeakPolarHBondContact O-CD 3.49Å; A147-K554 WeakPolarHBondContact O-CE 3.47Å; A147-K554 PolarHBondContact O-NZ 3.23Å
148I98.2Very high95.9Very high6 Ų665 Ų653%0.03132%0.317CS..SBendtrans-80.2124.7-175.2-54.3175.2000110.8L129 C132 I143 E145 R150 L164L129-I148 HydrophobicContact CD2-CG2 3.51Å; C132-I148 HydrophobicContact CB-CD1 3.93Å; C132-I148 HydrophobicContact CB-CG1 4.39Å; I143-I148 HydrophobicContact CG2-CD1 3.85Å; I143-I148 HydrophobicContact CG2-CG1 3.68Å; E145-I148 PolarHBondContact O-N 3.44Å; I148-R150 HydrophobicContact CG2-CG 4.33Å; I148-R150 PolarHBondContact O-NH1 3.33Å; I148-L164 HydrophobicContact CG1-CD2 4.15Å
149N97.7Very high95.9Very high33 Ų3368.8 Ų68.818%0.17633%0.331CS..  trans-75.8124169.9-59.5-44.5000109.1L129 L153 T157 E160 N161 K554L129-N149 WeakPolarHBondContact CD2-O 3.31Å; N149-L153 HydrophobicContact CB-CD2 3.58Å; N149-L153 WeakPolarHBondContact O-CD2 3.47Å; N149-T157 HydrophobicContact CB-CG2 4.47Å; N149-T157 PolarHBondContact ND2-O 3.31Å; N149-E160 PolarHBondContact ND2-OE2 2.66Å; N149-N161 WeakPolarHBondContact CB-OD1 3.46Å; N149-N161 PolarHBondContact N-OD1 3.2Å; N149-N161 PolarHBondContact O-ND2 3.47Å; N149-K554 WeakPolarHBondContact ND2-CE 3.44Å; N149-K554 PolarHBondContact ND2-NZ 3.17Å; N149-K554 PolarHBondContact OD1-NZ 3.32Å
150R94.7Very high95.9Very high80 Ų8069.1 Ų69.130%0.30233%0.33SS..  trans-113.9-33.9-173.4-65.5169.4177.286.3-4.3115.7D107 E145 I148D107-R150 HydrophobicContact CB-CG 4.49Å; D107-R150 VanDerWaalsContact OD1-CD 3.3Å; D107-R150 WeakPolarHBondContact OD1-CD 3.46Å; D107-R150 IonicContact OD1-NE 2.92Å; D107-R150 WeakPolarHBondContact OD2-CD 3.42Å; D107-R150 IonicContact OD2-CZ 2.76Å; D107-R150 IonicContact OD2-NE 3.16Å; D107-R150 PolarHBondContact OD2-NE 2.91Å; D107-R150 IonicContact OD2-NH2 3.91Å; E145-R150 VanDerWaalsContact C-NH2 3.25Å; E145-R150 VanDerWaalsContact CB-NH2 3.31Å; E145-R150 PolarHBondContact O-NH1 3.2Å; E145-R150 PolarHBondContact O-NH2 3.45Å; E145-R150 IonicContact OE2-CZ 3.04Å; E145-R150 IonicContact OE2-NH2 2.71Å; E145-R150 PolarHBondContact OE2-NH2 2.97Å; I148-R150 HydrophobicContact CG2-CG 4.33Å; I148-R150 PolarHBondContact O-NH1 3.33Å
151K90Very high96Very high178 Ų17864.7 Ų64.777%0.77430%0.302SS*.SBendtrans-121.2149.1-169.1-63.3-177-177.8177.20110.4L153K151-L153 VanDerWaalsContact C-N 3.28Å; K151-L153 PolarHBondContact O-N 3.37Å
152N89.2Confident96.1Very high162 Ų16259 Ų5987%0.86628%0.275SS*.SBendtrans51.845.2176.3-57.9-31.7000113N154N152-N154 PolarHBondContact O-N 3.13Å; N152-N154 VanDerWaalsContact O-N 3.11Å
153L94.1Very high96.1Very high29 Ų2959.4 Ų59.415%0.15228%0.278CS..  trans-68.5109.8-172.7-57.9-176.5000112D127 L129 N149 K151 T157 R158D127-L153 HydrophobicContact CB-CD1 3.84Å; L129-L153 HydrophobicContact CD1-CD1 3.98Å; L129-L153 HydrophobicContact CG-CD1 4.29Å; N149-L153 HydrophobicContact CB-CD2 3.58Å; N149-L153 WeakPolarHBondContact O-CD2 3.47Å; K151-L153 VanDerWaalsContact C-N 3.28Å; K151-L153 PolarHBondContact O-N 3.37Å; L153-T157 VanDerWaalsContact CA-OG1 3.31Å; L153-T157 WeakPolarHBondContact CA-OG1 3.46Å; L153-R158 HydrophobicContact CB-CG 3.85Å; L153-R158 PolarHBondContact O-NE 2.94Å; L153-R158 PolarHBondContact O-NH2 3.49Å
154N95.1Very high96.1Very high79 Ų7959.4 Ų59.442%0.42228%0.278SS..  trans-87.9173167.568.446.8000111.2N152 Y156 T157 R158N152-N154 PolarHBondContact O-N 3.13Å; N152-N154 VanDerWaalsContact O-N 3.11Å; N154-Y156 PolarHBondContact O-N 3.19Å; N154-Y156 WeakPolarHBondContact OD1-CA 3.16Å; N154-Y156 WeakPolarHBondContact OD1-CB 3.13Å; N154-Y156 PolarHBondContact OD1-N 3.34Å; N154-T157 PolarHBondContact N-OG1 2.93Å; N154-T157 PolarHBondContact O-N 3.32Å; N154-T157 VanDerWaalsContact O-N 3.16Å; N154-T157 PolarHBondContact O-OG1 2.93Å; N154-T157 PolarHBondContact OD1-N 3Å; N154-T157 PolarHBondContact OD1-OG1 3.38Å; N154-R158 WeakPolarHBondContact O-CG 3.43Å; N154-R158 PolarHBondContact O-N 3.47Å
155T94.3Very high96.1Very high119 Ų11958.6 Ų58.673%0.7327%0.273SS*.Hα-helixtrans-50.7-41.7-179.2-49.80000113.3R159T155-R159 WeakPolarHBondContact O-CB 3.43Å; T155-R159 PolarHBondContact O-N 3.26Å; T155-R159 VanDerWaalsContact O-N 3.12Å
156Y93.5Very high96.1Very high138 Ų13856 Ų5654%0.54126%0.262SS..Hα-helixtrans-68.6-49.5179.8-57.7-75.9000111.5N154 R158 R159 E160N154-Y156 PolarHBondContact O-N 3.19Å; N154-Y156 WeakPolarHBondContact OD1-CA 3.16Å; N154-Y156 WeakPolarHBondContact OD1-CB 3.13Å; N154-Y156 PolarHBondContact OD1-N 3.34Å; Y156-R158 VanDerWaalsContact C-N 3.3Å; Y156-R158 PolarHBondContact O-N 3.16Å; Y156-R159 WeakPolarHBondContact O-CB 3.44Å; Y156-R159 PolarHBondContact O-N 3.03Å; Y156-R159 VanDerWaalsContact O-N 3.11Å; Y156-E160 WeakPolarHBondContact O-CG 3.37Å; Y156-E160 PolarHBondContact O-N 2.78Å
157T96.1Very high96.2Very high27 Ų2753.2 Ų53.217%0.16625%0.252CS..Hα-helixtrans-65.8-30.3-179.253.10000113.6N149 L153 N154 N161N149-T157 HydrophobicContact CB-CG2 4.47Å; N149-T157 PolarHBondContact ND2-O 3.31Å; L153-T157 VanDerWaalsContact CA-OG1 3.31Å; L153-T157 WeakPolarHBondContact CA-OG1 3.46Å; N154-T157 PolarHBondContact N-OG1 2.93Å; N154-T157 PolarHBondContact O-N 3.32Å; N154-T157 VanDerWaalsContact O-N 3.16Å; N154-T157 PolarHBondContact O-OG1 2.93Å; N154-T157 PolarHBondContact OD1-N 3Å; N154-T157 PolarHBondContact OD1-OG1 3.38Å; T157-N161 PolarHBondContact O-N 3.26Å; T157-N161 VanDerWaalsContact O-N 3.11Å
158R97.3Very high96.2Very high109 Ų10953.2 Ų53.241%0.41125%0.252SS..Hα-helixtrans-67.1-45.9171.2-68.1-179.6-167.3-168.7-0.8110.8D127 L153 N154 Y156 E160 N161 L162D127-R158 HydrophobicContact CB-CG 3.97Å; L153-R158 HydrophobicContact CB-CG 3.85Å; L153-R158 PolarHBondContact O-NE 2.94Å; L153-R158 PolarHBondContact O-NH2 3.49Å; N154-R158 WeakPolarHBondContact O-CG 3.43Å; N154-R158 PolarHBondContact O-N 3.47Å; Y156-R158 VanDerWaalsContact C-N 3.3Å; Y156-R158 PolarHBondContact O-N 3.16Å; R158-E160 VanDerWaalsContact C-N 3.31Å; R158-E160 PolarHBondContact O-N 3.26Å; R158-N161 WeakPolarHBondContact O-CB 3.35Å; R158-N161 PolarHBondContact O-N 3.45Å; R158-L162 WeakPolarHBondContact O-CG 3.11Å; R158-L162 PolarHBondContact O-N 3.13Å
159R96Very high96.2Very high79 Ų7953 Ų5330%0.29825%0.251SS..Hα-helixtrans-61.1-39.5176.1-172.8-178.2-178.5114.49.4112T155 Y156 L162 T163 D182 M590T155-R159 WeakPolarHBondContact O-CB 3.43Å; T155-R159 PolarHBondContact O-N 3.26Å; T155-R159 VanDerWaalsContact O-N 3.12Å; Y156-R159 WeakPolarHBondContact O-CB 3.44Å; Y156-R159 PolarHBondContact O-N 3.03Å; Y156-R159 VanDerWaalsContact O-N 3.11Å; R159-L162 PolarHBondContact O-N 3.27Å; R159-T163 WeakPolarHBondContact O-CB 3.34Å; R159-T163 PolarHBondContact O-N 3.18Å; R159-T163 PolarHBondContact O-OG1 3.3Å; R159-D182 IonicContact CZ-OD1 2.91Å; R159-D182 IonicContact CZ-OD2 3.07Å; R159-D182 IonicContact NE-OD1 3.95Å; R159-D182 VanDerWaalsContact NH1-CG 3.32Å; R159-D182 IonicContact NH1-OD1 2.78Å; R159-D182 PolarHBondContact NH1-OD1 3.27Å; R159-D182 IonicContact NH1-OD2 2.66Å; R159-D182 PolarHBondContact NH1-OD2 3.13Å; R159-D182 VanDerWaalsContact NH2-CG 3.28Å; R159-D182 IonicContact NH2-OD1 3.49Å; R159-D182 PolarHBondContact NH2-OD1 3.02Å; R159-D182 IonicContact NH2-OD2 2.84Å; R159-D182 PolarHBondContact NH2-OD2 3.46Å; R159-M590 PolarHBondContact NH2-SD 2.83Å
160E97.4Very high96.2Very high34 Ų3452.5 Ų52.516%0.15925%0.246CC..Hα-helixtrans-61.7-45.1174.1-73.7176.3172.300112N149 Y156 R158 T163 L164 I526 K554N149-E160 PolarHBondContact ND2-OE2 2.66Å; Y156-E160 WeakPolarHBondContact O-CG 3.37Å; Y156-E160 PolarHBondContact O-N 2.78Å; R158-E160 VanDerWaalsContact C-N 3.31Å; R158-E160 PolarHBondContact O-N 3.26Å; E160-T163 PolarHBondContact O-N 3.18Å; E160-L164 VanDerWaalsContact O-CB 3.32Å; E160-L164 WeakPolarHBondContact O-CB 3.46Å; E160-L164 PolarHBondContact O-N 2.8Å; E160-I526 VanDerWaalsContact OE1-CD1 3.29Å; E160-I526 WeakPolarHBondContact OE1-CD1 3.34Å; E160-K554 HydrophobicContact CB-CG 4.06Å; E160-K554 WeakPolarHBondContact OE2-CE 3.46Å; E160-K554 IonicContact OE2-NZ 3.53Å
161N98.5Very high96.3Very high0 Ų049.2 Ų49.20%024%0.237CC..Hα-helixtrans-61.4-44175-77.8-7000111.9D127 N149 T157 R158 L164 A165D127-N161 WeakPolarHBondContact O-CB 3.36Å; D127-N161 PolarHBondContact O-ND2 3.36Å; N149-N161 WeakPolarHBondContact CB-OD1 3.46Å; N149-N161 PolarHBondContact N-OD1 3.2Å; N149-N161 PolarHBondContact O-ND2 3.47Å; T157-N161 PolarHBondContact O-N 3.26Å; T157-N161 VanDerWaalsContact O-N 3.11Å; R158-N161 WeakPolarHBondContact O-CB 3.35Å; R158-N161 PolarHBondContact O-N 3.45Å; N161-L164 WeakPolarHBondContact O-CB 3.4Å; N161-L164 PolarHBondContact O-N 3.07Å; N161-A165 WeakPolarHBondContact O-CB 3.11Å; N161-A165 PolarHBondContact O-N 3.13Å
162L98.4Very high96.7Very high1 Ų141.2 Ų41.21%0.00520%0.202CC..Hα-helixtrans-65-39.6177.1-70172.9000112V126 I131 R158 R159 A165 V166 A181 L184 A185V126-L162 WeakPolarHBondContact O-CD1 3.41Å; I131-L162 HydrophobicContact CD1-CD2 4.27Å; R158-L162 WeakPolarHBondContact O-CG 3.11Å; R158-L162 PolarHBondContact O-N 3.13Å; R159-L162 PolarHBondContact O-N 3.27Å; L162-A165 PolarHBondContact O-N 2.76Å; L162-V166 WeakPolarHBondContact O-CB 3.37Å; L162-V166 VanDerWaalsContact O-CG2 3.26Å; L162-V166 WeakPolarHBondContact O-CG2 3.43Å; L162-V166 PolarHBondContact O-N 2.85Å; L162-A181 HydrophobicContact CB-CB 3.84Å; L162-A181 WeakPolarHBondContact CD1-O 3.37Å; L162-L184 HydrophobicContact CD1-CB 4.45Å; L162-L184 HydrophobicContact CD2-CB 3.86Å; L162-L184 HydrophobicContact CD2-CD1 4.37Å; L162-A185 HydrophobicContact CD1-CB 3.63Å
163T97.9Very high97Very high27 Ų2734 Ų3417%0.16617%0.166CC..Hα-helixtrans-64-44.2175.6-580000110.8R159 E160 V166 N167 A181 K554R159-T163 WeakPolarHBondContact O-CB 3.34Å; R159-T163 PolarHBondContact O-N 3.18Å; R159-T163 PolarHBondContact O-OG1 3.3Å; E160-T163 PolarHBondContact O-N 3.18Å; T163-V166 PolarHBondContact O-N 3.35Å; T163-N167 WeakPolarHBondContact O-CB 3.38Å; T163-N167 VanDerWaalsContact O-CG 3.3Å; T163-N167 PolarHBondContact O-N 3.44Å; T163-N167 PolarHBondContact O-ND2 3.03Å; T163-A181 WeakPolarHBondContact OG1-CB 3.39Å; T163-K554 WeakPolarHBondContact CG2-O 3.43Å
164L98.6Very high97.2Very high0 Ų032.7 Ų32.70%016%0.16CC..Hα-helixtrans-57.5-48.3172.1175.457.4000111.2I143 A147 I148 E160 N161 N167 S168 S550 R553 K554I143-L164 HydrophobicContact CD1-CG 4.39Å; I143-L164 HydrophobicContact CG1-CD1 4.42Å; I143-L164 HydrophobicContact CG2-CD1 4.23Å; I143-L164 HydrophobicContact CG2-CD2 3.78Å; I143-L164 HydrophobicContact CG2-CG 4.13Å; A147-L164 HydrophobicContact CB-CD2 4Å; I148-L164 HydrophobicContact CG1-CD2 4.15Å; E160-L164 VanDerWaalsContact O-CB 3.32Å; E160-L164 WeakPolarHBondContact O-CB 3.46Å; E160-L164 PolarHBondContact O-N 2.8Å; N161-L164 WeakPolarHBondContact O-CB 3.4Å; N161-L164 PolarHBondContact O-N 3.07Å; L164-N167 PolarHBondContact O-N 2.96Å; L164-S168 WeakPolarHBondContact O-CB 3.3Å; L164-S168 PolarHBondContact O-N 3.41Å; L164-S168 PolarHBondContact O-OG 3.46Å; L164-S550 WeakPolarHBondContact CD1-O 3.31Å; L164-R553 HydrophobicContact CD1-CB 4Å; L164-K554 HydrophobicContact CB-CB 4.21Å; L164-K554 HydrophobicContact CB-CG 4.39Å; L164-K554 HydrophobicContact CD1-CB 4.33Å
165A98.6Very high97.1Very high0 Ų031.1 Ų31.10%015%0.151CC..Hα-helixtrans-60.3-49.2179.200000112.1I131 I135 N161 L162 N167 S168 A169I131-A165 HydrophobicContact CB-CB 4.02Å; I131-A165 HydrophobicContact CG2-CB 3.76Å; I135-A165 HydrophobicContact CD1-CB 4.26Å; I135-A165 VanDerWaalsContact CD1-O 3.23Å; I135-A165 WeakPolarHBondContact CD1-O 3.19Å; N161-A165 WeakPolarHBondContact O-CB 3.11Å; N161-A165 PolarHBondContact O-N 3.13Å; L162-A165 PolarHBondContact O-N 2.76Å; A165-N167 PolarHBondContact O-N 2.89Å; A165-S168 PolarHBondContact O-N 3.4Å; A165-A169 VanDerWaalsContact O-CB 3.26Å; A165-A169 WeakPolarHBondContact O-CB 3.07Å; A165-A169 PolarHBondContact O-N 2.93Å
166V98.2Very high96.9Very high6 Ų625.9 Ų25.94%0.03612%0.119CC..Hα-helixtrans-60.8-45.4179.5170.10000111.5L162 T163 R170 I176 I179 L184L162-V166 WeakPolarHBondContact O-CB 3.37Å; L162-V166 VanDerWaalsContact O-CG2 3.26Å; L162-V166 WeakPolarHBondContact O-CG2 3.43Å; L162-V166 PolarHBondContact O-N 2.85Å; T163-V166 PolarHBondContact O-N 3.35Å; V166-R170 PolarHBondContact O-N 3.42Å; V166-I176 HydrophobicContact CG1-CG2 3.47Å; V166-I176 VanDerWaalsContact CG1-CG2 3.47Å; V166-I179 HydrophobicContact CG2-CG2 4.45Å; V166-L184 HydrophobicContact CG2-CD1 3.48Å; V166-L184 VanDerWaalsContact CG2-CD1 3.48Å
167N97.9Very high96.5Very high11 Ų1122.9 Ų22.96%0.05911%0.114CC..Hα-helixtrans-72.9-30.2-178.6-68.8-28.4000112.6T163 L164 A165 R170 A171 R553 G556T163-N167 WeakPolarHBondContact O-CB 3.38Å; T163-N167 VanDerWaalsContact O-CG 3.3Å; T163-N167 PolarHBondContact O-N 3.44Å; T163-N167 PolarHBondContact O-ND2 3.03Å; L164-N167 PolarHBondContact O-N 2.96Å; A165-N167 PolarHBondContact O-N 2.89Å; N167-R170 WeakPolarHBondContact O-CB 3.25Å; N167-R170 PolarHBondContact OD1-NH1 3.34Å; N167-A171 PolarHBondContact O-N 3.18Å; N167-R553 HydrophobicContact CB-CB 3.76Å; N167-R553 HydrophobicContact CB-CG 3.99Å; N167-R553 PolarHBondContact ND2-O 3.33Å; N167-G556 WeakPolarHBondContact ND2-CA 3.16Å
168S98.6Very high95.7Very high0 Ų028.1 Ų28.10%014%0.141CC..Hα-helixtrans-76.3-38.8173.9-65.60000112.4I143 L164 A165 R170 A171 I172 R553I143-S168 VanDerWaalsContact CG1-OG 3.24Å; I143-S168 WeakPolarHBondContact CG1-OG 3.41Å; L164-S168 WeakPolarHBondContact O-CB 3.3Å; L164-S168 PolarHBondContact O-N 3.41Å; L164-S168 PolarHBondContact O-OG 3.46Å; A165-S168 PolarHBondContact O-N 3.4Å; S168-R170 VanDerWaalsContact C-N 3.3Å; S168-R170 PolarHBondContact O-N 3.04Å; S168-A171 WeakPolarHBondContact O-CB 3.48Å; S168-A171 PolarHBondContact O-N 3.16Å; S168-I172 PolarHBondContact O-N 2.81Å; S168-I172 VanDerWaalsContact O-N 3.12Å; S168-R553 WeakPolarHBondContact OG-CD 3.47Å
169A98.5Very high95.2Very high0 Ų023.8 Ų23.80%013%0.126CC..Hα-helixtrans-59-42171.400000111.3I135 A165 A171 I172 G173 C174 I176 L195I135-A169 HydrophobicContact CD1-CB 4.03Å; A165-A169 VanDerWaalsContact O-CB 3.26Å; A165-A169 WeakPolarHBondContact O-CB 3.07Å; A165-A169 PolarHBondContact O-N 2.93Å; A169-A171 VanDerWaalsContact C-N 3.34Å; A169-A171 PolarHBondContact O-N 2.92Å; A169-I172 WeakPolarHBondContact O-CG1 3.47Å; A169-I172 PolarHBondContact O-N 3.22Å; A169-G173 PolarHBondContact O-N 3.08Å; A169-C174 HydrophobicContact CB-CB 4.05Å; A169-C174 VanDerWaalsContact O-CB 3.22Å; A169-C174 WeakPolarHBondContact O-CB 3.28Å; A169-C174 PolarHBondContact O-N 3.22Å; A169-I176 HydrophobicContact CB-CD1 3.86Å; A169-L195 HydrophobicContact CB-CD1 3.87Å
170R97.4Very high94.8Very high23 Ų2323.5 Ų23.59%0.08713%0.131CC..Hα-helixtrans-56-48.1170.5176.6-176.2-67.71228.6111.6V166 N167 S168 I172 G173 I176 S369 Y560V166-R170 PolarHBondContact O-N 3.42Å; N167-R170 WeakPolarHBondContact O-CB 3.25Å; N167-R170 PolarHBondContact OD1-NH1 3.34Å; S168-R170 VanDerWaalsContact C-N 3.3Å; S168-R170 PolarHBondContact O-N 3.04Å; R170-I172 VanDerWaalsContact C-N 3.26Å; R170-I172 PolarHBondContact O-N 3.19Å; R170-G173 PolarHBondContact O-N 3.09Å; R170-I176 HydrophobicContact CB-CB 4.49Å; R170-I176 HydrophobicContact CB-CG1 3.84Å; R170-S369 WeakPolarHBondContact O-CB 3.45Å; R170-Y560 WeakPolarHBondContact CD-OH 3.45Å; R170-Y560 HydrophobicContact CG-CE1 3.65Å; R170-Y560 VanDerWaalsContact CG-OH 3.28Å; R170-Y560 WeakPolarHBondContact CG-OH 3.5Å
171A97.3Very high94.6Very high12 Ų1222.4 Ų22.410%0.09913%0.127CC..Hα-helixtrans-65.4-26.7-175.700000113.7N167 S168 A169 G173 N365 R553N167-A171 PolarHBondContact O-N 3.18Å; S168-A171 WeakPolarHBondContact O-CB 3.48Å; S168-A171 PolarHBondContact O-N 3.16Å; A169-A171 VanDerWaalsContact C-N 3.34Å; A169-A171 PolarHBondContact O-N 2.92Å; A171-G173 VanDerWaalsContact C-N 3.34Å; A171-N365 WeakPolarHBondContact O-CB 3.16Å; A171-N365 PolarHBondContact O-ND2 3.44Å; A171-R553 VanDerWaalsContact CB-CZ 3.49Å; A171-R553 VanDerWaalsContact CB-NH2 3.35Å
172I97.3Very high94.3Very high10 Ų1025 Ų255%0.05114%0.141CC..THydrogen-bonded Turntrans-88.50.4173.866.1166.2000113.5I135 V139 T142 S168 A169 R170 I199 I202 N365I135-I172 HydrophobicContact CG2-CD1 4.31Å; V139-I172 HydrophobicContact CB-CG2 3.97Å; V139-I172 HydrophobicContact CG1-CG2 4.29Å; V139-I172 HydrophobicContact CG2-CB 4.11Å; V139-I172 HydrophobicContact CG2-CD1 4.39Å; V139-I172 HydrophobicContact CG2-CG2 3.94Å; T142-I172 HydrophobicContact CG2-CG2 3.53Å; S168-I172 PolarHBondContact O-N 2.81Å; S168-I172 VanDerWaalsContact O-N 3.12Å; A169-I172 WeakPolarHBondContact O-CG1 3.47Å; A169-I172 PolarHBondContact O-N 3.22Å; R170-I172 VanDerWaalsContact C-N 3.26Å; R170-I172 PolarHBondContact O-N 3.19Å; I172-I199 HydrophobicContact CD1-CG2 4.41Å; I172-I202 HydrophobicContact CD1-CD1 4.01Å; I172-I202 HydrophobicContact CD1-CG2 4.44Å; I172-I202 HydrophobicContact CG1-CD1 4.07Å; I172-N365 PolarHBondContact O-OD1 3.44Å
173G96.4Very high93.8Very high11 Ų1126.1 Ų26.111%0.11315%0.147CC..THydrogen-bonded Turntrans97.213.4174.500000116A169 R170 A171 N365 N368A169-G173 PolarHBondContact O-N 3.08Å; R170-G173 PolarHBondContact O-N 3.09Å; A171-G173 VanDerWaalsContact C-N 3.34Å; G173-N365 WeakPolarHBondContact CA-O 3.26Å; G173-N368 WeakPolarHBondContact O-CB 3.38Å
174C97.3Very high93.6Very high1 Ų124.9 Ų24.91%0.00714%0.139CC..  trans-65.4138.5168.3-64.10000109.6A169 I176 L195 Q198 I202 S369A169-C174 HydrophobicContact CB-CB 4.05Å; A169-C174 VanDerWaalsContact O-CB 3.22Å; A169-C174 WeakPolarHBondContact O-CB 3.28Å; A169-C174 PolarHBondContact O-N 3.22Å; C174-I176 HydrophobicContact CB-CD1 3.77Å; C174-I176 HydrophobicContact CB-CG1 4.29Å; C174-I176 WeakPolarHBondContact O-CG1 3.27Å; C174-I176 PolarHBondContact O-N 3.42Å; C174-L195 HydrophobicContact CB-CD1 4.43Å; C174-Q198 HydrophobicContact CB-CB 4.28Å; C174-I202 VanDerWaalsContact SG-CD1 3.54Å; C174-S369 WeakPolarHBondContact O-CA 3.34Å; C174-S369 WeakPolarHBondContact O-CB 3.47Å
175N93.9Very high93.4Very high46 Ų4627.1 Ų27.125%0.24616%0.158CC..  trans-70.6111.1168.3-179.21.5000109.2V177 Q198N175-V177 VanDerWaalsContact OD1-CB 3.26Å; N175-V177 WeakPolarHBondContact OD1-CB 3.33Å; N175-V177 WeakPolarHBondContact OD1-CG2 3.4Å; N175-V177 PolarHBondContact OD1-N 3.28Å; N175-Q198 PolarHBondContact O-NE2 2.66Å
176I90.1Very high93.1Very high9 Ų934 Ų345%0.04619%0.188CC..  trans-105.814.6-177.6-57.2-55.7000110.9V166 A169 R170 C174 N178 I179 L195 S369V166-I176 HydrophobicContact CG1-CG2 3.47Å; V166-I176 VanDerWaalsContact CG1-CG2 3.47Å; A169-I176 HydrophobicContact CB-CD1 3.86Å; R170-I176 HydrophobicContact CB-CB 4.49Å; R170-I176 HydrophobicContact CB-CG1 3.84Å; C174-I176 HydrophobicContact CB-CD1 3.77Å; C174-I176 HydrophobicContact CB-CG1 4.29Å; C174-I176 WeakPolarHBondContact O-CG1 3.27Å; C174-I176 PolarHBondContact O-N 3.42Å; I176-N178 PolarHBondContact O-N 3.02Å; I176-I179 HydrophobicContact CG2-CB 4.19Å; I176-I179 WeakPolarHBondContact CG2-O 3.18Å; I176-I179 PolarHBondContact O-N 3.39Å; I176-I179 VanDerWaalsContact O-N 3.15Å; I176-L195 HydrophobicContact CD1-CD1 3.73Å; I176-S369 PolarHBondContact N-O 2.92Å
177V84.3Confident92.8Very high74 Ų7434.1 Ų34.145%0.44819%0.19SC..THydrogen-bonded Turntrans-62.1123.7172.8178.20000108.5N175 I179N175-V177 VanDerWaalsContact OD1-CB 3.26Å; N175-V177 WeakPolarHBondContact OD1-CB 3.33Å; N175-V177 WeakPolarHBondContact OD1-CG2 3.4Å; N175-V177 PolarHBondContact OD1-N 3.28Å; V177-I179 VanDerWaalsContact C-N 3.3Å; V177-I179 PolarHBondContact O-N 3.44Å
178N80Confident92.4Very high138 Ų13836 Ų3674%0.73820%0.198SC*.THydrogen-bonded Turntrans62.726.5-175.7-50.1-38.6000115.2I176I176-N178 PolarHBondContact O-N 3.02Å
179I87.4Confident92Very high17 Ų1737.6 Ų37.69%0.08721%0.208CC..  trans-122115.9169.8-60.9169.8000108.3V166 I176 V177 L184 L191 L195V166-I179 HydrophobicContact CG2-CG2 4.45Å; I176-I179 HydrophobicContact CG2-CB 4.19Å; I176-I179 WeakPolarHBondContact CG2-O 3.18Å; I176-I179 PolarHBondContact O-N 3.39Å; I176-I179 VanDerWaalsContact O-N 3.15Å; V177-I179 VanDerWaalsContact C-N 3.3Å; V177-I179 PolarHBondContact O-N 3.44Å; I179-L184 HydrophobicContact CG2-CD1 4.34Å; I179-L184 HydrophobicContact CG2-CD2 4.38Å; I179-L184 HydrophobicContact CG2-CG 4.32Å; I179-L191 HydrophobicContact CG1-CD2 4.2Å; I179-L195 HydrophobicContact CD1-CB 4.47Å; I179-L195 HydrophobicContact CG2-CD2 4.42Å
180D88.2Confident91.5Very high74 Ų7439.6 Ų39.640%0.39622%0.217SC..  trans-126.1173.8172.469.738.4000112.3D182 D183 L184D180-D182 VanDerWaalsContact C-N 3.27Å; D180-D182 PolarHBondContact O-N 3.03Å; D180-D182 WeakPolarHBondContact OD1-CA 3.4Å; D180-D182 WeakPolarHBondContact OD1-CB 3.49Å; D180-D182 PolarHBondContact OD1-N 3Å; D180-D183 PolarHBondContact O-N 3.41Å; D180-D183 PolarHBondContact OD1-N 2.91Å; D180-L184 PolarHBondContact O-N 3.46Å
181A93.2Very high91.1Very high10 Ų1039.5 Ų39.58%0.08322%0.218CC..Hα-helixtrans-65.5-29.7-178.700000112.7L162 T163 A185L162-A181 HydrophobicContact CB-CB 3.84Å; L162-A181 WeakPolarHBondContact CD1-O 3.37Å; T163-A181 WeakPolarHBondContact OG1-CB 3.39Å; A181-A185 WeakPolarHBondContact O-CB 3.18Å; A181-A185 PolarHBondContact O-N 3.21Å
182D91.2Very high91Very high55 Ų5539 Ų3929%0.29421%0.214SC..Hα-helixtrans-73.7-35.8-179.4-75.2-37000112.1R159 D180 A185 K186R159-D182 IonicContact CZ-OD1 2.91Å; R159-D182 IonicContact CZ-OD2 3.07Å; R159-D182 IonicContact NE-OD1 3.95Å; R159-D182 VanDerWaalsContact NH1-CG 3.32Å; R159-D182 IonicContact NH1-OD1 2.78Å; R159-D182 PolarHBondContact NH1-OD1 3.27Å; R159-D182 IonicContact NH1-OD2 2.66Å; R159-D182 PolarHBondContact NH1-OD2 3.13Å; R159-D182 VanDerWaalsContact NH2-CG 3.28Å; R159-D182 IonicContact NH2-OD1 3.49Å; R159-D182 PolarHBondContact NH2-OD1 3.02Å; R159-D182 IonicContact NH2-OD2 2.84Å; R159-D182 PolarHBondContact NH2-OD2 3.46Å; D180-D182 VanDerWaalsContact C-N 3.27Å; D180-D182 PolarHBondContact O-N 3.03Å; D180-D182 WeakPolarHBondContact OD1-CA 3.4Å; D180-D182 WeakPolarHBondContact OD1-CB 3.49Å; D180-D182 PolarHBondContact OD1-N 3Å; D182-A185 PolarHBondContact O-N 2.96Å; D182-K186 WeakPolarHBondContact O-CG 3.22Å; D182-K186 PolarHBondContact O-N 3.31Å
183D87.2Confident90.9Very high24 Ų2438.6 Ų38.613%0.12821%0.212CC..Hα-helixtrans-65-41.3174.1-80.8-29000112.6D180 K186 K188 L191D180-D183 PolarHBondContact O-N 3.41Å; D180-D183 PolarHBondContact OD1-N 2.91Å; D183-K186 PolarHBondContact O-N 3.22Å; D183-K188 HydrophobicContact CB-CD 4.33Å; D183-K188 WeakPolarHBondContact OD1-CE 3.32Å; D183-K188 IonicContact OD1-NZ 2.57Å; D183-K188 PolarHBondContact OD1-NZ 2.74Å; D183-L191 HydrophobicContact CB-CD1 3.53Å
184L93.6Very high90.7Very high1 Ų139.2 Ų39.21%0.00522%0.218CC..Hα-helixtrans-72.1-35.4175.6-63.5178.1000112.3I131 L162 V166 I179 D180 K186 G187 V192 L195I131-L184 HydrophobicContact CD1-CD1 4.08Å; L162-L184 HydrophobicContact CD1-CB 4.45Å; L162-L184 HydrophobicContact CD2-CB 3.86Å; L162-L184 HydrophobicContact CD2-CD1 4.37Å; V166-L184 HydrophobicContact CG2-CD1 3.48Å; V166-L184 VanDerWaalsContact CG2-CD1 3.48Å; I179-L184 HydrophobicContact CG2-CD1 4.34Å; I179-L184 HydrophobicContact CG2-CD2 4.38Å; I179-L184 HydrophobicContact CG2-CG 4.32Å; D180-L184 PolarHBondContact O-N 3.46Å; L184-K186 PolarHBondContact O-N 3.01Å; L184-G187 PolarHBondContact O-N 3Å; L184-V192 HydrophobicContact CD2-CG2 4.18Å; L184-L195 HydrophobicContact CD1-CD2 3.69Å; L184-L195 HydrophobicContact CD2-CD2 4.1Å
185A94.6Very high90.6Very high47 Ų4739.2 Ų39.239%0.38822%0.218SC..Hα-helixtrans-61.6-27.5175.300000112.6L162 A181 D182 G187L162-A185 HydrophobicContact CD1-CB 3.63Å; A181-A185 WeakPolarHBondContact O-CB 3.18Å; A181-A185 PolarHBondContact O-N 3.21Å; D182-A185 PolarHBondContact O-N 2.96Å; A185-G187 VanDerWaalsContact C-N 3.28Å
186K93.1Very high90.8Very high145 Ų14537 Ų3763%0.6321%0.206SC*.THydrogen-bonded Turntrans-80.9-4.4173.8-67.9166.1-172167.40113.3D182 D183 L184 K188D182-K186 WeakPolarHBondContact O-CG 3.22Å; D182-K186 PolarHBondContact O-N 3.31Å; D183-K186 PolarHBondContact O-N 3.22Å; L184-K186 PolarHBondContact O-N 3.01Å; K186-K188 VanDerWaalsContact C-N 3.27Å; K186-K188 HydrophobicContact CB-CG 4.26Å; K186-K188 PolarHBondContact O-N 3.28Å
187G91.6Very high91Very high8 Ų837.8 Ų37.88%0.08221%0.209CC..THydrogen-bonded Turntrans6230.2-178.900000113.6Y122 L184 A185 P189Y122-G187 WeakPolarHBondContact CB-O 3.28Å; L184-G187 PolarHBondContact O-N 3Å; A185-G187 VanDerWaalsContact C-N 3.28Å; G187-P189 WeakPolarHBondContact O-CD 3.47Å; G187-P189 VanDerWaalsContact O-N 3.09Å
188K88.8Confident91.6Very high52 Ų5236.7 Ų36.723%0.22620%0.199CC..  trans-57.6114.3-176.7-77.8177.8172.4179.50110.7D183 K186 H190 L191 V192D183-K188 HydrophobicContact CB-CD 4.33Å; D183-K188 WeakPolarHBondContact OD1-CE 3.32Å; D183-K188 IonicContact OD1-NZ 2.57Å; D183-K188 PolarHBondContact OD1-NZ 2.74Å; K186-K188 VanDerWaalsContact C-N 3.27Å; K186-K188 HydrophobicContact CB-CG 4.26Å; K186-K188 PolarHBondContact O-N 3.28Å; K188-H190 PolarHBondContact O-N 3.47Å; K188-L191 HydrophobicContact CB-CB 4.27Å; K188-L191 HydrophobicContact CB-CD1 4Å; K188-L191 HydrophobicContact CB-CG 4.21Å; K188-L191 HydrophobicContact CD-CD1 3.57Å; K188-L191 HydrophobicContact CD-CG 4.49Å; K188-L191 HydrophobicContact CG-CD1 4.45Å; K188-L191 PolarHBondContact O-N 3.35Å; K188-L191 VanDerWaalsContact O-N 3.11Å; K188-V192 WeakPolarHBondContact O-CG2 3.38Å; K188-V192 PolarHBondContact O-N 3.46Å
189P91.5Very high92.5Very high32 Ų3230.1 Ų30.121%0.20816%0.163CC..Hα-helixtrans-57-45.2-168.3-34.540.6000115.6L70 V86 Y122 G187 L191 V192 L193L70-P189 HydrophobicContact CD1-CB 4.04Å; L70-P189 HydrophobicContact CD1-CG 4.09Å; V86-P189 HydrophobicContact CG1-CB 4.36Å; V86-P189 HydrophobicContact CG2-CB 3.84Å; Y122-P189 HydrophobicContact CD1-CB 4.03Å; Y122-P189 HydrophobicContact CD1-CG 4.18Å; Y122-P189 HydrophobicContact CD2-CB 4.43Å; Y122-P189 HydrophobicContact CD2-CG 4.07Å; Y122-P189 VanDerWaalsContact CE1-CA 3.44Å; Y122-P189 HydrophobicContact CE1-CB 3.6Å; Y122-P189 HydrophobicContact CE1-CG 4.19Å; Y122-P189 HydrophobicContact CE2-CB 4.01Å; Y122-P189 HydrophobicContact CE2-CG 4.05Å; Y122-P189 HydrophobicContact CG-CB 4.42Å; Y122-P189 HydrophobicContact CG-CG 4.12Å; G187-P189 WeakPolarHBondContact O-CD 3.47Å; G187-P189 VanDerWaalsContact O-N 3.09Å; P189-L191 VanDerWaalsContact C-N 3.34Å; P189-L191 PolarHBondContact O-N 3.17Å; P189-V192 PolarHBondContact O-N 3.12Å; P189-L193 WeakPolarHBondContact O-CG 3.29Å; P189-L193 PolarHBondContact O-N 3.28Å
190H86.7Confident93Very high43 Ų4329.3 Ų29.320%0.19916%0.159CC..Hα-helixtrans-66.1-32.8-179.465.6-79.1000113.5H84 V86 K188 G194H84-H190 HydrophobicContact CB-CB 3.83Å; H84-H190 AromaticContact CD2-CD2 3.63Å; H84-H190 AromaticContact CD2-CE1 3.83Å; H84-H190 AromaticContact CD2-NE2 3.4Å; H84-H190 PolarHBondContact CD2-NE2 3.23Å; H84-H190 AromaticContact CE1-CD2 3.92Å; H84-H190 AromaticContact CG-CD2 3.4Å; H84-H190 VanDerWaalsContact CG-CD2 3.4Å; H84-H190 AromaticContact CG-CG 3.75Å; H84-H190 AromaticContact CG-NE2 3.7Å; H84-H190 AromaticContact ND1-CD2 3.6Å; H84-H190 AromaticContact NE2-CD2 3.96Å; H84-H190 AromaticContact NE2-NE2 3.68Å; V86-H190 HydrophobicContact CG2-CB 3.83Å; K188-H190 PolarHBondContact O-N 3.47Å; H190-G194 PolarHBondContact O-N 2.57Å
191L90.4Very high93.4Very high20 Ų2028.2 Ų28.211%0.10515%0.15CC..Hα-helixtrans-77.7-41.1177.6-60.2178.1000111I179 D183 K188 P189 G194 L195I179-L191 HydrophobicContact CG1-CD2 4.2Å; D183-L191 HydrophobicContact CB-CD1 3.53Å; K188-L191 HydrophobicContact CB-CB 4.27Å; K188-L191 HydrophobicContact CB-CD1 4Å; K188-L191 HydrophobicContact CB-CG 4.21Å; K188-L191 HydrophobicContact CD-CD1 3.57Å; K188-L191 HydrophobicContact CD-CG 4.49Å; K188-L191 HydrophobicContact CG-CD1 4.45Å; K188-L191 PolarHBondContact O-N 3.35Å; K188-L191 VanDerWaalsContact O-N 3.11Å; P189-L191 VanDerWaalsContact C-N 3.34Å; P189-L191 PolarHBondContact O-N 3.17Å; L191-G194 PolarHBondContact O-N 3.46Å; L191-L195 WeakPolarHBondContact O-CB 3.38Å; L191-L195 PolarHBondContact O-N 3.3Å
192V94.9Very high93.6Very high1 Ų129.4 Ų29.41%0.00615%0.154CC..Hα-helixtrans-60.2-57.1175171.30000110L121 Y122 V125 L184 K188 P189 G194 L195 L196L121-V192 HydrophobicContact CG-CG1 4.46Å; Y122-V192 HydrophobicContact CD1-CB 3.96Å; Y122-V192 HydrophobicContact CD1-CG1 3.91Å; Y122-V192 HydrophobicContact CD1-CG2 4.34Å; Y122-V192 HydrophobicContact CE1-CB 4.29Å; Y122-V192 HydrophobicContact CE1-CG1 4.26Å; V125-V192 HydrophobicContact CG1-CG1 4.5Å; V125-V192 HydrophobicContact CG2-CG1 3.84Å; V125-V192 HydrophobicContact CG2-CG2 3.91Å; L184-V192 HydrophobicContact CD2-CG2 4.18Å; K188-V192 WeakPolarHBondContact O-CG2 3.38Å; K188-V192 PolarHBondContact O-N 3.46Å; P189-V192 PolarHBondContact O-N 3.12Å; V192-G194 VanDerWaalsContact C-N 3.31Å; V192-G194 PolarHBondContact O-N 2.87Å; V192-L195 PolarHBondContact O-N 3.46Å; V192-L196 HydrophobicContact CG1-CD1 3.67Å; V192-L196 HydrophobicContact CG1-CG 4.2Å; V192-L196 WeakPolarHBondContact O-CB 3.29Å; V192-L196 VanDerWaalsContact O-CG 3.23Å; V192-L196 WeakPolarHBondContact O-CG 3.43Å; V192-L196 PolarHBondContact O-N 2.68Å
193L94Very high93.8Very high3 Ų327.5 Ų27.52%0.01615%0.148CC..Hα-helixtrans-62.1-39.5179.7-65.7179.9000112.2V86 E90 Q91 F94 L121 Y122 P189 L195 L196 W197V86-L193 HydrophobicContact CG1-CD1 3.58Å; E90-L193 HydrophobicContact CB-CD1 4.28Å; Q91-L193 HydrophobicContact CB-CD1 4.39Å; Q91-L193 HydrophobicContact CB-CD2 4.22Å; F94-L193 HydrophobicContact CD2-CD2 3.88Å; F94-L193 HydrophobicContact CE2-CB 4.49Å; F94-L193 HydrophobicContact CE2-CD2 4.43Å; L121-L193 HydrophobicContact CD2-CD2 3.77Å; Y122-L193 HydrophobicContact CE1-CD2 4.19Å; Y122-L193 HydrophobicContact CE1-CG 3.99Å; Y122-L193 WeakPolarHBondContact OH-CD1 3.38Å; P189-L193 WeakPolarHBondContact O-CG 3.29Å; P189-L193 PolarHBondContact O-N 3.28Å; L193-L195 VanDerWaalsContact C-N 3.33Å; L193-L195 PolarHBondContact O-N 2.71Å; L193-L196 PolarHBondContact O-N 3.45Å; L193-W197 VanDerWaalsContact O-CB 3.29Å; L193-W197 WeakPolarHBondContact O-CB 3.15Å; L193-W197 PolarHBondContact O-N 2.83Å
194G92.3Very high94.3Very high23 Ų2326.6 Ų26.624%0.23714%0.143CC..Hα-helixtrans-59.9-41.8176.500000112.6H190 L191 V192 Q198H190-G194 PolarHBondContact O-N 2.57Å; L191-G194 PolarHBondContact O-N 3.46Å; V192-G194 VanDerWaalsContact C-N 3.31Å; V192-G194 PolarHBondContact O-N 2.87Å; G194-Q198 VanDerWaalsContact O-CG 3.31Å; G194-Q198 WeakPolarHBondContact O-CG 3.46Å; G194-Q198 PolarHBondContact O-N 2.88Å; G194-Q198 PolarHBondContact O-NE2 2.85Å
195L95.9Very high94.4Very high1 Ų127.4 Ų27.41%0.00515%0.146CC..Hα-helixtrans-72.1-47.8176.8-179.559000112I131 A169 C174 I176 I179 L184 L191 V192 L193 W197 Q198 I199I131-L195 HydrophobicContact CD1-CD2 4.42Å; I131-L195 HydrophobicContact CG2-CD2 4.13Å; A169-L195 HydrophobicContact CB-CD1 3.87Å; C174-L195 HydrophobicContact CB-CD1 4.43Å; I176-L195 HydrophobicContact CD1-CD1 3.73Å; I179-L195 HydrophobicContact CD1-CB 4.47Å; I179-L195 HydrophobicContact CG2-CD2 4.42Å; L184-L195 HydrophobicContact CD1-CD2 3.69Å; L184-L195 HydrophobicContact CD2-CD2 4.1Å; L191-L195 WeakPolarHBondContact O-CB 3.38Å; L191-L195 PolarHBondContact O-N 3.3Å; V192-L195 PolarHBondContact O-N 3.46Å; L193-L195 VanDerWaalsContact C-N 3.33Å; L193-L195 PolarHBondContact O-N 2.71Å; L195-W197 VanDerWaalsContact C-N 3.32Å; L195-W197 PolarHBondContact O-N 3.4Å; L195-Q198 PolarHBondContact O-N 3.23Å; L195-Q198 VanDerWaalsContact O-N 3.13Å; L195-I199 HydrophobicContact CD1-CD1 4.02Å; L195-I199 HydrophobicContact CD1-CG1 4.29Å; L195-I199 HydrophobicContact CG-CD1 3.86Å; L195-I199 WeakPolarHBondContact O-CG1 3.35Å; L195-I199 PolarHBondContact O-N 2.99Å
196L97.3Very high94.2Very high1 Ų127.8 Ų27.81%0.00514%0.142CC..Hα-helixtrans-58.7-44.5179.6-65.9176000111.2F94 I98 L121 I131 L134 V192 L193 Q198 I199 I200F94-L196 HydrophobicContact CD2-CB 4.41Å; I98-L196 HydrophobicContact CD1-CD1 4.27Å; I98-L196 HydrophobicContact CD1-CD2 4.44Å; L121-L196 HydrophobicContact CD1-CD1 3.9Å; L121-L196 HydrophobicContact CD2-CD1 3.76Å; L121-L196 HydrophobicContact CG-CD1 4.17Å; I131-L196 HydrophobicContact CG1-CD2 4.44Å; L134-L196 HydrophobicContact CD2-CB 4.44Å; L134-L196 HydrophobicContact CD2-CD2 3.36Å; L134-L196 HydrophobicContact CD2-CG 4.47Å; V192-L196 HydrophobicContact CG1-CD1 3.67Å; V192-L196 HydrophobicContact CG1-CG 4.2Å; V192-L196 WeakPolarHBondContact O-CB 3.29Å; V192-L196 VanDerWaalsContact O-CG 3.23Å; V192-L196 WeakPolarHBondContact O-CG 3.43Å; V192-L196 PolarHBondContact O-N 2.68Å; L193-L196 PolarHBondContact O-N 3.45Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.42Å; L196-I199 PolarHBondContact O-N 3.41Å; L196-I200 WeakPolarHBondContact O-CB 3.49Å; L196-I200 VanDerWaalsContact O-CG1 3.26Å; L196-I200 WeakPolarHBondContact O-CG1 3.49Å; L196-I200 PolarHBondContact O-N 3.11Å
197W95.6Very high94Very high24 Ų2425.3 Ų25.39%0.09113%0.132CC..Hα-helixtrans-57.3-45.8175.3170.7-121.1000112F94 L193 L195 I199 I200 R201 K324 A328F94-W197 AromaticContact CE1-CE3 3.69Å; F94-W197 HydrophobicContact CE1-CE3 3.69Å; F94-W197 HydrophobicContact CE1-CZ3 4.35Å; F94-W197 HydrophobicContact CE2-CB 3.74Å; F94-W197 HydrophobicContact CZ-CB 3.67Å; F94-W197 HydrophobicContact CZ-CD2 4.08Å; F94-W197 AromaticContact CZ-CE3 3.68Å; F94-W197 HydrophobicContact CZ-CE3 3.68Å; F94-W197 HydrophobicContact CZ-CG 4.11Å; L193-W197 VanDerWaalsContact O-CB 3.29Å; L193-W197 WeakPolarHBondContact O-CB 3.15Å; L193-W197 PolarHBondContact O-N 2.83Å; L195-W197 VanDerWaalsContact C-N 3.32Å; L195-W197 PolarHBondContact O-N 3.4Å; W197-I199 VanDerWaalsContact C-N 3.34Å; W197-I199 PolarHBondContact O-N 2.99Å; W197-I200 PolarHBondContact O-N 3.28Å; W197-R201 HydrophobicContact CD2-CB 4.37Å; W197-R201 HydrophobicContact CE3-CB 4.46Å; W197-R201 HydrophobicContact CH2-CB 4.21Å; W197-R201 HydrophobicContact CH2-CG 4.39Å; W197-R201 HydrophobicContact CZ2-CB 4.1Å; W197-R201 HydrophobicContact CZ2-CG 4.13Å; W197-R201 HydrophobicContact CZ3-CB 4.37Å; W197-R201 WeakPolarHBondContact O-CB 3.38Å; W197-R201 PolarHBondContact O-N 3.39Å; W197-K324 HydrophobicContact CD2-CD 4.16Å; W197-K324 HydrophobicContact CG-CD 4.15Å; W197-K324 HydrophobicContact CH2-CB 4.27Å; W197-K324 WeakPolarHBondContact CH2-O 3.33Å; W197-K324 HydrophobicContact CZ2-CB 3.98Å; W197-K324 HydrophobicContact CZ2-CD 4.46Å; W197-K324 HydrophobicContact CZ2-CG 4.11Å; W197-A328 HydrophobicContact CH2-CB 4.04Å; W197-A328 HydrophobicContact CZ3-CB 3.82Å
198Q97Very high94.1Very high51 Ų5125.1 Ų25.124%0.23813%0.129CC..Hα-helixtrans-62.2-42.6-179.9-73.4-177.29000111.9C174 N175 G194 L195 L196 R201 I202C174-Q198 HydrophobicContact CB-CB 4.28Å; N175-Q198 PolarHBondContact O-NE2 2.66Å; G194-Q198 VanDerWaalsContact O-CG 3.31Å; G194-Q198 WeakPolarHBondContact O-CG 3.46Å; G194-Q198 PolarHBondContact O-N 2.88Å; G194-Q198 PolarHBondContact O-NE2 2.85Å; L195-Q198 PolarHBondContact O-N 3.23Å; L195-Q198 VanDerWaalsContact O-N 3.13Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.42Å; Q198-R201 PolarHBondContact O-N 3.4Å; Q198-I202 VanDerWaalsContact O-CG1 3.31Å; Q198-I202 WeakPolarHBondContact O-CG1 3.39Å; Q198-I202 PolarHBondContact O-N 2.76Å
199I98.4Very high94.2Very high0 Ų025 Ų250%013%0.132CC..Hα-helixtrans-66.7-48.4178.6-58.7160.1000110.6I131 L134 I135 A138 I172 L195 L196 W197 R201 I202 G203I131-I199 HydrophobicContact CG2-CD1 3.84Å; L134-I199 HydrophobicContact CD1-CG2 4.49Å; L134-I199 HydrophobicContact CD2-CB 4.25Å; L134-I199 HydrophobicContact CD2-CD1 4.35Å; L134-I199 HydrophobicContact CD2-CG2 4.24Å; L134-I199 HydrophobicContact CG-CB 4.25Å; L134-I199 HydrophobicContact CG-CG2 3.7Å; I135-I199 HydrophobicContact CD1-CD1 4.34Å; I135-I199 HydrophobicContact CG1-CD1 3.82Å; I135-I199 HydrophobicContact CG1-CG1 4.19Å; I135-I199 HydrophobicContact CG1-CG2 4.12Å; A138-I199 HydrophobicContact CB-CG2 3.62Å; A138-I199 WeakPolarHBondContact CB-O 3.49Å; I172-I199 HydrophobicContact CD1-CG2 4.41Å; L195-I199 HydrophobicContact CD1-CD1 4.02Å; L195-I199 HydrophobicContact CD1-CG1 4.29Å; L195-I199 HydrophobicContact CG-CD1 3.86Å; L195-I199 WeakPolarHBondContact O-CG1 3.35Å; L195-I199 PolarHBondContact O-N 2.99Å; L196-I199 PolarHBondContact O-N 3.41Å; W197-I199 VanDerWaalsContact C-N 3.34Å; W197-I199 PolarHBondContact O-N 2.99Å; I199-R201 VanDerWaalsContact C-N 3.32Å; I199-R201 PolarHBondContact O-N 3.15Å; I199-I202 PolarHBondContact O-N 3.3Å; I199-G203 PolarHBondContact O-N 2.89Å
200I97.6Very high94.1Very high0 Ų024 Ų240%012%0.124CC..Hα-helixtrans-58.1-46176.9-69.1168.9000110.2F94 W97 L134 L196 W197 I202 G203 L204 F312F94-I200 HydrophobicContact CB-CD1 4.02Å; F94-I200 HydrophobicContact CD1-CD1 3.84Å; F94-I200 HydrophobicContact CG-CD1 3.95Å; W97-I200 HydrophobicContact CD2-CD1 4.42Å; W97-I200 HydrophobicContact CD2-CG1 4.42Å; W97-I200 HydrophobicContact CD2-CG2 4.41Å; W97-I200 HydrophobicContact CE3-CD1 3.91Å; W97-I200 HydrophobicContact CE3-CG1 3.83Å; W97-I200 HydrophobicContact CH2-CG1 4.25Å; W97-I200 HydrophobicContact CZ2-CG2 4.43Å; W97-I200 HydrophobicContact CZ3-CD1 4.37Å; W97-I200 HydrophobicContact CZ3-CG1 3.81Å; L134-I200 HydrophobicContact CD1-CG1 4.12Å; L134-I200 HydrophobicContact CD2-CG1 4.31Å; L196-I200 WeakPolarHBondContact O-CB 3.49Å; L196-I200 VanDerWaalsContact O-CG1 3.26Å; L196-I200 WeakPolarHBondContact O-CG1 3.49Å; L196-I200 PolarHBondContact O-N 3.11Å; W197-I200 PolarHBondContact O-N 3.28Å; I200-I202 VanDerWaalsContact C-N 3.33Å; I200-I202 PolarHBondContact O-N 3.38Å; I200-G203 CarbonylContact O-C 3.56Å; I200-G203 PolarHBondContact O-N 3.49Å; I200-G203 VanDerWaalsContact O-N 3.14Å; I200-L204 HydrophobicContact CG2-CD1 3.82Å; I200-L204 HydrophobicContact CG2-CG 4.15Å; I200-L204 WeakPolarHBondContact O-CG 3.13Å; I200-L204 PolarHBondContact O-N 2.88Å; I200-F312 HydrophobicContact CG2-CE1 3.77Å; I200-F312 HydrophobicContact CG2-CZ 3.86Å
201R96.6Very high94.2Very high51 Ų5125 Ų2519%0.19213%0.133CC..Hα-helixtrans-60.1-42.2178.7-176.9-179.8-178.7-99.35.5111.8W197 Q198 I199 G203 L204 F205W197-R201 HydrophobicContact CD2-CB 4.37Å; W197-R201 HydrophobicContact CE3-CB 4.46Å; W197-R201 HydrophobicContact CH2-CB 4.21Å; W197-R201 HydrophobicContact CH2-CG 4.39Å; W197-R201 HydrophobicContact CZ2-CB 4.1Å; W197-R201 HydrophobicContact CZ2-CG 4.13Å; W197-R201 HydrophobicContact CZ3-CB 4.37Å; W197-R201 WeakPolarHBondContact O-CB 3.38Å; W197-R201 PolarHBondContact O-N 3.39Å; Q198-R201 PolarHBondContact O-N 3.4Å; I199-R201 VanDerWaalsContact C-N 3.32Å; I199-R201 PolarHBondContact O-N 3.15Å; R201-G203 VanDerWaalsContact C-N 3.35Å; R201-L204 PolarHBondContact O-N 3.42Å; R201-F205 HydrophobicContact CG-CD2 3.99Å; R201-F205 HydrophobicContact CG-CE2 3.95Å; R201-F205 HydrophobicContact CG-CG 4.36Å; R201-F205 HydrophobicContact CG-CZ 4.22Å; R201-F205 VanDerWaalsContact O-CB 3.28Å; R201-F205 WeakPolarHBondContact O-CB 3.38Å; R201-F205 WeakPolarHBondContact O-CG 3.32Å; R201-F205 PolarHBondContact O-N 3.2Å
202I97.2Very high94.2Very high35 Ų3529.1 Ų29.118%0.17915%0.152CC..Hα-helixtrans-60.5-47.5174.9-71.8164000110.1V139 I172 C174 Q198 I199 I200 L204 F205 N206V139-I202 HydrophobicContact CG2-CG2 3.83Å; I172-I202 HydrophobicContact CD1-CD1 4.01Å; I172-I202 HydrophobicContact CD1-CG2 4.44Å; I172-I202 HydrophobicContact CG1-CD1 4.07Å; C174-I202 VanDerWaalsContact SG-CD1 3.54Å; Q198-I202 VanDerWaalsContact O-CG1 3.31Å; Q198-I202 WeakPolarHBondContact O-CG1 3.39Å; Q198-I202 PolarHBondContact O-N 2.76Å; I199-I202 PolarHBondContact O-N 3.3Å; I200-I202 VanDerWaalsContact C-N 3.33Å; I200-I202 PolarHBondContact O-N 3.38Å; I202-L204 PolarHBondContact O-N 3.46Å; I202-F205 PolarHBondContact O-N 3.07Å; I202-N206 WeakPolarHBondContact O-CB 3.28Å; I202-N206 PolarHBondContact O-N 3.48Å
203G96.5Very high94.1Very high15 Ų1530.3 Ų30.316%0.15516%0.159CC..Hα-helixtrans-64.4-35.4179.100000114I199 I200 R201 N206I199-G203 PolarHBondContact O-N 2.89Å; I200-G203 CarbonylContact O-C 3.56Å; I200-G203 PolarHBondContact O-N 3.49Å; I200-G203 VanDerWaalsContact O-N 3.14Å; R201-G203 VanDerWaalsContact C-N 3.35Å; G203-N206 PolarHBondContact O-OD1 3.28Å
204L96.2Very high94Very high6 Ų632.7 Ų32.73%0.03117%0.174CC..Hα-helixtrans-71.6-32.7175.7-70.9173.7000112.3I200 R201 I202 I208 F312 A328 A331 N335I200-L204 HydrophobicContact CG2-CD1 3.82Å; I200-L204 HydrophobicContact CG2-CG 4.15Å; I200-L204 WeakPolarHBondContact O-CG 3.13Å; I200-L204 PolarHBondContact O-N 2.88Å; R201-L204 PolarHBondContact O-N 3.42Å; I202-L204 PolarHBondContact O-N 3.46Å; L204-I208 WeakPolarHBondContact O-CD1 3.04Å; L204-F312 HydrophobicContact CD1-CE1 4.41Å; L204-F312 HydrophobicContact CD1-CE2 3.91Å; L204-F312 HydrophobicContact CD1-CZ 3.64Å; L204-F312 HydrophobicContact CD2-CE2 4.06Å; L204-F312 HydrophobicContact CD2-CZ 4.1Å; L204-F312 HydrophobicContact CG-CZ 4.31Å; L204-A328 HydrophobicContact CD1-CB 3.94Å; L204-A331 HydrophobicContact CB-CB 4.15Å; L204-A331 HydrophobicContact CD1-CB 4.41Å; L204-N335 PolarHBondContact O-ND2 3.03Å
205F96.1Very high94.1Very high17 Ų1731.8 Ų31.88%0.07517%0.165CC..Hα-helixtrans-96-16.1-170.7-74.210.4000113.7R201 I202 Q207 I208 P234 L238 L327 A331R201-F205 HydrophobicContact CG-CD2 3.99Å; R201-F205 HydrophobicContact CG-CE2 3.95Å; R201-F205 HydrophobicContact CG-CG 4.36Å; R201-F205 HydrophobicContact CG-CZ 4.22Å; R201-F205 VanDerWaalsContact O-CB 3.28Å; R201-F205 WeakPolarHBondContact O-CB 3.38Å; R201-F205 WeakPolarHBondContact O-CG 3.32Å; R201-F205 PolarHBondContact O-N 3.2Å; I202-F205 PolarHBondContact O-N 3.07Å; F205-Q207 PolarHBondContact O-N 3.21Å; F205-Q207 VanDerWaalsContact O-N 3.14Å; F205-I208 HydrophobicContact CD1-CD1 3.85Å; F205-I208 HydrophobicContact CE1-CD1 4.41Å; F205-I208 PolarHBondContact O-N 2.96Å; F205-I208 VanDerWaalsContact O-N 3.14Å; F205-P234 HydrophobicContact CB-CB 3.95Å; F205-P234 HydrophobicContact CB-CG 3.96Å; F205-P234 HydrophobicContact CD1-CB 4.32Å; F205-P234 HydrophobicContact CD2-CB 3.48Å; F205-P234 VanDerWaalsContact CD2-CB 3.48Å; F205-P234 HydrophobicContact CD2-CG 3.77Å; F205-P234 HydrophobicContact CE2-CB 3.93Å; F205-P234 HydrophobicContact CG-CB 3.68Å; F205-P234 HydrophobicContact CG-CG 4.11Å; F205-L238 HydrophobicContact CE1-CD1 4.18Å; F205-L327 HydrophobicContact CE1-CD1 4.45Å; F205-L327 HydrophobicContact CE1-CG 4.41Å; F205-L327 HydrophobicContact CZ-CD1 3.93Å; F205-L327 HydrophobicContact CZ-CD2 3.86Å; F205-L327 HydrophobicContact CZ-CG 3.85Å; F205-A331 HydrophobicContact CD1-CB 4.15Å; F205-A331 HydrophobicContact CE1-CB 3.76Å
206N91.6Very high94Very high55 Ų5531.7 Ų31.729%0.29417%0.165SC..THydrogen-bonded Turntrans-64.7-15-175.968.30.7000114.6A138 I202 G203A138-N206 PolarHBondContact O-ND2 3.26Å; I202-N206 WeakPolarHBondContact O-CB 3.28Å; I202-N206 PolarHBondContact O-N 3.48Å; G203-N206 PolarHBondContact O-OD1 3.28Å
207Q87.6Confident93.8Very high93 Ų9332.9 Ų32.944%0.43517%0.17SC..THydrogen-bonded Turntrans-109.81179.1-75.6173.94.800112.7F205 D209 H212F205-Q207 PolarHBondContact O-N 3.21Å; F205-Q207 VanDerWaalsContact O-N 3.14Å; Q207-D209 VanDerWaalsContact C-N 3.26Å; Q207-D209 PolarHBondContact O-N 3.38Å; Q207-D209 VanDerWaalsContact O-N 3.12Å; Q207-H212 HydrophobicContact CB-CB 4.43Å; Q207-H212 WeakPolarHBondContact O-CB 3.46Å
208I94.2Very high93.8Very high4 Ų434.5 Ų34.52%0.02118%0.176CC..  trans-91.765.6-179.6-49.3-179.2000108.5L204 F205 P234 I237 L238 A331 F334L204-I208 WeakPolarHBondContact O-CD1 3.04Å; F205-I208 HydrophobicContact CD1-CD1 3.85Å; F205-I208 HydrophobicContact CE1-CD1 4.41Å; F205-I208 PolarHBondContact O-N 2.96Å; F205-I208 VanDerWaalsContact O-N 3.14Å; I208-P234 HydrophobicContact CB-CB 4.3Å; I208-P234 HydrophobicContact CG2-CB 4.4Å; I208-I237 HydrophobicContact CG2-CB 4.21Å; I208-I237 HydrophobicContact CG2-CG2 3.77Å; I208-L238 HydrophobicContact CD1-CD1 4.02Å; I208-L238 HydrophobicContact CD1-CD2 3.99Å; I208-L238 HydrophobicContact CD1-CG 4.11Å; I208-L238 HydrophobicContact CG2-CD2 4.44Å; I208-A331 HydrophobicContact CD1-CB 4.15Å; I208-F334 HydrophobicContact CB-CD1 4.41Å; I208-F334 HydrophobicContact CB-CE1 4.13Å; I208-F334 HydrophobicContact CD1-CD1 4.21Å; I208-F334 HydrophobicContact CG1-CD1 3.75Å; I208-F334 HydrophobicContact CG1-CE1 3.91Å; I208-F334 HydrophobicContact CG2-CD1 4.18Å; I208-F334 HydrophobicContact CG2-CE1 3.88Å; I208-F334 HydrophobicContact CG2-CZ 4.18Å
209D91Very high93.7Very high51 Ų5132.1 Ų32.127%0.27317%0.165SC..SBendtrans-147.2167.9178.267.842000112.2Q207 V211 H212 V213 L216Q207-D209 VanDerWaalsContact C-N 3.26Å; Q207-D209 PolarHBondContact O-N 3.38Å; Q207-D209 VanDerWaalsContact O-N 3.12Å; D209-V211 PolarHBondContact O-N 2.89Å; D209-V211 WeakPolarHBondContact OD1-CA 3.17Å; D209-V211 WeakPolarHBondContact OD1-CB 3.28Å; D209-V211 PolarHBondContact OD1-N 3.11Å; D209-H212 IonicContact OD1-CE1 3.97Å; D209-H212 IonicContact OD1-CG 3.36Å; D209-H212 PolarHBondContact OD1-N 3.3Å; D209-H212 IonicContact OD1-ND1 3.83Å; D209-H212 PolarHBondContact OD1-ND1 3.41Å; D209-H212 IonicContact OD2-CE1 2.9Å; D209-H212 PolarHBondContact OD2-CE1 2.98Å; D209-H212 IonicContact OD2-ND1 3.84Å; D209-H212 PolarHBondContact OD2-ND1 3.21Å; D209-V213 PolarHBondContact O-N 2.89Å; D209-L216 VanDerWaalsContact O-CD1 3.26Å; D209-L216 WeakPolarHBondContact O-CD1 3.47Å
210L89.7Confident93.5Very high10 Ų1034.3 Ų34.35%0.05218%0.176CC..THydrogen-bonded Turntrans-68.3-19-177-83.6160.7000113.7P214 L216 F217 I226 L229 Q230 V353L210-P214 VanDerWaalsContact O-CA 3.27Å; L210-P214 WeakPolarHBondContact O-CA 3.39Å; L210-L216 HydrophobicContact CD2-CB 3.82Å; L210-L216 HydrophobicContact CG-CB 4.21Å; L210-F217 HydrophobicContact CD2-CB 4.22Å; L210-I226 HydrophobicContact CD1-CG2 3.73Å; L210-I226 HydrophobicContact CD2-CD1 4.47Å; L210-L229 HydrophobicContact CD1-CB 4.39Å; L210-L229 HydrophobicContact CD1-CD2 3.94Å; L210-L229 HydrophobicContact CD1-CG 4.34Å; L210-L229 HydrophobicContact CD2-CD2 3.9Å; L210-L229 HydrophobicContact CG-CD2 3.98Å; L210-Q230 HydrophobicContact CD1-CG 3.96Å; L210-V353 HydrophobicContact CB-CB 4.43Å; L210-V353 HydrophobicContact CB-CG1 3.79Å; L210-V353 HydrophobicContact CB-CG2 3.72Å; L210-V353 HydrophobicContact CD1-CG2 4.33Å; L210-V353 HydrophobicContact CG-CG2 4.48Å
211V88.3Confident93.3Very high63 Ų6337.5 Ų37.538%0.38219%0.193SC..THydrogen-bonded Turntrans-76.2-47.7179.2-179.60000109.2D209 V353 E355D209-V211 PolarHBondContact O-N 2.89Å; D209-V211 WeakPolarHBondContact OD1-CA 3.17Å; D209-V211 WeakPolarHBondContact OD1-CB 3.28Å; D209-V211 PolarHBondContact OD1-N 3.11Å; V211-V353 HydrophobicContact CG2-CG1 3.68Å; V211-E355 HydrophobicContact CG1-CG 4.44Å; V211-E355 HydrophobicContact CG2-CG 3.98Å
212H90.8Very high93.1Very high108 Ų10844.9 Ų44.950%0.523%0.23SC..THydrogen-bonded Turntrans-79.1-35.4-180-63.593.5000112.3Q207 D209Q207-H212 HydrophobicContact CB-CB 4.43Å; Q207-H212 WeakPolarHBondContact O-CB 3.46Å; D209-H212 IonicContact OD1-CE1 3.97Å; D209-H212 IonicContact OD1-CG 3.36Å; D209-H212 PolarHBondContact OD1-N 3.3Å; D209-H212 IonicContact OD1-ND1 3.83Å; D209-H212 PolarHBondContact OD1-ND1 3.41Å; D209-H212 IonicContact OD2-CE1 2.9Å; D209-H212 PolarHBondContact OD2-CE1 2.98Å; D209-H212 IonicContact OD2-ND1 3.84Å; D209-H212 PolarHBondContact OD2-ND1 3.21Å
213V93Very high92.8Very high25 Ų2547.1 Ų47.115%0.15226%0.262CS..  trans-127.480179-170.60000109.9D209 G215 L216 F334 P338 L340D209-V213 PolarHBondContact O-N 2.89Å; V213-G215 PolarHBondContact O-N 2.62Å; V213-L216 HydrophobicContact CB-CD1 4.22Å; V213-L216 HydrophobicContact CB-CG 4.02Å; V213-L216 HydrophobicContact CG1-CG 4.1Å; V213-L216 VanDerWaalsContact O-CB 3.32Å; V213-L216 WeakPolarHBondContact O-CB 3.35Å; V213-L216 VanDerWaalsContact O-CG 3.3Å; V213-L216 WeakPolarHBondContact O-CG 3.19Å; V213-L216 PolarHBondContact O-N 2.99Å; V213-F334 HydrophobicContact CB-CZ 4.14Å; V213-F334 HydrophobicContact CG1-CZ 4.06Å; V213-F334 HydrophobicContact CG2-CE1 3.93Å; V213-F334 HydrophobicContact CG2-CZ 3.96Å; V213-P338 HydrophobicContact CG1-CB 4.17Å; V213-P338 HydrophobicContact CG1-CG 4.49Å; V213-L340 HydrophobicContact CG1-CD1 4.46Å
214P91.1Very high92.7Very high53 Ų5349 Ų4934%0.34427%0.266SS..G310 helixtrans-55-29.4-180-28.635.7000113.7L210 L216 F217 P343L210-P214 VanDerWaalsContact O-CA 3.27Å; L210-P214 WeakPolarHBondContact O-CA 3.39Å; P214-L216 PolarHBondContact O-N 3.27Å; P214-F217 WeakPolarHBondContact O-CD1 3.4Å; P214-F217 PolarHBondContact O-N 3.08Å; P214-P343 HydrophobicContact CB-CG 3.97Å
215G93.5Very high92.4Very high4 Ų452.7 Ų52.74%0.04129%0.286CS..G310 helixtrans-59.5-13175.100000115.1V213 F217 R218V213-G215 PolarHBondContact O-N 2.62Å; G215-F217 PolarHBondContact O-N 3.04Å; G215-F217 VanDerWaalsContact O-N 3.13Å; G215-R218 WeakPolarHBondContact O-CB 3.34Å; G215-R218 WeakPolarHBondContact O-CG 3.41Å; G215-R218 PolarHBondContact O-N 3.4Å; G215-R218 VanDerWaalsContact O-N 3.07Å
216L94.8Very high92.1Very high0 Ų053 Ų530%029%0.288CS..G310 helixtrans-57.9-23.4175.5-77.6177.8000113.7D209 L210 V213 P214 R218 L219 L229 I237 F334 L340D209-L216 VanDerWaalsContact O-CD1 3.26Å; D209-L216 WeakPolarHBondContact O-CD1 3.47Å; L210-L216 HydrophobicContact CD2-CB 3.82Å; L210-L216 HydrophobicContact CG-CB 4.21Å; V213-L216 HydrophobicContact CB-CD1 4.22Å; V213-L216 HydrophobicContact CB-CG 4.02Å; V213-L216 HydrophobicContact CG1-CG 4.1Å; V213-L216 VanDerWaalsContact O-CB 3.32Å; V213-L216 WeakPolarHBondContact O-CB 3.35Å; V213-L216 VanDerWaalsContact O-CG 3.3Å; V213-L216 WeakPolarHBondContact O-CG 3.19Å; V213-L216 PolarHBondContact O-N 2.99Å; P214-L216 PolarHBondContact O-N 3.27Å; L216-R218 PolarHBondContact O-N 2.58Å; L216-L219 HydrophobicContact CD2-CD1 3.46Å; L216-L219 VanDerWaalsContact CD2-CD1 3.46Å; L216-L219 HydrophobicContact CD2-CG 4.32Å; L216-L219 WeakPolarHBondContact O-CB 3.26Å; L216-L219 VanDerWaalsContact O-CG 3.28Å; L216-L219 WeakPolarHBondContact O-CG 3.37Å; L216-L219 PolarHBondContact O-N 2.88Å; L216-L229 HydrophobicContact CB-CD2 4.12Å; L216-L229 VanDerWaalsContact O-CD2 3.25Å; L216-L229 WeakPolarHBondContact O-CD2 3.42Å; L216-I237 HydrophobicContact CD1-CG2 4.2Å; L216-I237 HydrophobicContact CD2-CG2 3.55Å; L216-F334 HydrophobicContact CD1-CZ 4.33Å; L216-F334 HydrophobicContact CD2-CE2 3.66Å; L216-F334 HydrophobicContact CD2-CZ 3.63Å; L216-F334 HydrophobicContact CG-CZ 4.15Å; L216-L340 HydrophobicContact CD2-CD1 3.83Å; L216-L340 HydrophobicContact CG-CD1 4.33Å
217F93.2Very high91.9Very high26 Ų2652.9 Ų52.911%0.11429%0.292CS..G310 helixtrans-57.8-22174.785.1-72.2000113.4L210 P214 G215 L219 L220 I226 P343 E347 I351L210-F217 HydrophobicContact CD2-CB 4.22Å; P214-F217 WeakPolarHBondContact O-CD1 3.4Å; P214-F217 PolarHBondContact O-N 3.08Å; G215-F217 PolarHBondContact O-N 3.04Å; G215-F217 VanDerWaalsContact O-N 3.13Å; F217-L219 PolarHBondContact O-N 3.21Å; F217-L219 VanDerWaalsContact O-N 3.11Å; F217-L220 WeakPolarHBondContact O-CB 3.18Å; F217-L220 WeakPolarHBondContact O-CD1 3.43Å; F217-L220 VanDerWaalsContact O-CG 3.24Å; F217-L220 WeakPolarHBondContact O-CG 3.35Å; F217-L220 PolarHBondContact O-N 3.07Å; F217-I226 HydrophobicContact CB-CD1 3.7Å; F217-P343 HydrophobicContact CD1-CB 4.48Å; F217-P343 HydrophobicContact CE1-CB 3.64Å; F217-P343 HydrophobicContact CE1-CG 4.26Å; F217-P343 HydrophobicContact CZ-CB 3.82Å; F217-E347 HydrophobicContact CE2-CB 4.2Å; F217-E347 HydrophobicContact CE2-CG 4.4Å; F217-E347 HydrophobicContact CZ-CB 4.06Å; F217-E347 HydrophobicContact CZ-CG 4.37Å; F217-I351 HydrophobicContact CB-CD1 4.05Å; F217-I351 HydrophobicContact CB-CG1 4.28Å; F217-I351 HydrophobicContact CD1-CD1 3.59Å; F217-I351 HydrophobicContact CD2-CD1 3.92Å; F217-I351 HydrophobicContact CD2-CG1 4.44Å; F217-I351 HydrophobicContact CE1-CD1 3.83Å; F217-I351 HydrophobicContact CE2-CD1 4.16Å; F217-I351 HydrophobicContact CG-CD1 3.58Å; F217-I351 HydrophobicContact CG-CG1 4.23Å; F217-I351 HydrophobicContact CZ-CD1 4.06Å
218R94.9Very high92Very high58 Ų5850.6 Ų50.622%0.21928%0.283CS..G310 helixtrans-63.2-13.6172.9-58.2-61-173.1-167.6-5.4113.5G215 L216 Y244 K341 P342 E347G215-R218 WeakPolarHBondContact O-CB 3.34Å; G215-R218 WeakPolarHBondContact O-CG 3.41Å; G215-R218 PolarHBondContact O-N 3.4Å; G215-R218 VanDerWaalsContact O-N 3.07Å; L216-R218 PolarHBondContact O-N 2.58Å; R218-Y244 HydrophobicContact CB-CE2 4.02Å; R218-K341 PolarHBondContact NE-O 2.82Å; R218-P342 PolarHBondContact NH2-O 3.36Å; R218-E347 IonicContact CZ-OE1 2.73Å; R218-E347 VanDerWaalsContact CZ-OE1 3.3Å; R218-E347 IonicContact CZ-OE2 3.52Å; R218-E347 IonicContact NH1-OE1 3.73Å; R218-E347 PolarHBondContact NH1-OE1 3.28Å; R218-E347 IonicContact NH1-OE2 3.82Å; R218-E347 VanDerWaalsContact NH2-CD 3.33Å; R218-E347 IonicContact NH2-OE1 2.87Å; R218-E347 PolarHBondContact NH2-OE1 2.91Å; R218-E347 VanDerWaalsContact NH2-OE1 3.16Å; R218-E347 IonicContact NH2-OE2 2.84Å; R218-E347 PolarHBondContact NH2-OE2 3.05Å
219L96.1Very high91.9Very high0 Ų050.5 Ų50.50%028%0.282CS..G310 helixtrans-911.1179.8-52-173000113.6L216 F217 N221 L229 I237 R240 W241 Y244 L340L216-L219 HydrophobicContact CD2-CD1 3.46Å; L216-L219 VanDerWaalsContact CD2-CD1 3.46Å; L216-L219 HydrophobicContact CD2-CG 4.32Å; L216-L219 WeakPolarHBondContact O-CB 3.26Å; L216-L219 VanDerWaalsContact O-CG 3.28Å; L216-L219 WeakPolarHBondContact O-CG 3.37Å; L216-L219 PolarHBondContact O-N 2.88Å; F217-L219 PolarHBondContact O-N 3.21Å; F217-L219 VanDerWaalsContact O-N 3.11Å; L219-N221 PolarHBondContact O-N 3.23Å; L219-L229 HydrophobicContact CB-CD1 4.36Å; L219-I237 HydrophobicContact CD1-CG2 4.02Å; L219-R240 HydrophobicContact CB-CB 4.16Å; L219-R240 HydrophobicContact CD1-CB 4.3Å; L219-R240 PolarHBondContact O-NH1 3.13Å; L219-W241 HydrophobicContact CD1-CB 3.82Å; L219-W241 HydrophobicContact CD2-CB 4.38Å; L219-Y244 VanDerWaalsContact CD2-CB 3.48Å; L219-Y244 HydrophobicContact CD2-CD1 4.37Å; L219-Y244 HydrophobicContact CD2-CD2 4.2Å; L219-Y244 HydrophobicContact CD2-CG 3.78Å; L219-L340 HydrophobicContact CD2-CD1 4.5Å; L219-L340 HydrophobicContact CD2-CD2 4.07Å; L219-L340 HydrophobicContact CG-CD1 4.44Å
220L94.1Very high91.7Very high46 Ų4649.7 Ų49.724%0.24128%0.277CS..PPolyproline II helixtrans-61.8132.5171.4-68.9171.7000110F217 E224 N225 I226 L229F217-L220 WeakPolarHBondContact O-CB 3.18Å; F217-L220 WeakPolarHBondContact O-CD1 3.43Å; F217-L220 VanDerWaalsContact O-CG 3.24Å; F217-L220 WeakPolarHBondContact O-CG 3.35Å; F217-L220 PolarHBondContact O-N 3.07Å; L220-E224 HydrophobicContact CD2-CB 3.92Å; L220-N225 VanDerWaalsContact CD2-C 3.47Å; L220-N225 WeakPolarHBondContact CD2-O 3.3Å; L220-I226 HydrophobicContact CD1-CD1 4.19Å; L220-L229 HydrophobicContact CD2-CB 3.92Å
221N93Very high91.6Very high67 Ų6755 Ų5536%0.35830%0.296SS..PPolyproline II helixtrans-79.5168167.4-58-55.9000109.9L219 G223 E224 R240L219-N221 PolarHBondContact O-N 3.23Å; N221-G223 PolarHBondContact O-N 3.45Å; N221-E224 HydrophobicContact CB-CG 4.22Å; N221-E224 WeakPolarHBondContact CB-OE2 3.42Å; N221-E224 PolarHBondContact N-OE2 2.76Å; N221-E224 PolarHBondContact ND2-OE1 3.32Å; N221-E224 PolarHBondContact ND2-OE2 3.21Å; N221-E224 PolarHBondContact O-N 3.39Å; N221-E224 VanDerWaalsContact O-N 3.11Å; N221-R240 VanDerWaalsContact ND2-CZ 3.3Å; N221-R240 PolarHBondContact ND2-NH1 2.86Å; N221-R240 PolarHBondContact ND2-NH2 3.08Å
222E91.1Very high91.8Very high206 Ų20653.2 Ų53.296%0.96328%0.284SS*.THydrogen-bonded Turntrans-56.2125.5175.1-170179.2179.100111.2
223G92.4Very high91.9Very high82 Ų8248.7 Ų48.785%0.84527%0.265SS*.THydrogen-bonded Turntrans85.2-1.7179.400000115.8N221N221-G223 PolarHBondContact O-N 3.45Å
224E93.9Very high91.9Very high55 Ų5548.5 Ų48.526%0.25726%0.264SS..  trans-89.9155.7174.8-66.6178.6160.900112.2L220 N221 D228 R240L220-E224 HydrophobicContact CD2-CB 3.92Å; N221-E224 HydrophobicContact CB-CG 4.22Å; N221-E224 WeakPolarHBondContact CB-OE2 3.42Å; N221-E224 PolarHBondContact N-OE2 2.76Å; N221-E224 PolarHBondContact ND2-OE1 3.32Å; N221-E224 PolarHBondContact ND2-OE2 3.21Å; N221-E224 PolarHBondContact O-N 3.39Å; N221-E224 VanDerWaalsContact O-N 3.11Å; E224-D228 HydrophobicContact CB-CB 4.15Å; E224-D228 HydrophobicContact CG-CB 4.36Å; E224-R240 IonicContact OE1-CZ 3.26Å; E224-R240 IonicContact OE1-NH1 2.65Å; E224-R240 IonicContact OE1-NH2 3.32Å; E224-R240 PolarHBondContact OE1-NH2 3.06Å; E224-R240 IonicContact OE2-CZ 2.96Å; E224-R240 IonicContact OE2-NH1 3.36Å; E224-R240 PolarHBondContact OE2-NH1 3.29Å; E224-R240 IonicContact OE2-NH2 3.78Å; E224-R240 PolarHBondContact OE2-NH2 3.11Å
225N90.3Very high92.1Very high83 Ų8348 Ų4844%0.44426%0.257SS..  trans-120.5176173.96250.6000112.1L220 S227 D228 L229L220-N225 VanDerWaalsContact CD2-C 3.47Å; L220-N225 WeakPolarHBondContact CD2-O 3.3Å; N225-S227 PolarHBondContact O-N 2.75Å; N225-S227 WeakPolarHBondContact OD1-CA 3.35Å; N225-S227 VanDerWaalsContact OD1-CB 3.25Å; N225-S227 WeakPolarHBondContact OD1-CB 3.44Å; N225-S227 PolarHBondContact OD1-N 3.24Å; N225-D228 PolarHBondContact N-OD2 3.42Å; N225-D228 PolarHBondContact ND2-OD2 3.48Å; N225-D228 WeakPolarHBondContact O-CB 3.33Å; N225-D228 PolarHBondContact O-N 3.02Å; N225-D228 PolarHBondContact OD1-N 3.06Å; N225-D228 VanDerWaalsContact OD1-N 3.09Å; N225-D228 PolarHBondContact OD1-OD2 2.82Å; N225-L229 PolarHBondContact O-N 3.45Å
226I89.7Confident92.2Very high24 Ų2452.1 Ų52.112%0.12328%0.275CS..Hα-helixtrans-53.3-39.7179.6-63.7-62.9000112.5L210 F217 L220 D228 L229 Q230 I351L210-I226 HydrophobicContact CD1-CG2 3.73Å; L210-I226 HydrophobicContact CD2-CD1 4.47Å; F217-I226 HydrophobicContact CB-CD1 3.7Å; L220-I226 HydrophobicContact CD1-CD1 4.19Å; I226-D228 VanDerWaalsContact C-N 3.28Å; I226-D228 PolarHBondContact O-N 3.26Å; I226-L229 WeakPolarHBondContact O-CB 3.38Å; I226-L229 PolarHBondContact O-N 3.28Å; I226-L229 VanDerWaalsContact O-N 3.1Å; I226-Q230 HydrophobicContact CG2-CG 4.42Å; I226-Q230 WeakPolarHBondContact O-CG 3.45Å; I226-Q230 PolarHBondContact O-N 3.5Å; I226-I351 HydrophobicContact CD1-CG1 4.14Å
227S87.7Confident92.3Very high53 Ų5352.7 Ų52.737%0.37128%0.278SS..Hα-helixtrans-65.6-29.8178.1-51.90000112.9N225 L229 R231N225-S227 PolarHBondContact O-N 2.75Å; N225-S227 WeakPolarHBondContact OD1-CA 3.35Å; N225-S227 VanDerWaalsContact OD1-CB 3.25Å; N225-S227 WeakPolarHBondContact OD1-CB 3.44Å; N225-S227 PolarHBondContact OD1-N 3.24Å; S227-L229 VanDerWaalsContact C-N 3.33Å; S227-R231 WeakPolarHBondContact O-CD 3.29Å; S227-R231 VanDerWaalsContact O-CG 3.24Å; S227-R231 WeakPolarHBondContact O-CG 3.43Å; S227-R231 PolarHBondContact O-N 3.47Å
228D90.3Very high92.6Very high44 Ų4451.4 Ų51.424%0.23527%0.273CS..Hα-helixtrans-69.2-35.3173.6-62-49.1000111.5E224 N225 I226 R231E224-D228 HydrophobicContact CB-CB 4.15Å; E224-D228 HydrophobicContact CG-CB 4.36Å; N225-D228 PolarHBondContact N-OD2 3.42Å; N225-D228 PolarHBondContact ND2-OD2 3.48Å; N225-D228 WeakPolarHBondContact O-CB 3.33Å; N225-D228 PolarHBondContact O-N 3.02Å; N225-D228 PolarHBondContact OD1-N 3.06Å; N225-D228 VanDerWaalsContact OD1-N 3.09Å; N225-D228 PolarHBondContact OD1-OD2 2.82Å; I226-D228 VanDerWaalsContact C-N 3.28Å; I226-D228 PolarHBondContact O-N 3.26Å; D228-R231 IonicContact OD1-CZ 3.6Å; D228-R231 IonicContact OD1-NH1 3.79Å; D228-R231 PolarHBondContact OD1-NH1 3.35Å
229L90.2Very high92.7Very high2 Ų250.1 Ų50.11%0.0127%0.27CS..Hα-helixtrans-70.7-40.8175.7-167.866.1000112L210 L216 L219 L220 N225 I226 S227 R231 L232L210-L229 HydrophobicContact CD1-CB 4.39Å; L210-L229 HydrophobicContact CD1-CD2 3.94Å; L210-L229 HydrophobicContact CD1-CG 4.34Å; L210-L229 HydrophobicContact CD2-CD2 3.9Å; L210-L229 HydrophobicContact CG-CD2 3.98Å; L216-L229 HydrophobicContact CB-CD2 4.12Å; L216-L229 VanDerWaalsContact O-CD2 3.25Å; L216-L229 WeakPolarHBondContact O-CD2 3.42Å; L219-L229 HydrophobicContact CB-CD1 4.36Å; L220-L229 HydrophobicContact CD2-CB 3.92Å; N225-L229 PolarHBondContact O-N 3.45Å; I226-L229 WeakPolarHBondContact O-CB 3.38Å; I226-L229 PolarHBondContact O-N 3.28Å; I226-L229 VanDerWaalsContact O-N 3.1Å; S227-L229 VanDerWaalsContact C-N 3.33Å; L229-R231 PolarHBondContact O-N 3Å; L229-L232 HydrophobicContact CD1-CD1 3.78Å; L229-L232 WeakPolarHBondContact O-CB 3.46Å; L229-L232 PolarHBondContact O-N 3.36Å; L229-L232 VanDerWaalsContact O-N 3.09Å
230Q86.9Confident92.8Very high35 Ų3552 Ų5216%0.16428%0.277CS..Hα-helixtrans-61.1-26.1176.8-73.5178.2-51.200113.5L210 I226 L232 E354L210-Q230 HydrophobicContact CD1-CG 3.96Å; I226-Q230 HydrophobicContact CG2-CG 4.42Å; I226-Q230 WeakPolarHBondContact O-CG 3.45Å; I226-Q230 PolarHBondContact O-N 3.5Å; Q230-L232 VanDerWaalsContact C-N 3.29Å; Q230-E354 PolarHBondContact NE2-O 2.94Å
231R88.6Confident93Very high121 Ų12149.9 Ų49.946%0.45727%0.266SS..THydrogen-bonded Turntrans-79.4-10.5177.9-67.6167.4-172.4156.71.8113.4S227 D228 L229S227-R231 WeakPolarHBondContact O-CD 3.29Å; S227-R231 VanDerWaalsContact O-CG 3.24Å; S227-R231 WeakPolarHBondContact O-CG 3.43Å; S227-R231 PolarHBondContact O-N 3.47Å; D228-R231 IonicContact OD1-CZ 3.6Å; D228-R231 IonicContact OD1-NH1 3.79Å; D228-R231 PolarHBondContact OD1-NH1 3.35Å; L229-R231 PolarHBondContact O-N 3Å
232L91.8Very high93.3Very high25 Ų2546.7 Ų46.713%0.13125%0.249CC..SBendtrans-77.9142.8-178.9-60.8-175000111L229 Q230 Q236 I237L229-L232 HydrophobicContact CD1-CD1 3.78Å; L229-L232 WeakPolarHBondContact O-CB 3.46Å; L229-L232 PolarHBondContact O-N 3.36Å; L229-L232 VanDerWaalsContact O-N 3.09Å; Q230-L232 VanDerWaalsContact C-N 3.29Å; L232-Q236 HydrophobicContact CB-CB 4.04Å; L232-Q236 HydrophobicContact CD1-CB 4.41Å; L232-Q236 HydrophobicContact CD2-CB 4.3Å; L232-Q236 HydrophobicContact CG-CB 4.49Å; L232-I237 HydrophobicContact CB-CD1 4.44Å; L232-I237 HydrophobicContact CB-CG1 3.85Å; L232-I237 HydrophobicContact CD1-CG1 4.28Å
233S92.8Very high93.6Very high14 Ų1437.6 Ų37.610%0.09821%0.207CC..  trans-64.5153.5163.463.70000110.6E235 Q236 I237S233-E235 PolarHBondContact O-N 2.65Å; S233-E235 VanDerWaalsContact O-N 3.12Å; S233-Q236 WeakPolarHBondContact O-CB 3.44Å; S233-Q236 PolarHBondContact O-N 3.48Å; S233-Q236 WeakPolarHBondContact OG-CG 3.48Å; S233-Q236 PolarHBondContact OG-N 2.97Å; S233-Q236 PolarHBondContact OG-OE1 3.17Å; S233-I237 PolarHBondContact O-N 2.92Å
234P94.6Very high93.9Very high20 Ų2035.4 Ų35.413%0.1317%0.173CC..Hα-helixtrans-53.7-34.4174.9-29.336000113.4F205 I208 I237 L238F205-P234 HydrophobicContact CB-CB 3.95Å; F205-P234 HydrophobicContact CB-CG 3.96Å; F205-P234 HydrophobicContact CD1-CB 4.32Å; F205-P234 HydrophobicContact CD2-CB 3.48Å; F205-P234 VanDerWaalsContact CD2-CB 3.48Å; F205-P234 HydrophobicContact CD2-CG 3.77Å; F205-P234 HydrophobicContact CE2-CB 3.93Å; F205-P234 HydrophobicContact CG-CB 3.68Å; F205-P234 HydrophobicContact CG-CG 4.11Å; I208-P234 HydrophobicContact CB-CB 4.3Å; I208-P234 HydrophobicContact CG2-CB 4.4Å; P234-I237 WeakPolarHBondContact O-CB 3.49Å; P234-I237 PolarHBondContact O-N 3.43Å; P234-L238 VanDerWaalsContact O-CG 3.32Å; P234-L238 WeakPolarHBondContact O-CG 3.32Å; P234-L238 PolarHBondContact O-N 3.28Å
235E95.3Very high94.1Very high44 Ų4433 Ų3321%0.20616%0.162CC..Hα-helixtrans-64-42.6175.8-175.7-180160.300112.6S233 I237 L238 I239 F258 Y323 L327S233-E235 PolarHBondContact O-N 2.65Å; S233-E235 VanDerWaalsContact O-N 3.12Å; E235-I237 VanDerWaalsContact C-N 3.31Å; E235-L238 PolarHBondContact O-N 3.39Å; E235-I239 WeakPolarHBondContact O-CG1 3.37Å; E235-I239 PolarHBondContact O-N 3.01Å; E235-F258 HydrophobicContact CG-CD2 4.15Å; E235-F258 HydrophobicContact CG-CE2 3.68Å; E235-Y323 PolarHBondContact OE1-OH 2.85Å; E235-Y323 PolarHBondContact OE2-OH 3.35Å; E235-L327 HydrophobicContact CB-CD1 4.34Å; E235-L327 HydrophobicContact CG-CD1 3.9Å; E235-L327 HydrophobicContact CG-CD2 4.35Å
236Q95.7Very high94.4Very high90 Ų9029.1 Ų29.142%0.42114%0.141SC..Hα-helixtrans-66.4-36.1175.1-71.9165.4-55.800111.5L232 S233 I239 R240L232-Q236 HydrophobicContact CB-CB 4.04Å; L232-Q236 HydrophobicContact CD1-CB 4.41Å; L232-Q236 HydrophobicContact CD2-CB 4.3Å; L232-Q236 HydrophobicContact CG-CB 4.49Å; S233-Q236 WeakPolarHBondContact O-CB 3.44Å; S233-Q236 PolarHBondContact O-N 3.48Å; S233-Q236 WeakPolarHBondContact OG-CG 3.48Å; S233-Q236 PolarHBondContact OG-N 2.97Å; S233-Q236 PolarHBondContact OG-OE1 3.17Å; Q236-I239 PolarHBondContact O-N 3.03Å; Q236-R240 WeakPolarHBondContact O-CG 3.19Å; Q236-R240 PolarHBondContact O-N 3.03Å
237I96.8Very high94.8Very high11 Ų1133.3 Ų33.36%0.05616%0.155CC..Hα-helixtrans-61.3-47.9172.6-65.7172.6000109.9I208 L216 L219 L232 S233 P234 E235 I239 R240 W241I208-I237 HydrophobicContact CG2-CB 4.21Å; I208-I237 HydrophobicContact CG2-CG2 3.77Å; L216-I237 HydrophobicContact CD1-CG2 4.2Å; L216-I237 HydrophobicContact CD2-CG2 3.55Å; L219-I237 HydrophobicContact CD1-CG2 4.02Å; L232-I237 HydrophobicContact CB-CD1 4.44Å; L232-I237 HydrophobicContact CB-CG1 3.85Å; L232-I237 HydrophobicContact CD1-CG1 4.28Å; S233-I237 PolarHBondContact O-N 2.92Å; P234-I237 WeakPolarHBondContact O-CB 3.49Å; P234-I237 PolarHBondContact O-N 3.43Å; E235-I237 VanDerWaalsContact C-N 3.31Å; I237-I239 VanDerWaalsContact C-N 3.33Å; I237-I239 PolarHBondContact O-N 3.04Å; I237-R240 PolarHBondContact O-N 3.13Å; I237-R240 VanDerWaalsContact O-N 3.17Å; I237-W241 VanDerWaalsContact O-CB 3.31Å; I237-W241 WeakPolarHBondContact O-CB 3.4Å; I237-W241 PolarHBondContact O-N 2.85Å
238L98.3Very high95.1Very high0 Ų036 Ų360%016%0.162CC..Hα-helixtrans-60.4-40.3176.9-70.6176.2000112.3F205 I208 P234 E235 R240 W241 V242 F258 L327 V330 A331 F334F205-L238 HydrophobicContact CE1-CD1 4.18Å; I208-L238 HydrophobicContact CD1-CD1 4.02Å; I208-L238 HydrophobicContact CD1-CD2 3.99Å; I208-L238 HydrophobicContact CD1-CG 4.11Å; I208-L238 HydrophobicContact CG2-CD2 4.44Å; P234-L238 VanDerWaalsContact O-CG 3.32Å; P234-L238 WeakPolarHBondContact O-CG 3.32Å; P234-L238 PolarHBondContact O-N 3.28Å; E235-L238 PolarHBondContact O-N 3.39Å; L238-R240 PolarHBondContact O-N 2.95Å; L238-W241 HydrophobicContact CD2-CE3 4.24Å; L238-W241 WeakPolarHBondContact O-CB 3.34Å; L238-W241 PolarHBondContact O-N 3.04Å; L238-V242 WeakPolarHBondContact O-CG2 3.3Å; L238-V242 PolarHBondContact O-N 3.05Å; L238-F258 HydrophobicContact CB-CZ 4.03Å; L238-L327 HydrophobicContact CD1-CD1 3.9Å; L238-V330 HydrophobicContact CB-CG1 4.21Å; L238-V330 HydrophobicContact CD1-CG1 4.43Å; L238-V330 HydrophobicContact CD2-CG1 4.28Å; L238-A331 HydrophobicContact CD1-CB 3.78Å; L238-F334 HydrophobicContact CD2-CB 3.5Å; L238-F334 VanDerWaalsContact CD2-CB 3.5Å; L238-F334 HydrophobicContact CD2-CD1 4.44Å; L238-F334 HydrophobicContact CD2-CD2 4.02Å; L238-F334 HydrophobicContact CD2-CG 3.72Å
239I98.4Very high95.4Very high31 Ų3135 Ų3516%0.15916%0.161CC..Hα-helixtrans-60.5-46.8174.7-71.4169000111E235 Q236 I237 W241 V242 N243 L255 F258E235-I239 WeakPolarHBondContact O-CG1 3.37Å; E235-I239 PolarHBondContact O-N 3.01Å; Q236-I239 PolarHBondContact O-N 3.03Å; I237-I239 VanDerWaalsContact C-N 3.33Å; I237-I239 PolarHBondContact O-N 3.04Å; I239-W241 VanDerWaalsContact C-N 3.31Å; I239-W241 PolarHBondContact O-N 2.8Å; I239-V242 PolarHBondContact O-N 3Å; I239-N243 WeakPolarHBondContact O-CB 3.48Å; I239-N243 PolarHBondContact O-N 2.57Å; I239-N243 PolarHBondContact O-ND2 3.08Å; I239-N243 VanDerWaalsContact O-ND2 3.14Å; I239-L255 HydrophobicContact CG1-CD2 4.21Å; I239-L255 WeakPolarHBondContact CG2-O 3.42Å; I239-F258 HydrophobicContact CD1-CE2 4.02Å; I239-F258 HydrophobicContact CG1-CE2 3.56Å; I239-F258 HydrophobicContact CG1-CZ 3.72Å
240R97.6Very high95.7Very high40 Ų4042.3 Ų42.315%0.15120%0.199CC..Hα-helixtrans-64.3-38.2177.2-70.9-178.9177-150.11.8112.2L219 N221 E224 Q236 I237 L238 N243 Y244L219-R240 HydrophobicContact CB-CB 4.16Å; L219-R240 HydrophobicContact CD1-CB 4.3Å; L219-R240 PolarHBondContact O-NH1 3.13Å; N221-R240 VanDerWaalsContact ND2-CZ 3.3Å; N221-R240 PolarHBondContact ND2-NH1 2.86Å; N221-R240 PolarHBondContact ND2-NH2 3.08Å; E224-R240 IonicContact OE1-CZ 3.26Å; E224-R240 IonicContact OE1-NH1 2.65Å; E224-R240 IonicContact OE1-NH2 3.32Å; E224-R240 PolarHBondContact OE1-NH2 3.06Å; E224-R240 IonicContact OE2-CZ 2.96Å; E224-R240 IonicContact OE2-NH1 3.36Å; E224-R240 PolarHBondContact OE2-NH1 3.29Å; E224-R240 IonicContact OE2-NH2 3.78Å; E224-R240 PolarHBondContact OE2-NH2 3.11Å; Q236-R240 WeakPolarHBondContact O-CG 3.19Å; Q236-R240 PolarHBondContact O-N 3.03Å; I237-R240 PolarHBondContact O-N 3.13Å; I237-R240 VanDerWaalsContact O-N 3.17Å; L238-R240 PolarHBondContact O-N 2.95Å; R240-N243 PolarHBondContact O-N 2.88Å; R240-Y244 WeakPolarHBondContact O-CB 3.47Å; R240-Y244 PolarHBondContact O-N 2.88Å
241W98.1Very high96.1Very high0 Ų041.3 Ų41.30%020%0.196CC..Hα-helixtrans-62.1-49.5177.1171.274.4000112.2L219 I237 L238 I239 N243 Y244 H245 L271 I275 V330 L333 F334 P338L219-W241 HydrophobicContact CD1-CB 3.82Å; L219-W241 HydrophobicContact CD2-CB 4.38Å; I237-W241 VanDerWaalsContact O-CB 3.31Å; I237-W241 WeakPolarHBondContact O-CB 3.4Å; I237-W241 PolarHBondContact O-N 2.85Å; L238-W241 HydrophobicContact CD2-CE3 4.24Å; L238-W241 WeakPolarHBondContact O-CB 3.34Å; L238-W241 PolarHBondContact O-N 3.04Å; I239-W241 VanDerWaalsContact C-N 3.31Å; I239-W241 PolarHBondContact O-N 2.8Å; W241-N243 VanDerWaalsContact C-N 3.33Å; W241-N243 PolarHBondContact O-N 3.31Å; W241-Y244 WeakPolarHBondContact O-CB 3.37Å; W241-Y244 PolarHBondContact O-N 3.15Å; W241-H245 AromaticContact CD1-CD2 3.8Å; W241-H245 AromaticContact CD1-NE2 3.82Å; W241-H245 AromaticContact CE2-CD2 3.61Å; W241-H245 AromaticContact CE2-NE2 3.8Å; W241-H245 AromaticContact NE1-CD2 3.36Å; W241-H245 PolarHBondContact NE1-CD2 3.5Å; W241-H245 AromaticContact NE1-NE2 3.19Å; W241-H245 PolarHBondContact NE1-NE2 2.91Å; W241-H245 VanDerWaalsContact NE1-NE2 3.19Å; W241-H245 PolarHBondContact O-CD2 2.73Å; W241-H245 PolarHBondContact O-N 3.46Å; W241-L271 HydrophobicContact CH2-CD1 3.92Å; W241-L271 HydrophobicContact CH2-CD2 4.03Å; W241-L271 HydrophobicContact CH2-CG 4.28Å; W241-L271 HydrophobicContact CZ2-CD1 4.24Å; W241-L271 HydrophobicContact CZ3-CD1 4.11Å; W241-L271 HydrophobicContact CZ3-CD2 3.83Å; W241-L271 HydrophobicContact CZ3-CG 4.47Å; W241-I275 HydrophobicContact CH2-CD1 4.09Å; W241-I275 HydrophobicContact CH2-CG2 4.46Å; W241-I275 HydrophobicContact CZ2-CD1 4.28Å; W241-I275 HydrophobicContact CZ2-CG2 3.86Å; W241-V330 HydrophobicContact CE3-CG1 4.11Å; W241-V330 HydrophobicContact CZ3-CG1 3.77Å; W241-L333 HydrophobicContact CH2-CB 4.01Å; W241-F334 HydrophobicContact CB-CD2 4.43Å; W241-F334 AromaticContact CD1-CD2 3.71Å; W241-F334 AromaticContact CD1-CE2 3.83Å; W241-F334 HydrophobicContact CD2-CB 4.48Å; W241-F334 AromaticContact CD2-CD2 3.67Å; W241-F334 HydrophobicContact CD2-CD2 3.67Å; W241-F334 AromaticContact CE2-CD2 3.69Å; W241-F334 HydrophobicContact CE3-CB 4.34Å; W241-F334 HydrophobicContact CE3-CD2 4.27Å; W241-F334 AromaticContact CG-CD2 3.7Å; W241-F334 HydrophobicContact CG-CD2 3.7Å; W241-F334 HydrophobicContact CG-CE2 4.09Å; W241-F334 HydrophobicContact CH2-CB 4.19Å; W241-F334 HydrophobicContact CZ2-CB 4.32Å; W241-F334 HydrophobicContact CZ2-CD2 4.31Å; W241-F334 HydrophobicContact CZ3-CB 4.19Å; W241-F334 AromaticContact NE1-CD2 3.66Å; W241-P338 PolarHBondContact NE1-O 3.2Å
242V98.5Very high96.2Very high0 Ų041 Ų410%021%0.21CC..Hα-helixtrans-58.9-48.7174.8174.40000110L238 I239 Y244 H245 L246 L255 I267 L271 V330L238-V242 WeakPolarHBondContact O-CG2 3.3Å; L238-V242 PolarHBondContact O-N 3.05Å; I239-V242 PolarHBondContact O-N 3Å; V242-Y244 VanDerWaalsContact C-N 3.29Å; V242-Y244 PolarHBondContact O-N 3.48Å; V242-H245 PolarHBondContact O-N 3.46Å; V242-H245 VanDerWaalsContact O-N 3.16Å; V242-L246 HydrophobicContact CG1-CD1 3.98Å; V242-L246 HydrophobicContact CG1-CG 4.17Å; V242-L246 WeakPolarHBondContact O-CG 3.02Å; V242-L246 PolarHBondContact O-N 3.03Å; V242-L255 HydrophobicContact CB-CB 4.46Å; V242-L255 HydrophobicContact CB-CD2 3.8Å; V242-L255 HydrophobicContact CG1-CB 4.01Å; V242-L255 HydrophobicContact CG1-CD2 3.91Å; V242-L255 HydrophobicContact CG2-CD2 3.9Å; V242-I267 HydrophobicContact CG1-CG2 3.61Å; V242-L271 HydrophobicContact CG1-CD2 4.43Å; V242-L271 HydrophobicContact CG2-CD1 4.45Å; V242-L271 HydrophobicContact CG2-CD2 3.86Å; V242-V330 HydrophobicContact CG2-CG1 3.88Å
243N98.3Very high96.2Very high15 Ų1545 Ų458%0.0823%0.227CC..Hα-helixtrans-64.8-30.8-179.7-74-34.8000113.6I239 R240 W241 R247 Q254 L255I239-N243 WeakPolarHBondContact O-CB 3.48Å; I239-N243 PolarHBondContact O-N 2.57Å; I239-N243 PolarHBondContact O-ND2 3.08Å; I239-N243 VanDerWaalsContact O-ND2 3.14Å; R240-N243 PolarHBondContact O-N 2.88Å; W241-N243 VanDerWaalsContact C-N 3.33Å; W241-N243 PolarHBondContact O-N 3.31Å; N243-R247 WeakPolarHBondContact O-CG 3.26Å; N243-R247 PolarHBondContact O-N 3.35Å; N243-Q254 WeakPolarHBondContact OD1-CA 3.31Å; N243-L255 PolarHBondContact ND2-O 3.34Å; N243-L255 PolarHBondContact OD1-N 3.16Å
244Y97.6Very high96.2Very high36 Ų3649.6 Ų49.614%0.14125%0.247CC..Hα-helixtrans-60.2-51.3171.5169.2-90.4000110.5R218 L219 R240 W241 V242 R247 Q248 L340R218-Y244 HydrophobicContact CB-CE2 4.02Å; L219-Y244 VanDerWaalsContact CD2-CB 3.48Å; L219-Y244 HydrophobicContact CD2-CD1 4.37Å; L219-Y244 HydrophobicContact CD2-CD2 4.2Å; L219-Y244 HydrophobicContact CD2-CG 3.78Å; R240-Y244 WeakPolarHBondContact O-CB 3.47Å; R240-Y244 PolarHBondContact O-N 2.88Å; W241-Y244 WeakPolarHBondContact O-CB 3.37Å; W241-Y244 PolarHBondContact O-N 3.15Å; V242-Y244 VanDerWaalsContact C-N 3.29Å; V242-Y244 PolarHBondContact O-N 3.48Å; Y244-R247 PolarHBondContact O-N 3.29Å; Y244-Q248 HydrophobicContact CD1-CG 4.38Å; Y244-Q248 HydrophobicContact CE1-CG 3.97Å; Y244-Q248 HydrophobicContact CE2-CG 4.47Å; Y244-Q248 WeakPolarHBondContact O-CG 3.41Å; Y244-Q248 PolarHBondContact O-N 3.11Å; Y244-L340 HydrophobicContact CD1-CD2 3.66Å; Y244-L340 HydrophobicContact CE1-CD2 3.58Å; Y244-L340 HydrophobicContact CG-CD2 4.39Å
245H97.9Very high96.4Very high5 Ų548.6 Ų48.62%0.02324%0.241CC..Hα-helixtrans-66-38.1179.6-77.3-59000113.2W241 V242 R247 Q248 A249 L271 Q274 P338 G339W241-H245 AromaticContact CD1-CD2 3.8Å; W241-H245 AromaticContact CD1-NE2 3.82Å; W241-H245 AromaticContact CE2-CD2 3.61Å; W241-H245 AromaticContact CE2-NE2 3.8Å; W241-H245 AromaticContact NE1-CD2 3.36Å; W241-H245 PolarHBondContact NE1-CD2 3.5Å; W241-H245 AromaticContact NE1-NE2 3.19Å; W241-H245 PolarHBondContact NE1-NE2 2.91Å; W241-H245 VanDerWaalsContact NE1-NE2 3.19Å; W241-H245 PolarHBondContact O-CD2 2.73Å; W241-H245 PolarHBondContact O-N 3.46Å; V242-H245 PolarHBondContact O-N 3.46Å; V242-H245 VanDerWaalsContact O-N 3.16Å; H245-R247 VanDerWaalsContact C-N 3.32Å; H245-R247 PolarHBondContact O-N 2.62Å; H245-Q248 PolarHBondContact O-N 2.86Å; H245-A249 PolarHBondContact O-N 3.29Å; H245-L271 HydrophobicContact CB-CD1 3.83Å; H245-Q274 HydrophobicContact CB-CB 4.19Å; H245-P338 PolarHBondContact NE2-O 3.32Å; H245-G339 PolarHBondContact CE1-O 3.32Å; H245-G339 VanDerWaalsContact CE1-O 3.26Å
246L98Very high96.5Very high2 Ų251.7 Ų51.71%0.0126%0.259CS..Hα-helixtrans-61.4-40.1173.8-66.2-179.8000111.9V242 A249 D250 V251 H253 I267V242-L246 HydrophobicContact CG1-CD1 3.98Å; V242-L246 HydrophobicContact CG1-CG 4.17Å; V242-L246 WeakPolarHBondContact O-CG 3.02Å; V242-L246 PolarHBondContact O-N 3.03Å; L246-A249 CarbonylContact O-C 3.54Å; L246-A249 WeakPolarHBondContact O-CB 3.46Å; L246-A249 PolarHBondContact O-N 3.45Å; L246-A249 VanDerWaalsContact O-N 3.17Å; L246-D250 PolarHBondContact O-N 2.89Å; L246-V251 HydrophobicContact CB-CB 4.22Å; L246-V251 HydrophobicContact CD2-CB 4.22Å; L246-V251 HydrophobicContact CD2-CG1 4.13Å; L246-V251 HydrophobicContact CD2-CG2 4.49Å; L246-V251 WeakPolarHBondContact O-CB 3.33Å; L246-V251 PolarHBondContact O-N 2.93Å; L246-H253 WeakPolarHBondContact CD1-O 3.39Å; L246-I267 HydrophobicContact CD1-CD1 4.39Å; L246-I267 HydrophobicContact CD1-CG1 4.13Å; L246-I267 HydrophobicContact CD1-CG2 4.04Å; L246-I267 HydrophobicContact CD2-CG2 4.47Å
247R96.9Very high96.5Very high111 Ų11149.4 Ų49.442%0.41925%0.249SC..Hα-helixtrans-65.5-41174.4-73.8-174.5-60.8-104.96.7112.5N243 Y244 H245 A249 D250N243-R247 WeakPolarHBondContact O-CG 3.26Å; N243-R247 PolarHBondContact O-N 3.35Å; Y244-R247 PolarHBondContact O-N 3.29Å; H245-R247 VanDerWaalsContact C-N 3.32Å; H245-R247 PolarHBondContact O-N 2.62Å; R247-A249 PolarHBondContact O-N 3.18Å; R247-D250 PolarHBondContact O-N 2.6Å; R247-D250 VanDerWaalsContact O-N 3.11Å
248Q95.7Very high96.4Very high109 Ų10949 Ų4951%0.50925%0.247SC..Hα-helixtrans-63.2-22.2174.2-64.2-58.4-38.400112.6Y244 H245Y244-Q248 HydrophobicContact CD1-CG 4.38Å; Y244-Q248 HydrophobicContact CE1-CG 3.97Å; Y244-Q248 HydrophobicContact CE2-CG 4.47Å; Y244-Q248 WeakPolarHBondContact O-CG 3.41Å; Y244-Q248 PolarHBondContact O-N 3.11Å; H245-Q248 PolarHBondContact O-N 2.86Å
249A95.5Very high96.3Very high25 Ų2551.2 Ų51.221%0.20726%0.261CS..THydrogen-bonded Turntrans-92.34176.200000114.6H245 L246 R247 V251 Q274H245-A249 PolarHBondContact O-N 3.29Å; L246-A249 CarbonylContact O-C 3.54Å; L246-A249 WeakPolarHBondContact O-CB 3.46Å; L246-A249 PolarHBondContact O-N 3.45Å; L246-A249 VanDerWaalsContact O-N 3.17Å; R247-A249 PolarHBondContact O-N 3.18Å; A249-V251 HydrophobicContact CB-CG2 3.68Å; A249-V251 PolarHBondContact O-N 2.99Å; A249-Q274 VanDerWaalsContact CA-NE2 3.29Å; A249-Q274 HydrophobicContact CB-CG 3.69Å
250D96.7Very high96.2Very high154 Ų15453.8 Ų53.882%0.82428%0.278SS*.THydrogen-bonded Turntrans53.131.8-171.1-63.1-55.2000113.4L246 R247L246-D250 PolarHBondContact O-N 2.89Å; R247-D250 PolarHBondContact O-N 2.6Å; R247-D250 VanDerWaalsContact O-N 3.11Å
251V95.8Very high96.1Very high14 Ų1453.9 Ų53.99%0.08528%0.282CS..  trans-85.9123.4178.51760000109.1L246 A249 H253 Y270L246-V251 HydrophobicContact CB-CB 4.22Å; L246-V251 HydrophobicContact CD2-CB 4.22Å; L246-V251 HydrophobicContact CD2-CG1 4.13Å; L246-V251 HydrophobicContact CD2-CG2 4.49Å; L246-V251 WeakPolarHBondContact O-CB 3.33Å; L246-V251 PolarHBondContact O-N 2.93Å; A249-V251 HydrophobicContact CB-CG2 3.68Å; A249-V251 PolarHBondContact O-N 2.99Å; V251-H253 VanDerWaalsContact C-N 3.28Å; V251-H253 HydrophobicContact CG1-CB 4.14Å; V251-H253 PolarHBondContact O-N 2.88Å; V251-Y270 HydrophobicContact CG1-CD2 3.96Å; V251-Y270 HydrophobicContact CG1-CE2 4.18Å; V251-Y270 HydrophobicContact CG1-CG 4.46Å; V251-Y270 HydrophobicContact CG2-CD1 3.49Å; V251-Y270 VanDerWaalsContact CG2-CD1 3.49Å; V251-Y270 HydrophobicContact CG2-CD2 3.73Å; V251-Y270 HydrophobicContact CG2-CE1 3.78Å; V251-Y270 HydrophobicContact CG2-CE2 4.01Å; V251-Y270 HydrophobicContact CG2-CG 3.47Å; V251-Y270 VanDerWaalsContact CG2-CG 3.47Å
252P90.2Very high96.1Very high116 Ų11653.9 Ų53.975%0.75328%0.282SS*.  trans-74.6-17.4-175.828.6-35.8000113.9
253H91.2Very high96Very high107 Ų10757 Ų5750%0.49530%0.296SS..  trans-76.5145.7-179.9-63.189.7000110.9L246 V251L246-H253 WeakPolarHBondContact CD1-O 3.39Å; V251-H253 VanDerWaalsContact C-N 3.28Å; V251-H253 HydrophobicContact CG1-CB 4.14Å; V251-H253 PolarHBondContact O-N 2.88Å
254Q94.3Very high95.9Very high111 Ų11158.7 Ų58.752%0.51931%0.305SS..  trans-125.2140175.8-67.4-176.8-800109.8N243 N256N243-Q254 WeakPolarHBondContact OD1-CA 3.31Å; Q254-N256 PolarHBondContact O-ND2 2.95Å
255L97.8Very high95.9Very high0 Ų057 Ų570%030%0.298CS..  trans-79.7123.3170.5-175.177.5000109.2I239 V242 N243 N257 F258 D261 V262 I267I239-L255 HydrophobicContact CG1-CD2 4.21Å; I239-L255 WeakPolarHBondContact CG2-O 3.42Å; V242-L255 HydrophobicContact CB-CB 4.46Å; V242-L255 HydrophobicContact CB-CD2 3.8Å; V242-L255 HydrophobicContact CG1-CB 4.01Å; V242-L255 HydrophobicContact CG1-CD2 3.91Å; V242-L255 HydrophobicContact CG2-CD2 3.9Å; N243-L255 PolarHBondContact ND2-O 3.34Å; N243-L255 PolarHBondContact OD1-N 3.16Å; L255-N257 VanDerWaalsContact CD1-O 3.24Å; L255-N257 WeakPolarHBondContact CD1-O 3.4Å; L255-F258 HydrophobicContact CD2-CD1 4.1Å; L255-F258 HydrophobicContact CD2-CE1 3.48Å; L255-F258 VanDerWaalsContact CD2-CE1 3.48Å; L255-F258 HydrophobicContact CD2-CZ 3.83Å; L255-D261 HydrophobicContact CD1-CB 4.09Å; L255-V262 HydrophobicContact CD1-CG1 3.38Å; L255-I267 HydrophobicContact CB-CD1 4.06Å; L255-I267 HydrophobicContact CD1-CD1 4.04Å; L255-I267 HydrophobicContact CD1-CG2 4.45Å
256N97.1Very high95.9Very high109 Ų10957.7 Ų57.758%0.58330%0.303SS*.  trans-116.2-18.5171.4-58.1-82.4000112.3Q254 D261Q254-N256 PolarHBondContact O-ND2 2.95Å; N256-D261 WeakPolarHBondContact CA-OD2 3.34Å; N256-D261 WeakPolarHBondContact CB-OD2 3.24Å; N256-D261 PolarHBondContact N-OD2 3.25Å; N256-D261 PolarHBondContact ND2-OD2 2.99Å
257N95.7Very high95.9Very high42 Ų4257.8 Ų57.823%0.22530%0.304CS..  trans-155.6153.3179.765.185.8000111L255 T259 T260 D261L255-N257 VanDerWaalsContact CD1-O 3.24Å; L255-N257 WeakPolarHBondContact CD1-O 3.4Å; N257-T259 PolarHBondContact O-N 3.11Å; N257-T259 WeakPolarHBondContact OD1-CA 3.48Å; N257-T259 WeakPolarHBondContact OD1-CB 3.41Å; N257-T259 PolarHBondContact OD1-N 3.24Å; N257-T259 PolarHBondContact OD1-OG1 3.12Å; N257-T260 PolarHBondContact ND2-OG1 3.46Å; N257-T260 PolarHBondContact OD1-N 3.45Å; N257-T260 PolarHBondContact OD1-OG1 3Å; N257-D261 PolarHBondContact N-OD2 3.11Å; N257-D261 PolarHBondContact ND2-OD1 3.31Å; N257-D261 PolarHBondContact ND2-OD2 2.91Å; N257-D261 VanDerWaalsContact ND2-OD2 3.09Å
258F95.4Very high96Very high1 Ų152.5 Ų52.50%0.00428%0.284CS..SBendtrans-86.229.6175.8-61.1-76.4000113.1E235 L238 I239 L255 Y323 N326 L327 V330E235-F258 HydrophobicContact CG-CD2 4.15Å; E235-F258 HydrophobicContact CG-CE2 3.68Å; L238-F258 HydrophobicContact CB-CZ 4.03Å; I239-F258 HydrophobicContact CD1-CE2 4.02Å; I239-F258 HydrophobicContact CG1-CE2 3.56Å; I239-F258 HydrophobicContact CG1-CZ 3.72Å; L255-F258 HydrophobicContact CD2-CD1 4.1Å; L255-F258 HydrophobicContact CD2-CE1 3.48Å; L255-F258 VanDerWaalsContact CD2-CE1 3.48Å; L255-F258 HydrophobicContact CD2-CZ 3.83Å; F258-Y323 HydrophobicContact CB-CD2 4.05Å; F258-Y323 HydrophobicContact CB-CE2 4.41Å; F258-Y323 HydrophobicContact CD2-CE2 4.44Å; F258-N326 HydrophobicContact CB-CB 4.12Å; F258-N326 WeakPolarHBondContact O-CB 3.39Å; F258-L327 HydrophobicContact CD2-CB 4.41Å; F258-L327 HydrophobicContact CD2-CD1 3.82Å; F258-L327 HydrophobicContact CE2-CD1 3.62Å; F258-L327 HydrophobicContact CG-CB 4.39Å; F258-L327 HydrophobicContact CG-CD1 4.41Å; F258-L327 HydrophobicContact CZ-CD1 4.05Å; F258-V330 HydrophobicContact CD1-CB 4.46Å; F258-V330 HydrophobicContact CD1-CG2 4.02Å; F258-V330 HydrophobicContact CE1-CB 3.89Å; F258-V330 HydrophobicContact CE1-CG1 3.77Å; F258-V330 HydrophobicContact CE1-CG2 3.75Å; F258-V330 HydrophobicContact CZ-CG1 4.26Å
259T95.2Very high96.1Very high48 Ų4847.3 Ų47.329%0.29426%0.26SS..SBendtrans-121.3-90.5-179.559.30000111.4N257 D261 V262 Q263 G321 Y323N257-T259 PolarHBondContact O-N 3.11Å; N257-T259 WeakPolarHBondContact OD1-CA 3.48Å; N257-T259 WeakPolarHBondContact OD1-CB 3.41Å; N257-T259 PolarHBondContact OD1-N 3.24Å; N257-T259 PolarHBondContact OD1-OG1 3.12Å; T259-D261 PolarHBondContact O-N 2.92Å; T259-V262 VanDerWaalsContact O-CG2 3.31Å; T259-V262 WeakPolarHBondContact O-CG2 3.28Å; T259-Q263 VanDerWaalsContact O-CG 3.25Å; T259-Q263 WeakPolarHBondContact O-CG 3.4Å; T259-G321 WeakPolarHBondContact O-CA 3.41Å; T259-Y323 HydrophobicContact CG2-CD2 4.22Å; T259-Y323 HydrophobicContact CG2-CG 4.36Å
260T96Very high96.2Very high84 Ų8449.5 Ų49.552%0.51526%0.263SS..G310 helixtrans-66.6-37.3-175.952.20000113.3N257 V262 Q263N257-T260 PolarHBondContact ND2-OG1 3.46Å; N257-T260 PolarHBondContact OD1-N 3.45Å; N257-T260 PolarHBondContact OD1-OG1 3Å; T260-V262 PolarHBondContact O-N 3.33Å; T260-Q263 PolarHBondContact O-N 2.88Å
261D96.8Very high96.3Very high42 Ų4242.1 Ų42.123%0.22522%0.224CC..G310 helixtrans-73.5-15.7-169.5-59.95.2000112.3L255 N256 N257 T259 I267L255-D261 HydrophobicContact CD1-CB 4.09Å; N256-D261 WeakPolarHBondContact CA-OD2 3.34Å; N256-D261 WeakPolarHBondContact CB-OD2 3.24Å; N256-D261 PolarHBondContact N-OD2 3.25Å; N256-D261 PolarHBondContact ND2-OD2 2.99Å; N257-D261 PolarHBondContact N-OD2 3.11Å; N257-D261 PolarHBondContact ND2-OD1 3.31Å; N257-D261 PolarHBondContact ND2-OD2 2.91Å; N257-D261 VanDerWaalsContact ND2-OD2 3.09Å; T259-D261 PolarHBondContact O-N 2.92Å; D261-I267 HydrophobicContact CB-CD1 4.22Å; D261-I267 WeakPolarHBondContact O-CD1 3.38Å
262V96.9Very high96.4Very high0 Ų041.5 Ų41.50%022%0.22CC..G310 helixtrans-105.3-8.2-176.9-58.90000113.7L255 T259 T260 D264 S265 Y268 V318 N326L255-V262 HydrophobicContact CD1-CG1 3.38Å; T259-V262 VanDerWaalsContact O-CG2 3.31Å; T259-V262 WeakPolarHBondContact O-CG2 3.28Å; T260-V262 PolarHBondContact O-N 3.33Å; V262-D264 PolarHBondContact O-N 2.95Å; V262-D264 VanDerWaalsContact O-N 3.15Å; V262-S265 PolarHBondContact O-N 2.86Å; V262-Y268 HydrophobicContact CB-CE1 4.17Å; V262-Y268 HydrophobicContact CB-CE2 3.88Å; V262-Y268 HydrophobicContact CG1-CD1 4.47Å; V262-Y268 HydrophobicContact CG1-CE1 3.68Å; V262-Y268 HydrophobicContact CG1-CE2 4.3Å; V262-Y268 HydrophobicContact CG2-CE2 4.39Å; V262-V318 WeakPolarHBondContact O-CG1 3.32Å; V262-N326 HydrophobicContact CG2-CB 4.4Å
263Q96.8Very high96.8Very high65 Ų6540.3 Ų40.330%0.30420%0.203SC..THydrogen-bonded Turntrans-61.4-29.3-171.6-68.4-174.2-37.600113.8T259 T260 S265 V318 A319 N320T259-Q263 VanDerWaalsContact O-CG 3.25Å; T259-Q263 WeakPolarHBondContact O-CG 3.4Å; T260-Q263 PolarHBondContact O-N 2.88Å; Q263-S265 VanDerWaalsContact C-N 3.32Å; Q263-V318 WeakPolarHBondContact CA-O 3.49Å; Q263-A319 WeakPolarHBondContact CB-O 3.23Å; Q263-A319 WeakPolarHBondContact CG-O 3.47Å; Q263-A319 WeakPolarHBondContact O-CA 3.4Å; Q263-N320 PolarHBondContact NE2-O 3.04Å
264D96.1Very high97.1Very high51 Ų5138.9 Ų38.927%0.27320%0.196SC..THydrogen-bonded Turntrans-91.66.1-179.481.9-5000112.7V262 T266 R296V262-D264 PolarHBondContact O-N 2.95Å; V262-D264 VanDerWaalsContact O-N 3.15Å; D264-T266 HydrophobicContact CB-CG2 4.47Å; D264-T266 VanDerWaalsContact CG-CG2 3.49Å; D264-T266 PolarHBondContact O-N 3.3Å; D264-T266 WeakPolarHBondContact OD1-CB 3.35Å; D264-T266 WeakPolarHBondContact OD1-CG2 3.49Å; D264-T266 PolarHBondContact OD1-N 2.75Å; D264-T266 PolarHBondContact OD1-OG1 3.33Å; D264-T266 WeakPolarHBondContact OD2-CG2 3.47Å; D264-T266 PolarHBondContact OD2-OG1 2.84Å; D264-R296 WeakPolarHBondContact O-CD 2.86Å; D264-R296 PolarHBondContact O-NH1 3.08Å
265S98.1Very high97.2Very high0 Ų034 Ų340%017%0.174CC..SBendtrans55.39.6178.5-55.10000116.1V262 Q263 T269 A297 V318V262-S265 PolarHBondContact O-N 2.86Å; Q263-S265 VanDerWaalsContact C-N 3.32Å; S265-T269 WeakPolarHBondContact O-CB 3.46Å; S265-T269 PolarHBondContact O-N 3.1Å; S265-T269 PolarHBondContact O-OG1 3.48Å; S265-A297 VanDerWaalsContact OG-CA 3.26Å; S265-A297 WeakPolarHBondContact OG-CA 3.32Å; S265-A297 VanDerWaalsContact OG-CB 3.28Å; S265-A297 WeakPolarHBondContact OG-CB 3.29Å; S265-V318 WeakPolarHBondContact OG-CG1 3.22Å
266T97.4Very high97.1Very high21 Ų2134.8 Ų34.813%0.12918%0.18CC..Hα-helixtrans-70.6-49.4-178.458.70000110.6D264 Y268 T269 Y270 L287D264-T266 HydrophobicContact CB-CG2 4.47Å; D264-T266 VanDerWaalsContact CG-CG2 3.49Å; D264-T266 PolarHBondContact O-N 3.3Å; D264-T266 WeakPolarHBondContact OD1-CB 3.35Å; D264-T266 WeakPolarHBondContact OD1-CG2 3.49Å; D264-T266 PolarHBondContact OD1-N 2.75Å; D264-T266 PolarHBondContact OD1-OG1 3.33Å; D264-T266 WeakPolarHBondContact OD2-CG2 3.47Å; D264-T266 PolarHBondContact OD2-OG1 2.84Å; T266-Y268 VanDerWaalsContact C-N 3.34Å; T266-Y268 PolarHBondContact O-N 3.42Å; T266-T269 PolarHBondContact O-N 3.02Å; T266-T269 VanDerWaalsContact O-N 3.15Å; T266-Y270 WeakPolarHBondContact O-CD2 3.39Å; T266-Y270 PolarHBondContact O-N 3.39Å; T266-L287 HydrophobicContact CG2-CD2 4.14Å
267I98.2Very high97Very high3 Ų330.8 Ų30.82%0.01516%0.16CC..Hα-helixtrans-53.7-50.2176.2-71.4-177000110.9V242 L246 L255 D261 T269 Y270 L271V242-I267 HydrophobicContact CG1-CG2 3.61Å; L246-I267 HydrophobicContact CD1-CD1 4.39Å; L246-I267 HydrophobicContact CD1-CG1 4.13Å; L246-I267 HydrophobicContact CD1-CG2 4.04Å; L246-I267 HydrophobicContact CD2-CG2 4.47Å; L255-I267 HydrophobicContact CB-CD1 4.06Å; L255-I267 HydrophobicContact CD1-CD1 4.04Å; L255-I267 HydrophobicContact CD1-CG2 4.45Å; D261-I267 HydrophobicContact CB-CD1 4.22Å; D261-I267 WeakPolarHBondContact O-CD1 3.38Å; I267-T269 PolarHBondContact O-N 2.9Å; I267-Y270 PolarHBondContact O-N 2.94Å; I267-L271 VanDerWaalsContact O-CB 3.26Å; I267-L271 WeakPolarHBondContact O-CB 3.13Å; I267-L271 PolarHBondContact O-N 3.3Å
268Y98.3Very high96.9Very high0 Ų034.1 Ų34.10%018%0.184CC..Hα-helixtrans-65.6-37.4179.8-66.7-20.9000112.9V262 T266 Y270 L271 L272 M300 V318 N326 F329 V330V262-Y268 HydrophobicContact CB-CE1 4.17Å; V262-Y268 HydrophobicContact CB-CE2 3.88Å; V262-Y268 HydrophobicContact CG1-CD1 4.47Å; V262-Y268 HydrophobicContact CG1-CE1 3.68Å; V262-Y268 HydrophobicContact CG1-CE2 4.3Å; V262-Y268 HydrophobicContact CG2-CE2 4.39Å; T266-Y268 VanDerWaalsContact C-N 3.34Å; T266-Y268 PolarHBondContact O-N 3.42Å; Y268-Y270 PolarHBondContact O-N 3.22Å; Y268-L271 PolarHBondContact O-N 2.78Å; Y268-L272 WeakPolarHBondContact O-CB 3.2Å; Y268-L272 VanDerWaalsContact O-CG 3.23Å; Y268-L272 WeakPolarHBondContact O-CG 3.35Å; Y268-L272 PolarHBondContact O-N 3.5Å; Y268-M300 HydrophobicContact CD2-CE 3.75Å; Y268-M300 HydrophobicContact CD2-SD 4.33Å; Y268-M300 HydrophobicContact CG-CE 4.43Å; Y268-M300 HydrophobicContact CG-SD 4.47Å; Y268-V318 HydrophobicContact CD2-CG1 3.99Å; Y268-V318 HydrophobicContact CE2-CG1 3.96Å; Y268-V318 HydrophobicContact CE2-CG2 4.36Å; Y268-N326 VanDerWaalsContact CE2-OD1 3.25Å; Y268-N326 WeakPolarHBondContact CE2-OD1 3.49Å; Y268-N326 VanDerWaalsContact OH-CB 3.3Å; Y268-N326 WeakPolarHBondContact OH-CB 3.26Å; Y268-N326 PolarHBondContact OH-OD1 3.17Å; Y268-F329 HydrophobicContact CD1-CE1 4.41Å; Y268-F329 HydrophobicContact CD2-CD1 4.26Å; Y268-F329 AromaticContact CD2-CE1 3.86Å; Y268-F329 HydrophobicContact CD2-CE1 3.86Å; Y268-F329 HydrophobicContact CE1-CD1 4.5Å; Y268-F329 AromaticContact CE2-CD1 3.94Å; Y268-F329 HydrophobicContact CE2-CD1 3.94Å; Y268-F329 HydrophobicContact CE2-CE1 4.03Å; Y268-F329 HydrophobicContact CG-CE1 4.05Å; Y268-V330 HydrophobicContact CD1-CG2 4.38Å; Y268-V330 HydrophobicContact CE1-CG2 3.43Å; Y268-V330 VanDerWaalsContact CE1-CG2 3.43Å
269T98.3Very high97Very high1 Ų140.5 Ų40.51%0.00621%0.214CC..Hα-helixtrans-62.4-45.3177.5-57.60000111.5S265 T266 I267 K273 L284 P286 L287S265-T269 WeakPolarHBondContact O-CB 3.46Å; S265-T269 PolarHBondContact O-N 3.1Å; S265-T269 PolarHBondContact O-OG1 3.48Å; T266-T269 PolarHBondContact O-N 3.02Å; T266-T269 VanDerWaalsContact O-N 3.15Å; I267-T269 PolarHBondContact O-N 2.9Å; T269-K273 PolarHBondContact O-N 2.99Å; T269-L284 HydrophobicContact CG2-CD2 4.01Å; T269-P286 HydrophobicContact CG2-CB 3.9Å; T269-P286 HydrophobicContact CG2-CG 3.91Å; T269-L287 HydrophobicContact CG2-CD2 3.89Å; T269-L287 HydrophobicContact CG2-CG 3.81Å
270Y98.4Very high97Very high70 Ų7041.9 Ų41.928%0.27521%0.214SC..Hα-helixtrans-67-42.6176-75.4-66.4000112.3V251 T266 I267 Y268 K273 Q274 L284 L287V251-Y270 HydrophobicContact CG1-CD2 3.96Å; V251-Y270 HydrophobicContact CG1-CE2 4.18Å; V251-Y270 HydrophobicContact CG1-CG 4.46Å; V251-Y270 HydrophobicContact CG2-CD1 3.49Å; V251-Y270 VanDerWaalsContact CG2-CD1 3.49Å; V251-Y270 HydrophobicContact CG2-CD2 3.73Å; V251-Y270 HydrophobicContact CG2-CE1 3.78Å; V251-Y270 HydrophobicContact CG2-CE2 4.01Å; V251-Y270 HydrophobicContact CG2-CG 3.47Å; V251-Y270 VanDerWaalsContact CG2-CG 3.47Å; T266-Y270 WeakPolarHBondContact O-CD2 3.39Å; T266-Y270 PolarHBondContact O-N 3.39Å; I267-Y270 PolarHBondContact O-N 2.94Å; Y268-Y270 PolarHBondContact O-N 3.22Å; Y270-K273 PolarHBondContact O-N 2.83Å; Y270-Q274 PolarHBondContact O-N 3.32Å; Y270-L284 HydrophobicContact CD1-CD1 4.38Å; Y270-L284 HydrophobicContact CD1-CD2 3.78Å; Y270-L284 HydrophobicContact CE1-CD1 4.04Å; Y270-L284 HydrophobicContact CE1-CD2 4.1Å; Y270-L287 HydrophobicContact CD1-CD1 4.47Å; Y270-L287 HydrophobicContact CD2-CD1 4.49Å; Y270-L287 HydrophobicContact CE1-CD1 3.76Å; Y270-L287 HydrophobicContact CE2-CD1 3.78Å; Y270-L287 HydrophobicContact CE2-CD2 4.33Å; Y270-L287 WeakPolarHBondContact OH-CD1 3.35Å
271L98.3Very high97Very high0 Ų043.3 Ų43.30%022%0.218CC..Hα-helixtrans-57.9-52.5177.1177.765.5000111.2W241 V242 H245 I267 Y268 K273 Q274 I275 L333W241-L271 HydrophobicContact CH2-CD1 3.92Å; W241-L271 HydrophobicContact CH2-CD2 4.03Å; W241-L271 HydrophobicContact CH2-CG 4.28Å; W241-L271 HydrophobicContact CZ2-CD1 4.24Å; W241-L271 HydrophobicContact CZ3-CD1 4.11Å; W241-L271 HydrophobicContact CZ3-CD2 3.83Å; W241-L271 HydrophobicContact CZ3-CG 4.47Å; V242-L271 HydrophobicContact CG1-CD2 4.43Å; V242-L271 HydrophobicContact CG2-CD1 4.45Å; V242-L271 HydrophobicContact CG2-CD2 3.86Å; H245-L271 HydrophobicContact CB-CD1 3.83Å; I267-L271 VanDerWaalsContact O-CB 3.26Å; I267-L271 WeakPolarHBondContact O-CB 3.13Å; I267-L271 PolarHBondContact O-N 3.3Å; Y268-L271 PolarHBondContact O-N 2.78Å; L271-K273 VanDerWaalsContact C-N 3.26Å; L271-K273 PolarHBondContact O-N 3.22Å; L271-Q274 PolarHBondContact O-N 3.47Å; L271-I275 HydrophobicContact CD1-CG2 3.89Å; L271-I275 HydrophobicContact CG-CD1 4.34Å; L271-I275 WeakPolarHBondContact O-CG1 3.22Å; L271-I275 PolarHBondContact O-N 2.83Å; L271-L333 HydrophobicContact CD2-CD1 4.21Å
272L98.4Very high97.1Very high0 Ų041.4 Ų41.40%021%0.208CC..Hα-helixtrans-54.9-43.4177.7-74.5169.4000111.4Y268 Q274 A276 V282 M300 E303 A304 L307 L333Y268-L272 WeakPolarHBondContact O-CB 3.2Å; Y268-L272 VanDerWaalsContact O-CG 3.23Å; Y268-L272 WeakPolarHBondContact O-CG 3.35Å; Y268-L272 PolarHBondContact O-N 3.5Å; L272-Q274 VanDerWaalsContact C-N 3.32Å; L272-Q274 PolarHBondContact O-N 3.02Å; L272-A276 WeakPolarHBondContact O-CB 3.39Å; L272-A276 PolarHBondContact O-N 3.45Å; L272-A276 VanDerWaalsContact O-N 3.11Å; L272-V282 HydrophobicContact CB-CG1 4.1Å; L272-M300 HydrophobicContact CD1-CG 3.83Å; L272-M300 WeakPolarHBondContact CD1-O 3.49Å; L272-M300 HydrophobicContact CD1-SD 3.54Å; L272-M300 VanDerWaalsContact CD1-SD 3.54Å; L272-E303 HydrophobicContact CD1-CB 4.19Å; L272-A304 HydrophobicContact CD1-CB 4.04Å; L272-A304 HydrophobicContact CD2-CB 3.97Å; L272-L307 HydrophobicContact CD2-CD1 3.8Å; L272-L333 HydrophobicContact CD2-CD1 4.26Å; L272-L333 HydrophobicContact CD2-CD2 3.64Å
273K97.8Very high97.1Very high92 Ų9243.3 Ų43.340%0.422%0.22SC..Hα-helixtrans-64.3-36.3178.1179.758.4-176.4167.90113T269 Y270 L271 V282 L284T269-K273 PolarHBondContact O-N 2.99Å; Y270-K273 PolarHBondContact O-N 2.83Å; L271-K273 VanDerWaalsContact C-N 3.26Å; L271-K273 PolarHBondContact O-N 3.22Å; K273-V282 HydrophobicContact CB-CG1 4.37Å; K273-V282 HydrophobicContact CD-CG1 4.46Å; K273-V282 WeakPolarHBondContact CD-O 3.29Å; K273-V282 WeakPolarHBondContact CE-O 3.47Å; K273-V282 PolarHBondContact NZ-O 3.34Å; K273-L284 HydrophobicContact CB-CD2 3.69Å; K273-L284 HydrophobicContact CB-CG 4.4Å; K273-L284 HydrophobicContact CG-CD2 3.94Å; K273-L284 HydrophobicContact CG-CG 4.14Å
274Q96.9Very high97.2Very high76 Ų7643.3 Ų43.336%0.35522%0.222SC..Hα-helixtrans-74.2-41.8-179.3-80.6-64.8-22.500113.2H245 A249 Y270 L271 L272H245-Q274 HydrophobicContact CB-CB 4.19Å; A249-Q274 VanDerWaalsContact CA-NE2 3.29Å; A249-Q274 HydrophobicContact CB-CG 3.69Å; Y270-Q274 PolarHBondContact O-N 3.32Å; L271-Q274 PolarHBondContact O-N 3.47Å; L272-Q274 VanDerWaalsContact C-N 3.32Å; L272-Q274 PolarHBondContact O-N 3.02Å
275I96.9Very high97.3Very high9 Ų945.2 Ų45.25%0.04623%0.232CC..Hα-helixtrans-84.5-19-175.270.5-176000113W241 L271 L307 L333 W337W241-I275 HydrophobicContact CH2-CD1 4.09Å; W241-I275 HydrophobicContact CH2-CG2 4.46Å; W241-I275 HydrophobicContact CZ2-CD1 4.28Å; W241-I275 HydrophobicContact CZ2-CG2 3.86Å; L271-I275 HydrophobicContact CD1-CG2 3.89Å; L271-I275 HydrophobicContact CG-CD1 4.34Å; L271-I275 WeakPolarHBondContact O-CG1 3.22Å; L271-I275 PolarHBondContact O-N 2.83Å; I275-L307 HydrophobicContact CG1-CD1 4.25Å; I275-L333 HydrophobicContact CD1-CB 4.21Å; I275-L333 HydrophobicContact CD1-CD2 4.24Å; I275-W337 HydrophobicContact CB-CB 4.22Å; I275-W337 HydrophobicContact CD1-CB 4.08Å; I275-W337 HydrophobicContact CG1-CB 4.13Å
276A97Very high97.3Very high16 Ų1645.2 Ų45.213%0.13223%0.232CC..SBendtrans-70.6132.6-179.600000112.4L272 V282 L307L272-A276 WeakPolarHBondContact O-CB 3.39Å; L272-A276 PolarHBondContact O-N 3.45Å; L272-A276 VanDerWaalsContact O-N 3.11Å; A276-V282 HydrophobicContact CB-CB 3.63Å; A276-V282 HydrophobicContact CB-CG1 4.27Å; A276-V282 HydrophobicContact CB-CG2 3.51Å; A276-L307 HydrophobicContact CB-CD1 4.1Å; A276-L307 HydrophobicContact CB-CD2 3.77Å; A276-L307 HydrophobicContact CB-CG 4.41Å
277P95Very high97.2Very high26 Ų2645.7 Ų45.717%0.16923%0.233CC..  trans-59.2146.6164.5-21.631.9000111.7E279 R280 W337P277-E279 HydrophobicContact CB-CG 4.16Å; P277-E279 WeakPolarHBondContact CB-OE1 3.46Å; P277-E279 WeakPolarHBondContact CB-OE2 3.45Å; P277-E279 PolarHBondContact O-N 3.36Å; P277-E279 VanDerWaalsContact O-N 3.14Å; P277-R280 HydrophobicContact CB-CG 4.39Å; P277-R280 HydrophobicContact CG-CG 4.33Å; P277-R280 PolarHBondContact O-N 2.59Å; P277-W337 VanDerWaalsContact CD-CZ3 3.47Å; P277-W337 HydrophobicContact CG-CE3 3.81Å; P277-W337 HydrophobicContact CG-CH2 3.61Å; P277-W337 HydrophobicContact CG-CZ3 3.14Å
278P93.6Very high97.2Very high112 Ų11250.9 Ų50.973%0.72726%0.261SS*.G310 helixtrans-52.4-38.1-178.7-27.835.3000114.2R280 N281P278-R280 PolarHBondContact O-N 3.32Å; P278-N281 PolarHBondContact O-N 3.31Å
279E95.9Very high97Very high135 Ų13553.8 Ų53.863%0.63127%0.273SS*.G310 helixtrans-66.1-20.6-178.661-89.1-158.200114.4P277 N281P277-E279 HydrophobicContact CB-CG 4.16Å; P277-E279 WeakPolarHBondContact CB-OE1 3.46Å; P277-E279 WeakPolarHBondContact CB-OE2 3.45Å; P277-E279 PolarHBondContact O-N 3.36Å; P277-E279 VanDerWaalsContact O-N 3.14Å; E279-N281 PolarHBondContact O-N 3.04Å; E279-N281 PolarHBondContact O-ND2 3.42Å
280R95.8Very high96.7Very high77 Ų7761 Ų6129%0.29131%0.306SS..G310 helixtrans-77-7.5177.2-63.5-63.3-164.8136.4-8.6112.5P277 P278 V282 K306 L307 E308P277-R280 HydrophobicContact CB-CG 4.39Å; P277-R280 HydrophobicContact CG-CG 4.33Å; P277-R280 PolarHBondContact O-N 2.59Å; P278-R280 PolarHBondContact O-N 3.32Å; R280-V282 HydrophobicContact CB-CG2 4.37Å; R280-V282 PolarHBondContact O-N 3.2Å; R280-K306 WeakPolarHBondContact CD-O 3.42Å; R280-K306 PolarHBondContact NH1-O 3.46Å; R280-L307 HydrophobicContact CB-CD2 3.79Å; R280-L307 HydrophobicContact CG-CD2 3.76Å; R280-E308 IonicContact CZ-OE1 2.87Å; R280-E308 IonicContact NH1-OE1 3.23Å; R280-E308 PolarHBondContact NH1-OE1 3.22Å; R280-E308 IonicContact NH2-OE1 3.24Å; R280-E308 PolarHBondContact NH2-OE1 3.01Å
281N96.4Very high96.3Very high113 Ų11361.6 Ų61.660%0.60433%0.333SS*.  trans52.638175.4-61.5-64.6000113.7P278 E279 T283 K306P278-N281 PolarHBondContact O-N 3.31Å; E279-N281 PolarHBondContact O-N 3.04Å; E279-N281 PolarHBondContact O-ND2 3.42Å; N281-T283 WeakPolarHBondContact O-CG2 3.31Å; N281-K306 PolarHBondContact O-NZ 2.84Å
282V97.9Very high96.1Very high3 Ų365 Ų652%0.01835%0.352CS..  trans-69.9136.8171.9174.30000109.5L272 K273 A276 R280 E303 K306 L307L272-V282 HydrophobicContact CB-CG1 4.1Å; K273-V282 HydrophobicContact CB-CG1 4.37Å; K273-V282 HydrophobicContact CD-CG1 4.46Å; K273-V282 WeakPolarHBondContact CD-O 3.29Å; K273-V282 WeakPolarHBondContact CE-O 3.47Å; K273-V282 PolarHBondContact NZ-O 3.34Å; A276-V282 HydrophobicContact CB-CB 3.63Å; A276-V282 HydrophobicContact CB-CG1 4.27Å; A276-V282 HydrophobicContact CB-CG2 3.51Å; R280-V282 HydrophobicContact CB-CG2 4.37Å; R280-V282 PolarHBondContact O-N 3.2Å; V282-E303 VanDerWaalsContact CA-OE2 3.26Å; V282-E303 WeakPolarHBondContact CA-OE2 3.34Å; V282-E303 HydrophobicContact CG1-CB 4.23Å; V282-K306 HydrophobicContact CG2-CB 4.14Å; V282-K306 HydrophobicContact CG2-CD 4.21Å; V282-L307 HydrophobicContact CG2-CD1 4.45Å; V282-L307 HydrophobicContact CG2-CD2 4.08Å; V282-L307 HydrophobicContact CG2-CG 4.05Å
283T97.9Very high96Very high39 Ų3967.9 Ų67.924%0.23937%0.367CS..  trans-128.1166.1-173.573.70000112.4N281 N285 E303N281-T283 WeakPolarHBondContact O-CG2 3.31Å; T283-N285 VanDerWaalsContact C-N 3.29Å; T283-N285 WeakPolarHBondContact OG1-CB 3.42Å; T283-N285 VanDerWaalsContact OG1-CG 3.22Å; T283-N285 PolarHBondContact OG1-N 3.18Å; T283-N285 PolarHBondContact OG1-ND2 3.46Å; T283-E303 PolarHBondContact N-OE2 2.74Å; T283-E303 PolarHBondContact OG1-OE1 3.26Å
284L98.1Very high95.9Very high66 Ų6667.2 Ų67.235%0.34637%0.367SS..SBendtrans-90.813.2172.6-63.1177.6000112.8T269 Y270 K273 P286 L287T269-L284 HydrophobicContact CG2-CD2 4.01Å; Y270-L284 HydrophobicContact CD1-CD1 4.38Å; Y270-L284 HydrophobicContact CD1-CD2 3.78Å; Y270-L284 HydrophobicContact CE1-CD1 4.04Å; Y270-L284 HydrophobicContact CE1-CD2 4.1Å; K273-L284 HydrophobicContact CB-CD2 3.69Å; K273-L284 HydrophobicContact CB-CG 4.4Å; K273-L284 HydrophobicContact CG-CD2 3.94Å; K273-L284 HydrophobicContact CG-CG 4.14Å; L284-P286 VanDerWaalsContact C-N 3.26Å; L284-L287 HydrophobicContact CB-CD1 4.08Å; L284-L287 HydrophobicContact CB-CG 4.47Å; L284-L287 HydrophobicContact CD2-CD1 4.2Å; L284-L287 WeakPolarHBondContact O-CB 3.42Å; L284-L287 WeakPolarHBondContact O-CG 3.34Å; L284-L287 PolarHBondContact O-N 2.93Å
285N97.9Very high96Very high90 Ų9070 Ų7048%0.48137%0.374SS..G310 helixtrans-52.2-34.4179.7-73.3-16.1000114.8T283 L287 N288T283-N285 VanDerWaalsContact C-N 3.29Å; T283-N285 WeakPolarHBondContact OG1-CB 3.42Å; T283-N285 VanDerWaalsContact OG1-CG 3.22Å; T283-N285 PolarHBondContact OG1-N 3.18Å; T283-N285 PolarHBondContact OG1-ND2 3.46Å; N285-L287 PolarHBondContact O-N 3.04Å; N285-L287 VanDerWaalsContact O-N 3.14Å; N285-N288 WeakPolarHBondContact O-CB 3.48Å; N285-N288 PolarHBondContact O-N 3.42Å; N285-N288 VanDerWaalsContact O-N 3.11Å; N285-N288 PolarHBondContact O-ND2 2.84Å
286P98Very high96Very high1 Ų170.6 Ų70.61%0.00638%0.376CS..G310 helixtrans-55.6-31175.8-26.234.6000113T269 L284 N288 Y289 R296 E299 M300 E303T269-P286 HydrophobicContact CG2-CB 3.9Å; T269-P286 HydrophobicContact CG2-CG 3.91Å; L284-P286 VanDerWaalsContact C-N 3.26Å; P286-N288 PolarHBondContact O-N 3.42Å; P286-N288 VanDerWaalsContact O-N 3.09Å; P286-Y289 WeakPolarHBondContact O-CD2 3.31Å; P286-Y289 PolarHBondContact O-N 2.95Å; P286-Y289 VanDerWaalsContact O-N 3.14Å; P286-R296 HydrophobicContact CB-CG 4.35Å; P286-R296 WeakPolarHBondContact O-CG 3.38Å; P286-E299 HydrophobicContact CB-CB 4.08Å; P286-E299 HydrophobicContact CG-CB 4.13Å; P286-M300 HydrophobicContact CB-CB 4.19Å; P286-M300 HydrophobicContact CG-CB 4.29Å; P286-E303 HydrophobicContact CG-CG 3.74Å
287L96.9Very high96.1Very high30 Ų3069.9 Ų69.916%0.15737%0.37CS..G310 helixtrans-64.9-16.6-178.8-57.9-177.1000114.2T266 T269 Y270 L284 N285 Y289 H290T266-L287 HydrophobicContact CG2-CD2 4.14Å; T269-L287 HydrophobicContact CG2-CD2 3.89Å; T269-L287 HydrophobicContact CG2-CG 3.81Å; Y270-L287 HydrophobicContact CD1-CD1 4.47Å; Y270-L287 HydrophobicContact CD2-CD1 4.49Å; Y270-L287 HydrophobicContact CE1-CD1 3.76Å; Y270-L287 HydrophobicContact CE2-CD1 3.78Å; Y270-L287 HydrophobicContact CE2-CD2 4.33Å; Y270-L287 WeakPolarHBondContact OH-CD1 3.35Å; L284-L287 HydrophobicContact CB-CD1 4.08Å; L284-L287 HydrophobicContact CB-CG 4.47Å; L284-L287 HydrophobicContact CD2-CD1 4.2Å; L284-L287 WeakPolarHBondContact O-CB 3.42Å; L284-L287 WeakPolarHBondContact O-CG 3.34Å; L284-L287 PolarHBondContact O-N 2.93Å; N285-L287 PolarHBondContact O-N 3.04Å; N285-L287 VanDerWaalsContact O-N 3.14Å; L287-Y289 PolarHBondContact O-N 3.27Å; L287-H290 PolarHBondContact O-CE1 3.14Å; L287-H290 VanDerWaalsContact O-CE1 3.26Å
288N96.6Very high96.2Very high112 Ų11271.5 Ų71.560%0.59938%0.375SS*.G310 helixtrans-74.4-12.4177.3-64.1-36.6000113.3N285 P286 H290N285-N288 WeakPolarHBondContact O-CB 3.48Å; N285-N288 PolarHBondContact O-N 3.42Å; N285-N288 VanDerWaalsContact O-N 3.11Å; N285-N288 PolarHBondContact O-ND2 2.84Å; P286-N288 PolarHBondContact O-N 3.42Å; P286-N288 VanDerWaalsContact O-N 3.09Å; N288-H290 PolarHBondContact O-CD2 3.48Å; N288-H290 PolarHBondContact O-N 2.93Å
289Y95Very high96.5Very high62 Ų6268 Ų6824%0.24335%0.349CS..  trans-90.496.2179.8-63-78.7000110.3P286 L287 R295 R296 E299P286-Y289 WeakPolarHBondContact O-CD2 3.31Å; P286-Y289 PolarHBondContact O-N 2.95Å; P286-Y289 VanDerWaalsContact O-N 3.14Å; L287-Y289 PolarHBondContact O-N 3.27Å; Y289-R295 HydrophobicContact CD1-CG 4.03Å; Y289-R295 HydrophobicContact CE1-CG 4.4Å; Y289-R295 VanDerWaalsContact CE1-CZ 3.46Å; Y289-R295 HydrophobicContact CG-CG 4.41Å; Y289-R296 VanDerWaalsContact O-CZ 3.22Å; Y289-R296 PolarHBondContact O-NE 2.91Å; Y289-R296 PolarHBondContact O-NH2 3.37Å; Y289-E299 HydrophobicContact CD2-CB 4.15Å; Y289-E299 HydrophobicContact CD2-CG 3.84Å; Y289-E299 HydrophobicContact CE2-CB 3.92Å; Y289-E299 HydrophobicContact CE2-CG 3.39Å; Y289-E299 PolarHBondContact OH-OE2 3.02Å
290H91.6Very high96.6Very high151 Ų15161.5 Ų61.570%0.69932%0.319SS*.  trans-92144.7179.7-55-67.9000112.3L287 N288 D292L287-H290 PolarHBondContact O-CE1 3.14Å; L287-H290 VanDerWaalsContact O-CE1 3.26Å; N288-H290 PolarHBondContact O-CD2 3.48Å; N288-H290 PolarHBondContact O-N 2.93Å; H290-D292 PolarHBondContact O-N 2.79Å; H290-D292 VanDerWaalsContact O-N 3.14Å
291G90.1Very high96.7Very high83 Ų8357.9 Ų57.986%0.85631%0.305SS*.SBendtrans76.2-11.4173.200000116.5
292D93.7Very high96.8Very high73 Ų7356.9 Ų56.939%0.3930%0.295SS..  trans-123.794.3177.1-174.9-13.5000110.3H290 I294 R295 R296H290-D292 PolarHBondContact O-N 2.79Å; H290-D292 VanDerWaalsContact O-N 3.14Å; D292-I294 VanDerWaalsContact C-N 3.32Å; D292-I294 PolarHBondContact O-N 3.35Å; D292-I294 PolarHBondContact OD1-N 3.11Å; D292-R295 HydrophobicContact CB-CB 4.09Å; D292-R295 PolarHBondContact OD1-N 3Å; D292-R295 VanDerWaalsContact OD2-CB 3.29Å; D292-R295 WeakPolarHBondContact OD2-CB 3.3Å; D292-R296 WeakPolarHBondContact O-CB 3.33Å; D292-R296 PolarHBondContact O-N 2.64Å
293N96Very high96.8Very high60 Ų6057.4 Ų57.432%0.32130%0.298SS..Hα-helixtrans-67.3-32.1-178.7-73.7-2.7000112.4R296 A297 A319N293-R296 PolarHBondContact O-N 3.01Å; N293-A297 VanDerWaalsContact O-CB 3.24Å; N293-A297 WeakPolarHBondContact O-CB 3.23Å; N293-A297 PolarHBondContact O-N 3.13Å; N293-A319 HydrophobicContact CB-CB 4.23Å
294I97.2Very high96.8Very high78 Ų7855.5 Ų55.540%0.429%0.286SS..Hα-helixtrans-67.4-48.9179.9-63.2-73.1000109.3D292 R296 A297 E298 A315 A316 A319D292-I294 VanDerWaalsContact C-N 3.32Å; D292-I294 PolarHBondContact O-N 3.35Å; D292-I294 PolarHBondContact OD1-N 3.11Å; I294-R296 VanDerWaalsContact C-N 3.33Å; I294-R296 PolarHBondContact O-N 3.31Å; I294-A297 PolarHBondContact O-N 3.39Å; I294-E298 PolarHBondContact O-N 2.85Å; I294-A315 HydrophobicContact CG2-CB 4.36Å; I294-A316 HydrophobicContact CD1-CB 4.24Å; I294-A319 HydrophobicContact CD1-CB 3.41Å; I294-A319 VanDerWaalsContact CD1-CB 3.41Å; I294-A319 HydrophobicContact CG1-CB 4.17Å
295R97.7Very high96.7Very high134 Ų13455.9 Ų55.951%0.50629%0.289SS..Hα-helixtrans-62.4-42.5177.1-176.1174.7-177.2179.11.8111.7Y289 D292 A297 E298 E299Y289-R295 HydrophobicContact CD1-CG 4.03Å; Y289-R295 HydrophobicContact CE1-CG 4.4Å; Y289-R295 VanDerWaalsContact CE1-CZ 3.46Å; Y289-R295 HydrophobicContact CG-CG 4.41Å; D292-R295 HydrophobicContact CB-CB 4.09Å; D292-R295 PolarHBondContact OD1-N 3Å; D292-R295 VanDerWaalsContact OD2-CB 3.29Å; D292-R295 WeakPolarHBondContact OD2-CB 3.3Å; R295-A297 VanDerWaalsContact C-N 3.34Å; R295-A297 PolarHBondContact O-N 3.39Å; R295-E298 PolarHBondContact O-N 3.28Å; R295-E299 VanDerWaalsContact O-CG 3.3Å; R295-E299 WeakPolarHBondContact O-CG 3.4Å; R295-E299 PolarHBondContact O-N 2.8Å; R295-E299 VanDerWaalsContact O-N 3.08Å
296R98.1Very high96.7Very high22 Ų2255 Ų558%0.08328%0.28CS..Hα-helixtrans-61.2-44176.1-174.4-172.7-63.21568.7111.9D264 P286 Y289 D292 N293 I294 E298 E299 M300D264-R296 WeakPolarHBondContact O-CD 2.86Å; D264-R296 PolarHBondContact O-NH1 3.08Å; P286-R296 HydrophobicContact CB-CG 4.35Å; P286-R296 WeakPolarHBondContact O-CG 3.38Å; Y289-R296 VanDerWaalsContact O-CZ 3.22Å; Y289-R296 PolarHBondContact O-NE 2.91Å; Y289-R296 PolarHBondContact O-NH2 3.37Å; D292-R296 WeakPolarHBondContact O-CB 3.33Å; D292-R296 PolarHBondContact O-N 2.64Å; N293-R296 PolarHBondContact O-N 3.01Å; I294-R296 VanDerWaalsContact C-N 3.33Å; I294-R296 PolarHBondContact O-N 3.31Å; R296-E298 VanDerWaalsContact C-N 3.33Å; R296-E298 PolarHBondContact O-N 3.5Å; R296-E299 PolarHBondContact O-N 2.93Å; R296-M300 WeakPolarHBondContact O-CB 3.31Å; R296-M300 PolarHBondContact O-N 3.47Å
297A98.2Very high96.6Very high0 Ų054.9 Ų54.90%028%0.28CS..Hα-helixtrans-61-42.217700000111.4S265 N293 I294 R295 E299 M300 L301 A315 V318S265-A297 VanDerWaalsContact OG-CA 3.26Å; S265-A297 WeakPolarHBondContact OG-CA 3.32Å; S265-A297 VanDerWaalsContact OG-CB 3.28Å; S265-A297 WeakPolarHBondContact OG-CB 3.29Å; N293-A297 VanDerWaalsContact O-CB 3.24Å; N293-A297 WeakPolarHBondContact O-CB 3.23Å; N293-A297 PolarHBondContact O-N 3.13Å; I294-A297 PolarHBondContact O-N 3.39Å; R295-A297 VanDerWaalsContact C-N 3.34Å; R295-A297 PolarHBondContact O-N 3.39Å; A297-E299 VanDerWaalsContact C-N 3.34Å; A297-E299 PolarHBondContact O-N 2.94Å; A297-M300 WeakPolarHBondContact O-CB 3.21Å; A297-M300 PolarHBondContact O-N 2.78Å; A297-L301 VanDerWaalsContact O-CG 3.31Å; A297-L301 WeakPolarHBondContact O-CG 3.47Å; A297-L301 PolarHBondContact O-N 2.86Å; A297-A315 HydrophobicContact CB-CB 3.9Å; A297-A315 WeakPolarHBondContact CB-O 3.49Å; A297-V318 HydrophobicContact CB-CB 4.08Å; A297-V318 HydrophobicContact CB-CG1 4.23Å
298E98.3Very high96.5Very high60 Ų6059.8 Ų59.828%0.2830%0.302SS..Hα-helixtrans-61.2-42.3176.4-176.154.3-140.400112.2I294 R295 R296 L301 K302 R310 A315I294-E298 PolarHBondContact O-N 2.85Å; R295-E298 PolarHBondContact O-N 3.28Å; R296-E298 VanDerWaalsContact C-N 3.33Å; R296-E298 PolarHBondContact O-N 3.5Å; E298-L301 PolarHBondContact O-N 2.97Å; E298-K302 WeakPolarHBondContact O-CG 3.49Å; E298-K302 PolarHBondContact O-N 3.47Å; E298-R310 VanDerWaalsContact CD-NH2 3.26Å; E298-R310 IonicContact OE1-CZ 2.83Å; E298-R310 IonicContact OE1-NH1 3.53Å; E298-R310 PolarHBondContact OE1-NH1 3.34Å; E298-R310 IonicContact OE1-NH2 2.72Å; E298-R310 PolarHBondContact OE1-NH2 3.29Å; E298-R310 IonicContact OE2-NH2 3.35Å; E298-R310 PolarHBondContact OE2-NH2 2.94Å; E298-A315 HydrophobicContact CB-CB 3.92Å
299E98.4Very high96.4Very high38 Ų3854.5 Ų54.518%0.17827%0.273CS..Hα-helixtrans-68.7-36.5177-62.1-73.9133.700111.6P286 Y289 R295 R296 A297 K302 E303P286-E299 HydrophobicContact CB-CB 4.08Å; P286-E299 HydrophobicContact CG-CB 4.13Å; Y289-E299 HydrophobicContact CD2-CB 4.15Å; Y289-E299 HydrophobicContact CD2-CG 3.84Å; Y289-E299 HydrophobicContact CE2-CB 3.92Å; Y289-E299 HydrophobicContact CE2-CG 3.39Å; Y289-E299 PolarHBondContact OH-OE2 3.02Å; R295-E299 VanDerWaalsContact O-CG 3.3Å; R295-E299 WeakPolarHBondContact O-CG 3.4Å; R295-E299 PolarHBondContact O-N 2.8Å; R295-E299 VanDerWaalsContact O-N 3.08Å; R296-E299 PolarHBondContact O-N 2.93Å; A297-E299 VanDerWaalsContact C-N 3.34Å; A297-E299 PolarHBondContact O-N 2.94Å; E299-K302 WeakPolarHBondContact O-CB 3.1Å; E299-K302 PolarHBondContact O-N 3.16Å; E299-K302 IonicContact OE1-NZ 3.97Å; E299-K302 PolarHBondContact OE1-NZ 3.29Å; E299-E303 PolarHBondContact O-N 2.89Å
300M98.3Very high96.2Very high0 Ų054.8 Ų54.80%027%0.274CS..Hα-helixtrans-62.7-40.3171.7-179.8-77.8-60.700111.6Y268 L272 P286 R296 A297 K302 E303 A304 V318 F329Y268-M300 HydrophobicContact CD2-CE 3.75Å; Y268-M300 HydrophobicContact CD2-SD 4.33Å; Y268-M300 HydrophobicContact CG-CE 4.43Å; Y268-M300 HydrophobicContact CG-SD 4.47Å; L272-M300 HydrophobicContact CD1-CG 3.83Å; L272-M300 WeakPolarHBondContact CD1-O 3.49Å; L272-M300 HydrophobicContact CD1-SD 3.54Å; L272-M300 VanDerWaalsContact CD1-SD 3.54Å; P286-M300 HydrophobicContact CB-CB 4.19Å; P286-M300 HydrophobicContact CG-CB 4.29Å; R296-M300 WeakPolarHBondContact O-CB 3.31Å; R296-M300 PolarHBondContact O-N 3.47Å; A297-M300 WeakPolarHBondContact O-CB 3.21Å; A297-M300 PolarHBondContact O-N 2.78Å; M300-K302 VanDerWaalsContact C-N 3.34Å; M300-K302 PolarHBondContact O-N 2.88Å; M300-E303 WeakPolarHBondContact O-CA 3.27Å; M300-E303 WeakPolarHBondContact O-CB 3.34Å; M300-E303 PolarHBondContact O-N 3.29Å; M300-A304 PolarHBondContact O-N 2.74Å; M300-V318 HydrophobicContact CE-CG1 4.2Å; M300-V318 HydrophobicContact CE-CG2 4.04Å; M300-F329 HydrophobicContact SD-CE1 4.38Å; M300-F329 HydrophobicContact SD-CZ 4.15Å
301L98.3Very high96.1Very high0 Ų048.5 Ų48.50%025%0.249CC..Hα-helixtrans-68-31.5176.6-68174.9000112.8A297 E298 E303 A304 D305 R310 V313 A315 F329A297-L301 VanDerWaalsContact O-CG 3.31Å; A297-L301 WeakPolarHBondContact O-CG 3.47Å; A297-L301 PolarHBondContact O-N 2.86Å; E298-L301 PolarHBondContact O-N 2.97Å; L301-E303 VanDerWaalsContact C-N 3.26Å; L301-E303 PolarHBondContact O-N 3.35Å; L301-A304 CarbonylContact O-C 3.6Å; L301-A304 WeakPolarHBondContact O-CB 3.15Å; L301-A304 PolarHBondContact O-N 3Å; L301-A304 VanDerWaalsContact O-N 3.14Å; L301-D305 PolarHBondContact O-N 3.37Å; L301-R310 HydrophobicContact CB-CG 4.46Å; L301-V313 HydrophobicContact CD2-CG2 3.7Å; L301-A315 HydrophobicContact CD1-CB 4.35Å; L301-F329 HydrophobicContact CD2-CE2 4.22Å; L301-F329 HydrophobicContact CD2-CZ 4.29Å
302K98.1Very high96.3Very high92 Ų9244.8 Ų44.840%0.421%0.209SC..Hα-helixtrans-64.4-31.6169.4-67.6172.4-173.7172.40112.5E298 E299 M300E298-K302 WeakPolarHBondContact O-CG 3.49Å; E298-K302 PolarHBondContact O-N 3.47Å; E299-K302 WeakPolarHBondContact O-CB 3.1Å; E299-K302 PolarHBondContact O-N 3.16Å; E299-K302 IonicContact OE1-NZ 3.97Å; E299-K302 PolarHBondContact OE1-NZ 3.29Å; M300-K302 VanDerWaalsContact C-N 3.34Å; M300-K302 PolarHBondContact O-N 2.88Å
303E98.3Very high96.4Very high14 Ų1441.7 Ų41.77%0.06519%0.193CC..Hα-helixtrans-71.5-36171.5-62-61.7142.200111.2L272 V282 T283 P286 E299 M300 L301 D305 K306L272-E303 HydrophobicContact CD1-CB 4.19Å; V282-E303 VanDerWaalsContact CA-OE2 3.26Å; V282-E303 WeakPolarHBondContact CA-OE2 3.34Å; V282-E303 HydrophobicContact CG1-CB 4.23Å; T283-E303 PolarHBondContact N-OE2 2.74Å; T283-E303 PolarHBondContact OG1-OE1 3.26Å; P286-E303 HydrophobicContact CG-CG 3.74Å; E299-E303 PolarHBondContact O-N 2.89Å; M300-E303 WeakPolarHBondContact O-CA 3.27Å; M300-E303 WeakPolarHBondContact O-CB 3.34Å; M300-E303 PolarHBondContact O-N 3.29Å; L301-E303 VanDerWaalsContact C-N 3.26Å; L301-E303 PolarHBondContact O-N 3.35Å; E303-D305 VanDerWaalsContact C-N 3.35Å; E303-K306 WeakPolarHBondContact O-CB 3.39Å; E303-K306 PolarHBondContact O-N 3.4Å; E303-K306 IonicContact OE1-NZ 3.55Å; E303-K306 PolarHBondContact OE1-NZ 3.2Å; E303-K306 WeakPolarHBondContact OE2-CE 3.43Å; E303-K306 IonicContact OE2-NZ 2.81Å; E303-K306 PolarHBondContact OE2-NZ 3.01Å
304A97.9Very high96.3Very high0 Ų041.7 Ų41.70%020%0.195CC..Hα-helixtrans-66.4-32172.200000113.2L272 M300 L301 K306 L307 E308 C309 F329L272-A304 HydrophobicContact CD1-CB 4.04Å; L272-A304 HydrophobicContact CD2-CB 3.97Å; M300-A304 PolarHBondContact O-N 2.74Å; L301-A304 CarbonylContact O-C 3.6Å; L301-A304 WeakPolarHBondContact O-CB 3.15Å; L301-A304 PolarHBondContact O-N 3Å; L301-A304 VanDerWaalsContact O-N 3.14Å; A304-K306 VanDerWaalsContact C-N 3.26Å; A304-K306 PolarHBondContact O-N 3.5Å; A304-L307 CarbonylContact O-C 3.14Å; A304-L307 WeakPolarHBondContact O-CA 3.49Å; A304-L307 WeakPolarHBondContact O-CB 3.41Å; A304-L307 PolarHBondContact O-N 3.36Å; A304-E308 PolarHBondContact O-N 3.03Å; A304-C309 PolarHBondContact O-N 3.29Å; A304-F329 HydrophobicContact CB-CE2 4.1Å; A304-F329 HydrophobicContact CB-CZ 4.1Å
305D96.7Very high96.3Very high74 Ų7438.4 Ų38.440%0.39618%0.179SC..Hα-helixtrans-59.9-35.2173.9-77.9-42.3000112.2L301 E303 L307 E308 R310L301-D305 PolarHBondContact O-N 3.37Å; E303-D305 VanDerWaalsContact C-N 3.35Å; D305-L307 PolarHBondContact O-N 2.99Å; D305-L307 VanDerWaalsContact O-N 3.15Å; D305-E308 PolarHBondContact O-N 3.19Å; D305-R310 WeakPolarHBondContact OD1-CB 3.38Å; D305-R310 WeakPolarHBondContact OD1-CD 3.11Å; D305-R310 VanDerWaalsContact OD2-CD 3.22Å; D305-R310 WeakPolarHBondContact OD2-CD 3.41Å; D305-R310 IonicContact OD2-CZ 2.71Å; D305-R310 IonicContact OD2-NE 3.75Å; D305-R310 IonicContact OD2-NH1 2.67Å; D305-R310 PolarHBondContact OD2-NH1 3.26Å
306K97.8Very high96.1Very high70 Ų7033.8 Ų33.830%0.30417%0.17SC..THydrogen-bonded Turntrans-62.2-23176-60.5173.5-178.2174.30112.4R280 N281 V282 E303 A304R280-K306 WeakPolarHBondContact CD-O 3.42Å; R280-K306 PolarHBondContact NH1-O 3.46Å; N281-K306 PolarHBondContact O-NZ 2.84Å; V282-K306 HydrophobicContact CG2-CB 4.14Å; V282-K306 HydrophobicContact CG2-CD 4.21Å; E303-K306 WeakPolarHBondContact O-CB 3.39Å; E303-K306 PolarHBondContact O-N 3.4Å; E303-K306 IonicContact OE1-NZ 3.55Å; E303-K306 PolarHBondContact OE1-NZ 3.2Å; E303-K306 WeakPolarHBondContact OE2-CE 3.43Å; E303-K306 IonicContact OE2-NZ 2.81Å; E303-K306 PolarHBondContact OE2-NZ 3.01Å; A304-K306 VanDerWaalsContact C-N 3.26Å; A304-K306 PolarHBondContact O-N 3.5Å
307L96.4Very high96Very high0 Ų032.9 Ų32.90%017%0.167CC..THydrogen-bonded Turntrans-99.83176.6-61.5-174.8000113.2L272 I275 A276 R280 V282 A304 D305 C309 W337L272-L307 HydrophobicContact CD2-CD1 3.8Å; I275-L307 HydrophobicContact CG1-CD1 4.25Å; A276-L307 HydrophobicContact CB-CD1 4.1Å; A276-L307 HydrophobicContact CB-CD2 3.77Å; A276-L307 HydrophobicContact CB-CG 4.41Å; R280-L307 HydrophobicContact CB-CD2 3.79Å; R280-L307 HydrophobicContact CG-CD2 3.76Å; V282-L307 HydrophobicContact CG2-CD1 4.45Å; V282-L307 HydrophobicContact CG2-CD2 4.08Å; V282-L307 HydrophobicContact CG2-CG 4.05Å; A304-L307 CarbonylContact O-C 3.14Å; A304-L307 WeakPolarHBondContact O-CA 3.49Å; A304-L307 WeakPolarHBondContact O-CB 3.41Å; A304-L307 PolarHBondContact O-N 3.36Å; D305-L307 PolarHBondContact O-N 2.99Å; D305-L307 VanDerWaalsContact O-N 3.15Å; L307-C309 HydrophobicContact CB-CB 4.25Å; L307-C309 PolarHBondContact O-N 2.85Å; L307-C309 PolarHBondContact O-SG 2.98Å; L307-W337 HydrophobicContact CD2-CZ2 4.36Å; L307-W337 PolarHBondContact O-NE1 3.33Å; L307-W337 VanDerWaalsContact O-NE1 3.16Å
308E93.9Very high95.9Very high133 Ų13332.9 Ų32.962%0.62117%0.167SC*.THydrogen-bonded Turntrans58.233.5-174.9-61.4157.7-125.300112.5R280 A304 D305R280-E308 IonicContact CZ-OE1 2.87Å; R280-E308 IonicContact NH1-OE1 3.23Å; R280-E308 PolarHBondContact NH1-OE1 3.22Å; R280-E308 IonicContact NH2-OE1 3.24Å; R280-E308 PolarHBondContact NH2-OE1 3.01Å; A304-E308 PolarHBondContact O-N 3.03Å; D305-E308 PolarHBondContact O-N 3.19Å
309C93.9Very high95.8Very high0 Ų030.6 Ų30.60%016%0.158CC..  trans-120.113.7-170.5-71.90000115.2A304 L307 A311 F329 L333 W337A304-C309 PolarHBondContact O-N 3.29Å; L307-C309 HydrophobicContact CB-CB 4.25Å; L307-C309 PolarHBondContact O-N 2.85Å; L307-C309 PolarHBondContact O-SG 2.98Å; C309-A311 PolarHBondContact O-N 3.06Å; C309-A311 VanDerWaalsContact O-N 3.08Å; C309-F329 VanDerWaalsContact O-CE2 3.31Å; C309-F329 WeakPolarHBondContact O-CE2 3.5Å; C309-L333 HydrophobicContact CB-CD2 3.39Å; C309-L333 HydrophobicContact CB-CG 4.4Å; C309-W337 VanDerWaalsContact SG-CD1 3.58Å
310R90.7Very high95.6Very high68 Ų6833.4 Ų33.426%0.25717%0.174SC..  trans-65.4-9.3-175.9178165.7-172.4135.56.1115.7E298 L301 D305E298-R310 VanDerWaalsContact CD-NH2 3.26Å; E298-R310 IonicContact OE1-CZ 2.83Å; E298-R310 IonicContact OE1-NH1 3.53Å; E298-R310 PolarHBondContact OE1-NH1 3.34Å; E298-R310 IonicContact OE1-NH2 2.72Å; E298-R310 PolarHBondContact OE1-NH2 3.29Å; E298-R310 IonicContact OE2-NH2 3.35Å; E298-R310 PolarHBondContact OE2-NH2 2.94Å; L301-R310 HydrophobicContact CB-CG 4.46Å; D305-R310 WeakPolarHBondContact OD1-CB 3.38Å; D305-R310 WeakPolarHBondContact OD1-CD 3.11Å; D305-R310 VanDerWaalsContact OD2-CD 3.22Å; D305-R310 WeakPolarHBondContact OD2-CD 3.41Å; D305-R310 IonicContact OD2-CZ 2.71Å; D305-R310 IonicContact OD2-NE 3.75Å; D305-R310 IonicContact OD2-NH1 2.67Å; D305-R310 PolarHBondContact OD2-NH1 3.26Å
311A90.8Very high95.3Very high20 Ų2033.8 Ų33.817%0.16518%0.178CC..THydrogen-bonded Turntrans-52.5155.6-174.700000114.1C309 V313C309-A311 PolarHBondContact O-N 3.06Å; C309-A311 VanDerWaalsContact O-N 3.08Å; A311-V313 VanDerWaalsContact C-N 3.34Å; A311-V313 PolarHBondContact O-N 3.31Å
312F93.7Very high95.1Very high5 Ų534.1 Ų34.12%0.02218%0.18CC..THydrogen-bonded Turntrans77.1-32175.9-57-71.1000118.8A93 W97 I200 L204 A328 N332A93-F312 WeakPolarHBondContact CB-O 3.2Å; W97-F312 HydrophobicContact CB-CE1 3.96Å; W97-F312 HydrophobicContact CB-CZ 4.35Å; W97-F312 AromaticContact CD1-CE1 3.55Å; W97-F312 AromaticContact CD1-CE2 3.58Å; W97-F312 AromaticContact CD1-CZ 3.04Å; W97-F312 HydrophobicContact CD2-CE1 4.33Å; W97-F312 HydrophobicContact CD2-CZ 4.13Å; W97-F312 AromaticContact CE2-CZ 3.91Å; W97-F312 AromaticContact CG-CE1 3.66Å; W97-F312 HydrophobicContact CG-CE1 3.66Å; W97-F312 HydrophobicContact CG-CE2 4.47Å; W97-F312 AromaticContact CG-CZ 3.6Å; W97-F312 HydrophobicContact CG-CZ 3.6Å; W97-F312 AromaticContact NE1-CE2 3.78Å; W97-F312 AromaticContact NE1-CZ 3.24Å; I200-F312 HydrophobicContact CG2-CE1 3.77Å; I200-F312 HydrophobicContact CG2-CZ 3.86Å; L204-F312 HydrophobicContact CD1-CE1 4.41Å; L204-F312 HydrophobicContact CD1-CE2 3.91Å; L204-F312 HydrophobicContact CD1-CZ 3.64Å; L204-F312 HydrophobicContact CD2-CE2 4.06Å; L204-F312 HydrophobicContact CD2-CZ 4.1Å; L204-F312 HydrophobicContact CG-CZ 4.31Å; F312-A328 HydrophobicContact CB-CB 3.91Å; F312-A328 HydrophobicContact CD1-CB 3.68Å; F312-A328 HydrophobicContact CD2-CB 3.69Å; F312-A328 WeakPolarHBondContact CD2-O 3.34Å; F312-A328 HydrophobicContact CE1-CB 4.04Å; F312-A328 HydrophobicContact CE2-CB 4.04Å; F312-A328 HydrophobicContact CG-CB 3.47Å; F312-A328 VanDerWaalsContact CG-CB 3.47Å; F312-A328 HydrophobicContact CZ-CB 4.19Å; F312-N332 HydrophobicContact CD2-CB 4.17Å; F312-N332 HydrophobicContact CE2-CB 3.97Å
313V95.4Very high94.8Very high8 Ų833.7 Ų33.75%0.04818%0.177CC..  trans-122.1139.1-172.2-72.50000112.9L301 A311 D317 V318 L325 F329L301-V313 HydrophobicContact CD2-CG2 3.7Å; A311-V313 VanDerWaalsContact C-N 3.34Å; A311-V313 PolarHBondContact O-N 3.31Å; V313-D317 HydrophobicContact CB-CB 4.2Å; V313-D317 HydrophobicContact CG1-CB 4.19Å; V313-V318 HydrophobicContact CB-CG2 3.94Å; V313-V318 HydrophobicContact CG1-CG2 4.34Å; V313-V318 HydrophobicContact CG2-CG2 4.03Å; V313-L325 VanDerWaalsContact CG1-C 3.45Å; V313-L325 HydrophobicContact CG1-CB 3.71Å; V313-L325 WeakPolarHBondContact CG1-O 3.47Å; V313-F329 HydrophobicContact CG1-CB 3.93Å; V313-F329 HydrophobicContact CG2-CB 3.83Å; V313-F329 HydrophobicContact CG2-CD1 4.18Å; V313-F329 HydrophobicContact CG2-CD2 3.54Å; V313-F329 HydrophobicContact CG2-CE2 4.09Å; V313-F329 HydrophobicContact CG2-CG 3.58Å
314T94.3Very high94.6Very high60 Ų6035.9 Ų35.937%0.36819%0.186SC..  trans-91.9167.8158.870.10000110.6A316 D317 V318T314-A316 PolarHBondContact O-N 3.04Å; T314-A316 PolarHBondContact OG1-N 3.03Å; T314-D317 VanDerWaalsContact CB-OD2 3.31Å; T314-D317 WeakPolarHBondContact CB-OD2 3.47Å; T314-D317 WeakPolarHBondContact CG2-OD2 3.3Å; T314-D317 PolarHBondContact N-OD2 3.06Å; T314-D317 WeakPolarHBondContact O-CB 3.23Å; T314-D317 PolarHBondContact O-N 2.89Å; T314-D317 VanDerWaalsContact OG1-CG 3.27Å; T314-D317 PolarHBondContact OG1-N 3.32Å; T314-D317 PolarHBondContact OG1-OD2 2.47Å; T314-V318 PolarHBondContact O-N 2.9Å
315A96.7Very high94.5Very high8 Ų835.9 Ų35.97%0.06619%0.186CC..Hα-helixtrans-56.4-36173.900000112.5I294 A297 E298 L301 A319I294-A315 HydrophobicContact CG2-CB 4.36Å; A297-A315 HydrophobicContact CB-CB 3.9Å; A297-A315 WeakPolarHBondContact CB-O 3.49Å; E298-A315 HydrophobicContact CB-CB 3.92Å; L301-A315 HydrophobicContact CD1-CB 4.35Å; A315-A319 WeakPolarHBondContact O-CB 3.34Å; A315-A319 PolarHBondContact O-N 3.5Å
316A95Very high94.5Very high38 Ų3832.4 Ų32.431%0.31417%0.167SC..Hα-helixtrans-67.3-38.6175.800000112.3I294 T314 V318 A319 N320I294-A316 HydrophobicContact CD1-CB 4.24Å; T314-A316 PolarHBondContact O-N 3.04Å; T314-A316 PolarHBondContact OG1-N 3.03Å; A316-V318 VanDerWaalsContact C-N 3.35Å; A316-V318 PolarHBondContact O-N 3.45Å; A316-A319 PolarHBondContact O-N 3.27Å; A316-N320 WeakPolarHBondContact O-CB 3.22Å; A316-N320 PolarHBondContact O-N 2.87Å; A316-N320 PolarHBondContact O-ND2 2.92Å; A316-N320 VanDerWaalsContact O-ND2 3.14Å
317D94.2Very high94.5Very high3 Ų329 Ų292%0.01615%0.153CC..Hα-helixtrans-64.3-40.6178.8-64.5-52.5000112.6E89 V313 T314 G321 V322 L325 N326E89-D317 WeakPolarHBondContact CB-OD1 3.24Å; E89-D317 WeakPolarHBondContact CG-OD1 3.33Å; V313-D317 HydrophobicContact CB-CB 4.2Å; V313-D317 HydrophobicContact CG1-CB 4.19Å; T314-D317 VanDerWaalsContact CB-OD2 3.31Å; T314-D317 WeakPolarHBondContact CB-OD2 3.47Å; T314-D317 WeakPolarHBondContact CG2-OD2 3.3Å; T314-D317 PolarHBondContact N-OD2 3.06Å; T314-D317 WeakPolarHBondContact O-CB 3.23Å; T314-D317 PolarHBondContact O-N 2.89Å; T314-D317 VanDerWaalsContact OG1-CG 3.27Å; T314-D317 PolarHBondContact OG1-N 3.32Å; T314-D317 PolarHBondContact OG1-OD2 2.47Å; D317-G321 PolarHBondContact O-N 3.11Å; D317-G321 VanDerWaalsContact O-N 3.15Å; D317-V322 HydrophobicContact CB-CB 4.26Å; D317-V322 HydrophobicContact CB-CG2 4.27Å; D317-V322 PolarHBondContact O-N 3.13Å; D317-L325 HydrophobicContact CB-CD1 4.18Å; D317-N326 PolarHBondContact O-ND2 3.11Å
318V97Very high94.5Very high0 Ų029 Ų290%015%0.153CC..Hα-helixtrans-64.5-55.4174.6179.50000109.4V262 Q263 S265 Y268 A297 M300 V313 T314 A316 N320 G321V262-V318 WeakPolarHBondContact O-CG1 3.32Å; Q263-V318 WeakPolarHBondContact CA-O 3.49Å; S265-V318 WeakPolarHBondContact OG-CG1 3.22Å; Y268-V318 HydrophobicContact CD2-CG1 3.99Å; Y268-V318 HydrophobicContact CE2-CG1 3.96Å; Y268-V318 HydrophobicContact CE2-CG2 4.36Å; A297-V318 HydrophobicContact CB-CB 4.08Å; A297-V318 HydrophobicContact CB-CG1 4.23Å; M300-V318 HydrophobicContact CE-CG1 4.2Å; M300-V318 HydrophobicContact CE-CG2 4.04Å; V313-V318 HydrophobicContact CB-CG2 3.94Å; V313-V318 HydrophobicContact CG1-CG2 4.34Å; V313-V318 HydrophobicContact CG2-CG2 4.03Å; T314-V318 PolarHBondContact O-N 2.9Å; A316-V318 VanDerWaalsContact C-N 3.35Å; A316-V318 PolarHBondContact O-N 3.45Å; V318-N320 VanDerWaalsContact C-N 3.26Å; V318-N320 PolarHBondContact O-N 2.89Å; V318-G321 PolarHBondContact O-N 3.41Å
319A95.9Very high94.7Very high12 Ų1222.7 Ų22.710%0.09912%0.123CC..Hα-helixtrans-61.7-31.9-17700000113.7Q263 N293 I294 A315 A316 G321Q263-A319 WeakPolarHBondContact CB-O 3.23Å; Q263-A319 WeakPolarHBondContact CG-O 3.47Å; Q263-A319 WeakPolarHBondContact O-CA 3.4Å; N293-A319 HydrophobicContact CB-CB 4.23Å; I294-A319 HydrophobicContact CD1-CB 3.41Å; I294-A319 VanDerWaalsContact CD1-CB 3.41Å; I294-A319 HydrophobicContact CG1-CB 4.17Å; A315-A319 WeakPolarHBondContact O-CB 3.34Å; A315-A319 PolarHBondContact O-N 3.5Å; A316-A319 PolarHBondContact O-N 3.27Å; A319-G321 VanDerWaalsContact C-N 3.33Å
320N93.5Very high94.9Very high96 Ų9622.7 Ų22.751%0.51312%0.123SC..THydrogen-bonded Turntrans-83.1-8.3175.8-69.2-29.9000113.1Q263 A316 V318 V322Q263-N320 PolarHBondContact NE2-O 3.04Å; A316-N320 WeakPolarHBondContact O-CB 3.22Å; A316-N320 PolarHBondContact O-N 2.87Å; A316-N320 PolarHBondContact O-ND2 2.92Å; A316-N320 VanDerWaalsContact O-ND2 3.14Å; V318-N320 VanDerWaalsContact C-N 3.26Å; V318-N320 PolarHBondContact O-N 2.89Å; N320-V322 HydrophobicContact CB-CG2 4.19Å
321G93.3Very high95.2Very high8 Ų819.5 Ų19.58%0.08211%0.111CC..THydrogen-bonded Turntrans65.542.7-179.200000112.5T259 D317 V318 A319 Y323T259-G321 WeakPolarHBondContact O-CA 3.41Å; D317-G321 PolarHBondContact O-N 3.11Å; D317-G321 VanDerWaalsContact O-N 3.15Å; V318-G321 PolarHBondContact O-N 3.41Å; A319-G321 VanDerWaalsContact C-N 3.33Å; G321-Y323 PolarHBondContact O-N 3.41Å
322V92.8Very high95.5Very high7 Ų719.6 Ų19.64%0.04211%0.109CC..  trans-68.195.9178179.30000109.5D317 N320 K324 L325 N326D317-V322 HydrophobicContact CB-CB 4.26Å; D317-V322 HydrophobicContact CB-CG2 4.27Å; D317-V322 PolarHBondContact O-N 3.13Å; N320-V322 HydrophobicContact CB-CG2 4.19Å; V322-K324 PolarHBondContact O-N 2.83Å; V322-L325 HydrophobicContact CB-CB 4.5Å; V322-L325 HydrophobicContact CG1-CB 4.09Å; V322-L325 HydrophobicContact CG1-CD1 3.87Å; V322-L325 HydrophobicContact CG1-CG 3.8Å; V322-L325 PolarHBondContact O-N 3.02Å; V322-N326 PolarHBondContact N-ND2 2.96Å; V322-N326 WeakPolarHBondContact O-CB 3.23Å; V322-N326 PolarHBondContact O-N 3.14Å; V322-N326 PolarHBondContact O-ND2 3.45Å
323Y93.6Very high95.7Very high83 Ų8319.3 Ų19.333%0.32511%0.108SC..Hα-helixtrans-42.1-59.5-172.6169.3-111.6000114.9E235 F258 T259 G321 L325 N326 L327E235-Y323 PolarHBondContact OE1-OH 2.85Å; E235-Y323 PolarHBondContact OE2-OH 3.35Å; F258-Y323 HydrophobicContact CB-CD2 4.05Å; F258-Y323 HydrophobicContact CB-CE2 4.41Å; F258-Y323 HydrophobicContact CD2-CE2 4.44Å; T259-Y323 HydrophobicContact CG2-CD2 4.22Å; T259-Y323 HydrophobicContact CG2-CG 4.36Å; G321-Y323 PolarHBondContact O-N 3.41Å; Y323-L325 VanDerWaalsContact C-N 3.34Å; Y323-L325 PolarHBondContact O-N 2.84Å; Y323-N326 PolarHBondContact O-N 3.37Å; Y323-L327 HydrophobicContact CE1-CD2 4.45Å; Y323-L327 HydrophobicContact CE2-CD2 4.2Å; Y323-L327 WeakPolarHBondContact O-CB 3.47Å; Y323-L327 PolarHBondContact O-N 3.34Å; Y323-L327 WeakPolarHBondContact OH-CD2 3.47Å
324K92.8Very high95.8Very high61 Ų6119 Ų1927%0.26511%0.105SC..Hα-helixtrans-61.2-42.7-173.5-67.4-176.2-166.2159.30112.4E90 W197 V322 A328E90-K324 VanDerWaalsContact CD-NZ 3.33Å; E90-K324 WeakPolarHBondContact OE1-CD 3.48Å; E90-K324 WeakPolarHBondContact OE1-CE 3.31Å; E90-K324 IonicContact OE1-NZ 3.4Å; E90-K324 PolarHBondContact OE1-NZ 2.87Å; E90-K324 IonicContact OE2-NZ 3.3Å; E90-K324 PolarHBondContact OE2-NZ 3.1Å; E90-K324 VanDerWaalsContact OE2-NZ 3.12Å; W197-K324 HydrophobicContact CD2-CD 4.16Å; W197-K324 HydrophobicContact CG-CD 4.15Å; W197-K324 HydrophobicContact CH2-CB 4.27Å; W197-K324 WeakPolarHBondContact CH2-O 3.33Å; W197-K324 HydrophobicContact CZ2-CB 3.98Å; W197-K324 HydrophobicContact CZ2-CD 4.46Å; W197-K324 HydrophobicContact CZ2-CG 4.11Å; V322-K324 PolarHBondContact O-N 2.83Å; K324-A328 WeakPolarHBondContact O-CB 3.48Å; K324-A328 PolarHBondContact O-N 3.23Å
325L95.5Very high95.9Very high0 Ų018.2 Ų18.20%010%0.099CC..Hα-helixtrans-72.4-40.9-177.3-60-175.5000111E89 E90 A93 F94 V313 D317 V322 Y323 A328 F329E89-L325 HydrophobicContact CB-CD1 3.78Å; E90-L325 HydrophobicContact CG-CD2 4.49Å; A93-L325 HydrophobicContact CB-CD1 4.3Å; A93-L325 HydrophobicContact CB-CD2 3.57Å; F94-L325 HydrophobicContact CE1-CD2 4.11Å; V313-L325 VanDerWaalsContact CG1-C 3.45Å; V313-L325 HydrophobicContact CG1-CB 3.71Å; V313-L325 WeakPolarHBondContact CG1-O 3.47Å; D317-L325 HydrophobicContact CB-CD1 4.18Å; V322-L325 HydrophobicContact CB-CB 4.5Å; V322-L325 HydrophobicContact CG1-CB 4.09Å; V322-L325 HydrophobicContact CG1-CD1 3.87Å; V322-L325 HydrophobicContact CG1-CG 3.8Å; V322-L325 PolarHBondContact O-N 3.02Å; Y323-L325 VanDerWaalsContact C-N 3.34Å; Y323-L325 PolarHBondContact O-N 2.84Å; L325-A328 PolarHBondContact O-N 3.32Å; L325-F329 WeakPolarHBondContact O-CB 3.29Å; L325-F329 PolarHBondContact O-N 3.22Å
326N97.5Very high95.8Very high0 Ų022.2 Ų22.20%012%0.117CC..Hα-helixtrans-61-44.4173-82.7-73.2000112F258 V262 Y268 D317 V322 Y323 A328 F329 V330F258-N326 HydrophobicContact CB-CB 4.12Å; F258-N326 WeakPolarHBondContact O-CB 3.39Å; V262-N326 HydrophobicContact CG2-CB 4.4Å; Y268-N326 VanDerWaalsContact CE2-OD1 3.25Å; Y268-N326 WeakPolarHBondContact CE2-OD1 3.49Å; Y268-N326 VanDerWaalsContact OH-CB 3.3Å; Y268-N326 WeakPolarHBondContact OH-CB 3.26Å; Y268-N326 PolarHBondContact OH-OD1 3.17Å; D317-N326 PolarHBondContact O-ND2 3.11Å; V322-N326 PolarHBondContact N-ND2 2.96Å; V322-N326 WeakPolarHBondContact O-CB 3.23Å; V322-N326 PolarHBondContact O-N 3.14Å; V322-N326 PolarHBondContact O-ND2 3.45Å; Y323-N326 PolarHBondContact O-N 3.37Å; N326-A328 PolarHBondContact O-N 3.35Å; N326-F329 PolarHBondContact O-N 3.05Å; N326-V330 WeakPolarHBondContact O-CG2 3.24Å; N326-V330 PolarHBondContact O-N 3.08Å
327L97.2Very high95.8Very high0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-61.4-44.2175178.557.4000111.8F205 E235 L238 F258 Y323 V330 A331F205-L327 HydrophobicContact CE1-CD1 4.45Å; F205-L327 HydrophobicContact CE1-CG 4.41Å; F205-L327 HydrophobicContact CZ-CD1 3.93Å; F205-L327 HydrophobicContact CZ-CD2 3.86Å; F205-L327 HydrophobicContact CZ-CG 3.85Å; E235-L327 HydrophobicContact CB-CD1 4.34Å; E235-L327 HydrophobicContact CG-CD1 3.9Å; E235-L327 HydrophobicContact CG-CD2 4.35Å; L238-L327 HydrophobicContact CD1-CD1 3.9Å; F258-L327 HydrophobicContact CD2-CB 4.41Å; F258-L327 HydrophobicContact CD2-CD1 3.82Å; F258-L327 HydrophobicContact CE2-CD1 3.62Å; F258-L327 HydrophobicContact CG-CB 4.39Å; F258-L327 HydrophobicContact CG-CD1 4.41Å; F258-L327 HydrophobicContact CZ-CD1 4.05Å; Y323-L327 HydrophobicContact CE1-CD2 4.45Å; Y323-L327 HydrophobicContact CE2-CD2 4.2Å; Y323-L327 WeakPolarHBondContact O-CB 3.47Å; Y323-L327 PolarHBondContact O-N 3.34Å; Y323-L327 WeakPolarHBondContact OH-CD2 3.47Å; L327-V330 PolarHBondContact O-N 3.4Å; L327-A331 WeakPolarHBondContact O-CB 3.28Å; L327-A331 PolarHBondContact O-N 3.18Å
328A96.8Very high95.9Very high0 Ų024.5 Ų24.50%012%0.122CC..Hα-helixtrans-64-41.8177.800000112.3W197 L204 F312 K324 L325 N326 A331 N332W197-A328 HydrophobicContact CH2-CB 4.04Å; W197-A328 HydrophobicContact CZ3-CB 3.82Å; L204-A328 HydrophobicContact CD1-CB 3.94Å; F312-A328 HydrophobicContact CB-CB 3.91Å; F312-A328 HydrophobicContact CD1-CB 3.68Å; F312-A328 HydrophobicContact CD2-CB 3.69Å; F312-A328 WeakPolarHBondContact CD2-O 3.34Å; F312-A328 HydrophobicContact CE1-CB 4.04Å; F312-A328 HydrophobicContact CE2-CB 4.04Å; F312-A328 HydrophobicContact CG-CB 3.47Å; F312-A328 VanDerWaalsContact CG-CB 3.47Å; F312-A328 HydrophobicContact CZ-CB 4.19Å; K324-A328 WeakPolarHBondContact O-CB 3.48Å; K324-A328 PolarHBondContact O-N 3.23Å; L325-A328 PolarHBondContact O-N 3.32Å; N326-A328 PolarHBondContact O-N 3.35Å; A328-A331 PolarHBondContact O-N 3.31Å; A328-N332 WeakPolarHBondContact O-CB 3.31Å; A328-N332 PolarHBondContact O-N 3.1Å
329F98Very high95.8Very high0 Ų026.7 Ų26.70%015%0.145CC..Hα-helixtrans-58.8-47.7174.4173.4-112.4000111.7Y268 M300 L301 A304 C309 V313 L325 N326 N332 L333Y268-F329 HydrophobicContact CD1-CE1 4.41Å; Y268-F329 HydrophobicContact CD2-CD1 4.26Å; Y268-F329 AromaticContact CD2-CE1 3.86Å; Y268-F329 HydrophobicContact CD2-CE1 3.86Å; Y268-F329 HydrophobicContact CE1-CD1 4.5Å; Y268-F329 AromaticContact CE2-CD1 3.94Å; Y268-F329 HydrophobicContact CE2-CD1 3.94Å; Y268-F329 HydrophobicContact CE2-CE1 4.03Å; Y268-F329 HydrophobicContact CG-CE1 4.05Å; M300-F329 HydrophobicContact SD-CE1 4.38Å; M300-F329 HydrophobicContact SD-CZ 4.15Å; L301-F329 HydrophobicContact CD2-CE2 4.22Å; L301-F329 HydrophobicContact CD2-CZ 4.29Å; A304-F329 HydrophobicContact CB-CE2 4.1Å; A304-F329 HydrophobicContact CB-CZ 4.1Å; C309-F329 VanDerWaalsContact O-CE2 3.31Å; C309-F329 WeakPolarHBondContact O-CE2 3.5Å; V313-F329 HydrophobicContact CG1-CB 3.93Å; V313-F329 HydrophobicContact CG2-CB 3.83Å; V313-F329 HydrophobicContact CG2-CD1 4.18Å; V313-F329 HydrophobicContact CG2-CD2 3.54Å; V313-F329 HydrophobicContact CG2-CE2 4.09Å; V313-F329 HydrophobicContact CG2-CG 3.58Å; L325-F329 WeakPolarHBondContact O-CB 3.29Å; L325-F329 PolarHBondContact O-N 3.22Å; N326-F329 PolarHBondContact O-N 3.05Å; F329-N332 WeakPolarHBondContact O-CB 3.49Å; F329-N332 PolarHBondContact O-N 3.36Å; F329-L333 HydrophobicContact CD1-CD1 4.05Å; F329-L333 HydrophobicContact CE1-CD1 3.55Å; F329-L333 HydrophobicContact CE1-CG 4.44Å; F329-L333 HydrophobicContact CE2-CD1 4.21Å; F329-L333 HydrophobicContact CE2-CD2 4.48Å; F329-L333 HydrophobicContact CE2-CG 4.29Å; F329-L333 HydrophobicContact CZ-CD1 3.65Å; F329-L333 HydrophobicContact CZ-CD2 4.44Å; F329-L333 HydrophobicContact CZ-CG 4.21Å; F329-L333 WeakPolarHBondContact O-CG 3.19Å; F329-L333 PolarHBondContact O-N 3.48Å
330V98.3Very high95.8Very high0 Ų027.2 Ų27.20%015%0.146CC..Hα-helixtrans-66.3-39.8178.8174.90000111.6L238 W241 V242 F258 Y268 N326 L327 N332 L333 F334L238-V330 HydrophobicContact CB-CG1 4.21Å; L238-V330 HydrophobicContact CD1-CG1 4.43Å; L238-V330 HydrophobicContact CD2-CG1 4.28Å; W241-V330 HydrophobicContact CE3-CG1 4.11Å; W241-V330 HydrophobicContact CZ3-CG1 3.77Å; V242-V330 HydrophobicContact CG2-CG1 3.88Å; F258-V330 HydrophobicContact CD1-CB 4.46Å; F258-V330 HydrophobicContact CD1-CG2 4.02Å; F258-V330 HydrophobicContact CE1-CB 3.89Å; F258-V330 HydrophobicContact CE1-CG1 3.77Å; F258-V330 HydrophobicContact CE1-CG2 3.75Å; F258-V330 HydrophobicContact CZ-CG1 4.26Å; Y268-V330 HydrophobicContact CD1-CG2 4.38Å; Y268-V330 HydrophobicContact CE1-CG2 3.43Å; Y268-V330 VanDerWaalsContact CE1-CG2 3.43Å; N326-V330 WeakPolarHBondContact O-CG2 3.24Å; N326-V330 PolarHBondContact O-N 3.08Å; L327-V330 PolarHBondContact O-N 3.4Å; V330-N332 VanDerWaalsContact C-N 3.33Å; V330-N332 PolarHBondContact O-N 3.21Å; V330-L333 PolarHBondContact O-N 2.91Å; V330-F334 PolarHBondContact O-N 2.95Å
331A97.9Very high95.7Very high0 Ų029.4 Ų29.40%015%0.151CC..Hα-helixtrans-62.9-40.5174.600000112.1L204 F205 I208 L238 L327 A328 F334 N335L204-A331 HydrophobicContact CB-CB 4.15Å; L204-A331 HydrophobicContact CD1-CB 4.41Å; F205-A331 HydrophobicContact CD1-CB 4.15Å; F205-A331 HydrophobicContact CE1-CB 3.76Å; I208-A331 HydrophobicContact CD1-CB 4.15Å; L238-A331 HydrophobicContact CD1-CB 3.78Å; L327-A331 WeakPolarHBondContact O-CB 3.28Å; L327-A331 PolarHBondContact O-N 3.18Å; A328-A331 PolarHBondContact O-N 3.31Å; A331-F334 PolarHBondContact O-N 2.9Å; A331-N335 VanDerWaalsContact O-CG 3.29Å; A331-N335 PolarHBondContact O-N 3.14Å
332N96.8Very high95.5Very high22 Ų2233.2 Ų33.212%0.11817%0.174CC..Hα-helixtrans-62.2-44.5174.6-169.661.5000111.9F312 A328 F329 V330 F334 N335 M336F312-N332 HydrophobicContact CD2-CB 4.17Å; F312-N332 HydrophobicContact CE2-CB 3.97Å; A328-N332 WeakPolarHBondContact O-CB 3.31Å; A328-N332 PolarHBondContact O-N 3.1Å; F329-N332 WeakPolarHBondContact O-CB 3.49Å; F329-N332 PolarHBondContact O-N 3.36Å; V330-N332 VanDerWaalsContact C-N 3.33Å; V330-N332 PolarHBondContact O-N 3.21Å; N332-F334 VanDerWaalsContact C-N 3.32Å; N332-F334 PolarHBondContact O-N 3.44Å; N332-N335 PolarHBondContact O-N 3.26Å; N332-M336 WeakPolarHBondContact O-CB 3.33Å; N332-M336 VanDerWaalsContact O-CG 3.31Å; N332-M336 WeakPolarHBondContact O-CG 3.37Å; N332-M336 PolarHBondContact O-N 2.89Å; N332-M336 VanDerWaalsContact O-N 3.13Å
333L97.6Very high95.3Very high0 Ų034 Ų340%018%0.18CC..Hα-helixtrans-59.1-43.9174.1-71.7173.4000111.7W241 L271 L272 I275 C309 F329 V330 M336 W337W241-L333 HydrophobicContact CH2-CB 4.01Å; L271-L333 HydrophobicContact CD2-CD1 4.21Å; L272-L333 HydrophobicContact CD2-CD1 4.26Å; L272-L333 HydrophobicContact CD2-CD2 3.64Å; I275-L333 HydrophobicContact CD1-CB 4.21Å; I275-L333 HydrophobicContact CD1-CD2 4.24Å; C309-L333 HydrophobicContact CB-CD2 3.39Å; C309-L333 HydrophobicContact CB-CG 4.4Å; F329-L333 HydrophobicContact CD1-CD1 4.05Å; F329-L333 HydrophobicContact CE1-CD1 3.55Å; F329-L333 HydrophobicContact CE1-CG 4.44Å; F329-L333 HydrophobicContact CE2-CD1 4.21Å; F329-L333 HydrophobicContact CE2-CD2 4.48Å; F329-L333 HydrophobicContact CE2-CG 4.29Å; F329-L333 HydrophobicContact CZ-CD1 3.65Å; F329-L333 HydrophobicContact CZ-CD2 4.44Å; F329-L333 HydrophobicContact CZ-CG 4.21Å; F329-L333 WeakPolarHBondContact O-CG 3.19Å; F329-L333 PolarHBondContact O-N 3.48Å; V330-L333 PolarHBondContact O-N 2.91Å; L333-M336 PolarHBondContact O-N 3.48Å; L333-W337 CarbonylContact O-C 3.56Å; L333-W337 WeakPolarHBondContact O-CA 3.45Å; L333-W337 PolarHBondContact O-N 3.03Å
334F97.7Very high95.1Very high1 Ų131.8 Ų31.80%0.00418%0.182CC..Hα-helixtrans-61.8-48.8177.5176.9-86.8000111.7I208 V213 L216 L238 W241 V330 A331 N332 M336 W337 P338 L340I208-F334 HydrophobicContact CB-CD1 4.41Å; I208-F334 HydrophobicContact CB-CE1 4.13Å; I208-F334 HydrophobicContact CD1-CD1 4.21Å; I208-F334 HydrophobicContact CG1-CD1 3.75Å; I208-F334 HydrophobicContact CG1-CE1 3.91Å; I208-F334 HydrophobicContact CG2-CD1 4.18Å; I208-F334 HydrophobicContact CG2-CE1 3.88Å; I208-F334 HydrophobicContact CG2-CZ 4.18Å; V213-F334 HydrophobicContact CB-CZ 4.14Å; V213-F334 HydrophobicContact CG1-CZ 4.06Å; V213-F334 HydrophobicContact CG2-CE1 3.93Å; V213-F334 HydrophobicContact CG2-CZ 3.96Å; L216-F334 HydrophobicContact CD1-CZ 4.33Å; L216-F334 HydrophobicContact CD2-CE2 3.66Å; L216-F334 HydrophobicContact CD2-CZ 3.63Å; L216-F334 HydrophobicContact CG-CZ 4.15Å; L238-F334 HydrophobicContact CD2-CB 3.5Å; L238-F334 VanDerWaalsContact CD2-CB 3.5Å; L238-F334 HydrophobicContact CD2-CD1 4.44Å; L238-F334 HydrophobicContact CD2-CD2 4.02Å; L238-F334 HydrophobicContact CD2-CG 3.72Å; W241-F334 HydrophobicContact CB-CD2 4.43Å; W241-F334 AromaticContact CD1-CD2 3.71Å; W241-F334 AromaticContact CD1-CE2 3.83Å; W241-F334 HydrophobicContact CD2-CB 4.48Å; W241-F334 AromaticContact CD2-CD2 3.67Å; W241-F334 HydrophobicContact CD2-CD2 3.67Å; W241-F334 AromaticContact CE2-CD2 3.69Å; W241-F334 HydrophobicContact CE3-CB 4.34Å; W241-F334 HydrophobicContact CE3-CD2 4.27Å; W241-F334 AromaticContact CG-CD2 3.7Å; W241-F334 HydrophobicContact CG-CD2 3.7Å; W241-F334 HydrophobicContact CG-CE2 4.09Å; W241-F334 HydrophobicContact CH2-CB 4.19Å; W241-F334 HydrophobicContact CZ2-CB 4.32Å; W241-F334 HydrophobicContact CZ2-CD2 4.31Å; W241-F334 HydrophobicContact CZ3-CB 4.19Å; W241-F334 AromaticContact NE1-CD2 3.66Å; V330-F334 PolarHBondContact O-N 2.95Å; A331-F334 PolarHBondContact O-N 2.9Å; N332-F334 VanDerWaalsContact C-N 3.32Å; N332-F334 PolarHBondContact O-N 3.44Å; F334-M336 PolarHBondContact O-N 2.94Å; F334-W337 CarbonylContact O-C 3.52Å; F334-W337 PolarHBondContact O-N 2.78Å; F334-P338 HydrophobicContact CE2-CB 4.33Å; F334-P338 WeakPolarHBondContact O-CA 3.25Å; F334-P338 WeakPolarHBondContact O-CD 3.18Å; F334-P338 WeakPolarHBondContact O-CG 3.22Å; F334-P338 VanDerWaalsContact O-N 3.1Å; F334-L340 HydrophobicContact CE2-CD1 4.48Å
335N95.4Very high94.8Very high43 Ų4332.6 Ų32.623%0.2320%0.199CC..Hα-helixtrans-63.2-32.1-177.2-69.4-14.6000112.5L204 A331 N332L204-N335 PolarHBondContact O-ND2 3.03Å; A331-N335 VanDerWaalsContact O-CG 3.29Å; A331-N335 PolarHBondContact O-N 3.14Å; N332-N335 PolarHBondContact O-N 3.26Å
336M94.5Very high94.3Very high92 Ų9240.6 Ų40.645%0.45324%0.237SC..Hα-helixtrans-86.4-39.6179.3-66.4-69.4-7000112.7N332 L333 F334N332-M336 WeakPolarHBondContact O-CB 3.33Å; N332-M336 VanDerWaalsContact O-CG 3.31Å; N332-M336 WeakPolarHBondContact O-CG 3.37Å; N332-M336 PolarHBondContact O-N 2.89Å; N332-M336 VanDerWaalsContact O-N 3.13Å; L333-M336 PolarHBondContact O-N 3.48Å; F334-M336 PolarHBondContact O-N 2.94Å
337W95.9Very high93.8Very high55 Ų5543.4 Ų43.421%0.20825%0.25CS..  trans-139.769.7-171.2-58.6101.9000111.4I275 P277 L307 C309 L333 F334 G339I275-W337 HydrophobicContact CB-CB 4.22Å; I275-W337 HydrophobicContact CD1-CB 4.08Å; I275-W337 HydrophobicContact CG1-CB 4.13Å; P277-W337 VanDerWaalsContact CD-CZ3 3.47Å; P277-W337 HydrophobicContact CG-CE3 3.81Å; P277-W337 HydrophobicContact CG-CH2 3.61Å; P277-W337 HydrophobicContact CG-CZ3 3.14Å; L307-W337 HydrophobicContact CD2-CZ2 4.36Å; L307-W337 PolarHBondContact O-NE1 3.33Å; L307-W337 VanDerWaalsContact O-NE1 3.16Å; C309-W337 VanDerWaalsContact SG-CD1 3.58Å; L333-W337 CarbonylContact O-C 3.56Å; L333-W337 WeakPolarHBondContact O-CA 3.45Å; L333-W337 PolarHBondContact O-N 3.03Å; F334-W337 CarbonylContact O-C 3.52Å; F334-W337 PolarHBondContact O-N 2.78Å; W337-G339 PolarHBondContact O-N 2.79Å
338P95.9Very high93.1Very high35 Ų3549.4 Ų49.423%0.22728%0.28CS..  trans-58.3-35.4178.6-19.927.6000112.1V213 W241 H245 F334 L340V213-P338 HydrophobicContact CG1-CB 4.17Å; V213-P338 HydrophobicContact CG1-CG 4.49Å; W241-P338 PolarHBondContact NE1-O 3.2Å; H245-P338 PolarHBondContact NE2-O 3.32Å; F334-P338 HydrophobicContact CE2-CB 4.33Å; F334-P338 WeakPolarHBondContact O-CA 3.25Å; F334-P338 WeakPolarHBondContact O-CD 3.18Å; F334-P338 WeakPolarHBondContact O-CG 3.22Å; F334-P338 VanDerWaalsContact O-N 3.1Å; P338-L340 PolarHBondContact O-N 3.12Å; P338-L340 VanDerWaalsContact O-N 3.08Å
339G94.9Very high92.4Very high46 Ų4657.2 Ų57.247%0.47432%0.316SS..  trans62.117178.800000114.3H245 W337H245-G339 PolarHBondContact CE1-O 3.32Å; H245-G339 VanDerWaalsContact CE1-O 3.26Å; W337-G339 PolarHBondContact O-N 2.79Å
340L95.2Very high91.4Very high22 Ų2263.6 Ų63.612%0.11535%0.35CS..PPolyproline II helixtrans-94.9133.9-179.9-62177.5000110.4V213 L216 L219 Y244 F334 P338V213-L340 HydrophobicContact CG1-CD1 4.46Å; L216-L340 HydrophobicContact CD2-CD1 3.83Å; L216-L340 HydrophobicContact CG-CD1 4.33Å; L219-L340 HydrophobicContact CD2-CD1 4.5Å; L219-L340 HydrophobicContact CD2-CD2 4.07Å; L219-L340 HydrophobicContact CG-CD1 4.44Å; Y244-L340 HydrophobicContact CD1-CD2 3.66Å; Y244-L340 HydrophobicContact CE1-CD2 3.58Å; Y244-L340 HydrophobicContact CG-CD2 4.39Å; F334-L340 HydrophobicContact CE2-CD1 4.48Å; P338-L340 PolarHBondContact O-N 3.12Å; P338-L340 VanDerWaalsContact O-N 3.08Å
341K91.8Very high90.5Very high142 Ų14264.6 Ų64.662%0.61736%0.356SS*.PPolyproline II helixtrans-64.7125.8173.4-172.5-172.9175.2-173.20109.1R218R218-K341 PolarHBondContact NE-O 2.82Å
342P88.6Confident89.6Confident89 Ų8972.6 Ų72.658%0.57839%0.393SS*.PPolyproline II helixtrans-60.5155.7175.326.4-34.1000110.7R218R218-P342 PolarHBondContact NH2-O 3.36Å
343P88.4Confident88.8Confident24 Ų2473.1 Ų73.116%0.15640%0.397CS..PPolyproline II helixtrans-61141.3172.225.4-31.8000110.9P214 F217 E347 M348 I351P214-P343 HydrophobicContact CB-CG 3.97Å; F217-P343 HydrophobicContact CD1-CB 4.48Å; F217-P343 HydrophobicContact CE1-CB 3.64Å; F217-P343 HydrophobicContact CE1-CG 4.26Å; F217-P343 HydrophobicContact CZ-CB 3.82Å; P343-E347 WeakPolarHBondContact CA-OE2 3.45Å; P343-E347 HydrophobicContact CB-CB 3.84Å; P343-M348 HydrophobicContact CB-CB 4.46Å; P343-I351 HydrophobicContact CB-CD1 3.46Å; P343-I351 VanDerWaalsContact CB-CD1 3.46Å; P343-I351 HydrophobicContact CG-CD1 3.79Å
344G90Very high88Confident36 Ų3677.8 Ų77.837%0.37142%0.418SS..PPolyproline II helixtrans-69.5172.9163.900000111.3E346 E347 M348G344-E346 VanDerWaalsContact C-N 3.35Å; G344-E346 PolarHBondContact O-N 3.4Å; G344-E347 PolarHBondContact N-OE2 3.39Å; G344-E347 PolarHBondContact O-N 3.13Å; G344-M348 WeakPolarHBondContact O-CB 3.12Å; G344-M348 PolarHBondContact O-N 2.81Å
345A86.7Confident87.4Confident77 Ų7784.6 Ų84.664%0.63645%0.451SS*.Hα-helixtrans-56.8-45.5-17800000112.9M348 E349A345-M348 PolarHBondContact O-N 3.12Å; A345-E349 PolarHBondContact O-N 2.9Å
346E85.1Confident87.2Confident168 Ų16885.6 Ų85.679%0.78545%0.454SS*.Hα-helixtrans-65.2-41.2177.8-63.1175.3-177.900111.7G344 M348 E349G344-E346 VanDerWaalsContact C-N 3.35Å; G344-E346 PolarHBondContact O-N 3.4Å; E346-M348 VanDerWaalsContact C-N 3.28Å; E346-M348 PolarHBondContact O-N 3.07Å; E346-E349 PolarHBondContact O-N 2.97Å
347E87Confident87.1Confident60 Ų6083.5 Ų83.528%0.2845%0.448SS..Hα-helixtrans-69.5-28.1179-60.6173.9131.600111.9F217 R218 P343 G344 E349 D350 I351F217-E347 HydrophobicContact CE2-CB 4.2Å; F217-E347 HydrophobicContact CE2-CG 4.4Å; F217-E347 HydrophobicContact CZ-CB 4.06Å; F217-E347 HydrophobicContact CZ-CG 4.37Å; R218-E347 IonicContact CZ-OE1 2.73Å; R218-E347 VanDerWaalsContact CZ-OE1 3.3Å; R218-E347 IonicContact CZ-OE2 3.52Å; R218-E347 IonicContact NH1-OE1 3.73Å; R218-E347 PolarHBondContact NH1-OE1 3.28Å; R218-E347 IonicContact NH1-OE2 3.82Å; R218-E347 VanDerWaalsContact NH2-CD 3.33Å; R218-E347 IonicContact NH2-OE1 2.87Å; R218-E347 PolarHBondContact NH2-OE1 2.91Å; R218-E347 VanDerWaalsContact NH2-OE1 3.16Å; R218-E347 IonicContact NH2-OE2 2.84Å; R218-E347 PolarHBondContact NH2-OE2 3.05Å; P343-E347 WeakPolarHBondContact CA-OE2 3.45Å; P343-E347 HydrophobicContact CB-CB 3.84Å; G344-E347 PolarHBondContact N-OE2 3.39Å; G344-E347 PolarHBondContact O-N 3.13Å; E347-E349 VanDerWaalsContact C-N 3.3Å; E347-D350 PolarHBondContact O-N 3.45Å; E347-I351 VanDerWaalsContact O-CD1 3.3Å; E347-I351 WeakPolarHBondContact O-CD1 3.38Å; E347-I351 WeakPolarHBondContact O-CG1 3.3Å; E347-I351 PolarHBondContact O-N 2.94Å
348M82.9Confident86.9Confident126 Ų12685 Ų8562%0.62145%0.454SS*.Hα-helixtrans-69.6-30.2178.4-166.8176.871.400111.8P343 G344 A345 E346 D350 I351P343-M348 HydrophobicContact CB-CB 4.46Å; G344-M348 WeakPolarHBondContact O-CB 3.12Å; G344-M348 PolarHBondContact O-N 2.81Å; A345-M348 PolarHBondContact O-N 3.12Å; E346-M348 VanDerWaalsContact C-N 3.28Å; E346-M348 PolarHBondContact O-N 3.07Å; M348-D350 VanDerWaalsContact C-N 3.3Å; M348-I351 PolarHBondContact O-N 3.24Å
349E81.5Confident86.8Confident163 Ų16386.9 Ų86.976%0.76246%0.46SS*.Hα-helixtrans-66.9-33.1173.4-65.8-178-177.300111.7A345 E346 E347 I351A345-E349 PolarHBondContact O-N 2.9Å; E346-E349 PolarHBondContact O-N 2.97Å; E347-E349 VanDerWaalsContact C-N 3.3Å; E349-I351 VanDerWaalsContact C-N 3.34Å
350D78.1Confident86.9Confident134 Ų13485.3 Ų85.372%0.71744%0.44SS*.Hα-helixtrans-78.8-17176.1-68.4-34000113.2E347 M348 E352E347-D350 PolarHBondContact O-N 3.45Å; M348-D350 VanDerWaalsContact C-N 3.3Å; D350-E352 VanDerWaalsContact C-N 3.34Å; D350-E352 PolarHBondContact O-N 3.16Å
351I79.1Confident86.8Confident22 Ų2288.2 Ų88.211%0.11345%0.452CS..  trans-93.465.8179-61.8161.3000108.8F217 I226 P343 E347 M348 E349 V353F217-I351 HydrophobicContact CB-CD1 4.05Å; F217-I351 HydrophobicContact CB-CG1 4.28Å; F217-I351 HydrophobicContact CD1-CD1 3.59Å; F217-I351 HydrophobicContact CD2-CD1 3.92Å; F217-I351 HydrophobicContact CD2-CG1 4.44Å; F217-I351 HydrophobicContact CE1-CD1 3.83Å; F217-I351 HydrophobicContact CE2-CD1 4.16Å; F217-I351 HydrophobicContact CG-CD1 3.58Å; F217-I351 HydrophobicContact CG-CG1 4.23Å; F217-I351 HydrophobicContact CZ-CD1 4.06Å; I226-I351 HydrophobicContact CD1-CG1 4.14Å; P343-I351 HydrophobicContact CB-CD1 3.46Å; P343-I351 VanDerWaalsContact CB-CD1 3.46Å; P343-I351 HydrophobicContact CG-CD1 3.79Å; E347-I351 VanDerWaalsContact O-CD1 3.3Å; E347-I351 WeakPolarHBondContact O-CD1 3.38Å; E347-I351 WeakPolarHBondContact O-CG1 3.3Å; E347-I351 PolarHBondContact O-N 2.94Å; M348-I351 PolarHBondContact O-N 3.24Å; E349-I351 VanDerWaalsContact C-N 3.34Å; I351-V353 HydrophobicContact CG2-CG2 3.42Å; I351-V353 VanDerWaalsContact CG2-CG2 3.42Å; I351-V353 PolarHBondContact O-N 3.31Å
352E78.1Confident87Confident167 Ų16781.8 Ų81.878%0.7842%0.424SS*.  trans-79.996.5165.8-167.4176.2-170.900108.8D350D350-E352 VanDerWaalsContact C-N 3.34Å; D350-E352 PolarHBondContact O-N 3.16Å
353V80.3Confident87.5Confident34 Ų3477.7 Ų77.721%0.20640%0.397CS..  trans-93.8111.3-179.7-175.40000108.8L210 V211 I351 E355L210-V353 HydrophobicContact CB-CB 4.43Å; L210-V353 HydrophobicContact CB-CG1 3.79Å; L210-V353 HydrophobicContact CB-CG2 3.72Å; L210-V353 HydrophobicContact CD1-CG2 4.33Å; L210-V353 HydrophobicContact CG-CG2 4.48Å; V211-V353 HydrophobicContact CG2-CG1 3.68Å; I351-V353 HydrophobicContact CG2-CG2 3.42Å; I351-V353 VanDerWaalsContact CG2-CG2 3.42Å; I351-V353 PolarHBondContact O-N 3.31Å; V353-E355 PolarHBondContact O-N 2.82Å
354E80.4Confident87.9Confident97 Ų9779.1 Ų79.145%0.45340%0.399SS..PPolyproline II helixtrans-68.4119.3169.3-64.3-176.7121.500110.3Q230 K450Q230-E354 PolarHBondContact NE2-O 2.94Å; E354-K450 IonicContact OE1-NZ 3.74Å; E354-K450 PolarHBondContact OE1-NZ 2.81Å; E354-K450 IonicContact OE2-NZ 3.15Å; E354-K450 PolarHBondContact OE2-NZ 2.67Å
355E86.3Confident88.2Confident145 Ų14578 Ų7868%0.67839%0.385SS*.PPolyproline II helixtrans-73.2146.2174.9-64.9-175.3-157.200112.1V211 V353 S357V211-E355 HydrophobicContact CG1-CG 4.44Å; V211-E355 HydrophobicContact CG2-CG 3.98Å; V353-E355 PolarHBondContact O-N 2.82Å; E355-S357 PolarHBondContact O-N 3.24Å
356E90.2Very high88.8Confident63 Ų6374.3 Ų74.329%0.29436%0.355SS..PPolyproline II helixtrans-64117.3170.3-176.7-177.7-127.700109.4E360 K361 R364E356-E360 HydrophobicContact CG-CB 3.82Å; E356-K361 HydrophobicContact CG-CB 4.06Å; E356-K361 VanDerWaalsContact OE2-CB 3.3Å; E356-K361 WeakPolarHBondContact OE2-CB 3.27Å; E356-K361 WeakPolarHBondContact OE2-CG 3.49Å; E356-R364 WeakPolarHBondContact OE1-CD 3.23Å; E356-R364 IonicContact OE1-CZ 2.71Å; E356-R364 IonicContact OE1-NE 3.05Å; E356-R364 PolarHBondContact OE1-NE 2.88Å; E356-R364 IonicContact OE1-NH2 3.99Å; E356-R364 IonicContact OE2-CZ 2.68Å; E356-R364 IonicContact OE2-NE 3.25Å; E356-R364 IonicContact OE2-NH2 2.66Å; E356-R364 PolarHBondContact OE2-NH2 3.31Å; E356-R364 VanDerWaalsContact OE2-NH2 3.15Å
357S93Very high89.4Confident49 Ų4966.3 Ų66.334%0.34332%0.317SS..PPolyproline II helixtrans-67.4158.2173.970.30000111.9E355 E359 E360 K361E355-S357 PolarHBondContact O-N 3.24Å; S357-E359 PolarHBondContact O-N 3.46Å; S357-E360 WeakPolarHBondContact CA-OE2 3.48Å; S357-E360 VanDerWaalsContact CB-OE2 3.23Å; S357-E360 WeakPolarHBondContact CB-OE2 3.35Å; S357-E360 PolarHBondContact N-OE2 2.76Å; S357-E360 PolarHBondContact O-N 3.15Å; S357-E360 VanDerWaalsContact O-N 3.15Å; S357-E360 VanDerWaalsContact OG-CG 3.23Å; S357-E360 WeakPolarHBondContact OG-CG 3.47Å; S357-E360 PolarHBondContact OG-N 3Å; S357-E360 PolarHBondContact OG-OE2 2.92Å; S357-K361 PolarHBondContact O-N 3.15Å
358R92Very high89.8Confident86 Ų8664.1 Ų64.133%0.32531%0.307SS..Hα-helixtrans-56.9-37176.8-63.4-170.5-49.4-144.1-0.1113.3T362 L562 E568R358-T362 WeakPolarHBondContact O-CB 3.47Å; R358-T362 PolarHBondContact O-N 3.24Å; R358-T362 PolarHBondContact O-OG1 3.36Å; R358-L562 HydrophobicContact CB-CD1 4.02Å; R358-L562 HydrophobicContact CG-CD1 4.2Å; R358-E568 IonicContact CZ-OE1 2.6Å; R358-E568 IonicContact CZ-OE2 2.62Å; R358-E568 IonicContact NH1-OE1 3.84Å; R358-E568 PolarHBondContact NH1-OE1 3.39Å; R358-E568 IonicContact NH1-OE2 2.79Å; R358-E568 IonicContact NH2-OE1 3.12Å; R358-E568 PolarHBondContact NH2-OE1 3.44Å; R358-E568 IonicContact NH2-OE2 3.67Å; R358-E568 PolarHBondContact NH2-OE2 3.42Å
359E94.2Very high90.5Very high74 Ų7458.3 Ų58.335%0.34628%0.279SS..Hα-helixtrans-66.4-46.6178.1-179.6171.6-154.800110.5S357 T362 Y363S357-E359 PolarHBondContact O-N 3.46Å; E359-T362 PolarHBondContact O-N 2.95Å; E359-Y363 HydrophobicContact CG-CD2 3.87Å; E359-Y363 HydrophobicContact CG-CE1 4.38Å; E359-Y363 HydrophobicContact CG-CE2 3.19Å; E359-Y363 VanDerWaalsContact CG-CZ 3.47Å; E359-Y363 WeakPolarHBondContact O-CD2 3.31Å; E359-Y363 VanDerWaalsContact O-CG 3.29Å; E359-Y363 PolarHBondContact O-N 3.38Å; E359-Y363 WeakPolarHBondContact OE1-CE2 3.41Å; E359-Y363 VanDerWaalsContact OE1-CZ 3.31Å; E359-Y363 PolarHBondContact OE1-OH 2.87Å
360E95.2Very high91.1Very high13 Ų1351.2 Ų51.26%0.06125%0.247CC..Hα-helixtrans-60.5-48.2176.5-69.6159.614900111.5E356 S357 T362 Y363 R364 L379 Y380 L454E356-E360 HydrophobicContact CG-CB 3.82Å; S357-E360 WeakPolarHBondContact CA-OE2 3.48Å; S357-E360 VanDerWaalsContact CB-OE2 3.23Å; S357-E360 WeakPolarHBondContact CB-OE2 3.35Å; S357-E360 PolarHBondContact N-OE2 2.76Å; S357-E360 PolarHBondContact O-N 3.15Å; S357-E360 VanDerWaalsContact O-N 3.15Å; S357-E360 VanDerWaalsContact OG-CG 3.23Å; S357-E360 WeakPolarHBondContact OG-CG 3.47Å; S357-E360 PolarHBondContact OG-N 3Å; S357-E360 PolarHBondContact OG-OE2 2.92Å; E360-T362 VanDerWaalsContact C-N 3.32Å; E360-T362 PolarHBondContact O-N 3.35Å; E360-Y363 PolarHBondContact O-N 2.94Å; E360-R364 WeakPolarHBondContact O-CB 3.47Å; E360-R364 PolarHBondContact O-N 2.93Å; E360-L379 HydrophobicContact CB-CD1 3.8Å; E360-L379 HydrophobicContact CG-CD1 3.93Å; E360-Y380 WeakPolarHBondContact OE1-CE2 3.37Å; E360-Y380 PolarHBondContact OE1-OH 3.09Å; E360-L454 HydrophobicContact CG-CD1 4.4Å; E360-L454 HydrophobicContact CG-CD2 3.97Å
361K94.2Very high91.7Very high84 Ų8445.7 Ų45.737%0.36522%0.222SC..Hα-helixtrans-56.8-45.2177.1-174.4170.9-178.1174.90112.1E356 S357 R364 N365E356-K361 HydrophobicContact CG-CB 4.06Å; E356-K361 VanDerWaalsContact OE2-CB 3.3Å; E356-K361 WeakPolarHBondContact OE2-CB 3.27Å; E356-K361 WeakPolarHBondContact OE2-CG 3.49Å; S357-K361 PolarHBondContact O-N 3.15Å; K361-R364 PolarHBondContact O-N 3.15Å; K361-N365 WeakPolarHBondContact O-CB 3.44Å; K361-N365 PolarHBondContact O-N 3.02Å
362T96.5Very high92.5Very high6 Ų644.8 Ų44.84%0.03722%0.217CC..Hα-helixtrans-61.7-45.7178.7-62.30000111.1R358 E359 E360 W366 M461 M573R358-T362 WeakPolarHBondContact O-CB 3.47Å; R358-T362 PolarHBondContact O-N 3.24Å; R358-T362 PolarHBondContact O-OG1 3.36Å; E359-T362 PolarHBondContact O-N 2.95Å; E360-T362 VanDerWaalsContact C-N 3.32Å; E360-T362 PolarHBondContact O-N 3.35Å; T362-W366 WeakPolarHBondContact O-CB 3.24Å; T362-W366 PolarHBondContact O-N 3.21Å; T362-M461 HydrophobicContact CG2-CE 4.04Å; T362-M461 HydrophobicContact CG2-SD 4.47Å; T362-M573 HydrophobicContact CG2-CE 3.72Å
363Y97.9Very high93.1Very high3 Ų342.3 Ų42.31%0.01221%0.205CC..Hα-helixtrans-67.4-43.4178.6-65.4-23.9000112.7E359 E360 W366 M367 L454 V457 W458 M461E359-Y363 HydrophobicContact CG-CD2 3.87Å; E359-Y363 HydrophobicContact CG-CE1 4.38Å; E359-Y363 HydrophobicContact CG-CE2 3.19Å; E359-Y363 VanDerWaalsContact CG-CZ 3.47Å; E359-Y363 WeakPolarHBondContact O-CD2 3.31Å; E359-Y363 VanDerWaalsContact O-CG 3.29Å; E359-Y363 PolarHBondContact O-N 3.38Å; E359-Y363 WeakPolarHBondContact OE1-CE2 3.41Å; E359-Y363 VanDerWaalsContact OE1-CZ 3.31Å; E359-Y363 PolarHBondContact OE1-OH 2.87Å; E360-Y363 PolarHBondContact O-N 2.94Å; Y363-W366 PolarHBondContact O-N 3.15Å; Y363-M367 VanDerWaalsContact O-CG 3.28Å; Y363-M367 WeakPolarHBondContact O-CG 3.09Å; Y363-M367 PolarHBondContact O-N 3.15Å; Y363-L454 HydrophobicContact CD2-CD2 3.65Å; Y363-L454 HydrophobicContact CE2-CD2 3.85Å; Y363-V457 HydrophobicContact CD1-CG1 3.99Å; Y363-V457 HydrophobicContact CD2-CB 4.14Å; Y363-V457 HydrophobicContact CD2-CG1 3.39Å; Y363-V457 HydrophobicContact CE2-CB 4.45Å; Y363-V457 HydrophobicContact CE2-CG1 4.02Å; Y363-V457 HydrophobicContact CG-CG1 3.39Å; Y363-W458 HydrophobicContact CE1-CE3 4.26Å; Y363-W458 WeakPolarHBondContact OH-CB 3.3Å; Y363-M461 HydrophobicContact CD1-SD 3.49Å; Y363-M461 WeakPolarHBondContact CD1-SD 3.25Å; Y363-M461 HydrophobicContact CE1-CB 4.44Å; Y363-M461 HydrophobicContact CE1-SD 3.51Å; Y363-M461 VanDerWaalsContact CE1-SD 3.51Å
364R97Very high93.7Very high54 Ų5444.6 Ų44.620%0.20422%0.221CC..Hα-helixtrans-58.4-49.7175.3-179.9-179.260.777.40.1111E356 E360 K361 W366 M367 N368 V376 H377E356-R364 WeakPolarHBondContact OE1-CD 3.23Å; E356-R364 IonicContact OE1-CZ 2.71Å; E356-R364 IonicContact OE1-NE 3.05Å; E356-R364 PolarHBondContact OE1-NE 2.88Å; E356-R364 IonicContact OE1-NH2 3.99Å; E356-R364 IonicContact OE2-CZ 2.68Å; E356-R364 IonicContact OE2-NE 3.25Å; E356-R364 IonicContact OE2-NH2 2.66Å; E356-R364 PolarHBondContact OE2-NH2 3.31Å; E356-R364 VanDerWaalsContact OE2-NH2 3.15Å; E360-R364 WeakPolarHBondContact O-CB 3.47Å; E360-R364 PolarHBondContact O-N 2.93Å; K361-R364 PolarHBondContact O-N 3.15Å; R364-W366 PolarHBondContact O-N 3.36Å; R364-M367 PolarHBondContact O-N 2.8Å; R364-N368 WeakPolarHBondContact O-CB 3.41Å; R364-N368 PolarHBondContact O-N 3.15Å; R364-N368 PolarHBondContact O-ND2 2.76Å; R364-V376 WeakPolarHBondContact CD-O 3.24Å; R364-V376 HydrophobicContact CG-CB 4.28Å; R364-V376 HydrophobicContact CG-CG1 4.05Å; R364-V376 WeakPolarHBondContact CG-O 3.46Å; R364-H377 VanDerWaalsContact CD-O 3.31Å; R364-H377 WeakPolarHBondContact CD-O 3.1Å
365N97.3Very high94.3Very high12 Ų1242.3 Ų42.36%0.06421%0.214CC..Hα-helixtrans-62.5-43.2179-71.7-6000111.6A171 I172 G173 K361 N368 S369A171-N365 WeakPolarHBondContact O-CB 3.16Å; A171-N365 PolarHBondContact O-ND2 3.44Å; I172-N365 PolarHBondContact O-OD1 3.44Å; G173-N365 WeakPolarHBondContact CA-O 3.26Å; K361-N365 WeakPolarHBondContact O-CB 3.44Å; K361-N365 PolarHBondContact O-N 3.02Å; N365-N368 PolarHBondContact O-N 3.23Å; N365-S369 VanDerWaalsContact O-CB 3.22Å; N365-S369 WeakPolarHBondContact O-CB 3.38Å; N365-S369 PolarHBondContact O-N 3.16Å; N365-S369 PolarHBondContact O-OG 2.65Å
366W97.6Very high94.7Very high1 Ų135.5 Ų35.50%0.00418%0.182CC..Hα-helixtrans-56.9-53.6174.4164.359.9000112.1T362 Y363 R364 N368 S369 V370 L392 V457 L460 M461 Y464 Y560T362-W366 WeakPolarHBondContact O-CB 3.24Å; T362-W366 PolarHBondContact O-N 3.21Å; Y363-W366 PolarHBondContact O-N 3.15Å; R364-W366 PolarHBondContact O-N 3.36Å; W366-N368 PolarHBondContact O-N 2.88Å; W366-S369 PolarHBondContact O-N 2.71Å; W366-S369 VanDerWaalsContact O-N 3.17Å; W366-S369 PolarHBondContact O-OG 2.7Å; W366-V370 PolarHBondContact O-N 3.22Å; W366-L392 HydrophobicContact CH2-CD1 4.12Å; W366-L392 HydrophobicContact CH2-CD2 3.88Å; W366-L392 HydrophobicContact CH2-CG 4.47Å; W366-L392 HydrophobicContact CZ2-CD2 4.1Å; W366-L392 HydrophobicContact CZ3-CD1 4.24Å; W366-L392 HydrophobicContact CZ3-CD2 4.41Å; W366-V457 HydrophobicContact CZ3-CG1 4.36Å; W366-L460 HydrophobicContact CH2-CB 3.8Å; W366-L460 HydrophobicContact CZ3-CB 4.34Å; W366-M461 HydrophobicContact CB-CE 4.35Å; W366-M461 HydrophobicContact CD2-CB 4.06Å; W366-M461 HydrophobicContact CD2-CG 3.85Å; W366-M461 HydrophobicContact CD2-SD 4.42Å; W366-M461 HydrophobicContact CE3-CB 3.81Å; W366-M461 HydrophobicContact CE3-CG 4.04Å; W366-M461 HydrophobicContact CE3-SD 4.46Å; W366-M461 HydrophobicContact CG-CE 4.4Å; W366-M461 HydrophobicContact CG-CG 4.22Å; W366-M461 HydrophobicContact CG-SD 4.44Å; W366-M461 HydrophobicContact CH2-CB 4Å; W366-M461 HydrophobicContact CZ2-CB 4.23Å; W366-M461 HydrophobicContact CZ3-CB 3.77Å; W366-M461 HydrophobicContact CZ3-CG 4.47Å; W366-Y464 HydrophobicContact CZ2-CD1 4.36Å; W366-Y464 AromaticContact CZ2-CG 3.96Å; W366-Y464 HydrophobicContact CZ2-CG 3.96Å; W366-Y464 AromaticContact NE1-CD1 3.17Å; W366-Y464 AromaticContact NE1-CE1 3.49Å; W366-Y464 AromaticContact NE1-CG 3.55Å; W366-Y560 HydrophobicContact CB-CD1 4Å; W366-Y560 HydrophobicContact CB-CE1 3.92Å; W366-Y560 HydrophobicContact CB-CE2 4.45Å; W366-Y560 HydrophobicContact CB-CG 4.31Å; W366-Y560 AromaticContact CD1-CE2 3.57Å; W366-Y560 AromaticContact CD1-CZ 3.57Å; W366-Y560 HydrophobicContact CG-CE2 4.33Å
367M98.1Very high94.8Very high0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-58.2-48-179.6-69.8-176.6-166.600112.2Y363 R364 S369 V370 G371 V372 V376 L379 L383 I388 L392 V457Y363-M367 VanDerWaalsContact O-CG 3.28Å; Y363-M367 WeakPolarHBondContact O-CG 3.09Å; Y363-M367 PolarHBondContact O-N 3.15Å; R364-M367 PolarHBondContact O-N 2.8Å; M367-S369 VanDerWaalsContact C-N 3.25Å; M367-S369 PolarHBondContact O-N 2.94Å; M367-V370 WeakPolarHBondContact O-CG2 3.47Å; M367-V370 PolarHBondContact O-N 2.92Å; M367-G371 PolarHBondContact O-N 2.9Å; M367-V372 HydrophobicContact CB-CG2 4.09Å; M367-V372 WeakPolarHBondContact O-CG2 3.19Å; M367-V376 HydrophobicContact CB-CG2 4.22Å; M367-V376 HydrophobicContact SD-CG2 4.08Å; M367-L379 HydrophobicContact CE-CD2 3.9Å; M367-L379 HydrophobicContact SD-CD2 3.96Å; M367-L383 HydrophobicContact CE-CD1 4.05Å; M367-L383 HydrophobicContact CE-CD2 4.46Å; M367-L383 HydrophobicContact SD-CD1 4.5Å; M367-L383 HydrophobicContact SD-CD2 4.07Å; M367-I388 HydrophobicContact SD-CG2 4.3Å; M367-L392 HydrophobicContact CE-CD1 3.94Å; M367-L392 HydrophobicContact CG-CD1 3.94Å; M367-L392 HydrophobicContact CG-CD2 4.19Å; M367-L392 HydrophobicContact SD-CD1 3.98Å; M367-V457 HydrophobicContact CE-CB 4.11Å; M367-V457 HydrophobicContact CE-CG1 3.3Å; M367-V457 HydrophobicContact CE-CG2 3.65Å
368N97Very high94.8Very high13 Ų1334.3 Ų34.37%0.0717%0.17CC..Hα-helixtrans-62.8-36.9179.5-72.6-26.7000111.7G173 R364 N365 W366 V370 G371 T375 V376G173-N368 WeakPolarHBondContact O-CB 3.38Å; R364-N368 WeakPolarHBondContact O-CB 3.41Å; R364-N368 PolarHBondContact O-N 3.15Å; R364-N368 PolarHBondContact O-ND2 2.76Å; N365-N368 PolarHBondContact O-N 3.23Å; W366-N368 PolarHBondContact O-N 2.88Å; N368-V370 VanDerWaalsContact C-N 3.31Å; N368-V370 PolarHBondContact O-N 2.6Å; N368-G371 PolarHBondContact O-N 3.31Å; N368-G371 VanDerWaalsContact O-N 3.07Å; N368-T375 WeakPolarHBondContact OD1-CG2 3.38Å; N368-V376 PolarHBondContact ND2-O 3.04Å; N368-V376 PolarHBondContact OD1-N 2.71Å
369S96.2Very high95Very high4 Ų430.3 Ų30.33%0.02816%0.155CC..Hα-helixtrans-72.3-22.7-177.977.30000115.2R170 C174 I176 N365 W366 M367 G371 Y560R170-S369 WeakPolarHBondContact O-CB 3.45Å; C174-S369 WeakPolarHBondContact O-CA 3.34Å; C174-S369 WeakPolarHBondContact O-CB 3.47Å; I176-S369 PolarHBondContact N-O 2.92Å; N365-S369 VanDerWaalsContact O-CB 3.22Å; N365-S369 WeakPolarHBondContact O-CB 3.38Å; N365-S369 PolarHBondContact O-N 3.16Å; N365-S369 PolarHBondContact O-OG 2.65Å; W366-S369 PolarHBondContact O-N 2.71Å; W366-S369 VanDerWaalsContact O-N 3.17Å; W366-S369 PolarHBondContact O-OG 2.7Å; M367-S369 VanDerWaalsContact C-N 3.25Å; M367-S369 PolarHBondContact O-N 2.94Å; S369-G371 VanDerWaalsContact C-N 3.3Å; S369-Y560 WeakPolarHBondContact OG-CE1 3.37Å; S369-Y560 PolarHBondContact OG-OH 2.69Å
370V94.1Very high95.1Very high15 Ų1527.3 Ų27.39%0.09114%0.14CC..THydrogen-bonded Turntrans-88.82.4171.7-58.30000112.7W366 M367 N368 V372 L392 I395 Y464W366-V370 PolarHBondContact O-N 3.22Å; M367-V370 WeakPolarHBondContact O-CG2 3.47Å; M367-V370 PolarHBondContact O-N 2.92Å; N368-V370 VanDerWaalsContact C-N 3.31Å; N368-V370 PolarHBondContact O-N 2.6Å; V370-V372 HydrophobicContact CG2-CG1 4.22Å; V370-L392 HydrophobicContact CG2-CD2 3.9Å; V370-I395 HydrophobicContact CB-CD1 4.29Å; V370-I395 HydrophobicContact CB-CG2 4.35Å; V370-I395 HydrophobicContact CG2-CD1 3.92Å; V370-Y464 HydrophobicContact CG1-CE1 4.48Å; V370-Y464 HydrophobicContact CG1-CE2 3.85Å
371G91.9Very high95Very high18 Ų1828.1 Ų28.119%0.18615%0.147CC..THydrogen-bonded Turntrans8526.8166.200000115.8M367 N368 S369M367-G371 PolarHBondContact O-N 2.9Å; N368-G371 PolarHBondContact O-N 3.31Å; N368-G371 VanDerWaalsContact O-N 3.07Å; S369-G371 VanDerWaalsContact C-N 3.3Å
372V95Very high95Very high2 Ų225.6 Ų25.61%0.01214%0.138CC..  trans-59.4150.4173.8-57.40000111.9M367 V370 V376 I388 Q391 L392 I395M367-V372 HydrophobicContact CB-CG2 4.09Å; M367-V372 WeakPolarHBondContact O-CG2 3.19Å; V370-V372 HydrophobicContact CG2-CG1 4.22Å; V372-V376 HydrophobicContact CG2-CG2 3.88Å; V372-I388 HydrophobicContact CB-CG2 3.97Å; V372-I388 HydrophobicContact CG1-CG2 4.06Å; V372-I388 HydrophobicContact CG2-CG2 3.96Å; V372-Q391 HydrophobicContact CG1-CB 4.42Å; V372-L392 HydrophobicContact CG1-CD2 3.64Å; V372-L392 HydrophobicContact CG1-CG 4.05Å; V372-I395 HydrophobicContact CG1-CD1 4.21Å
373Q91.7Very high95.1Very high115 Ų11525.3 Ų25.354%0.53714%0.136SC..SBendtrans-128.1129.6179.8-65.6-62.5-31.300111.5Q391Q373-Q391 PolarHBondContact O-NE2 3.24Å
374P91.9Very high95Very high82 Ų8226.3 Ų26.353%0.53214%0.143SC..SBendcis-67.6170.8-5.732-36.8000112.5V376 I388P374-V376 PolarHBondContact O-N 3.49Å; P374-I388 HydrophobicContact CG-CD1 4.44Å
375T92.3Very high94.9Very high50 Ų5025.2 Ų25.231%0.30714%0.141SC..PPolyproline II helixtrans-58.2134.9169.2-59.10000110.1N368 H377N368-T375 WeakPolarHBondContact OD1-CG2 3.38Å; T375-H377 PolarHBondContact O-CD2 3.36Å
376V95.8Very high94.9Very high1 Ų124.7 Ų24.71%0.00614%0.138CC..PPolyproline II helixtrans-80.4122.7176-177.80000109.4R364 M367 N368 V372 P374 L379 D382 I388R364-V376 WeakPolarHBondContact CD-O 3.24Å; R364-V376 HydrophobicContact CG-CB 4.28Å; R364-V376 HydrophobicContact CG-CG1 4.05Å; R364-V376 WeakPolarHBondContact CG-O 3.46Å; M367-V376 HydrophobicContact CB-CG2 4.22Å; M367-V376 HydrophobicContact SD-CG2 4.08Å; N368-V376 PolarHBondContact ND2-O 3.04Å; N368-V376 PolarHBondContact OD1-N 2.71Å; V372-V376 HydrophobicContact CG2-CG2 3.88Å; P374-V376 PolarHBondContact O-N 3.49Å; V376-L379 HydrophobicContact CG1-CD2 3.87Å; V376-L379 HydrophobicContact CG1-CG 4.48Å; V376-D382 HydrophobicContact CG1-CB 4.33Å; V376-I388 HydrophobicContact CG2-CD1 3.64Å; V376-I388 HydrophobicContact CG2-CG2 4.18Å
377H92.7Very high94.9Very high53 Ų5326 Ų2625%0.24515%0.145CC..SBendtrans-106.4-48.4172.7-63.7-69.3000110.7R364 T375 D382R364-H377 VanDerWaalsContact CD-O 3.31Å; R364-H377 WeakPolarHBondContact CD-O 3.1Å; T375-H377 PolarHBondContact O-CD2 3.36Å; H377-D382 WeakPolarHBondContact CA-OD2 3.41Å; H377-D382 PolarHBondContact N-OD2 3.41Å
378W93.2Very high94.9Very high34 Ų3426 Ų2613%0.12915%0.145CC..SBendtrans-133.6111.4-179.6-173-114.4000110.2Y380 S381 D382W378-Y380 HydrophobicContact CD2-CD2 4.46Å; W378-Y380 AromaticContact CE2-CD2 3.66Å; W378-Y380 AromaticContact CZ2-CD2 3.8Å; W378-Y380 HydrophobicContact CZ2-CD2 3.8Å; W378-Y380 HydrophobicContact CZ2-CE2 4.01Å; W378-Y380 AromaticContact NE1-CD2 3.59Å; W378-Y380 PolarHBondContact O-N 3.07Å; W378-S381 PolarHBondContact O-N 3.16Å; W378-S381 PolarHBondContact O-OG 3.25Å; W378-D382 PolarHBondContact N-OD2 2.91Å; W378-D382 WeakPolarHBondContact O-CB 3.49Å; W378-D382 PolarHBondContact O-N 3.19Å
379L95.5Very high95Very high3 Ų325.5 Ų25.52%0.01614%0.143CC..Hα-helixtrans-50.7-41.7-169-71.9170.7000113E360 M367 V376 L383 L454E360-L379 HydrophobicContact CB-CD1 3.8Å; E360-L379 HydrophobicContact CG-CD1 3.93Å; M367-L379 HydrophobicContact CE-CD2 3.9Å; M367-L379 HydrophobicContact SD-CD2 3.96Å; V376-L379 HydrophobicContact CG1-CD2 3.87Å; V376-L379 HydrophobicContact CG1-CG 4.48Å; L379-L383 HydrophobicContact CB-CD1 4.36Å; L379-L383 HydrophobicContact CD2-CD1 4.14Å; L379-L383 WeakPolarHBondContact O-CB 3.33Å; L379-L383 WeakPolarHBondContact O-CD1 3.35Å; L379-L383 WeakPolarHBondContact O-CG 3.13Å; L379-L383 PolarHBondContact O-N 2.8Å; L379-L383 VanDerWaalsContact O-N 3.13Å; L379-L454 HydrophobicContact CD1-CD2 4.02Å
380Y95.3Very high95.1Very high11 Ų1125.3 Ų25.34%0.04314%0.141CC..Hα-helixtrans-75.1-40.3-170.7-51.1-56.6000113.1E360 W378 K450 T453 L454E360-Y380 WeakPolarHBondContact OE1-CE2 3.37Å; E360-Y380 PolarHBondContact OE1-OH 3.09Å; W378-Y380 HydrophobicContact CD2-CD2 4.46Å; W378-Y380 AromaticContact CE2-CD2 3.66Å; W378-Y380 AromaticContact CZ2-CD2 3.8Å; W378-Y380 HydrophobicContact CZ2-CD2 3.8Å; W378-Y380 HydrophobicContact CZ2-CE2 4.01Å; W378-Y380 AromaticContact NE1-CD2 3.59Å; W378-Y380 PolarHBondContact O-N 3.07Å; Y380-K450 HydrophobicContact CD1-CB 4.48Å; Y380-K450 HydrophobicContact CD1-CG 4.19Å; Y380-K450 HydrophobicContact CD2-CD 4.39Å; Y380-K450 HydrophobicContact CD2-CG 4.04Å; Y380-K450 HydrophobicContact CE1-CB 3.77Å; Y380-K450 HydrophobicContact CE1-CG 3.79Å; Y380-K450 HydrophobicContact CE2-CB 4.32Å; Y380-K450 HydrophobicContact CE2-CD 3.68Å; Y380-K450 HydrophobicContact CE2-CG 3.59Å; Y380-K450 HydrophobicContact CG-CG 4.31Å; Y380-K450 VanDerWaalsContact CZ-CG 3.42Å; Y380-K450 WeakPolarHBondContact OH-CB 3.18Å; Y380-T453 HydrophobicContact CD1-CG2 4.16Å; Y380-T453 HydrophobicContact CE1-CG2 4.38Å; Y380-L454 HydrophobicContact CE1-CG 4.36Å; Y380-L454 WeakPolarHBondContact OH-CD1 3.47Å
381S92.9Very high95.3Very high29 Ų2926.6 Ų26.620%0.20315%0.146CC..Hα-helixtrans-77.7-34.9175.852.40000112W378 C384W378-S381 PolarHBondContact O-N 3.16Å; W378-S381 PolarHBondContact O-OG 3.25Å; S381-C384 PolarHBondContact O-SG 3.22Å
382D95.4Very high95.6Very high32 Ų3225.7 Ų25.717%0.17114%0.137CC..Hα-helixtrans-81.6-25.2-171.1-61.7-15.1000112.2V376 H377 W378 I388V376-D382 HydrophobicContact CG1-CB 4.33Å; H377-D382 WeakPolarHBondContact CA-OD2 3.41Å; H377-D382 PolarHBondContact N-OD2 3.41Å; W378-D382 PolarHBondContact N-OD2 2.91Å; W378-D382 WeakPolarHBondContact O-CB 3.49Å; W378-D382 PolarHBondContact O-N 3.19Å; D382-I388 HydrophobicContact CB-CD1 4.33Å
383L97.6Very high95.8Very high0 Ų025.8 Ų25.80%014%0.137CC..SBendtrans-89.5-10.2176.8-58.8177.7000113.6M367 L379 N385 G386 I388 I389 T453 V457M367-L383 HydrophobicContact CE-CD1 4.05Å; M367-L383 HydrophobicContact CE-CD2 4.46Å; M367-L383 HydrophobicContact SD-CD1 4.5Å; M367-L383 HydrophobicContact SD-CD2 4.07Å; L379-L383 HydrophobicContact CB-CD1 4.36Å; L379-L383 HydrophobicContact CD2-CD1 4.14Å; L379-L383 WeakPolarHBondContact O-CB 3.33Å; L379-L383 WeakPolarHBondContact O-CD1 3.35Å; L379-L383 WeakPolarHBondContact O-CG 3.13Å; L379-L383 PolarHBondContact O-N 2.8Å; L379-L383 VanDerWaalsContact O-N 3.13Å; L383-N385 PolarHBondContact O-N 3.44Å; L383-G386 PolarHBondContact O-N 2.69Å; L383-I388 HydrophobicContact CD2-CB 3.67Å; L383-I388 HydrophobicContact CD2-CD1 4.42Å; L383-I388 HydrophobicContact CD2-CG2 3.46Å; L383-I388 VanDerWaalsContact CD2-CG2 3.46Å; L383-I389 HydrophobicContact CB-CD1 4.38Å; L383-I389 HydrophobicContact CD2-CG1 4.21Å; L383-T453 HydrophobicContact CD1-CG2 3.9Å; L383-V457 HydrophobicContact CD1-CG2 3.74Å
384C95.9Very high96Very high23 Ų2321.9 Ų21.916%0.15512%0.12CC..THydrogen-bonded Turntrans-64.6-17.6-168.677.20000114.9S381 C423 Y446S381-C384 PolarHBondContact O-SG 3.22Å; C384-C423 PolarHBondContact O-SG 2.97Å; C384-Y446 WeakPolarHBondContact CB-O 3.41Å
385N95.6Very high96.1Very high32 Ų3221.2 Ų21.217%0.17111%0.111CC..THydrogen-bonded Turntrans-98-2.217868.932.2000114L383 L387 F410 Q419 N422L383-N385 PolarHBondContact O-N 3.44Å; N385-L387 VanDerWaalsContact C-N 3.26Å; N385-L387 PolarHBondContact O-N 3.37Å; N385-L387 VanDerWaalsContact OD1-CB 3.31Å; N385-L387 WeakPolarHBondContact OD1-CB 3.12Å; N385-L387 WeakPolarHBondContact OD1-CG 3.14Å; N385-L387 PolarHBondContact OD1-N 3.34Å; N385-F410 HydrophobicContact CB-CE2 4.05Å; N385-F410 HydrophobicContact CB-CZ 3.88Å; N385-Q419 HydrophobicContact CB-CB 4.36Å; N385-Q419 HydrophobicContact CB-CG 3.71Å; N385-N422 WeakPolarHBondContact O-CB 3.49Å; N385-N422 PolarHBondContact O-ND2 3.08Å
386G97.8Very high96.2Very high0 Ų020.3 Ų20.30%010%0.104CC..SBendtrans75.7-10.5178.200000116.6L383 I388 I389 F390L383-G386 PolarHBondContact O-N 2.69Å; G386-I388 PolarHBondContact O-N 2.75Å; G386-I389 WeakPolarHBondContact O-CB 3.23Å; G386-I389 PolarHBondContact O-N 3.48Å; G386-F390 WeakPolarHBondContact O-CD2 3.17Å; G386-F390 WeakPolarHBondContact O-CG 3.37Å; G386-F390 PolarHBondContact O-N 2.96Å
387L98Very high96.1Very high28 Ų2826.8 Ų26.815%0.14713%0.133CC..Hα-helixtrans-64.8-40.3-172-68.1179.7000113.8N385 I389 F390 Q391 V406 T408 F410N385-L387 VanDerWaalsContact C-N 3.26Å; N385-L387 PolarHBondContact O-N 3.37Å; N385-L387 VanDerWaalsContact OD1-CB 3.31Å; N385-L387 WeakPolarHBondContact OD1-CB 3.12Å; N385-L387 WeakPolarHBondContact OD1-CG 3.14Å; N385-L387 PolarHBondContact OD1-N 3.34Å; L387-I389 VanDerWaalsContact C-N 3.33Å; L387-F390 HydrophobicContact CD2-CD2 4.38Å; L387-F390 PolarHBondContact O-N 2.99Å; L387-Q391 PolarHBondContact O-N 3.05Å; L387-Q391 PolarHBondContact O-NE2 3.28Å; L387-V406 HydrophobicContact CD2-CG1 3.58Å; L387-T408 HydrophobicContact CD2-CG2 4.19Å; L387-F410 HydrophobicContact CD1-CE2 3.83Å; L387-F410 HydrophobicContact CD1-CZ 4.3Å; L387-F410 HydrophobicContact CG-CE2 4.4Å; L387-F410 HydrophobicContact CG-CZ 4.41Å
388I98.3Very high96.2Very high1 Ų129.6 Ų29.61%0.00516%0.156CC..Hα-helixtrans-68.6-37.9177.2-66.5179.6000110.1M367 V372 P374 V376 D382 L383 G386 F390 Q391 L392M367-I388 HydrophobicContact SD-CG2 4.3Å; V372-I388 HydrophobicContact CB-CG2 3.97Å; V372-I388 HydrophobicContact CG1-CG2 4.06Å; V372-I388 HydrophobicContact CG2-CG2 3.96Å; P374-I388 HydrophobicContact CG-CD1 4.44Å; V376-I388 HydrophobicContact CG2-CD1 3.64Å; V376-I388 HydrophobicContact CG2-CG2 4.18Å; D382-I388 HydrophobicContact CB-CD1 4.33Å; L383-I388 HydrophobicContact CD2-CB 3.67Å; L383-I388 HydrophobicContact CD2-CD1 4.42Å; L383-I388 HydrophobicContact CD2-CG2 3.46Å; L383-I388 VanDerWaalsContact CD2-CG2 3.46Å; G386-I388 PolarHBondContact O-N 2.75Å; I388-F390 VanDerWaalsContact C-N 3.32Å; I388-F390 PolarHBondContact O-N 3.29Å; I388-Q391 WeakPolarHBondContact O-CB 3.42Å; I388-Q391 PolarHBondContact O-N 2.78Å; I388-L392 HydrophobicContact CG2-CD1 4.28Å; I388-L392 WeakPolarHBondContact O-CG 3.46Å; I388-L392 PolarHBondContact O-N 3.45Å
389I98.7Very high96.3Very high2 Ų231.4 Ų31.41%0.0118%0.184CC..Hα-helixtrans-62-41.1176.9-59.4173.1000110.8L383 G386 L387 L392 Y393 A426 I445 L456 L460L383-I389 HydrophobicContact CB-CD1 4.38Å; L383-I389 HydrophobicContact CD2-CG1 4.21Å; G386-I389 WeakPolarHBondContact O-CB 3.23Å; G386-I389 PolarHBondContact O-N 3.48Å; L387-I389 VanDerWaalsContact C-N 3.33Å; I389-L392 PolarHBondContact O-N 3.49Å; I389-Y393 HydrophobicContact CG2-CD2 3.92Å; I389-Y393 HydrophobicContact CG2-CE2 3.52Å; I389-Y393 VanDerWaalsContact O-CD2 3.26Å; I389-Y393 WeakPolarHBondContact O-CD2 3.29Å; I389-Y393 PolarHBondContact O-N 2.87Å; I389-A426 HydrophobicContact CB-CB 4.35Å; I389-A426 HydrophobicContact CG2-CB 3.84Å; I389-I445 HydrophobicContact CD1-CG2 3.73Å; I389-L456 HydrophobicContact CD1-CD2 3.99Å; I389-L456 HydrophobicContact CG2-CD2 4.46Å; I389-L460 HydrophobicContact CG2-CD1 4.04Å
390F98.6Very high96.3Very high0 Ų032.5 Ų32.50%019%0.191CC..Hα-helixtrans-61.7-44173.7-64.4-45.4000112.7G386 L387 I388 L392 Y393 D394 V401 W403 V406 N422 Y425 A426 L429G386-F390 WeakPolarHBondContact O-CD2 3.17Å; G386-F390 WeakPolarHBondContact O-CG 3.37Å; G386-F390 PolarHBondContact O-N 2.96Å; L387-F390 HydrophobicContact CD2-CD2 4.38Å; L387-F390 PolarHBondContact O-N 2.99Å; I388-F390 VanDerWaalsContact C-N 3.32Å; I388-F390 PolarHBondContact O-N 3.29Å; F390-L392 VanDerWaalsContact C-N 3.3Å; F390-L392 PolarHBondContact O-N 3.32Å; F390-Y393 PolarHBondContact O-N 3.5Å; F390-D394 PolarHBondContact O-N 2.95Å; F390-D394 VanDerWaalsContact O-N 3.13Å; F390-V401 HydrophobicContact CB-CG1 4.05Å; F390-V401 HydrophobicContact CB-CG2 3.96Å; F390-V401 HydrophobicContact CD1-CG1 3.88Å; F390-V401 HydrophobicContact CD1-CG2 4.12Å; F390-V401 HydrophobicContact CG-CG1 4.04Å; F390-V401 HydrophobicContact CG-CG2 4.45Å; F390-V401 VanDerWaalsContact O-CG2 3.31Å; F390-V401 WeakPolarHBondContact O-CG2 3.4Å; F390-W403 HydrophobicContact CB-CH2 3.73Å; F390-W403 HydrophobicContact CB-CZ2 4.09Å; F390-W403 HydrophobicContact CB-CZ3 4.27Å; F390-V406 HydrophobicContact CD1-CG2 4.45Å; F390-V406 HydrophobicContact CD2-CB 4.37Å; F390-V406 HydrophobicContact CD2-CG1 3.62Å; F390-V406 HydrophobicContact CD2-CG2 3.76Å; F390-V406 HydrophobicContact CE1-CG2 4.4Å; F390-V406 HydrophobicContact CE2-CB 4.27Å; F390-V406 HydrophobicContact CE2-CG1 3.65Å; F390-V406 HydrophobicContact CE2-CG2 3.73Å; F390-V406 HydrophobicContact CG-CG2 4.16Å; F390-V406 HydrophobicContact CZ-CG2 4.05Å; F390-N422 HydrophobicContact CE2-CB 3.83Å; F390-N422 HydrophobicContact CZ-CB 4.13Å; F390-N422 WeakPolarHBondContact CZ-O 3.38Å; F390-Y425 AromaticContact CE1-CD1 3.55Å; F390-Y425 HydrophobicContact CE1-CD1 3.55Å; F390-Y425 HydrophobicContact CE1-CE1 4.04Å; F390-Y425 HydrophobicContact CE1-CG 4.12Å; F390-Y425 AromaticContact CZ-CD1 3.58Å; F390-Y425 HydrophobicContact CZ-CD1 3.58Å; F390-Y425 HydrophobicContact CZ-CE1 4.38Å; F390-Y425 HydrophobicContact CZ-CG 4.21Å; F390-A426 HydrophobicContact CD1-CB 4.47Å; F390-A426 HydrophobicContact CE1-CB 3.86Å; F390-A426 HydrophobicContact CZ-CB 4.24Å; F390-L429 HydrophobicContact CD1-CD1 3.88Å; F390-L429 HydrophobicContact CE1-CD1 3.93Å
391Q98.3Very high96.4Very high42 Ų4232.4 Ų32.420%0.19619%0.192CC..Hα-helixtrans-58.7-43.8175-71.7168.472.200111.5V372 Q373 L387 I388 Y393 D394 I395 W403V372-Q391 HydrophobicContact CG1-CB 4.42Å; Q373-Q391 PolarHBondContact O-NE2 3.24Å; L387-Q391 PolarHBondContact O-N 3.05Å; L387-Q391 PolarHBondContact O-NE2 3.28Å; I388-Q391 WeakPolarHBondContact O-CB 3.42Å; I388-Q391 PolarHBondContact O-N 2.78Å; Q391-Y393 PolarHBondContact O-N 3.19Å; Q391-D394 PolarHBondContact O-N 2.76Å; Q391-I395 WeakPolarHBondContact O-CB 3.17Å; Q391-I395 VanDerWaalsContact O-CG1 3.23Å; Q391-I395 WeakPolarHBondContact O-CG1 3.43Å; Q391-I395 PolarHBondContact O-N 3.49Å; Q391-W403 HydrophobicContact CG-CH2 4.11Å
392L98.3Very high96.7Very high0 Ų034.5 Ų34.50%020%0.201CC..Hα-helixtrans-61.5-41.3177-66.3171.1000112.1W366 M367 V370 V372 I388 I389 F390 D394 I395 I396 L460W366-L392 HydrophobicContact CH2-CD1 4.12Å; W366-L392 HydrophobicContact CH2-CD2 3.88Å; W366-L392 HydrophobicContact CH2-CG 4.47Å; W366-L392 HydrophobicContact CZ2-CD2 4.1Å; W366-L392 HydrophobicContact CZ3-CD1 4.24Å; W366-L392 HydrophobicContact CZ3-CD2 4.41Å; M367-L392 HydrophobicContact CE-CD1 3.94Å; M367-L392 HydrophobicContact CG-CD1 3.94Å; M367-L392 HydrophobicContact CG-CD2 4.19Å; M367-L392 HydrophobicContact SD-CD1 3.98Å; V370-L392 HydrophobicContact CG2-CD2 3.9Å; V372-L392 HydrophobicContact CG1-CD2 3.64Å; V372-L392 HydrophobicContact CG1-CG 4.05Å; I388-L392 HydrophobicContact CG2-CD1 4.28Å; I388-L392 WeakPolarHBondContact O-CG 3.46Å; I388-L392 PolarHBondContact O-N 3.45Å; I389-L392 PolarHBondContact O-N 3.49Å; F390-L392 VanDerWaalsContact C-N 3.3Å; F390-L392 PolarHBondContact O-N 3.32Å; L392-D394 PolarHBondContact O-N 2.96Å; L392-I395 PolarHBondContact O-N 3.45Å; L392-I396 WeakPolarHBondContact O-CD1 3.46Å; L392-I396 WeakPolarHBondContact O-CG1 3.26Å; L392-I396 PolarHBondContact O-N 3.34Å; L392-L460 HydrophobicContact CB-CD2 4.41Å; L392-L460 HydrophobicContact CD1-CD1 4.1Å
393Y98.4Very high96.8Very high3 Ų338 Ų381%0.01221%0.212CC..Hα-helixtrans-58.1-46.3174.8-82.3-56.9000112.4I389 F390 Q391 I396 K397 T400 A426 L429 G430 V433 F435 L460I389-Y393 HydrophobicContact CG2-CD2 3.92Å; I389-Y393 HydrophobicContact CG2-CE2 3.52Å; I389-Y393 VanDerWaalsContact O-CD2 3.26Å; I389-Y393 WeakPolarHBondContact O-CD2 3.29Å; I389-Y393 PolarHBondContact O-N 2.87Å; F390-Y393 PolarHBondContact O-N 3.5Å; Q391-Y393 PolarHBondContact O-N 3.19Å; Y393-I396 PolarHBondContact O-N 3.15Å; Y393-K397 PolarHBondContact O-N 3.27Å; Y393-T400 HydrophobicContact CD1-CG2 4.1Å; Y393-T400 HydrophobicContact CG-CG2 4.17Å; Y393-A426 WeakPolarHBondContact CE2-O 3.35Å; Y393-A426 PolarHBondContact OH-O 3.31Å; Y393-L429 HydrophobicContact CD2-CB 4.2Å; Y393-L429 HydrophobicContact CD2-CD1 4.11Å; Y393-L429 HydrophobicContact CE2-CB 3.91Å; Y393-L429 HydrophobicContact CE2-CD1 4.49Å; Y393-G430 WeakPolarHBondContact OH-CA 3.43Å; Y393-G430 PolarHBondContact OH-N 3.09Å; Y393-G430 VanDerWaalsContact OH-N 3.15Å; Y393-V433 HydrophobicContact CD1-CG2 4.44Å; Y393-V433 HydrophobicContact CE1-CG2 3.82Å; Y393-F435 HydrophobicContact CE1-CD2 4.44Å; Y393-F435 AromaticContact CE1-CE2 3.77Å; Y393-F435 HydrophobicContact CE1-CE2 3.77Å; Y393-F435 HydrophobicContact CE1-CZ 4.24Å; Y393-L460 HydrophobicContact CD1-CD2 3.83Å; Y393-L460 HydrophobicContact CE1-CD2 3.55Å; Y393-L460 HydrophobicContact CE2-CD2 4.35Å; Y393-L460 HydrophobicContact CG-CD2 4.3Å
394D96Very high96.7Very high33 Ų3347.4 Ų47.418%0.17625%0.253CS..Hα-helixtrans-73.3-30.2179.5-87.4-10.2000113.3F390 Q391 L392 I396 K397 P398 G399 T400 V401 W403F390-D394 PolarHBondContact O-N 2.95Å; F390-D394 VanDerWaalsContact O-N 3.13Å; Q391-D394 PolarHBondContact O-N 2.76Å; L392-D394 PolarHBondContact O-N 2.96Å; D394-I396 VanDerWaalsContact C-N 3.33Å; D394-K397 CarbonylContact O-C 3.6Å; D394-K397 VanDerWaalsContact O-C 3.25Å; D394-P398 WeakPolarHBondContact O-CA 3.28Å; D394-P398 WeakPolarHBondContact O-CD 3.3Å; D394-P398 VanDerWaalsContact O-N 3.1Å; D394-G399 PolarHBondContact OD1-N 2.89Å; D394-G399 VanDerWaalsContact OD1-N 3.15Å; D394-T400 PolarHBondContact OD1-N 2.85Å; D394-V401 PolarHBondContact OD1-N 2.96Å; D394-V401 VanDerWaalsContact OD1-N 3.07Å; D394-W403 PolarHBondContact OD2-NE1 3.26Å
395I94Very high96.7Very high68 Ų6851.2 Ų51.235%0.34926%0.264SS..Hα-helixtrans-62.9-41.3170.2-72.3164.5000110.5V370 V372 Q391 L392 Y464V370-I395 HydrophobicContact CB-CD1 4.29Å; V370-I395 HydrophobicContact CB-CG2 4.35Å; V370-I395 HydrophobicContact CG2-CD1 3.92Å; V372-I395 HydrophobicContact CG1-CD1 4.21Å; Q391-I395 WeakPolarHBondContact O-CB 3.17Å; Q391-I395 VanDerWaalsContact O-CG1 3.23Å; Q391-I395 WeakPolarHBondContact O-CG1 3.43Å; Q391-I395 PolarHBondContact O-N 3.49Å; L392-I395 PolarHBondContact O-N 3.45Å; I395-Y464 HydrophobicContact CG2-CD2 4.2Å; I395-Y464 HydrophobicContact CG2-CE2 4.19Å
396I94.4Very high96.8Very high31 Ų3150.3 Ų50.316%0.15926%0.259CS..Hα-helixtrans-69.1-46.5178.1-67.8161.1000110.6L392 Y393 D394 L460 A463 A467L392-I396 WeakPolarHBondContact O-CD1 3.46Å; L392-I396 WeakPolarHBondContact O-CG1 3.26Å; L392-I396 PolarHBondContact O-N 3.34Å; Y393-I396 PolarHBondContact O-N 3.15Å; D394-I396 VanDerWaalsContact C-N 3.33Å; I396-L460 HydrophobicContact CD1-CB 4.26Å; I396-L460 HydrophobicContact CD1-CD2 3.83Å; I396-L460 WeakPolarHBondContact CD1-O 3.28Å; I396-A463 HydrophobicContact CD1-CB 4.21Å; I396-A463 HydrophobicContact CG2-CB 4.14Å; I396-A467 HydrophobicContact CG2-CB 4.27Å
397K93.7Very high96.6Very high138 Ų13852 Ų5260%0.627%0.27SS*.SBendtrans-149.5107.3179.5-179178.8-179.3178.30109.8Y393 D394 G399 T400Y393-K397 PolarHBondContact O-N 3.27Å; D394-K397 CarbonylContact O-C 3.6Å; D394-K397 VanDerWaalsContact O-C 3.25Å; K397-G399 PolarHBondContact O-N 3.06Å; K397-T400 WeakPolarHBondContact CB-OG1 3.34Å; K397-T400 WeakPolarHBondContact O-CB 3.36Å; K397-T400 PolarHBondContact O-N 3.2Å; K397-T400 PolarHBondContact O-OG1 3.2Å
398P94Very high96.4Very high112 Ų11254.7 Ų54.773%0.72729%0.287SS*.THydrogen-bonded Turntrans-55.7137.3179.7-28.635.6000112.8D394D394-P398 WeakPolarHBondContact O-CA 3.28Å; D394-P398 WeakPolarHBondContact O-CD 3.3Å; D394-P398 VanDerWaalsContact O-N 3.1Å
399G95.2Very high96Very high71 Ų7162 Ų6273%0.73232%0.319SS*.THydrogen-bonded Turntrans81.314.2-18000000114D394 K397 V401D394-G399 PolarHBondContact OD1-N 2.89Å; D394-G399 VanDerWaalsContact OD1-N 3.15Å; K397-G399 PolarHBondContact O-N 3.06Å; G399-V401 VanDerWaalsContact C-N 3.33Å
400T96.5Very high95.4Very high26 Ų2664.6 Ų64.616%0.1633%0.33CS..  trans-70.9-35172.4-64.40000110.7Y393 D394 K397 L429 V433Y393-T400 HydrophobicContact CD1-CG2 4.1Å; Y393-T400 HydrophobicContact CG-CG2 4.17Å; D394-T400 PolarHBondContact OD1-N 2.85Å; K397-T400 WeakPolarHBondContact CB-OG1 3.34Å; K397-T400 WeakPolarHBondContact O-CB 3.36Å; K397-T400 PolarHBondContact O-N 3.2Å; K397-T400 PolarHBondContact O-OG1 3.2Å; T400-L429 WeakPolarHBondContact O-CD2 3.38Å; T400-V433 HydrophobicContact CG2-CG1 4.03Å
401V97.9Very high94.8Very high10 Ų1068.4 Ų68.46%0.06135%0.354CS..SBendtrans-95.1127.8-178-1730000111.1F390 D394 G399 W403 V406 Y425 L429F390-V401 HydrophobicContact CB-CG1 4.05Å; F390-V401 HydrophobicContact CB-CG2 3.96Å; F390-V401 HydrophobicContact CD1-CG1 3.88Å; F390-V401 HydrophobicContact CD1-CG2 4.12Å; F390-V401 HydrophobicContact CG-CG1 4.04Å; F390-V401 HydrophobicContact CG-CG2 4.45Å; F390-V401 VanDerWaalsContact O-CG2 3.31Å; F390-V401 WeakPolarHBondContact O-CG2 3.4Å; D394-V401 PolarHBondContact OD1-N 2.96Å; D394-V401 VanDerWaalsContact OD1-N 3.07Å; G399-V401 VanDerWaalsContact C-N 3.33Å; V401-W403 HydrophobicContact CG1-CD2 4.09Å; V401-W403 HydrophobicContact CG1-CG 4.24Å; V401-W403 HydrophobicContact CG1-CZ2 4.45Å; V401-W403 PolarHBondContact O-N 3.08Å; V401-V406 HydrophobicContact CG1-CG2 3.71Å; V401-Y425 HydrophobicContact CG1-CE1 4.27Å; V401-L429 HydrophobicContact CB-CD1 4.38Å; V401-L429 HydrophobicContact CG1-CD1 4.37Å; V401-L429 HydrophobicContact CG2-CD1 3.91Å
402D97.6Very high93.9Very high72 Ų7276.7 Ų76.739%0.38539%0.389SS..  trans-8592163179.98.6000109.1K404 R405 Y425D402-K404 PolarHBondContact O-N 2.89Å; D402-K404 VanDerWaalsContact OD1-CB 3.32Å; D402-K404 WeakPolarHBondContact OD1-CB 3.42Å; D402-K404 PolarHBondContact OD1-N 3.46Å; D402-K404 VanDerWaalsContact OD1-N 3.15Å; D402-R405 HydrophobicContact CB-CG 4.43Å; D402-R405 WeakPolarHBondContact O-CB 3.37Å; D402-R405 PolarHBondContact O-N 3.27Å; D402-Y425 WeakPolarHBondContact CB-OH 3.28Å; D402-Y425 PolarHBondContact N-OH 3.29Å
403W97.3Very high92.6Very high106 Ų10685.3 Ų85.340%0.40243%0.431SS..G310 helixtrans-60.2-16.4-178.9-71.594.3000114.1F390 Q391 D394 V401 R405 V406F390-W403 HydrophobicContact CB-CH2 3.73Å; F390-W403 HydrophobicContact CB-CZ2 4.09Å; F390-W403 HydrophobicContact CB-CZ3 4.27Å; Q391-W403 HydrophobicContact CG-CH2 4.11Å; D394-W403 PolarHBondContact OD2-NE1 3.26Å; V401-W403 HydrophobicContact CG1-CD2 4.09Å; V401-W403 HydrophobicContact CG1-CG 4.24Å; V401-W403 HydrophobicContact CG1-CZ2 4.45Å; V401-W403 PolarHBondContact O-N 3.08Å; W403-R405 PolarHBondContact O-N 3.46Å; W403-V406 HydrophobicContact CE3-CB 3.98Å; W403-V406 HydrophobicContact CE3-CG1 3.94Å; W403-V406 HydrophobicContact CE3-CG2 4.08Å; W403-V406 HydrophobicContact CZ3-CB 4.49Å; W403-V406 HydrophobicContact CZ3-CG1 3.98Å; W403-V406 PolarHBondContact O-N 3.45Å
404K96.2Very high91.5Very high198 Ų19891 Ų9186%0.86146%0.458SS*.G310 helixtrans-68.8-22.4173.3-59.9177.7-178.7175.40112.4D402D402-K404 PolarHBondContact O-N 2.89Å; D402-K404 VanDerWaalsContact OD1-CB 3.32Å; D402-K404 WeakPolarHBondContact OD1-CB 3.42Å; D402-K404 PolarHBondContact OD1-N 3.46Å; D402-K404 VanDerWaalsContact OD1-N 3.15Å
405R96.3Very high91.1Very high102 Ų10291 Ų9139%0.38546%0.461SS..G310 helixtrans-87.8-11.9174.4-66-179.562-170.3-5.8113.2D402 W403 Y425 E428D402-R405 HydrophobicContact CB-CG 4.43Å; D402-R405 WeakPolarHBondContact O-CB 3.37Å; D402-R405 PolarHBondContact O-N 3.27Å; W403-R405 PolarHBondContact O-N 3.46Å; R405-Y425 HydrophobicContact CB-CD1 4.15Å; R405-Y425 HydrophobicContact CB-CE1 3.84Å; R405-Y425 VanDerWaalsContact CZ-CD2 3.48Å; R405-Y425 VanDerWaalsContact CZ-CE2 3.49Å; R405-E428 IonicContact CZ-OE1 3.81Å; R405-E428 IonicContact CZ-OE2 3.55Å; R405-E428 IonicContact NH1-OE1 2.91Å; R405-E428 PolarHBondContact NH1-OE1 3.45Å; R405-E428 IonicContact NH1-OE2 3.4Å; R405-E428 PolarHBondContact NH1-OE2 2.95Å; R405-E428 IonicContact NH2-OE1 3.76Å; R405-E428 IonicContact NH2-OE2 2.78Å; R405-E428 PolarHBondContact NH2-OE2 3.35Å
406V97Very high90.9Very high13 Ų1393 Ų938%0.07947%0.47CS..  trans-89.3125.6-172.7177.60000110.4L387 F390 V401 W403 T408 Y425L387-V406 HydrophobicContact CD2-CG1 3.58Å; F390-V406 HydrophobicContact CD1-CG2 4.45Å; F390-V406 HydrophobicContact CD2-CB 4.37Å; F390-V406 HydrophobicContact CD2-CG1 3.62Å; F390-V406 HydrophobicContact CD2-CG2 3.76Å; F390-V406 HydrophobicContact CE1-CG2 4.4Å; F390-V406 HydrophobicContact CE2-CB 4.27Å; F390-V406 HydrophobicContact CE2-CG1 3.65Å; F390-V406 HydrophobicContact CE2-CG2 3.73Å; F390-V406 HydrophobicContact CG-CG2 4.16Å; F390-V406 HydrophobicContact CZ-CG2 4.05Å; V401-V406 HydrophobicContact CG1-CG2 3.71Å; W403-V406 HydrophobicContact CE3-CB 3.98Å; W403-V406 HydrophobicContact CE3-CG1 3.94Å; W403-V406 HydrophobicContact CE3-CG2 4.08Å; W403-V406 HydrophobicContact CZ3-CB 4.49Å; W403-V406 HydrophobicContact CZ3-CG1 3.98Å; W403-V406 PolarHBondContact O-N 3.45Å; V406-T408 HydrophobicContact CG1-CG2 3.99Å; V406-T408 PolarHBondContact O-N 3.3Å; V406-Y425 HydrophobicContact CG2-CD1 4.16Å; V406-Y425 HydrophobicContact CG2-CE1 3.97Å
407V95Very high90.8Very high36 Ų3697.7 Ų97.722%0.21849%0.493CS..  trans-82.2112.5170.3-176.50000108.8K409 F410 N422V407-K409 WeakPolarHBondContact CG1-O 3.36Å; V407-F410 HydrophobicContact CB-CE1 4.2Å; V407-F410 HydrophobicContact CG1-CD1 4.08Å; V407-F410 HydrophobicContact CG1-CE1 3.98Å; V407-F410 VanDerWaalsContact O-CZ 3.25Å; V407-F410 WeakPolarHBondContact O-CZ 3.49Å; V407-N422 PolarHBondContact N-OD1 2.88Å; V407-N422 PolarHBondContact O-ND2 2.84Å
408T92.6Very high90.9Very high84 Ų8491.8 Ų91.852%0.51547%0.469SS..  trans-100-17.8-179.255.20000113.8L387 V406L387-T408 HydrophobicContact CD2-CG2 4.19Å; V406-T408 HydrophobicContact CG1-CG2 3.99Å; V406-T408 PolarHBondContact O-N 3.3Å
409K89.6Confident91Very high154 Ų15487.9 Ų87.967%0.6744%0.441SS*.SBendtrans-121.6117.2178.7-64.5-177.8-177.1174.40109.4V407V407-K409 WeakPolarHBondContact CG1-O 3.36Å
410F87.2Confident91.1Very high57 Ų5785.6 Ų85.625%0.2541%0.412CS..  trans-99.2121.5-178.5-54.8-78.9000110N385 L387 V407 Q419 N422N385-F410 HydrophobicContact CB-CE2 4.05Å; N385-F410 HydrophobicContact CB-CZ 3.88Å; L387-F410 HydrophobicContact CD1-CE2 3.83Å; L387-F410 HydrophobicContact CD1-CZ 4.3Å; L387-F410 HydrophobicContact CG-CE2 4.4Å; L387-F410 HydrophobicContact CG-CZ 4.41Å; V407-F410 HydrophobicContact CB-CE1 4.2Å; V407-F410 HydrophobicContact CG1-CD1 4.08Å; V407-F410 HydrophobicContact CG1-CE1 3.98Å; V407-F410 VanDerWaalsContact O-CZ 3.25Å; V407-F410 WeakPolarHBondContact O-CZ 3.49Å; F410-Q419 HydrophobicContact CD1-CG 3.64Å; F410-Q419 HydrophobicContact CE1-CB 4.35Å; F410-Q419 HydrophobicContact CE1-CG 3.45Å; F410-Q419 VanDerWaalsContact CE1-CG 3.45Å; F410-Q419 HydrophobicContact CE2-CG 4.5Å; F410-Q419 HydrophobicContact CG-CG 4.25Å; F410-Q419 HydrophobicContact CZ-CG 3.92Å; F410-N422 WeakPolarHBondContact CZ-ND2 3.49Å
411T84.8Confident91.1Very high80 Ų8089.5 Ų89.549%0.49143%0.428SS..  trans-86.5148.2171.264.40000109.4M413 Q414 S415T411-M413 PolarHBondContact O-N 3.26Å; T411-M413 VanDerWaalsContact O-N 3.11Å; T411-Q414 PolarHBondContact O-N 3.44Å; T411-Q414 VanDerWaalsContact O-N 3.15Å; T411-S415 WeakPolarHBondContact O-CA 3.33Å; T411-S415 WeakPolarHBondContact O-CB 3.49Å; T411-S415 PolarHBondContact O-N 2.84Å
412K79Confident91.1Very high216 Ų21689 Ų8994%0.93943%0.426SS*.THydrogen-bonded Turntrans-52.3-38.1-178.7-70.8-173.1176.5-175.20113.3
413M72.3Confident91.2Very high181 Ų18185.6 Ų85.689%0.89241%0.407SS*.THydrogen-bonded Turntrans-74.4-28.3-175.5-165.8-178.7-69.200113.6T411T411-M413 PolarHBondContact O-N 3.26Å; T411-M413 VanDerWaalsContact O-N 3.11Å
414Q75.2Confident91.2Very high122 Ų12284.2 Ų84.257%0.5741%0.407SS*.THydrogen-bonded Turntrans-117.61.2-174.8-67.7176.9-20.400113.7T411 M416 M417 S418T411-Q414 PolarHBondContact O-N 3.44Å; T411-Q414 VanDerWaalsContact O-N 3.15Å; Q414-M416 VanDerWaalsContact C-N 3.35Å; Q414-M416 PolarHBondContact O-N 3.22Å; Q414-M417 PolarHBondContact O-N 2.88Å; Q414-S418 PolarHBondContact O-N 2.92Å; Q414-S418 PolarHBondContact O-OG 2.89Å
415S86.7Confident91.4Very high33 Ų3375.3 Ų75.323%0.23137%0.369CS..Hα-helixtrans-50.8-50.7-170.5-1670000112.8T411 S418 Q419T411-S415 WeakPolarHBondContact O-CA 3.33Å; T411-S415 WeakPolarHBondContact O-CB 3.49Å; T411-S415 PolarHBondContact O-N 2.84Å; S415-S418 PolarHBondContact O-N 3.24Å; S415-Q419 WeakPolarHBondContact O-CB 3.33Å; S415-Q419 WeakPolarHBondContact O-CG 3.35Å; S415-Q419 PolarHBondContact O-N 3.37Å; S415-Q419 PolarHBondContact OG-NE2 3.21Å; S415-Q419 VanDerWaalsContact OG-NE2 3.08Å
416M90Very high91.5Very high111 Ų11170.5 Ų70.555%0.54735%0.35SS..Hα-helixtrans-60.1-52.6-178.3174.1173.484.500112.3Q414 S418 Q419 I420 Y446Q414-M416 VanDerWaalsContact C-N 3.35Å; Q414-M416 PolarHBondContact O-N 3.22Å; M416-S418 VanDerWaalsContact C-N 3.33Å; M416-S418 PolarHBondContact O-N 3.28Å; M416-Q419 PolarHBondContact O-N 2.82Å; M416-I420 HydrophobicContact CG-CD1 3.77Å; M416-I420 WeakPolarHBondContact O-CG1 3.46Å; M416-I420 PolarHBondContact O-N 3.02Å; M416-Y446 HydrophobicContact CG-CE1 4.16Å; M416-Y446 HydrophobicContact CG-CE2 4.29Å; M416-Y446 VanDerWaalsContact CG-OH 3.26Å; M416-Y446 WeakPolarHBondContact CG-OH 3.22Å
417M93Very high91.5Very high129 Ų12970.1 Ų70.164%0.63535%0.348SS*.Hα-helixtrans-63.3-41.7-177.1-174.763.37800111.3Q414 I420 Q421Q414-M417 PolarHBondContact O-N 2.88Å; M417-I420 PolarHBondContact O-N 2.65Å; M417-Q421 WeakPolarHBondContact O-CB 3.38Å; M417-Q421 PolarHBondContact O-N 2.81Å
418S95.3Very high91.7Very high15 Ų1571.4 Ų71.411%0.10535%0.352CS..Hα-helixtrans-66-38.3178.2-64.60000113Q414 S415 M416 Q421 N422Q414-S418 PolarHBondContact O-N 2.92Å; Q414-S418 PolarHBondContact O-OG 2.89Å; S415-S418 PolarHBondContact O-N 3.24Å; M416-S418 VanDerWaalsContact C-N 3.33Å; M416-S418 PolarHBondContact O-N 3.28Å; S418-Q421 PolarHBondContact O-N 3.37Å; S418-N422 PolarHBondContact O-N 3.05Å
419Q96.1Very high92Very high30 Ų3067.7 Ų67.714%0.1433%0.329CS..Hα-helixtrans-67.2-44.6175.8-72178.512.200111.5N385 F410 S415 M416 Q421 N422 C423 Y446N385-Q419 HydrophobicContact CB-CB 4.36Å; N385-Q419 HydrophobicContact CB-CG 3.71Å; F410-Q419 HydrophobicContact CD1-CG 3.64Å; F410-Q419 HydrophobicContact CE1-CB 4.35Å; F410-Q419 HydrophobicContact CE1-CG 3.45Å; F410-Q419 VanDerWaalsContact CE1-CG 3.45Å; F410-Q419 HydrophobicContact CE2-CG 4.5Å; F410-Q419 HydrophobicContact CG-CG 4.25Å; F410-Q419 HydrophobicContact CZ-CG 3.92Å; S415-Q419 WeakPolarHBondContact O-CB 3.33Å; S415-Q419 WeakPolarHBondContact O-CG 3.35Å; S415-Q419 PolarHBondContact O-N 3.37Å; S415-Q419 PolarHBondContact OG-NE2 3.21Å; S415-Q419 VanDerWaalsContact OG-NE2 3.08Å; M416-Q419 PolarHBondContact O-N 2.82Å; Q419-Q421 VanDerWaalsContact C-N 3.3Å; Q419-Q421 PolarHBondContact O-N 3.01Å; Q419-N422 WeakPolarHBondContact O-CB 3.44Å; Q419-N422 PolarHBondContact O-N 3.41Å; Q419-C423 PolarHBondContact O-N 3.46Å; Q419-C423 PolarHBondContact O-SG 3.14Å; Q419-Y446 HydrophobicContact CB-CD2 3.76Å; Q419-Y446 HydrophobicContact CB-CE2 3.9Å
420I97Very high92.4Very high23 Ų2360.4 Ų60.412%0.11830%0.297CS..Hα-helixtrans-60.8-40.5174.5-66.7166.5000110.8M416 M417 C423 N424 K443 Y446M416-I420 HydrophobicContact CG-CD1 3.77Å; M416-I420 WeakPolarHBondContact O-CG1 3.46Å; M416-I420 PolarHBondContact O-N 3.02Å; M417-I420 PolarHBondContact O-N 2.65Å; I420-C423 PolarHBondContact O-N 3.05Å; I420-N424 WeakPolarHBondContact O-CB 3.43Å; I420-N424 PolarHBondContact O-N 3.31Å; I420-N424 PolarHBondContact O-ND2 3.03Å; I420-K443 HydrophobicContact CD1-CD 3.85Å; I420-K443 HydrophobicContact CG1-CD 4.18Å; I420-Y446 HydrophobicContact CD1-CD1 3.89Å; I420-Y446 HydrophobicContact CD1-CE1 4.02Å; I420-Y446 HydrophobicContact CD1-CG 4.19Å; I420-Y446 HydrophobicContact CG1-CD1 3.61Å; I420-Y446 HydrophobicContact CG1-CD2 3.71Å; I420-Y446 HydrophobicContact CG1-CE1 4.11Å; I420-Y446 HydrophobicContact CG1-CE2 4.18Å; I420-Y446 HydrophobicContact CG1-CG 3.39Å
421Q97.4Very high92.8Very high108 Ų10863.2 Ų63.251%0.50531%0.309SS..Hα-helixtrans-60.6-45.1175.8-178-179.3-2.200111.9M417 S418 Q419 N424 Y425M417-Q421 WeakPolarHBondContact O-CB 3.38Å; M417-Q421 PolarHBondContact O-N 2.81Å; S418-Q421 PolarHBondContact O-N 3.37Å; Q419-Q421 VanDerWaalsContact C-N 3.3Å; Q419-Q421 PolarHBondContact O-N 3.01Å; Q421-N424 PolarHBondContact O-N 3.4Å; Q421-Y425 PolarHBondContact O-N 3.44Å
422N98.4Very high93.3Very high0 Ų065.5 Ų65.50%031%0.312CS..Hα-helixtrans-59.2-49173.2-80.8-0.3000111.3N385 F390 V407 F410 S418 Q419 N424 Y425 A426N385-N422 WeakPolarHBondContact O-CB 3.49Å; N385-N422 PolarHBondContact O-ND2 3.08Å; F390-N422 HydrophobicContact CE2-CB 3.83Å; F390-N422 HydrophobicContact CZ-CB 4.13Å; F390-N422 WeakPolarHBondContact CZ-O 3.38Å; V407-N422 PolarHBondContact N-OD1 2.88Å; V407-N422 PolarHBondContact O-ND2 2.84Å; F410-N422 WeakPolarHBondContact CZ-ND2 3.49Å; S418-N422 PolarHBondContact O-N 3.05Å; Q419-N422 WeakPolarHBondContact O-CB 3.44Å; Q419-N422 PolarHBondContact O-N 3.41Å; N422-N424 VanDerWaalsContact C-N 3.31Å; N422-N424 PolarHBondContact O-N 3.48Å; N422-Y425 CarbonylContact O-C 3.59Å; N422-Y425 WeakPolarHBondContact O-CA 3.38Å; N422-Y425 WeakPolarHBondContact O-CB 3.45Å; N422-Y425 PolarHBondContact O-N 2.71Å; N422-A426 PolarHBondContact O-N 3.38Å
423C98.6Very high94.1Very high0 Ų058 Ų580%028%0.284CS..Hα-helixtrans-62.7-37.4179.8-70.20000112.6C384 Q419 I420 Y425 A426 V427 G442 I445C384-C423 PolarHBondContact O-SG 2.97Å; Q419-C423 PolarHBondContact O-N 3.46Å; Q419-C423 PolarHBondContact O-SG 3.14Å; I420-C423 PolarHBondContact O-N 3.05Å; C423-Y425 VanDerWaalsContact C-N 3.31Å; C423-Y425 PolarHBondContact O-N 3.13Å; C423-A426 PolarHBondContact O-N 2.78Å; C423-V427 WeakPolarHBondContact O-CG2 3.41Å; C423-V427 PolarHBondContact O-N 2.65Å; C423-G442 VanDerWaalsContact C-CA 3.48Å; C423-G442 WeakPolarHBondContact CB-O 3.25Å; C423-I445 HydrophobicContact CB-CB 4.19Å; C423-I445 HydrophobicContact CB-CG2 4.49Å
424N98.5Very high95.1Very high76 Ų7660.6 Ų60.641%0.40628%0.284SS..Hα-helixtrans-61.7-42.1172.5-77.9-29.8000111.3I420 Q421 N422 V427 E428 G442I420-N424 WeakPolarHBondContact O-CB 3.43Å; I420-N424 PolarHBondContact O-N 3.31Å; I420-N424 PolarHBondContact O-ND2 3.03Å; Q421-N424 PolarHBondContact O-N 3.4Å; N422-N424 VanDerWaalsContact C-N 3.31Å; N422-N424 PolarHBondContact O-N 3.48Å; N424-V427 PolarHBondContact O-N 2.86Å; N424-E428 PolarHBondContact O-N 2.76Å; N424-G442 WeakPolarHBondContact OD1-CA 3.23Å; N424-G442 PolarHBondContact OD1-N 3.3Å; N424-G442 VanDerWaalsContact OD1-N 3.07Å
425Y98.6Very high96.1Very high12 Ų1256.1 Ų56.15%0.04726%0.263CS..Hα-helixtrans-67-38.3176.2-179.5-140.6000112.2F390 V401 D402 R405 V406 Q421 N422 C423 V427 E428 L429F390-Y425 AromaticContact CE1-CD1 3.55Å; F390-Y425 HydrophobicContact CE1-CD1 3.55Å; F390-Y425 HydrophobicContact CE1-CE1 4.04Å; F390-Y425 HydrophobicContact CE1-CG 4.12Å; F390-Y425 AromaticContact CZ-CD1 3.58Å; F390-Y425 HydrophobicContact CZ-CD1 3.58Å; F390-Y425 HydrophobicContact CZ-CE1 4.38Å; F390-Y425 HydrophobicContact CZ-CG 4.21Å; V401-Y425 HydrophobicContact CG1-CE1 4.27Å; D402-Y425 WeakPolarHBondContact CB-OH 3.28Å; D402-Y425 PolarHBondContact N-OH 3.29Å; R405-Y425 HydrophobicContact CB-CD1 4.15Å; R405-Y425 HydrophobicContact CB-CE1 3.84Å; R405-Y425 VanDerWaalsContact CZ-CD2 3.48Å; R405-Y425 VanDerWaalsContact CZ-CE2 3.49Å; V406-Y425 HydrophobicContact CG2-CD1 4.16Å; V406-Y425 HydrophobicContact CG2-CE1 3.97Å; Q421-Y425 PolarHBondContact O-N 3.44Å; N422-Y425 CarbonylContact O-C 3.59Å; N422-Y425 WeakPolarHBondContact O-CA 3.38Å; N422-Y425 WeakPolarHBondContact O-CB 3.45Å; N422-Y425 PolarHBondContact O-N 2.71Å; C423-Y425 VanDerWaalsContact C-N 3.31Å; C423-Y425 PolarHBondContact O-N 3.13Å; Y425-V427 VanDerWaalsContact C-N 3.34Å; Y425-V427 PolarHBondContact O-N 2.95Å; Y425-E428 HydrophobicContact CD2-CB 4.34Å; Y425-E428 WeakPolarHBondContact O-CB 3.18Å; Y425-E428 PolarHBondContact O-N 3.17Å; Y425-L429 HydrophobicContact CD2-CG 4.11Å; Y425-L429 HydrophobicContact CE1-CD1 4.12Å; Y425-L429 HydrophobicContact CE2-CD1 4.06Å; Y425-L429 HydrophobicContact CE2-CD2 3.66Å; Y425-L429 HydrophobicContact CE2-CG 3.62Å; Y425-L429 WeakPolarHBondContact O-CG 3.5Å; Y425-L429 PolarHBondContact O-N 2.98Å
426A98.6Very high96.6Very high0 Ų058.7 Ų58.70%028%0.281CS..Hα-helixtrans-59.5-43.7173.700000111.8I389 F390 Y393 N422 C423 L429 G430I389-A426 HydrophobicContact CB-CB 4.35Å; I389-A426 HydrophobicContact CG2-CB 3.84Å; F390-A426 HydrophobicContact CD1-CB 4.47Å; F390-A426 HydrophobicContact CE1-CB 3.86Å; F390-A426 HydrophobicContact CZ-CB 4.24Å; Y393-A426 WeakPolarHBondContact CE2-O 3.35Å; Y393-A426 PolarHBondContact OH-O 3.31Å; N422-A426 PolarHBondContact O-N 3.38Å; C423-A426 PolarHBondContact O-N 2.78Å; A426-L429 PolarHBondContact O-N 3.21Å; A426-G430 PolarHBondContact O-N 2.89Å
427V98.6Very high96.8Very high5 Ų553.6 Ų53.63%0.0326%0.256CS..Hα-helixtrans-65.5-38.7174.61720000112C423 N424 Y425 G430 K431 L437 I440 I445C423-V427 WeakPolarHBondContact O-CG2 3.41Å; C423-V427 PolarHBondContact O-N 2.65Å; N424-V427 PolarHBondContact O-N 2.86Å; Y425-V427 VanDerWaalsContact C-N 3.34Å; Y425-V427 PolarHBondContact O-N 2.95Å; V427-G430 PolarHBondContact O-N 3.37Å; V427-K431 HydrophobicContact CG1-CD 4.45Å; V427-K431 WeakPolarHBondContact O-CG 3.16Å; V427-K431 PolarHBondContact O-N 2.97Å; V427-L437 HydrophobicContact CG1-CD1 4.18Å; V427-I440 WeakPolarHBondContact CG1-O 3.12Å; V427-I440 HydrophobicContact CG2-CG2 4.29Å; V427-I445 HydrophobicContact CG2-CG1 4.41Å
428E98.3Very high96.8Very high64 Ų6453.8 Ų53.830%0.29926%0.264SS..Hα-helixtrans-58.7-46.1173.3-175.5-161.4133.700111.3R405 N424 Y425 K431 K432R405-E428 IonicContact CZ-OE1 3.81Å; R405-E428 IonicContact CZ-OE2 3.55Å; R405-E428 IonicContact NH1-OE1 2.91Å; R405-E428 PolarHBondContact NH1-OE1 3.45Å; R405-E428 IonicContact NH1-OE2 3.4Å; R405-E428 PolarHBondContact NH1-OE2 2.95Å; R405-E428 IonicContact NH2-OE1 3.76Å; R405-E428 IonicContact NH2-OE2 2.78Å; R405-E428 PolarHBondContact NH2-OE2 3.35Å; N424-E428 PolarHBondContact O-N 2.76Å; Y425-E428 HydrophobicContact CD2-CB 4.34Å; Y425-E428 WeakPolarHBondContact O-CB 3.18Å; Y425-E428 PolarHBondContact O-N 3.17Å; E428-K431 PolarHBondContact O-N 3.12Å; E428-K432 WeakPolarHBondContact O-CG 3.45Å; E428-K432 PolarHBondContact O-N 2.83Å; E428-K432 WeakPolarHBondContact OE1-CE 3.42Å; E428-K432 IonicContact OE1-NZ 2.67Å; E428-K432 PolarHBondContact OE1-NZ 3.36Å
429L98.3Very high96.8Very high6 Ų656 Ų563%0.03129%0.289CS..Hα-helixtrans-61.6-45175.9-70.8179000111.5F390 Y393 T400 V401 Y425 A426 K431 K432 V433F390-L429 HydrophobicContact CD1-CD1 3.88Å; F390-L429 HydrophobicContact CE1-CD1 3.93Å; Y393-L429 HydrophobicContact CD2-CB 4.2Å; Y393-L429 HydrophobicContact CD2-CD1 4.11Å; Y393-L429 HydrophobicContact CE2-CB 3.91Å; Y393-L429 HydrophobicContact CE2-CD1 4.49Å; T400-L429 WeakPolarHBondContact O-CD2 3.38Å; V401-L429 HydrophobicContact CB-CD1 4.38Å; V401-L429 HydrophobicContact CG1-CD1 4.37Å; V401-L429 HydrophobicContact CG2-CD1 3.91Å; Y425-L429 HydrophobicContact CD2-CG 4.11Å; Y425-L429 HydrophobicContact CE1-CD1 4.12Å; Y425-L429 HydrophobicContact CE2-CD1 4.06Å; Y425-L429 HydrophobicContact CE2-CD2 3.66Å; Y425-L429 HydrophobicContact CE2-CG 3.62Å; Y425-L429 WeakPolarHBondContact O-CG 3.5Å; Y425-L429 PolarHBondContact O-N 2.98Å; A426-L429 PolarHBondContact O-N 3.21Å; L429-K431 VanDerWaalsContact C-N 3.31Å; L429-K431 PolarHBondContact O-N 3.25Å; L429-K432 HydrophobicContact CD2-CD 4.39Å; L429-K432 WeakPolarHBondContact O-CA 3.26Å; L429-K432 WeakPolarHBondContact O-CB 3.34Å; L429-K432 PolarHBondContact O-N 3.03Å; L429-V433 WeakPolarHBondContact O-CG2 3.3Å; L429-V433 PolarHBondContact O-N 2.72Å
430G97.8Very high96.9Very high0 Ų054.9 Ų54.90%028%0.284CS..Hα-helixtrans-54.4-45.7174.900000113Y393 A426 V427 K432 V433 R434 F435Y393-G430 WeakPolarHBondContact OH-CA 3.43Å; Y393-G430 PolarHBondContact OH-N 3.09Å; Y393-G430 VanDerWaalsContact OH-N 3.15Å; A426-G430 PolarHBondContact O-N 2.89Å; V427-G430 PolarHBondContact O-N 3.37Å; G430-K432 PolarHBondContact O-N 3.09Å; G430-V433 CarbonylContact O-C 3.33Å; G430-V433 WeakPolarHBondContact O-CG2 3.38Å; G430-V433 PolarHBondContact O-N 3.33Å; G430-R434 PolarHBondContact O-N 3.23Å; G430-F435 VanDerWaalsContact O-CB 3.31Å; G430-F435 WeakPolarHBondContact O-CB 3.4Å; G430-F435 PolarHBondContact O-N 2.97Å
431K97.2Very high96.9Very high117 Ų11759.7 Ų59.751%0.50931%0.306SS..Hα-helixtrans-63.2-40.5175.1-69.2173.3-176.7173.80111.9V427 E428 L429 V433 R434 L437V427-K431 HydrophobicContact CG1-CD 4.45Å; V427-K431 WeakPolarHBondContact O-CG 3.16Å; V427-K431 PolarHBondContact O-N 2.97Å; E428-K431 PolarHBondContact O-N 3.12Å; L429-K431 VanDerWaalsContact C-N 3.31Å; L429-K431 PolarHBondContact O-N 3.25Å; K431-V433 VanDerWaalsContact C-N 3.33Å; K431-V433 PolarHBondContact O-N 3.1Å; K431-R434 PolarHBondContact O-N 3.4Å; K431-L437 HydrophobicContact CG-CB 4.29Å; K431-L437 HydrophobicContact CG-CD1 4.33Å
432K95.6Very high96.9Very high128 Ų12854.6 Ų54.656%0.55728%0.282SS*.Hα-helixtrans-62.5-37.2176-75.1173.4170.5173.70112.7E428 L429 G430 R434E428-K432 WeakPolarHBondContact O-CG 3.45Å; E428-K432 PolarHBondContact O-N 2.83Å; E428-K432 WeakPolarHBondContact OE1-CE 3.42Å; E428-K432 IonicContact OE1-NZ 2.67Å; E428-K432 PolarHBondContact OE1-NZ 3.36Å; L429-K432 HydrophobicContact CD2-CD 4.39Å; L429-K432 WeakPolarHBondContact O-CA 3.26Å; L429-K432 WeakPolarHBondContact O-CB 3.34Å; L429-K432 PolarHBondContact O-N 3.03Å; G430-K432 PolarHBondContact O-N 3.09Å; K432-R434 PolarHBondContact O-N 3.32Å
433V94Very high96.9Very high58 Ų5858.4 Ų58.435%0.35230%0.299SS..THydrogen-bonded Turntrans-86.417.3173.8-56.10000113.2Y393 T400 L429 G430 K431 F435Y393-V433 HydrophobicContact CD1-CG2 4.44Å; Y393-V433 HydrophobicContact CE1-CG2 3.82Å; T400-V433 HydrophobicContact CG2-CG1 4.03Å; L429-V433 WeakPolarHBondContact O-CG2 3.3Å; L429-V433 PolarHBondContact O-N 2.72Å; G430-V433 CarbonylContact O-C 3.33Å; G430-V433 WeakPolarHBondContact O-CG2 3.38Å; G430-V433 PolarHBondContact O-N 3.33Å; K431-V433 VanDerWaalsContact C-N 3.33Å; K431-V433 PolarHBondContact O-N 3.1Å; V433-F435 VanDerWaalsContact C-N 3.34Å; V433-F435 HydrophobicContact CG2-CD1 3.85Å; V433-F435 HydrophobicContact CG2-CD2 4.27Å; V433-F435 HydrophobicContact CG2-CE1 3.75Å; V433-F435 HydrophobicContact CG2-CE2 4.18Å; V433-F435 HydrophobicContact CG2-CG 4.11Å; V433-F435 HydrophobicContact CG2-CZ 3.93Å; V433-F435 PolarHBondContact O-N 3.36Å
434R93.9Very high96.8Very high235 Ų23560.1 Ų60.189%0.88731%0.308SS*.THydrogen-bonded Turntrans6428.2173.8-53.3-176.9177.1-177.4-1115.2G430 K431 K432G430-R434 PolarHBondContact O-N 3.23Å; K431-R434 PolarHBondContact O-N 3.4Å; K432-R434 PolarHBondContact O-N 3.32Å
435F97Very high96.8Very high28 Ų2856.5 Ų56.512%0.12329%0.288CS..  trans-67.2141.8166.1-67.2-2.7000110.3Y393 G430 V433 L437 L456 Q459 L460 A463Y393-F435 HydrophobicContact CE1-CD2 4.44Å; Y393-F435 AromaticContact CE1-CE2 3.77Å; Y393-F435 HydrophobicContact CE1-CE2 3.77Å; Y393-F435 HydrophobicContact CE1-CZ 4.24Å; G430-F435 VanDerWaalsContact O-CB 3.31Å; G430-F435 WeakPolarHBondContact O-CB 3.4Å; G430-F435 PolarHBondContact O-N 2.97Å; V433-F435 VanDerWaalsContact C-N 3.34Å; V433-F435 HydrophobicContact CG2-CD1 3.85Å; V433-F435 HydrophobicContact CG2-CD2 4.27Å; V433-F435 HydrophobicContact CG2-CE1 3.75Å; V433-F435 HydrophobicContact CG2-CE2 4.18Å; V433-F435 HydrophobicContact CG2-CG 4.11Å; V433-F435 HydrophobicContact CG2-CZ 3.93Å; V433-F435 PolarHBondContact O-N 3.36Å; F435-L437 HydrophobicContact CB-CD1 4.12Å; F435-L437 HydrophobicContact CB-CD2 4.14Å; F435-L437 HydrophobicContact CB-CG 3.79Å; F435-L437 PolarHBondContact O-N 3.24Å; F435-L437 VanDerWaalsContact O-N 3.13Å; F435-L456 HydrophobicContact CD2-CD1 4Å; F435-L456 HydrophobicContact CE2-CD1 4.37Å; F435-Q459 HydrophobicContact CB-CB 4.44Å; F435-Q459 HydrophobicContact CD1-CB 4.16Å; F435-Q459 HydrophobicContact CD2-CB 3.78Å; F435-Q459 HydrophobicContact CE1-CB 4.36Å; F435-Q459 HydrophobicContact CE2-CB 3.99Å; F435-Q459 HydrophobicContact CG-CB 3.88Å; F435-Q459 HydrophobicContact CZ-CB 4.27Å; F435-Q459 WeakPolarHBondContact CZ-O 3.25Å; F435-L460 HydrophobicContact CE2-CD2 3.67Å; F435-L460 HydrophobicContact CE2-CG 3.85Å; F435-L460 HydrophobicContact CZ-CD2 4.09Å; F435-L460 HydrophobicContact CZ-CG 4.45Å; F435-A463 HydrophobicContact CE1-CB 3.76Å; F435-A463 HydrophobicContact CZ-CB 3.76Å
436S96.1Very high96.8Very high87 Ų8758.5 Ų58.561%0.60830%0.296SS*.  trans-79.292.3170.8-170.60000108.9Q459S436-Q459 PolarHBondContact O-NE2 3.24Å
437L95.7Very high96.6Very high5 Ų562.9 Ų62.93%0.02632%0.32CS..  trans-113.338.9-179.1-58.8-180000111.3V427 K431 F435 G439 I440 L456V427-L437 HydrophobicContact CG1-CD1 4.18Å; K431-L437 HydrophobicContact CG-CB 4.29Å; K431-L437 HydrophobicContact CG-CD1 4.33Å; F435-L437 HydrophobicContact CB-CD1 4.12Å; F435-L437 HydrophobicContact CB-CD2 4.14Å; F435-L437 HydrophobicContact CB-CG 3.79Å; F435-L437 PolarHBondContact O-N 3.24Å; F435-L437 VanDerWaalsContact O-N 3.13Å; L437-G439 PolarHBondContact O-N 3.31Å; L437-I440 HydrophobicContact CB-CB 4.28Å; L437-I440 HydrophobicContact CD2-CD1 3.85Å; L437-I440 PolarHBondContact O-N 3Å; L437-L456 HydrophobicContact CD1-CD1 4.15Å; L437-L456 HydrophobicContact CD2-CB 4.43Å; L437-L456 HydrophobicContact CD2-CD1 3.85Å
438V92.8Very high96.5Very high133 Ų13363.4 Ų63.481%0.80633%0.326SS*.THydrogen-bonded Turntrans-64.6125.5177.7-178.10000108.8I440V438-I440 PolarHBondContact O-N 3.45Å
439G94.8Very high96.4Very high60 Ų6063.3 Ų63.362%0.61933%0.328SS*.THydrogen-bonded Turntrans78.7-6.9-178.500000115.6L437L437-G439 PolarHBondContact O-N 3.31Å
440I97.5Very high96.2Very high8 Ų866.1 Ų66.14%0.04134%0.339CS..  trans-91.9127.6178.8-56176.6000110V427 L437 V438 I445 L452 A455V427-I440 WeakPolarHBondContact CG1-O 3.12Å; V427-I440 HydrophobicContact CG2-CG2 4.29Å; L437-I440 HydrophobicContact CB-CB 4.28Å; L437-I440 HydrophobicContact CD2-CD1 3.85Å; L437-I440 PolarHBondContact O-N 3Å; V438-I440 PolarHBondContact O-N 3.45Å; I440-I445 HydrophobicContact CG2-CD1 4.35Å; I440-L452 HydrophobicContact CG1-CB 4.23Å; I440-L452 HydrophobicContact CG1-CD2 4.02Å; I440-L452 HydrophobicContact CG2-CB 4.48Å; I440-A455 HydrophobicContact CD1-CB 3.97Å
441Q96.9Very high96.2Very high124 Ų12471.2 Ų71.258%0.57937%0.371SS*.  trans-120.9162.8177.1-54.7-175.339.100110.8K443 D444Q441-K443 PolarHBondContact O-N 2.97Å; Q441-D444 WeakPolarHBondContact CA-OD2 3.18Å; Q441-D444 WeakPolarHBondContact CB-OD2 3.28Å; Q441-D444 PolarHBondContact N-OD2 2.82Å; Q441-D444 WeakPolarHBondContact O-CB 3.21Å; Q441-D444 PolarHBondContact O-N 3.27Å; Q441-D444 VanDerWaalsContact O-N 3.17Å
442G97.7Very high96.2Very high0 Ų067.8 Ų67.80%036%0.358CS..Hα-helixtrans-64.4-26.9177.500000113.1C423 N424 D444 I445 Y446C423-G442 VanDerWaalsContact C-CA 3.48Å; C423-G442 WeakPolarHBondContact CB-O 3.25Å; N424-G442 WeakPolarHBondContact OD1-CA 3.23Å; N424-G442 PolarHBondContact OD1-N 3.3Å; N424-G442 VanDerWaalsContact OD1-N 3.07Å; G442-D444 VanDerWaalsContact C-N 3.31Å; G442-D444 PolarHBondContact O-N 3.3Å; G442-I445 PolarHBondContact O-N 3.09Å; G442-Y446 PolarHBondContact O-N 2.96Å
443K97.8Very high96.3Very high81 Ų8161.7 Ų61.735%0.35233%0.331SS..Hα-helixtrans-63.4-36.2174.9-171.457.5163.272.90112.2I420 Q441 I445 Y446 D447I420-K443 HydrophobicContact CD1-CD 3.85Å; I420-K443 HydrophobicContact CG1-CD 4.18Å; Q441-K443 PolarHBondContact O-N 2.97Å; K443-I445 VanDerWaalsContact C-N 3.33Å; K443-I445 PolarHBondContact O-N 3.21Å; K443-Y446 HydrophobicContact CD-CD1 3.95Å; K443-Y446 PolarHBondContact O-N 2.82Å; K443-D447 IonicContact NZ-OD1 2.61Å; K443-D447 PolarHBondContact NZ-OD1 3.31Å; K443-D447 IonicContact NZ-OD2 3.52Å; K443-D447 PolarHBondContact NZ-OD2 2.79Å; K443-D447 WeakPolarHBondContact O-CB 3.48Å; K443-D447 VanDerWaalsContact O-CG 3.27Å; K443-D447 PolarHBondContact O-N 3.03Å
444D98Very high96.4Very high35 Ų3560 Ų6019%0.18732%0.32CS..Hα-helixtrans-63.9-39.9178.2-56.5-56.2000111.8Q441 G442 G448 N449 L452Q441-D444 WeakPolarHBondContact CA-OD2 3.18Å; Q441-D444 WeakPolarHBondContact CB-OD2 3.28Å; Q441-D444 PolarHBondContact N-OD2 2.82Å; Q441-D444 WeakPolarHBondContact O-CB 3.21Å; Q441-D444 PolarHBondContact O-N 3.27Å; Q441-D444 VanDerWaalsContact O-N 3.17Å; G442-D444 VanDerWaalsContact C-N 3.31Å; G442-D444 PolarHBondContact O-N 3.3Å; D444-G448 PolarHBondContact O-N 3.22Å; D444-N449 HydrophobicContact CB-CB 4.18Å; D444-N449 VanDerWaalsContact O-CB 3.3Å; D444-N449 WeakPolarHBondContact O-CB 3.42Å; D444-N449 PolarHBondContact O-N 2.71Å; D444-L452 HydrophobicContact CB-CB 4.16Å; D444-L452 HydrophobicContact CB-CD1 3.69Å
445I98.1Very high96.6Very high1 Ų150.4 Ų50.41%0.00529%0.291CS..Hα-helixtrans-70.2-43.4176.6-52.3-56000110.7I389 C423 V427 I440 G442 K443 D447 G448 L456I389-I445 HydrophobicContact CD1-CG2 3.73Å; C423-I445 HydrophobicContact CB-CB 4.19Å; C423-I445 HydrophobicContact CB-CG2 4.49Å; V427-I445 HydrophobicContact CG2-CG1 4.41Å; I440-I445 HydrophobicContact CG2-CD1 4.35Å; G442-I445 PolarHBondContact O-N 3.09Å; K443-I445 VanDerWaalsContact C-N 3.33Å; K443-I445 PolarHBondContact O-N 3.21Å; I445-D447 VanDerWaalsContact C-N 3.33Å; I445-D447 PolarHBondContact O-N 2.78Å; I445-G448 PolarHBondContact O-N 3Å; I445-G448 VanDerWaalsContact O-N 3.11Å; I445-L456 HydrophobicContact CD1-CB 4.48Å; I445-L456 HydrophobicContact CD1-CD2 3.93Å; I445-L456 HydrophobicContact CG1-CD2 4.25Å
446Y97.5Very high96.7Very high53 Ų5349.2 Ų49.221%0.20829%0.286CS..Hα-helixtrans-61-40.7176169.8-94.3000112.5C384 M416 Q419 I420 G442 K443 G448C384-Y446 WeakPolarHBondContact CB-O 3.41Å; M416-Y446 HydrophobicContact CG-CE1 4.16Å; M416-Y446 HydrophobicContact CG-CE2 4.29Å; M416-Y446 VanDerWaalsContact CG-OH 3.26Å; M416-Y446 WeakPolarHBondContact CG-OH 3.22Å; Q419-Y446 HydrophobicContact CB-CD2 3.76Å; Q419-Y446 HydrophobicContact CB-CE2 3.9Å; I420-Y446 HydrophobicContact CD1-CD1 3.89Å; I420-Y446 HydrophobicContact CD1-CE1 4.02Å; I420-Y446 HydrophobicContact CD1-CG 4.19Å; I420-Y446 HydrophobicContact CG1-CD1 3.61Å; I420-Y446 HydrophobicContact CG1-CD2 3.71Å; I420-Y446 HydrophobicContact CG1-CE1 4.11Å; I420-Y446 HydrophobicContact CG1-CE2 4.18Å; I420-Y446 HydrophobicContact CG1-CG 3.39Å; G442-Y446 PolarHBondContact O-N 2.96Å; K443-Y446 HydrophobicContact CD-CD1 3.95Å; K443-Y446 PolarHBondContact O-N 2.82Å; Y446-G448 PolarHBondContact O-N 2.86Å
447D96.1Very high96.7Very high93 Ų9345.1 Ų45.150%0.49726%0.258SS..THydrogen-bonded Turntrans-74.7-5.6177.3-70.6-20.6000113.2K443 I445 N449K443-D447 IonicContact NZ-OD1 2.61Å; K443-D447 PolarHBondContact NZ-OD1 3.31Å; K443-D447 IonicContact NZ-OD2 3.52Å; K443-D447 PolarHBondContact NZ-OD2 2.79Å; K443-D447 WeakPolarHBondContact O-CB 3.48Å; K443-D447 VanDerWaalsContact O-CG 3.27Å; K443-D447 PolarHBondContact O-N 3.03Å; I445-D447 VanDerWaalsContact C-N 3.33Å; I445-D447 PolarHBondContact O-N 2.78Å; D447-N449 VanDerWaalsContact C-N 3.33Å; D447-N449 PolarHBondContact O-N 3.1Å
448G94.7Very high96.8Very high15 Ų1546 Ų4616%0.15526%0.261CS..THydrogen-bonded Turntrans67.731.6-177.300000112.9D444 I445 Y446 K450D444-G448 PolarHBondContact O-N 3.22Å; I445-G448 PolarHBondContact O-N 3Å; I445-G448 VanDerWaalsContact O-N 3.11Å; Y446-G448 PolarHBondContact O-N 2.86Å; G448-K450 PolarHBondContact O-N 3.16Å
449N96.5Very high97Very high63 Ų6341.3 Ų41.334%0.33723%0.23SC..  trans-58.8114.4176-178.7-59.6000109.5D444 D447 T451 L452 T453D444-N449 HydrophobicContact CB-CB 4.18Å; D444-N449 VanDerWaalsContact O-CB 3.3Å; D444-N449 WeakPolarHBondContact O-CB 3.42Å; D444-N449 PolarHBondContact O-N 2.71Å; D447-N449 VanDerWaalsContact C-N 3.33Å; D447-N449 PolarHBondContact O-N 3.1Å; N449-T451 PolarHBondContact O-N 2.67Å; N449-T451 PolarHBondContact OD1-N 2.68Å; N449-L452 HydrophobicContact CB-CB 4.39Å; N449-L452 PolarHBondContact O-N 3.41Å; N449-L452 WeakPolarHBondContact OD1-CG 3.36Å; N449-L452 PolarHBondContact OD1-N 2.81Å; N449-L452 VanDerWaalsContact OD1-N 3.08Å; N449-T453 WeakPolarHBondContact O-CB 3.4Å; N449-T453 PolarHBondContact O-N 3.25Å; N449-T453 PolarHBondContact O-OG1 3.28Å
450K95Very high97.2Very high64 Ų6438.4 Ų38.428%0.27820%0.2SC..Hα-helixtrans-57.9-57.2-170.6-60.8-164.7176.1176.40112.8E354 Y380 G448 L452 T453 L454E354-K450 IonicContact OE1-NZ 3.74Å; E354-K450 PolarHBondContact OE1-NZ 2.81Å; E354-K450 IonicContact OE2-NZ 3.15Å; E354-K450 PolarHBondContact OE2-NZ 2.67Å; Y380-K450 HydrophobicContact CD1-CB 4.48Å; Y380-K450 HydrophobicContact CD1-CG 4.19Å; Y380-K450 HydrophobicContact CD2-CD 4.39Å; Y380-K450 HydrophobicContact CD2-CG 4.04Å; Y380-K450 HydrophobicContact CE1-CB 3.77Å; Y380-K450 HydrophobicContact CE1-CG 3.79Å; Y380-K450 HydrophobicContact CE2-CB 4.32Å; Y380-K450 HydrophobicContact CE2-CD 3.68Å; Y380-K450 HydrophobicContact CE2-CG 3.59Å; Y380-K450 HydrophobicContact CG-CG 4.31Å; Y380-K450 VanDerWaalsContact CZ-CG 3.42Å; Y380-K450 WeakPolarHBondContact OH-CB 3.18Å; G448-K450 PolarHBondContact O-N 3.16Å; K450-L452 PolarHBondContact O-N 2.87Å; K450-T453 PolarHBondContact O-N 2.98Å; K450-L454 WeakPolarHBondContact O-CB 3.31Å; K450-L454 VanDerWaalsContact O-CG 3.29Å; K450-L454 WeakPolarHBondContact O-CG 3.17Å; K450-L454 PolarHBondContact O-N 3.43Å
451T96.5Very high97.2Very high108 Ų10838.1 Ų38.166%0.66320%0.198SC*.Hα-helixtrans-57.6-46.5-176.4-54.40000112.2N449 A455N449-T451 PolarHBondContact O-N 2.67Å; N449-T451 PolarHBondContact OD1-N 2.68Å; T451-A455 WeakPolarHBondContact O-CB 3.5Å; T451-A455 PolarHBondContact O-N 3.39Å
452L97.8Very high97.1Very high44 Ų4436 Ų3623%0.2319%0.185CC..Hα-helixtrans-76.4-33.8-176.1-57.4-176.1000112I440 D444 N449 K450 A455 L456I440-L452 HydrophobicContact CG1-CB 4.23Å; I440-L452 HydrophobicContact CG1-CD2 4.02Å; I440-L452 HydrophobicContact CG2-CB 4.48Å; D444-L452 HydrophobicContact CB-CB 4.16Å; D444-L452 HydrophobicContact CB-CD1 3.69Å; N449-L452 HydrophobicContact CB-CB 4.39Å; N449-L452 PolarHBondContact O-N 3.41Å; N449-L452 WeakPolarHBondContact OD1-CG 3.36Å; N449-L452 PolarHBondContact OD1-N 2.81Å; N449-L452 VanDerWaalsContact OD1-N 3.08Å; K450-L452 PolarHBondContact O-N 2.87Å; L452-A455 PolarHBondContact O-N 3.49Å; L452-L456 PolarHBondContact O-N 2.91Å
453T97.7Very high97.1Very high1 Ų136.6 Ų36.61%0.00619%0.19CC..Hα-helixtrans-64.8-50.8172.9-57.60000110.6Y380 L383 N449 K450 A455 L456 V457Y380-T453 HydrophobicContact CD1-CG2 4.16Å; Y380-T453 HydrophobicContact CE1-CG2 4.38Å; L383-T453 HydrophobicContact CD1-CG2 3.9Å; N449-T453 WeakPolarHBondContact O-CB 3.4Å; N449-T453 PolarHBondContact O-N 3.25Å; N449-T453 PolarHBondContact O-OG1 3.28Å; K450-T453 PolarHBondContact O-N 2.98Å; T453-A455 VanDerWaalsContact C-N 3.26Å; T453-A455 PolarHBondContact O-N 2.99Å; T453-L456 PolarHBondContact O-N 3.03Å; T453-L456 VanDerWaalsContact O-N 3.08Å; T453-V457 HydrophobicContact CG2-CG2 4.24Å; T453-V457 VanDerWaalsContact O-CG2 3.28Å; T453-V457 WeakPolarHBondContact O-CG2 3.24Å; T453-V457 PolarHBondContact O-N 2.72Å
454L97.1Very high97Very high22 Ų2234.1 Ų34.112%0.11518%0.179CC..Hα-helixtrans-59.4-36.4176.8-68.7175.8000112.2E360 Y363 L379 Y380 K450 L456 V457 W458E360-L454 HydrophobicContact CG-CD1 4.4Å; E360-L454 HydrophobicContact CG-CD2 3.97Å; Y363-L454 HydrophobicContact CD2-CD2 3.65Å; Y363-L454 HydrophobicContact CE2-CD2 3.85Å; L379-L454 HydrophobicContact CD1-CD2 4.02Å; Y380-L454 HydrophobicContact CE1-CG 4.36Å; Y380-L454 WeakPolarHBondContact OH-CD1 3.47Å; K450-L454 WeakPolarHBondContact O-CB 3.31Å; K450-L454 VanDerWaalsContact O-CG 3.29Å; K450-L454 WeakPolarHBondContact O-CG 3.17Å; K450-L454 PolarHBondContact O-N 3.43Å; L454-L456 VanDerWaalsContact C-N 3.34Å; L454-L456 PolarHBondContact O-N 3.5Å; L454-V457 PolarHBondContact O-N 3.21Å; L454-W458 WeakPolarHBondContact O-CB 3.32Å; L454-W458 PolarHBondContact O-N 3.14Å
455A97.3Very high96.8Very high34 Ų3432.8 Ų32.828%0.28117%0.172SC..Hα-helixtrans-63.2-36.4175.600000113.4I440 T451 L452 T453 Q459I440-A455 HydrophobicContact CD1-CB 3.97Å; T451-A455 WeakPolarHBondContact O-CB 3.5Å; T451-A455 PolarHBondContact O-N 3.39Å; L452-A455 PolarHBondContact O-N 3.49Å; T453-A455 VanDerWaalsContact C-N 3.26Å; T453-A455 PolarHBondContact O-N 2.99Å; A455-Q459 WeakPolarHBondContact O-CG 3.4Å; A455-Q459 PolarHBondContact O-NE2 2.95Å; A455-Q459 VanDerWaalsContact O-NE2 3.15Å
456L98.2Very high96.6Very high2 Ų233 Ų331%0.0117%0.173CC..Hα-helixtrans-72.3-46.2173.1174.259.5000111.2I389 F435 L437 I445 L452 T453 L454 W458 Q459 L460I389-L456 HydrophobicContact CD1-CD2 3.99Å; I389-L456 HydrophobicContact CG2-CD2 4.46Å; F435-L456 HydrophobicContact CD2-CD1 4Å; F435-L456 HydrophobicContact CE2-CD1 4.37Å; L437-L456 HydrophobicContact CD1-CD1 4.15Å; L437-L456 HydrophobicContact CD2-CB 4.43Å; L437-L456 HydrophobicContact CD2-CD1 3.85Å; I445-L456 HydrophobicContact CD1-CB 4.48Å; I445-L456 HydrophobicContact CD1-CD2 3.93Å; I445-L456 HydrophobicContact CG1-CD2 4.25Å; L452-L456 PolarHBondContact O-N 2.91Å; T453-L456 PolarHBondContact O-N 3.03Å; T453-L456 VanDerWaalsContact O-N 3.08Å; L454-L456 VanDerWaalsContact C-N 3.34Å; L454-L456 PolarHBondContact O-N 3.5Å; L456-W458 PolarHBondContact O-N 3.23Å; L456-Q459 PolarHBondContact O-N 2.85Å; L456-Q459 VanDerWaalsContact O-N 3.09Å; L456-L460 HydrophobicContact CD1-CD1 4.43Å; L456-L460 HydrophobicContact CD1-CG 4.49Å; L456-L460 HydrophobicContact CG-CD1 4.19Å; L456-L460 PolarHBondContact O-N 3.15Å
457V98Very high96.3Very high2 Ų231 Ų311%0.01217%0.168CC..Hα-helixtrans-59.7-44.4-179.2172.40000111.6Y363 W366 M367 L383 T453 L454 Q459 L460 M461Y363-V457 HydrophobicContact CD1-CG1 3.99Å; Y363-V457 HydrophobicContact CD2-CB 4.14Å; Y363-V457 HydrophobicContact CD2-CG1 3.39Å; Y363-V457 HydrophobicContact CE2-CB 4.45Å; Y363-V457 HydrophobicContact CE2-CG1 4.02Å; Y363-V457 HydrophobicContact CG-CG1 3.39Å; W366-V457 HydrophobicContact CZ3-CG1 4.36Å; M367-V457 HydrophobicContact CE-CB 4.11Å; M367-V457 HydrophobicContact CE-CG1 3.3Å; M367-V457 HydrophobicContact CE-CG2 3.65Å; L383-V457 HydrophobicContact CD1-CG2 3.74Å; T453-V457 HydrophobicContact CG2-CG2 4.24Å; T453-V457 VanDerWaalsContact O-CG2 3.28Å; T453-V457 WeakPolarHBondContact O-CG2 3.24Å; T453-V457 PolarHBondContact O-N 2.72Å; L454-V457 PolarHBondContact O-N 3.21Å; V457-Q459 VanDerWaalsContact C-N 3.28Å; V457-Q459 PolarHBondContact O-N 3.12Å; V457-L460 WeakPolarHBondContact O-CB 3.43Å; V457-L460 PolarHBondContact O-N 3.17Å; V457-M461 PolarHBondContact O-N 3.06Å
458W96.9Very high96Very high24 Ų2427.9 Ų27.99%0.09115%0.152CC..Hα-helixtrans-54.3-44.7173.5166.3-118.1000112Y363 L454 L456 M461 R462 K572 M573 M575 T576Y363-W458 HydrophobicContact CE1-CE3 4.26Å; Y363-W458 WeakPolarHBondContact OH-CB 3.3Å; L454-W458 WeakPolarHBondContact O-CB 3.32Å; L454-W458 PolarHBondContact O-N 3.14Å; L456-W458 PolarHBondContact O-N 3.23Å; W458-M461 PolarHBondContact O-N 3.48Å; W458-R462 HydrophobicContact CH2-CB 4.25Å; W458-R462 HydrophobicContact CZ2-CB 4.09Å; W458-R462 HydrophobicContact CZ2-CG 4.35Å; W458-R462 WeakPolarHBondContact O-CB 3.36Å; W458-R462 PolarHBondContact O-N 2.83Å; W458-K572 HydrophobicContact CD2-CB 4.46Å; W458-K572 HydrophobicContact CD2-CD 3.73Å; W458-K572 HydrophobicContact CD2-CG 4.29Å; W458-K572 HydrophobicContact CE3-CB 4.35Å; W458-K572 HydrophobicContact CE3-CD 4.25Å; W458-K572 HydrophobicContact CG-CD 4.11Å; W458-K572 HydrophobicContact CH2-CB 3.46Å; W458-K572 VanDerWaalsContact CH2-CB 3.46Å; W458-K572 HydrophobicContact CH2-CD 4.42Å; W458-K572 HydrophobicContact CH2-CG 3.98Å; W458-K572 WeakPolarHBondContact CH2-O 3.44Å; W458-K572 HydrophobicContact CZ2-CB 3.54Å; W458-K572 HydrophobicContact CZ2-CD 3.89Å; W458-K572 HydrophobicContact CZ2-CG 3.48Å; W458-K572 VanDerWaalsContact CZ2-CG 3.48Å; W458-K572 HydrophobicContact CZ3-CB 3.88Å; W458-M573 HydrophobicContact CZ3-SD 4.37Å; W458-M575 HydrophobicContact CH2-CE 3.86Å; W458-M575 HydrophobicContact CZ2-CE 4.13Å; W458-T576 HydrophobicContact CH2-CG2 3.97Å; W458-T576 HydrophobicContact CZ3-CG2 4.06Å
459Q97.6Very high95.8Very high33 Ų3327.3 Ų27.315%0.15415%0.145CC..Hα-helixtrans-69.5-35.1-178.6-70.1-177.987.600112.1F435 S436 A455 L456 V457 A463F435-Q459 HydrophobicContact CB-CB 4.44Å; F435-Q459 HydrophobicContact CD1-CB 4.16Å; F435-Q459 HydrophobicContact CD2-CB 3.78Å; F435-Q459 HydrophobicContact CE1-CB 4.36Å; F435-Q459 HydrophobicContact CE2-CB 3.99Å; F435-Q459 HydrophobicContact CG-CB 3.88Å; F435-Q459 HydrophobicContact CZ-CB 4.27Å; F435-Q459 WeakPolarHBondContact CZ-O 3.25Å; S436-Q459 PolarHBondContact O-NE2 3.24Å; A455-Q459 WeakPolarHBondContact O-CG 3.4Å; A455-Q459 PolarHBondContact O-NE2 2.95Å; A455-Q459 VanDerWaalsContact O-NE2 3.15Å; L456-Q459 PolarHBondContact O-N 2.85Å; L456-Q459 VanDerWaalsContact O-N 3.09Å; V457-Q459 VanDerWaalsContact C-N 3.28Å; V457-Q459 PolarHBondContact O-N 3.12Å; Q459-A463 VanDerWaalsContact O-CB 3.26Å; Q459-A463 WeakPolarHBondContact O-CB 3.47Å; Q459-A463 PolarHBondContact O-N 2.92Å
460L98.2Very high95.5Very high0 Ų024.7 Ų24.70%013%0.132CC..Hα-helixtrans-63-48.8170.7-69.5163.6000111.2W366 I389 L392 Y393 I396 F435 L456 V457 R462 A463 Y464W366-L460 HydrophobicContact CH2-CB 3.8Å; W366-L460 HydrophobicContact CZ3-CB 4.34Å; I389-L460 HydrophobicContact CG2-CD1 4.04Å; L392-L460 HydrophobicContact CB-CD2 4.41Å; L392-L460 HydrophobicContact CD1-CD1 4.1Å; Y393-L460 HydrophobicContact CD1-CD2 3.83Å; Y393-L460 HydrophobicContact CE1-CD2 3.55Å; Y393-L460 HydrophobicContact CE2-CD2 4.35Å; Y393-L460 HydrophobicContact CG-CD2 4.3Å; I396-L460 HydrophobicContact CD1-CB 4.26Å; I396-L460 HydrophobicContact CD1-CD2 3.83Å; I396-L460 WeakPolarHBondContact CD1-O 3.28Å; F435-L460 HydrophobicContact CE2-CD2 3.67Å; F435-L460 HydrophobicContact CE2-CG 3.85Å; F435-L460 HydrophobicContact CZ-CD2 4.09Å; F435-L460 HydrophobicContact CZ-CG 4.45Å; L456-L460 HydrophobicContact CD1-CD1 4.43Å; L456-L460 HydrophobicContact CD1-CG 4.49Å; L456-L460 HydrophobicContact CG-CD1 4.19Å; L456-L460 PolarHBondContact O-N 3.15Å; V457-L460 WeakPolarHBondContact O-CB 3.43Å; V457-L460 PolarHBondContact O-N 3.17Å; L460-R462 PolarHBondContact O-N 2.9Å; L460-A463 PolarHBondContact O-N 2.84Å; L460-Y464 WeakPolarHBondContact O-CB 3.3Å; L460-Y464 PolarHBondContact O-N 2.99Å
461M97.4Very high95.1Very high1 Ų127.7 Ų27.71%0.00515%0.151CC..Hα-helixtrans-61.8-43.9178.5-174178.5-178.200111.7T362 Y363 W366 V457 W458 A463 Y464 T465 Y560 M573T362-M461 HydrophobicContact CG2-CE 4.04Å; T362-M461 HydrophobicContact CG2-SD 4.47Å; Y363-M461 HydrophobicContact CD1-SD 3.49Å; Y363-M461 WeakPolarHBondContact CD1-SD 3.25Å; Y363-M461 HydrophobicContact CE1-CB 4.44Å; Y363-M461 HydrophobicContact CE1-SD 3.51Å; Y363-M461 VanDerWaalsContact CE1-SD 3.51Å; W366-M461 HydrophobicContact CB-CE 4.35Å; W366-M461 HydrophobicContact CD2-CB 4.06Å; W366-M461 HydrophobicContact CD2-CG 3.85Å; W366-M461 HydrophobicContact CD2-SD 4.42Å; W366-M461 HydrophobicContact CE3-CB 3.81Å; W366-M461 HydrophobicContact CE3-CG 4.04Å; W366-M461 HydrophobicContact CE3-SD 4.46Å; W366-M461 HydrophobicContact CG-CE 4.4Å; W366-M461 HydrophobicContact CG-CG 4.22Å; W366-M461 HydrophobicContact CG-SD 4.44Å; W366-M461 HydrophobicContact CH2-CB 4Å; W366-M461 HydrophobicContact CZ2-CB 4.23Å; W366-M461 HydrophobicContact CZ3-CB 3.77Å; W366-M461 HydrophobicContact CZ3-CG 4.47Å; V457-M461 PolarHBondContact O-N 3.06Å; W458-M461 PolarHBondContact O-N 3.48Å; M461-A463 PolarHBondContact O-N 3.41Å; M461-Y464 WeakPolarHBondContact O-CB 3.46Å; M461-Y464 PolarHBondContact O-N 3.23Å; M461-T465 PolarHBondContact O-N 2.95Å; M461-T465 PolarHBondContact O-OG1 3.39Å; M461-T465 VanDerWaalsContact O-OG1 3.13Å; M461-Y560 HydrophobicContact CE-CD2 3.8Å; M461-Y560 HydrophobicContact CE-CG 3.89Å; M461-M573 HydrophobicContact CE-CE 4.43Å
462R96Very high94.5Very high80 Ų8023.8 Ų23.830%0.30213%0.128SC..Hα-helixtrans-60-46.7175-179.9174179.3-74.6-3.6111.3W458 L460 Y464 T465 L466 D481 M575W458-R462 HydrophobicContact CH2-CB 4.25Å; W458-R462 HydrophobicContact CZ2-CB 4.09Å; W458-R462 HydrophobicContact CZ2-CG 4.35Å; W458-R462 WeakPolarHBondContact O-CB 3.36Å; W458-R462 PolarHBondContact O-N 2.83Å; L460-R462 PolarHBondContact O-N 2.9Å; R462-Y464 VanDerWaalsContact C-N 3.32Å; R462-Y464 PolarHBondContact O-N 3.5Å; R462-T465 PolarHBondContact O-N 3.2Å; R462-L466 HydrophobicContact CG-CD1 4.25Å; R462-L466 WeakPolarHBondContact O-CG 3.32Å; R462-L466 PolarHBondContact O-N 3.02Å; R462-D481 IonicContact CZ-OD1 3.72Å; R462-D481 IonicContact NE-OD1 3.88Å; R462-D481 IonicContact NH2-OD1 2.72Å; R462-D481 PolarHBondContact NH2-OD1 2.91Å; R462-M575 HydrophobicContact CG-CE 3.99Å
463A96Very high93.8Very high13 Ų1323.2 Ų23.211%0.10713%0.13CC..Hα-helixtrans-62.7-40.1178.300000112I396 F435 Q459 L460 M461 L466 A467I396-A463 HydrophobicContact CD1-CB 4.21Å; I396-A463 HydrophobicContact CG2-CB 4.14Å; F435-A463 HydrophobicContact CE1-CB 3.76Å; F435-A463 HydrophobicContact CZ-CB 3.76Å; Q459-A463 VanDerWaalsContact O-CB 3.26Å; Q459-A463 WeakPolarHBondContact O-CB 3.47Å; Q459-A463 PolarHBondContact O-N 2.92Å; L460-A463 PolarHBondContact O-N 2.84Å; M461-A463 PolarHBondContact O-N 3.41Å; A463-L466 PolarHBondContact O-N 2.92Å; A463-A467 VanDerWaalsContact O-CB 3.29Å; A463-A467 WeakPolarHBondContact O-CB 3.37Å; A463-A467 PolarHBondContact O-N 2.85Å
464Y95.6Very high93Very high29 Ų2931.9 Ų31.911%0.11417%0.171CC..Hα-helixtrans-59-51.1172.9170.6-95.6000111.9W366 V370 I395 L460 M461 R462 L466 A467 V468 Y560W366-Y464 HydrophobicContact CZ2-CD1 4.36Å; W366-Y464 AromaticContact CZ2-CG 3.96Å; W366-Y464 HydrophobicContact CZ2-CG 3.96Å; W366-Y464 AromaticContact NE1-CD1 3.17Å; W366-Y464 AromaticContact NE1-CE1 3.49Å; W366-Y464 AromaticContact NE1-CG 3.55Å; V370-Y464 HydrophobicContact CG1-CE1 4.48Å; V370-Y464 HydrophobicContact CG1-CE2 3.85Å; I395-Y464 HydrophobicContact CG2-CD2 4.2Å; I395-Y464 HydrophobicContact CG2-CE2 4.19Å; L460-Y464 WeakPolarHBondContact O-CB 3.3Å; L460-Y464 PolarHBondContact O-N 2.99Å; M461-Y464 WeakPolarHBondContact O-CB 3.46Å; M461-Y464 PolarHBondContact O-N 3.23Å; R462-Y464 VanDerWaalsContact C-N 3.32Å; R462-Y464 PolarHBondContact O-N 3.5Å; Y464-L466 VanDerWaalsContact C-N 3.31Å; Y464-L466 PolarHBondContact O-N 3.28Å; Y464-A467 PolarHBondContact O-N 2.83Å; Y464-A467 VanDerWaalsContact O-N 3.13Å; Y464-V468 HydrophobicContact CD1-CG2 4.39Å; Y464-V468 HydrophobicContact CD2-CG2 4.39Å; Y464-V468 HydrophobicContact CE1-CG2 3.93Å; Y464-V468 HydrophobicContact CE2-CG2 3.93Å; Y464-V468 WeakPolarHBondContact O-CG2 3.36Å; Y464-V468 PolarHBondContact O-N 3.46Å; Y464-Y560 HydrophobicContact CE1-CE2 4.4Å
465T94.6Very high91.9Very high7 Ų733 Ų334%0.04318%0.18CC..Hα-helixtrans-58.2-43.9179.7-61.70000111.6M461 R462 V468 L469 A579M461-T465 PolarHBondContact O-N 2.95Å; M461-T465 PolarHBondContact O-OG1 3.39Å; M461-T465 VanDerWaalsContact O-OG1 3.13Å; R462-T465 PolarHBondContact O-N 3.2Å; T465-V468 PolarHBondContact O-N 2.86Å; T465-L469 PolarHBondContact O-N 2.79Å; T465-A579 HydrophobicContact CG2-CB 3.69Å
466L93.7Very high90.9Very high4 Ų435.6 Ų35.62%0.02121%0.21CC..Hα-helixtrans-69.4-34.4177.7-65179.1000112.7R462 A463 Y464 L469 A470 L478 A479 I484R462-L466 HydrophobicContact CG-CD1 4.25Å; R462-L466 WeakPolarHBondContact O-CG 3.32Å; R462-L466 PolarHBondContact O-N 3.02Å; A463-L466 PolarHBondContact O-N 2.92Å; Y464-L466 VanDerWaalsContact C-N 3.31Å; Y464-L466 PolarHBondContact O-N 3.28Å; L466-L469 HydrophobicContact CD2-CD2 4.49Å; L466-L469 PolarHBondContact O-N 2.78Å; L466-A470 WeakPolarHBondContact O-CB 3.31Å; L466-A470 PolarHBondContact O-N 3.42Å; L466-L478 HydrophobicContact CB-CB 4.34Å; L466-L478 HydrophobicContact CB-CD2 3.97Å; L466-L478 WeakPolarHBondContact O-CD2 3.36Å; L466-A479 WeakPolarHBondContact CD2-O 3.39Å; L466-I484 HydrophobicContact CD2-CD1 3.89Å
467A91.9Very high90.1Very high13 Ų1340 Ų4011%0.10724%0.238CC..Hα-helixtrans-66.7-41.1174.900000111.5I396 A463 Y464 L469 A470 N471 L478I396-A467 HydrophobicContact CG2-CB 4.27Å; A463-A467 VanDerWaalsContact O-CB 3.29Å; A463-A467 WeakPolarHBondContact O-CB 3.37Å; A463-A467 PolarHBondContact O-N 2.85Å; Y464-A467 PolarHBondContact O-N 2.83Å; Y464-A467 VanDerWaalsContact O-N 3.13Å; A467-L469 VanDerWaalsContact C-N 3.35Å; A467-A470 PolarHBondContact O-N 3.22Å; A467-N471 WeakPolarHBondContact O-CB 3.39Å; A467-N471 PolarHBondContact O-N 3.21Å; A467-N471 PolarHBondContact O-ND2 3.14Å; A467-L478 HydrophobicContact CB-CD2 4.49Å
468V88.7Confident89.5Confident26 Ų2644.6 Ų44.616%0.15826%0.261CS..Hα-helixtrans-59.5-47172.5171.90000110.5Y464 T465 N471 C472Y464-V468 HydrophobicContact CD1-CG2 4.39Å; Y464-V468 HydrophobicContact CD2-CG2 4.39Å; Y464-V468 HydrophobicContact CE1-CG2 3.93Å; Y464-V468 HydrophobicContact CE2-CG2 3.93Å; Y464-V468 WeakPolarHBondContact O-CG2 3.36Å; Y464-V468 PolarHBondContact O-N 3.46Å; T465-V468 PolarHBondContact O-N 2.86Å; V468-N471 PolarHBondContact O-N 3.39Å; V468-C472 PolarHBondContact O-N 3.14Å; V468-C472 PolarHBondContact O-SG 3.44Å; V468-C472 VanDerWaalsContact O-SG 3.33Å
469L91.2Very high89.1Confident3 Ų344.2 Ų44.22%0.01626%0.263CS..Hα-helixtrans-59.4-48.7176.8171.557.9000112.3T465 L466 A467 N471 C472 A473 A479 I484 M582 A583 Y586T465-L469 PolarHBondContact O-N 2.79Å; L466-L469 HydrophobicContact CD2-CD2 4.49Å; L466-L469 PolarHBondContact O-N 2.78Å; A467-L469 VanDerWaalsContact C-N 3.35Å; L469-N471 VanDerWaalsContact C-N 3.32Å; L469-N471 PolarHBondContact O-N 2.93Å; L469-C472 PolarHBondContact O-N 2.89Å; L469-A473 WeakPolarHBondContact O-CB 3.45Å; L469-A473 PolarHBondContact O-N 3.39Å; L469-A479 HydrophobicContact CD2-CB 3.58Å; L469-A479 HydrophobicContact CG-CB 4.42Å; L469-I484 HydrophobicContact CD2-CD1 4.29Å; L469-I484 HydrophobicContact CD2-CG1 4.13Å; L469-M582 HydrophobicContact CD1-CB 3.98Å; L469-M582 HydrophobicContact CD1-CG 3.68Å; L469-M582 HydrophobicContact CD1-SD 4.04Å; L469-M582 HydrophobicContact CD2-CG 4.46Å; L469-M582 HydrophobicContact CD2-SD 3.85Å; L469-A583 HydrophobicContact CB-CB 4.16Å; L469-A583 HydrophobicContact CD1-CB 3.96Å; L469-Y586 HydrophobicContact CD1-CD2 3.85Å; L469-Y586 HydrophobicContact CD1-CE2 4.02Å
470A89.4Confident88.8Confident8 Ų845.9 Ų45.97%0.06628%0.276CS..Hα-helixtrans-58.2-43.9178.300000112L466 A467 A473 Q474 S475 L478L466-A470 WeakPolarHBondContact O-CB 3.31Å; L466-A470 PolarHBondContact O-N 3.42Å; A467-A470 PolarHBondContact O-N 3.22Å; A470-A473 PolarHBondContact O-N 3.5Å; A470-Q474 PolarHBondContact O-N 2.94Å; A470-S475 CarbonylContact C-O 3.37Å; A470-S475 WeakPolarHBondContact CB-O 3.36Å; A470-S475 PolarHBondContact O-N 3.38Å; A470-L478 HydrophobicContact CB-CD2 4Å
471N86.9Confident88.6Confident127 Ų12749 Ų4968%0.67929%0.293SS*.Hα-helixtrans-62.8-43.4176.1-71-22.4000112.1A467 V468 L469 Q474A467-N471 WeakPolarHBondContact O-CB 3.39Å; A467-N471 PolarHBondContact O-N 3.21Å; A467-N471 PolarHBondContact O-ND2 3.14Å; V468-N471 PolarHBondContact O-N 3.39Å; L469-N471 VanDerWaalsContact C-N 3.32Å; L469-N471 PolarHBondContact O-N 2.93Å; N471-Q474 PolarHBondContact O-N 3.4Å
472C84.6Confident88.5Confident26 Ų2656.7 Ų56.718%0.17632%0.322CS..Hα-helixtrans-65.5-40.4176.4-70.50000112.2V468 L469 Q474 A583 M587V468-C472 PolarHBondContact O-N 3.14Å; V468-C472 PolarHBondContact O-SG 3.44Å; V468-C472 VanDerWaalsContact O-SG 3.33Å; L469-C472 PolarHBondContact O-N 2.89Å; C472-Q474 PolarHBondContact O-N 2.79Å; C472-A583 HydrophobicContact CB-CB 4.3Å; C472-A583 WeakPolarHBondContact CB-O 3.44Å; C472-M587 HydrophobicContact CB-CG 4.21Å
473A83.2Confident88.5Confident33 Ų3357.6 Ų57.627%0.27333%0.329SS..THydrogen-bonded Turntrans-73.8-7.8177.500000113.6L469 A470 S475 Y586L469-A473 WeakPolarHBondContact O-CB 3.45Å; L469-A473 PolarHBondContact O-N 3.39Å; A470-A473 PolarHBondContact O-N 3.5Å; A473-S475 PolarHBondContact O-N 3.29Å; A473-Y586 HydrophobicContact CB-CD2 3.76Å; A473-Y586 HydrophobicContact CB-CE2 4.02Å; A473-Y586 HydrophobicContact CB-CG 4.02Å
474Q80.6Confident88.5Confident183 Ų18357 Ų5786%0.85532%0.324SS*.THydrogen-bonded Turntrans51.221.8-166.8-56177.223.400112.7A470 N471 C472A470-Q474 PolarHBondContact O-N 2.94Å; N471-Q474 PolarHBondContact O-N 3.4Å; C472-Q474 PolarHBondContact O-N 2.79Å
475S74.5Confident88.6Confident45 Ų4556.1 Ų56.132%0.31532%0.321SS..  trans-91.6113.9179.2-174.90000106.3A470 A473 T477A470-S475 CarbonylContact C-O 3.37Å; A470-S475 WeakPolarHBondContact CB-O 3.36Å; A470-S475 PolarHBondContact O-N 3.38Å; A473-S475 PolarHBondContact O-N 3.29Å; S475-T477 PolarHBondContact O-N 2.87Å; S475-T477 PolarHBondContact OG-OG1 3.28Å
476G74.9Confident88.7Confident88 Ų8858.9 Ų58.991%0.90734%0.336SS*.SBendtrans-61.7-0.3174.800000114
477T83Confident88.9Confident96 Ų9659.4 Ų59.459%0.58934%0.337SS*.SBendtrans-111.7139.318058.70000111.7S475S475-T477 PolarHBondContact O-N 2.87Å; S475-T477 PolarHBondContact OG-OG1 3.28Å
478L85.7Confident89.2Confident98 Ų9858.8 Ų58.851%0.51333%0.332SS..PPolyproline II helixtrans-73.3131.8173.5-59178.8000109.8L466 A467 A470L466-L478 HydrophobicContact CB-CB 4.34Å; L466-L478 HydrophobicContact CB-CD2 3.97Å; L466-L478 WeakPolarHBondContact O-CD2 3.36Å; A467-L478 HydrophobicContact CB-CD2 4.49Å; A470-L478 HydrophobicContact CB-CD2 4Å
479A87.8Confident89.7Confident15 Ų1559.4 Ų59.412%0.12434%0.335CS..PPolyproline II helixtrans-65.6144.7174.500000111.6L466 L469 E483 I484L466-A479 WeakPolarHBondContact CD2-O 3.39Å; L469-A479 HydrophobicContact CD2-CB 3.58Å; L469-A479 HydrophobicContact CG-CB 4.42Å; A479-E483 WeakPolarHBondContact CA-OE2 3.24Å; A479-I484 HydrophobicContact CB-CD1 4.42Å; A479-I484 HydrophobicContact CB-CG1 4.1Å
480T91.8Very high90Very high69 Ų6964.2 Ų64.242%0.42336%0.357SS..PPolyproline II helixtrans-85156.1170.464.30000110.8R482 E483 I484T480-R482 PolarHBondContact O-N 3.12Å; T480-R482 VanDerWaalsContact O-N 3.12Å; T480-E483 PolarHBondContact N-OE2 3.32Å; T480-E483 PolarHBondContact O-N 2.84Å; T480-E483 VanDerWaalsContact OG1-CD 3.32Å; T480-E483 VanDerWaalsContact OG1-CG 3.28Å; T480-E483 WeakPolarHBondContact OG1-CG 3.45Å; T480-E483 PolarHBondContact OG1-N 3.49Å; T480-E483 PolarHBondContact OG1-OE2 2.84Å; T480-I484 PolarHBondContact O-N 3.14Å; T480-I484 VanDerWaalsContact O-N 3.07Å
481D93.1Very high90.4Very high66 Ų6664.1 Ų64.135%0.35336%0.356SS..Hα-helixtrans-52.7-34.7173.6-68.428.7000111.9R462 L485 F504R462-D481 IonicContact CZ-OD1 3.72Å; R462-D481 IonicContact NE-OD1 3.88Å; R462-D481 IonicContact NH2-OD1 2.72Å; R462-D481 PolarHBondContact NH2-OD1 2.91Å; D481-L485 WeakPolarHBondContact O-CB 3.4Å; D481-L485 PolarHBondContact O-N 3.17Å; D481-L485 VanDerWaalsContact O-N 3.08Å; D481-F504 HydrophobicContact CB-CE2 3.92Å; D481-F504 WeakPolarHBondContact O-CE2 3.32Å
482R95.6Very high90.9Very high162 Ų16258.1 Ų58.161%0.61132%0.324SS*.Hα-helixtrans-70-42.4177.3-177.761.365.5158.63.3112.3T480 I484 L485 N486T480-R482 PolarHBondContact O-N 3.12Å; T480-R482 VanDerWaalsContact O-N 3.12Å; R482-I484 VanDerWaalsContact C-N 3.35Å; R482-L485 PolarHBondContact O-N 3.03Å; R482-N486 WeakPolarHBondContact O-CB 3.43Å; R482-N486 PolarHBondContact O-N 3.49Å; R482-N486 PolarHBondContact O-OD1 3.05Å
483E95.1Very high91.6Very high98 Ų9864.1 Ų64.146%0.45835%0.349SS..Hα-helixtrans-63.9-41.6177.4-74.5161.615200111.2A479 T480 N486 W487A479-E483 WeakPolarHBondContact CA-OE2 3.24Å; T480-E483 PolarHBondContact N-OE2 3.32Å; T480-E483 PolarHBondContact O-N 2.84Å; T480-E483 VanDerWaalsContact OG1-CD 3.32Å; T480-E483 VanDerWaalsContact OG1-CG 3.28Å; T480-E483 WeakPolarHBondContact OG1-CG 3.45Å; T480-E483 PolarHBondContact OG1-N 3.49Å; T480-E483 PolarHBondContact OG1-OE2 2.84Å; E483-N486 PolarHBondContact O-N 3.47Å; E483-W487 WeakPolarHBondContact O-CB 3.31Å; E483-W487 PolarHBondContact O-N 2.81Å
484I96.7Very high92.2Very high0 Ų070.9 Ų70.90%037%0.368CS..Hα-helixtrans-62.1-45.6175.8-62.4160.9000110.6L466 L469 A479 T480 R482 A488 F504 M575 F578 A579 M582L466-I484 HydrophobicContact CD2-CD1 3.89Å; L469-I484 HydrophobicContact CD2-CD1 4.29Å; L469-I484 HydrophobicContact CD2-CG1 4.13Å; A479-I484 HydrophobicContact CB-CD1 4.42Å; A479-I484 HydrophobicContact CB-CG1 4.1Å; T480-I484 PolarHBondContact O-N 3.14Å; T480-I484 VanDerWaalsContact O-N 3.07Å; R482-I484 VanDerWaalsContact C-N 3.35Å; I484-A488 WeakPolarHBondContact O-CB 3.33Å; I484-A488 PolarHBondContact O-N 3.47Å; I484-F504 HydrophobicContact CB-CZ 4.07Å; I484-F504 HydrophobicContact CG2-CE1 4.29Å; I484-F504 HydrophobicContact CG2-CZ 3.82Å; I484-M575 HydrophobicContact CD1-SD 4.25Å; I484-F578 HydrophobicContact CG2-CB 3.75Å; I484-A579 HydrophobicContact CD1-CB 3.97Å; I484-M582 HydrophobicContact CB-SD 4.26Å; I484-M582 HydrophobicContact CG1-SD 3.83Å; I484-M582 HydrophobicContact CG2-SD 4.45Å
485L97.5Very high93Very high11 Ų1164.8 Ų64.86%0.05835%0.345CS..Hα-helixtrans-62.6-44.5178.3-177.569.5000112.2D481 R482 A488 N489 I501 G502 F504D481-L485 WeakPolarHBondContact O-CB 3.4Å; D481-L485 PolarHBondContact O-N 3.17Å; D481-L485 VanDerWaalsContact O-N 3.08Å; R482-L485 PolarHBondContact O-N 3.03Å; L485-A488 PolarHBondContact O-N 3.38Å; L485-N489 PolarHBondContact O-N 3.22Å; L485-N489 PolarHBondContact O-ND2 3.48Å; L485-I501 HydrophobicContact CD1-CD1 3.5Å; L485-I501 VanDerWaalsContact CD1-CD1 3.5Å; L485-I501 HydrophobicContact CD1-CG1 3.66Å; L485-G502 WeakPolarHBondContact CD2-O 3.44Å; L485-F504 HydrophobicContact CB-CZ 4.1Å; L485-F504 HydrophobicContact CD1-CE1 4.36Å
486N97.7Very high94.1Very high66 Ų6665.1 Ų65.135%0.35336%0.356SS..Hα-helixtrans-65-48178.9-70.3-4.2000110.6R482 E483 A488 N489 E490R482-N486 WeakPolarHBondContact O-CB 3.43Å; R482-N486 PolarHBondContact O-N 3.49Å; R482-N486 PolarHBondContact O-OD1 3.05Å; E483-N486 PolarHBondContact O-N 3.47Å; N486-A488 VanDerWaalsContact C-N 3.28Å; N486-A488 PolarHBondContact O-N 2.61Å; N486-N489 PolarHBondContact O-N 3.18Å; N486-E490 WeakPolarHBondContact O-CB 3.25Å; N486-E490 VanDerWaalsContact O-CG 3.3Å; N486-E490 WeakPolarHBondContact O-CG 3.39Å; N486-E490 PolarHBondContact O-N 2.83Å
487W97Very high95.2Very high14 Ų1462.9 Ų62.95%0.05332%0.321CS..Hα-helixtrans-55.2-44.2176163.285.8000111.6E483 N489 E490 T491 L518 I522 L581 M582 D585E483-W487 WeakPolarHBondContact O-CB 3.31Å; E483-W487 PolarHBondContact O-N 2.81Å; W487-N489 PolarHBondContact O-N 2.92Å; W487-E490 PolarHBondContact O-N 3.33Å; W487-T491 HydrophobicContact CZ2-CG2 4.48Å; W487-T491 PolarHBondContact NE1-OG1 3.11Å; W487-T491 VanDerWaalsContact O-CB 3.22Å; W487-T491 WeakPolarHBondContact O-CB 3.09Å; W487-T491 PolarHBondContact O-N 2.82Å; W487-T491 PolarHBondContact O-OG1 3.26Å; W487-L518 HydrophobicContact CH2-CD1 3.88Å; W487-L518 HydrophobicContact CH2-CD2 3.95Å; W487-L518 HydrophobicContact CH2-CG 4.18Å; W487-L518 HydrophobicContact CZ2-CD1 4.39Å; W487-L518 HydrophobicContact CZ3-CD1 4.28Å; W487-L518 HydrophobicContact CZ3-CD2 3.84Å; W487-I522 HydrophobicContact CH2-CD1 4.02Å; W487-I522 HydrophobicContact CZ2-CD1 4.26Å; W487-I522 HydrophobicContact CZ2-CG1 4.39Å; W487-L581 HydrophobicContact CH2-CB 4.11Å; W487-M582 HydrophobicContact CB-CE 3.69Å; W487-M582 HydrophobicContact CB-SD 4.14Å; W487-M582 HydrophobicContact CD2-CB 3.86Å; W487-M582 HydrophobicContact CD2-CE 4.33Å; W487-M582 HydrophobicContact CD2-CG 3.49Å; W487-M582 VanDerWaalsContact CD2-CG 3.49Å; W487-M582 HydrophobicContact CD2-SD 4Å; W487-M582 HydrophobicContact CE3-CB 3.54Å; W487-M582 HydrophobicContact CE3-CG 3.66Å; W487-M582 HydrophobicContact CE3-SD 4.03Å; W487-M582 HydrophobicContact CG-CE 3.75Å; W487-M582 HydrophobicContact CG-CG 3.92Å; W487-M582 HydrophobicContact CG-SD 4.02Å; W487-M582 HydrophobicContact CH2-CB 3.76Å; W487-M582 HydrophobicContact CH2-CG 4.38Å; W487-M582 VanDerWaalsContact CH2-N 3.27Å; W487-M582 HydrophobicContact CZ2-CB 4.05Å; W487-M582 HydrophobicContact CZ2-CG 4.24Å; W487-M582 HydrophobicContact CZ3-CB 3.48Å; W487-M582 VanDerWaalsContact CZ3-CB 3.48Å; W487-M582 HydrophobicContact CZ3-CG 4.1Å; W487-D585 HydrophobicContact CZ2-CB 3.66Å; W487-D585 PolarHBondContact NE1-OD2 3.14Å
488A98.1Very high95.7Very high0 Ų066.7 Ų66.70%033%0.332CS..Hα-helixtrans-60.6-49.9-179.600000111.3I484 L485 N486 T491 L492 L518 F578I484-A488 WeakPolarHBondContact O-CB 3.33Å; I484-A488 PolarHBondContact O-N 3.47Å; L485-A488 PolarHBondContact O-N 3.38Å; N486-A488 VanDerWaalsContact C-N 3.28Å; N486-A488 PolarHBondContact O-N 2.61Å; A488-T491 PolarHBondContact O-N 3.23Å; A488-L492 WeakPolarHBondContact O-CB 3.22Å; A488-L492 WeakPolarHBondContact O-CD1 3.34Å; A488-L492 VanDerWaalsContact O-CG 3.25Å; A488-L492 WeakPolarHBondContact O-CG 3.48Å; A488-L492 PolarHBondContact O-N 2.93Å; A488-L518 HydrophobicContact CB-CD2 4.15Å; A488-F578 HydrophobicContact CB-CD1 3.63Å; A488-F578 HydrophobicContact CB-CE1 3.94Å
489N98.5Very high96.2Very high40 Ų4063.3 Ų63.321%0.21432%0.317CS..Hα-helixtrans-67-39.7179.9-71.5-40.8000112.5L485 N486 W487 T491 L492 Q493 S500 I501L485-N489 PolarHBondContact O-N 3.22Å; L485-N489 PolarHBondContact O-ND2 3.48Å; N486-N489 PolarHBondContact O-N 3.18Å; W487-N489 PolarHBondContact O-N 2.92Å; N489-T491 VanDerWaalsContact C-N 3.33Å; N489-T491 PolarHBondContact O-N 3.11Å; N489-L492 PolarHBondContact O-N 2.76Å; N489-Q493 VanDerWaalsContact O-CB 3.32Å; N489-Q493 WeakPolarHBondContact O-CB 3.26Å; N489-Q493 PolarHBondContact O-N 2.94Å; N489-S500 WeakPolarHBondContact OD1-CA 3.36Å; N489-S500 WeakPolarHBondContact OD1-CB 3.43Å; N489-I501 PolarHBondContact ND2-O 3.22Å; N489-I501 PolarHBondContact OD1-N 3.36Å; N489-I501 PolarHBondContact OD1-O 3.32Å
490E98.2Very high96.6Very high103 Ų10364.9 Ų64.948%0.48133%0.327SS..Hα-helixtrans-65.5-36.7175.9-73.9172.3-166.100112N486 W487 R494N486-E490 WeakPolarHBondContact O-CB 3.25Å; N486-E490 VanDerWaalsContact O-CG 3.3Å; N486-E490 WeakPolarHBondContact O-CG 3.39Å; N486-E490 PolarHBondContact O-N 2.83Å; W487-E490 PolarHBondContact O-N 3.33Å; E490-R494 VanDerWaalsContact O-CB 3.29Å; E490-R494 WeakPolarHBondContact O-CB 3.32Å; E490-R494 WeakPolarHBondContact O-CG 3.46Å; E490-R494 PolarHBondContact O-N 3.1Å; E490-R494 PolarHBondContact O-NE 2.95Å; E490-R494 VanDerWaalsContact O-NE 3.1Å
491T97.9Very high96.9Very high7 Ų761.8 Ų61.84%0.04331%0.308CS..Hα-helixtrans-71-42.7178.2-58.70000111.4W487 A488 N489 R494 S495 L518 A521W487-T491 HydrophobicContact CZ2-CG2 4.48Å; W487-T491 PolarHBondContact NE1-OG1 3.11Å; W487-T491 VanDerWaalsContact O-CB 3.22Å; W487-T491 WeakPolarHBondContact O-CB 3.09Å; W487-T491 PolarHBondContact O-N 2.82Å; W487-T491 PolarHBondContact O-OG1 3.26Å; A488-T491 PolarHBondContact O-N 3.23Å; N489-T491 VanDerWaalsContact C-N 3.33Å; N489-T491 PolarHBondContact O-N 3.11Å; T491-R494 PolarHBondContact OG1-NH2 3.39Å; T491-S495 WeakPolarHBondContact O-CB 3.31Å; T491-S495 PolarHBondContact O-N 3.36Å; T491-S495 VanDerWaalsContact O-N 3.1Å; T491-S495 PolarHBondContact O-OG 3.26Å; T491-L518 HydrophobicContact CG2-CD1 3.99Å; T491-A521 HydrophobicContact CG2-CB 4.04Å
492L98.4Very high97.1Very high1 Ų160.9 Ų60.91%0.00531%0.314CS..Hα-helixtrans-59.2-49.3172.2-73166.2000111.2A488 N489 S495 G496 K497 V514 D517 L518A488-L492 WeakPolarHBondContact O-CB 3.22Å; A488-L492 WeakPolarHBondContact O-CD1 3.34Å; A488-L492 VanDerWaalsContact O-CG 3.25Å; A488-L492 WeakPolarHBondContact O-CG 3.48Å; A488-L492 PolarHBondContact O-N 2.93Å; N489-L492 PolarHBondContact O-N 2.76Å; L492-S495 CarbonylContact O-C 3.6Å; L492-S495 PolarHBondContact O-N 2.62Å; L492-G496 PolarHBondContact O-N 2.88Å; L492-K497 HydrophobicContact CB-CB 4.15Å; L492-K497 HydrophobicContact CD2-CB 3.83Å; L492-K497 HydrophobicContact CD2-CG 3.99Å; L492-K497 WeakPolarHBondContact O-CB 3.4Å; L492-K497 PolarHBondContact O-N 3.44Å; L492-V514 HydrophobicContact CD1-CG2 3.71Å; L492-D517 HydrophobicContact CD2-CB 3.64Å; L492-L518 HydrophobicContact CD2-CB 4.09Å; L492-L518 HydrophobicContact CG-CD1 4.29Å
493Q97.9Very high97.2Very high152 Ų15255.5 Ų55.571%0.7130%0.301SS*.Hα-helixtrans-62.2-47179.8-174.4-178.716.600112.1N489 S495 G496N489-Q493 VanDerWaalsContact O-CB 3.32Å; N489-Q493 WeakPolarHBondContact O-CB 3.26Å; N489-Q493 PolarHBondContact O-N 2.94Å; Q493-S495 PolarHBondContact O-N 3.42Å; Q493-G496 PolarHBondContact O-N 2.96Å
494R97.3Very high97.3Very high175 Ų17551.7 Ų51.766%0.6628%0.283SS*.Hα-helixtrans-60.5-29.2177.5-77.8-180-68.7154.9-0.3112.7E490 T491 G496E490-R494 VanDerWaalsContact O-CB 3.29Å; E490-R494 WeakPolarHBondContact O-CB 3.32Å; E490-R494 WeakPolarHBondContact O-CG 3.46Å; E490-R494 PolarHBondContact O-N 3.1Å; E490-R494 PolarHBondContact O-NE 2.95Å; E490-R494 VanDerWaalsContact O-NE 3.1Å; T491-R494 PolarHBondContact OG1-NH2 3.39Å; R494-G496 VanDerWaalsContact C-N 3.32Å
495S96.9Very high97.2Very high54 Ų5458.3 Ų58.338%0.37831%0.314SS..THydrogen-bonded Turntrans-90.68.3178.4-520000113.4T491 L492 Q493 K497 A521T491-S495 WeakPolarHBondContact O-CB 3.31Å; T491-S495 PolarHBondContact O-N 3.36Å; T491-S495 VanDerWaalsContact O-N 3.1Å; T491-S495 PolarHBondContact O-OG 3.26Å; L492-S495 CarbonylContact O-C 3.6Å; L492-S495 PolarHBondContact O-N 2.62Å; Q493-S495 PolarHBondContact O-N 3.42Å; S495-K497 PolarHBondContact O-N 3.44Å; S495-A521 WeakPolarHBondContact OG-CB 3.34Å
496G97Very high97.2Very high52 Ų5259.1 Ų59.154%0.53632%0.319SS..THydrogen-bonded Turntrans7211.6178.300000114.9L492 Q493 R494 Q498L492-G496 PolarHBondContact O-N 2.88Å; Q493-G496 PolarHBondContact O-N 2.96Å; R494-G496 VanDerWaalsContact C-N 3.32Å; G496-Q498 PolarHBondContact O-NE2 3.31Å
497K97.2Very high97.2Very high41 Ų4161.5 Ų61.518%0.17833%0.328CS..  trans-74.2143.6177.4-55.6-63.8-177.6177.80110L492 S495 D517 D520 Y529L492-K497 HydrophobicContact CB-CB 4.15Å; L492-K497 HydrophobicContact CD2-CB 3.83Å; L492-K497 HydrophobicContact CD2-CG 3.99Å; L492-K497 WeakPolarHBondContact O-CB 3.4Å; L492-K497 PolarHBondContact O-N 3.44Å; S495-K497 PolarHBondContact O-N 3.44Å; K497-D517 HydrophobicContact CB-CB 4.32Å; K497-D517 HydrophobicContact CD-CB 4.07Å; K497-D517 HydrophobicContact CG-CB 4.09Å; K497-D520 WeakPolarHBondContact CE-OD2 3.32Å; K497-D520 IonicContact NZ-OD2 3.37Å; K497-D520 PolarHBondContact NZ-OD2 3.25Å; K497-Y529 PolarHBondContact NZ-OH 3.39Å
498Q94.7Very high97.1Very high177 Ų17766.8 Ų66.883%0.82735%0.348SS*.  trans-91.2-17.1-179.4-57.7-56.6-58.200112.7G496G496-Q498 PolarHBondContact O-NE2 3.31Å
499S95.8Very high97.1Very high27 Ų2766.9 Ų66.919%0.18935%0.348CS..  trans-71.4147.317854.70000111.4D517S499-D517 VanDerWaalsContact CB-OD2 3.27Å; S499-D517 WeakPolarHBondContact CB-OD2 3.34Å; S499-D517 WeakPolarHBondContact OG-CB 3.36Å; S499-D517 PolarHBondContact OG-OD2 2.79Å
500S97.2Very high97.1Very high48 Ų4865.2 Ų65.234%0.33634%0.339SS..  trans-161.3158176.956.30000109.6N489 R508N489-S500 WeakPolarHBondContact OD1-CA 3.36Å; N489-S500 WeakPolarHBondContact OD1-CB 3.43Å; S500-R508 PolarHBondContact O-NE 3.06Å; S500-R508 PolarHBondContact O-NH1 3.27Å; S500-R508 VanDerWaalsContact O-NH1 3.13Å; S500-R508 PolarHBondContact OG-NH1 2.89Å
501I97.8Very high97.1Very high3 Ų362 Ų622%0.01533%0.326CS..  trans-129.4140.8177.751.5158.4000111.1L485 N489 F504 D506 V509 V514 F578L485-I501 HydrophobicContact CD1-CD1 3.5Å; L485-I501 VanDerWaalsContact CD1-CD1 3.5Å; L485-I501 HydrophobicContact CD1-CG1 3.66Å; N489-I501 PolarHBondContact ND2-O 3.22Å; N489-I501 PolarHBondContact OD1-N 3.36Å; N489-I501 PolarHBondContact OD1-O 3.32Å; I501-F504 HydrophobicContact CD1-CD1 4.27Å; I501-F504 HydrophobicContact CD1-CE1 4.42Å; I501-D506 HydrophobicContact CB-CB 4.21Å; I501-D506 HydrophobicContact CG2-CB 4.29Å; I501-V509 HydrophobicContact CG2-CG2 3.55Å; I501-V514 HydrophobicContact CG2-CB 4.42Å; I501-V514 HydrophobicContact CG2-CG1 3.98Å; I501-V514 HydrophobicContact CG2-CG2 3.99Å; I501-F578 HydrophobicContact CD1-CD1 4.4Å; I501-F578 HydrophobicContact CD1-CD2 4.37Å; I501-F578 HydrophobicContact CD1-CE1 3.81Å; I501-F578 HydrophobicContact CD1-CE2 3.8Å; I501-F578 HydrophobicContact CD1-CZ 3.48Å; I501-F578 VanDerWaalsContact CD1-CZ 3.48Å; I501-F578 HydrophobicContact CG1-CZ 4.34Å
502G96.6Very high97.1Very high48 Ų4861.7 Ų61.750%0.49532%0.324SS..SBendtrans-89.4-21178.600000113.8L485 D506L485-G502 WeakPolarHBondContact CD2-O 3.44Å; G502-D506 PolarHBondContact N-OD2 3.02Å
503S97.5Very high97.1Very high48 Ų4865.6 Ų65.634%0.33634%0.341SS..SBendtrans-163.1171.5174.773.30000109.9Q505 D506S503-Q505 PolarHBondContact O-N 2.83Å; S503-Q505 PolarHBondContact OG-N 3.48Å; S503-Q505 VanDerWaalsContact OG-N 3.16Å; S503-D506 WeakPolarHBondContact O-CB 3.34Å; S503-D506 PolarHBondContact O-N 2.85Å; S503-D506 VanDerWaalsContact O-N 3.13Å; S503-D506 PolarHBondContact OG-N 3.17Å
504F96.9Very high97.1Very high18 Ų1858.5 Ų58.58%0.07931%0.308CS..THydrogen-bonded Turntrans-72.9-3.9171.9-56.7-58.5000114.1D481 I484 L485 I501 P571 V574 M575 F578D481-F504 HydrophobicContact CB-CE2 3.92Å; D481-F504 WeakPolarHBondContact O-CE2 3.32Å; I484-F504 HydrophobicContact CB-CZ 4.07Å; I484-F504 HydrophobicContact CG2-CE1 4.29Å; I484-F504 HydrophobicContact CG2-CZ 3.82Å; L485-F504 HydrophobicContact CB-CZ 4.1Å; L485-F504 HydrophobicContact CD1-CE1 4.36Å; I501-F504 HydrophobicContact CD1-CD1 4.27Å; I501-F504 HydrophobicContact CD1-CE1 4.42Å; F504-P571 HydrophobicContact CB-CB 4.4Å; F504-P571 WeakPolarHBondContact O-CA 3.47Å; F504-V574 HydrophobicContact CB-CG1 4.15Å; F504-V574 HydrophobicContact CD1-CG1 4.16Å; F504-M575 HydrophobicContact CB-CB 4.32Å; F504-M575 HydrophobicContact CD1-CB 4.17Å; F504-M575 HydrophobicContact CD2-CB 3.64Å; F504-M575 HydrophobicContact CD2-CG 3.74Å; F504-M575 HydrophobicContact CE1-CB 4.42Å; F504-M575 HydrophobicContact CE2-CB 3.92Å; F504-M575 HydrophobicContact CE2-CG 3.52Å; F504-M575 HydrophobicContact CG-CB 3.78Å; F504-M575 HydrophobicContact CG-CG 4.33Å; F504-M575 HydrophobicContact CZ-CB 4.31Å; F504-M575 HydrophobicContact CZ-CG 3.95Å; F504-F578 HydrophobicContact CD1-CD2 4.05Å; F504-F578 HydrophobicContact CE1-CB 3.95Å; F504-F578 AromaticContact CE1-CD2 4Å; F504-F578 HydrophobicContact CE1-CD2 4Å; F504-F578 HydrophobicContact CE1-CG 4.03Å
505Q96Very high97.2Very high140 Ų14050.2 Ų50.265%0.65428%0.277SS*.THydrogen-bonded Turntrans-97.30.9170.3-66.7176.91.100112.3S503 Q507 P571S503-Q505 PolarHBondContact O-N 2.83Å; S503-Q505 PolarHBondContact OG-N 3.48Å; S503-Q505 VanDerWaalsContact OG-N 3.16Å; Q505-Q507 PolarHBondContact O-N 3.24Å; Q505-P571 HydrophobicContact CG-CB 3.54Å; Q505-P571 HydrophobicContact CG-CG 3.89Å
506D97Very high97.3Very high28 Ų2847.7 Ų47.715%0.1526%0.259CS..  trans-65.1122.5-175.7-167.3-35.9000111I501 G502 S503 R508 V509I501-D506 HydrophobicContact CB-CB 4.21Å; I501-D506 HydrophobicContact CG2-CB 4.29Å; G502-D506 PolarHBondContact N-OD2 3.02Å; S503-D506 WeakPolarHBondContact O-CB 3.34Å; S503-D506 PolarHBondContact O-N 2.85Å; S503-D506 VanDerWaalsContact O-N 3.13Å; S503-D506 PolarHBondContact OG-N 3.17Å; D506-R508 PolarHBondContact O-N 3.2Å; D506-R508 VanDerWaalsContact OD1-CB 3.29Å; D506-R508 WeakPolarHBondContact OD1-CB 3.46Å; D506-R508 WeakPolarHBondContact OD1-CG 3.38Å; D506-R508 IonicContact OD1-CZ 3.23Å; D506-R508 PolarHBondContact OD1-N 3.34Å; D506-R508 IonicContact OD1-NE 3.07Å; D506-R508 PolarHBondContact OD1-NE 2.95Å; D506-R508 IonicContact OD2-CZ 3.99Å; D506-R508 VanDerWaalsContact OD2-CZ 3.25Å; D506-R508 IonicContact OD2-NE 3.21Å; D506-R508 PolarHBondContact OD2-NE 3.06Å; D506-R508 VanDerWaalsContact OD2-NE 3.07Å; D506-R508 IonicContact OD2-NH2 2.73Å; D506-R508 PolarHBondContact OD2-NH2 3.37Å; D506-V509 WeakPolarHBondContact O-CB 3.46Å; D506-V509 WeakPolarHBondContact O-CG2 3.37Å; D506-V509 PolarHBondContact O-N 3.24Å
507Q96.5Very high97.3Very high116 Ų11646.4 Ų46.454%0.54224%0.24SC..G310 helixtrans-63.7-16.5-175.9-161.36019.500113.4Q505 V509 S510 C569Q505-Q507 PolarHBondContact O-N 3.24Å; Q507-V509 PolarHBondContact O-N 3.38Å; Q507-S510 VanDerWaalsContact O-CB 3.31Å; Q507-S510 WeakPolarHBondContact O-CB 3.49Å; Q507-S510 PolarHBondContact O-N 2.66Å; Q507-S510 PolarHBondContact O-OG 2.97Å; Q507-C569 PolarHBondContact OE1-SG 2.84Å
508R96Very high97.4Very high125 Ų12544.4 Ų44.447%0.47223%0.231SC..G310 helixtrans-62.8-14.5170.8-66.8179.3-73.4172.2-1.5113.4S500 D506 S510S500-R508 PolarHBondContact O-NE 3.06Å; S500-R508 PolarHBondContact O-NH1 3.27Å; S500-R508 VanDerWaalsContact O-NH1 3.13Å; S500-R508 PolarHBondContact OG-NH1 2.89Å; D506-R508 PolarHBondContact O-N 3.2Å; D506-R508 VanDerWaalsContact OD1-CB 3.29Å; D506-R508 WeakPolarHBondContact OD1-CB 3.46Å; D506-R508 WeakPolarHBondContact OD1-CG 3.38Å; D506-R508 IonicContact OD1-CZ 3.23Å; D506-R508 PolarHBondContact OD1-N 3.34Å; D506-R508 IonicContact OD1-NE 3.07Å; D506-R508 PolarHBondContact OD1-NE 2.95Å; D506-R508 IonicContact OD2-CZ 3.99Å; D506-R508 VanDerWaalsContact OD2-CZ 3.25Å; D506-R508 IonicContact OD2-NE 3.21Å; D506-R508 PolarHBondContact OD2-NE 3.06Å; D506-R508 VanDerWaalsContact OD2-NE 3.07Å; D506-R508 IonicContact OD2-NH2 2.73Å; D506-R508 PolarHBondContact OD2-NH2 3.37Å; R508-S510 VanDerWaalsContact C-N 3.32Å
509V97.8Very high97.6Very high1 Ų136 Ų361%0.00619%0.192CC..G310 helixtrans-73.1-26.1171.2178.90000111.8I501 D506 Q507 D511 A512 V514 I566 V574 F578I501-V509 HydrophobicContact CG2-CG2 3.55Å; D506-V509 WeakPolarHBondContact O-CB 3.46Å; D506-V509 WeakPolarHBondContact O-CG2 3.37Å; D506-V509 PolarHBondContact O-N 3.24Å; Q507-V509 PolarHBondContact O-N 3.38Å; V509-D511 PolarHBondContact O-N 2.97Å; V509-D511 VanDerWaalsContact O-N 3.08Å; V509-A512 WeakPolarHBondContact O-CA 3.32Å; V509-A512 PolarHBondContact O-N 2.94Å; V509-V514 HydrophobicContact CB-CG1 4.49Å; V509-V514 HydrophobicContact CG2-CG1 4.13Å; V509-I566 HydrophobicContact CG1-CG2 4Å; V509-I566 VanDerWaalsContact O-CG2 3.29Å; V509-I566 WeakPolarHBondContact O-CG2 3.47Å; V509-V574 HydrophobicContact CG1-CG1 3.88Å; V509-V574 HydrophobicContact CG1-CG2 3.98Å; V509-V574 HydrophobicContact CG2-CG1 4.26Å; V509-F578 HydrophobicContact CG2-CE2 4.48Å
510S98Very high97.7Very high5 Ų535.7 Ų35.74%0.03519%0.188CC..THydrogen-bonded Turntrans-62.3-21.6-168.965.10000115.6Q507 R508 K541 I566 V567 C569Q507-S510 VanDerWaalsContact O-CB 3.31Å; Q507-S510 WeakPolarHBondContact O-CB 3.49Å; Q507-S510 PolarHBondContact O-N 2.66Å; Q507-S510 PolarHBondContact O-OG 2.97Å; R508-S510 VanDerWaalsContact C-N 3.32Å; S510-K541 WeakPolarHBondContact O-CB 3.33Å; S510-K541 WeakPolarHBondContact O-CD 3.2Å; S510-K541 PolarHBondContact OG-NZ 3.15Å; S510-I566 WeakPolarHBondContact CA-O 3.34Å; S510-V567 VanDerWaalsContact CB-O 3.3Å; S510-V567 WeakPolarHBondContact CB-O 3.45Å; S510-C569 VanDerWaalsContact CB-SG 3.58Å
511D97.9Very high97.7Very high37 Ų3734 Ų3420%0.19818%0.177CC..THydrogen-bonded Turntrans-93.12.6176.467.416000114V509 K513 K541 N544V509-D511 PolarHBondContact O-N 2.97Å; V509-D511 VanDerWaalsContact O-N 3.08Å; D511-K513 HydrophobicContact CB-CD 4.37Å; D511-K513 HydrophobicContact CB-CG 4.35Å; D511-K513 PolarHBondContact O-N 3.28Å; D511-K513 WeakPolarHBondContact OD1-CB 3.48Å; D511-K513 PolarHBondContact OD1-N 2.93Å; D511-K513 WeakPolarHBondContact OD2-CD 3.41Å; D511-K541 HydrophobicContact CB-CG 4.15Å; D511-N544 WeakPolarHBondContact O-CB 3.28Å; D511-N544 PolarHBondContact O-ND2 2.86Å; D511-N544 VanDerWaalsContact O-ND2 3.15Å
512A98.5Very high97.7Very high0 Ų034 Ų340%018%0.177CC..SBendtrans59.11.4-176.700000116V509 V514 V515 I516 N544 A545 A548 I566V509-A512 WeakPolarHBondContact O-CA 3.32Å; V509-A512 PolarHBondContact O-N 2.94Å; A512-V514 PolarHBondContact O-N 3.37Å; A512-V515 WeakPolarHBondContact O-CB 3.44Å; A512-V515 PolarHBondContact O-N 3.46Å; A512-I516 WeakPolarHBondContact O-CG1 3.38Å; A512-I516 PolarHBondContact O-N 3.49Å; A512-N544 HydrophobicContact CB-CB 4.02Å; A512-A545 HydrophobicContact CB-CB 4.09Å; A512-A548 HydrophobicContact CB-CB 4.09Å; A512-I566 HydrophobicContact CB-CG2 3.77Å
513K98.5Very high97.7Very high82 Ų8232.7 Ų32.736%0.35716%0.158SC..Hα-helixtrans-66-37.9-173.7-66.2173.671.1170.30112.3D511 V515 I516 D517 V532D511-K513 HydrophobicContact CB-CD 4.37Å; D511-K513 HydrophobicContact CB-CG 4.35Å; D511-K513 PolarHBondContact O-N 3.28Å; D511-K513 WeakPolarHBondContact OD1-CB 3.48Å; D511-K513 PolarHBondContact OD1-N 2.93Å; D511-K513 WeakPolarHBondContact OD2-CD 3.41Å; K513-V515 VanDerWaalsContact C-N 3.27Å; K513-V515 PolarHBondContact O-N 3.32Å; K513-I516 PolarHBondContact O-N 2.91Å; K513-D517 WeakPolarHBondContact O-CB 3.35Å; K513-D517 VanDerWaalsContact O-CG 3.3Å; K513-D517 PolarHBondContact O-N 3.5Å; K513-V532 HydrophobicContact CG-CG1 4.39Å
514V98.5Very high97.6Very high4 Ų435.4 Ų35.42%0.02417%0.174CC..Hα-helixtrans-63.7-33.117466.30000112.5L492 I501 V509 A512 L518 F578L492-V514 HydrophobicContact CD1-CG2 3.71Å; I501-V514 HydrophobicContact CG2-CB 4.42Å; I501-V514 HydrophobicContact CG2-CG1 3.98Å; I501-V514 HydrophobicContact CG2-CG2 3.99Å; V509-V514 HydrophobicContact CB-CG1 4.49Å; V509-V514 HydrophobicContact CG2-CG1 4.13Å; A512-V514 PolarHBondContact O-N 3.37Å; V514-L518 WeakPolarHBondContact O-CB 3.38Å; V514-L518 PolarHBondContact O-N 3.36Å; V514-L518 VanDerWaalsContact O-N 3.08Å; V514-F578 HydrophobicContact CG1-CZ 4.27Å
515V98.7Very high97.5Very high1 Ų137.7 Ų37.71%0.00620%0.203CC..Hα-helixtrans-71.7-43.7175.8-177.20000109.8A512 K513 L518 I519 A548 I566 V577 F578 L581A512-V515 WeakPolarHBondContact O-CB 3.44Å; A512-V515 PolarHBondContact O-N 3.46Å; K513-V515 VanDerWaalsContact C-N 3.27Å; K513-V515 PolarHBondContact O-N 3.32Å; V515-L518 PolarHBondContact O-N 3.07Å; V515-I519 HydrophobicContact CG1-CD1 4.14Å; V515-I519 WeakPolarHBondContact O-CD1 3.38Å; V515-I519 VanDerWaalsContact O-CG1 3.28Å; V515-I519 WeakPolarHBondContact O-CG1 3.47Å; V515-I519 PolarHBondContact O-N 3.44Å; V515-A548 HydrophobicContact CB-CB 4.39Å; V515-A548 HydrophobicContact CG1-CB 4.12Å; V515-I566 HydrophobicContact CG2-CD1 4.5Å; V515-V577 HydrophobicContact CG1-CG1 3.84Å; V515-F578 HydrophobicContact CG2-CE2 4.36Å; V515-F578 HydrophobicContact CG2-CZ 4.26Å; V515-L581 HydrophobicContact CG1-CD1 4.07Å
516I98.7Very high97.5Very high0 Ų032 Ų320%018%0.177CC..Hα-helixtrans-59.5-47.7175.2-68.3166.2000111A512 K513 L518 I519 D520 I527 Y529 V532 N544 Y547 A548A512-I516 WeakPolarHBondContact O-CG1 3.38Å; A512-I516 PolarHBondContact O-N 3.49Å; K513-I516 PolarHBondContact O-N 2.91Å; I516-L518 VanDerWaalsContact C-N 3.28Å; I516-L518 PolarHBondContact O-N 3.29Å; I516-I519 WeakPolarHBondContact O-CB 3.44Å; I516-I519 PolarHBondContact O-N 3.39Å; I516-D520 PolarHBondContact O-N 2.93Å; I516-I527 HydrophobicContact CG2-CB 4.45Å; I516-I527 HydrophobicContact CG2-CD1 4.13Å; I516-I527 HydrophobicContact CG2-CG1 4.05Å; I516-I527 HydrophobicContact CG2-CG2 3.58Å; I516-Y529 HydrophobicContact CG2-CE1 4.05Å; I516-V532 HydrophobicContact CD1-CG1 3.89Å; I516-V532 HydrophobicContact CD1-CG2 4.1Å; I516-V532 HydrophobicContact CG2-CG2 4.12Å; I516-N544 HydrophobicContact CD1-CB 4.11Å; I516-Y547 HydrophobicContact CD1-CD1 4.45Å; I516-A548 HydrophobicContact CD1-CB 4.39Å; I516-A548 HydrophobicContact CG1-CB 3.73Å
517D98.6Very high97.5Very high25 Ų2531.3 Ų31.313%0.13417%0.173CC..Hα-helixtrans-61.3-37.8177.6-76.1-18.1000112.3L492 K497 S499 K513 D520 A521 Y529L492-D517 HydrophobicContact CD2-CB 3.64Å; K497-D517 HydrophobicContact CB-CB 4.32Å; K497-D517 HydrophobicContact CD-CB 4.07Å; K497-D517 HydrophobicContact CG-CB 4.09Å; S499-D517 VanDerWaalsContact CB-OD2 3.27Å; S499-D517 WeakPolarHBondContact CB-OD2 3.34Å; S499-D517 WeakPolarHBondContact OG-CB 3.36Å; S499-D517 PolarHBondContact OG-OD2 2.79Å; K513-D517 WeakPolarHBondContact O-CB 3.35Å; K513-D517 VanDerWaalsContact O-CG 3.3Å; K513-D517 PolarHBondContact O-N 3.5Å; D517-D520 PolarHBondContact O-N 3.16Å; D517-A521 WeakPolarHBondContact O-CB 3.33Å; D517-A521 PolarHBondContact O-N 2.8Å; D517-Y529 VanDerWaalsContact OD1-CE1 3.31Å; D517-Y529 WeakPolarHBondContact OD1-CE1 3.24Å; D517-Y529 PolarHBondContact OD1-OH 3.31Å
518L98.6Very high97.6Very high0 Ų029 Ų290%016%0.164CC..Hα-helixtrans-70-37.4177.3-176.960.1000111.7W487 A488 T491 L492 V514 V515 I516 A521 I522 F578 L581W487-L518 HydrophobicContact CH2-CD1 3.88Å; W487-L518 HydrophobicContact CH2-CD2 3.95Å; W487-L518 HydrophobicContact CH2-CG 4.18Å; W487-L518 HydrophobicContact CZ2-CD1 4.39Å; W487-L518 HydrophobicContact CZ3-CD1 4.28Å; W487-L518 HydrophobicContact CZ3-CD2 3.84Å; A488-L518 HydrophobicContact CB-CD2 4.15Å; T491-L518 HydrophobicContact CG2-CD1 3.99Å; L492-L518 HydrophobicContact CD2-CB 4.09Å; L492-L518 HydrophobicContact CG-CD1 4.29Å; V514-L518 WeakPolarHBondContact O-CB 3.38Å; V514-L518 PolarHBondContact O-N 3.36Å; V514-L518 VanDerWaalsContact O-N 3.08Å; V515-L518 PolarHBondContact O-N 3.07Å; I516-L518 VanDerWaalsContact C-N 3.28Å; I516-L518 PolarHBondContact O-N 3.29Å; L518-A521 WeakPolarHBondContact O-CB 3.35Å; L518-A521 PolarHBondContact O-N 3.42Å; L518-I522 HydrophobicContact CD1-CD1 4.49Å; L518-I522 HydrophobicContact CG-CD1 4.24Å; L518-I522 WeakPolarHBondContact O-CD1 3.37Å; L518-I522 VanDerWaalsContact O-CG1 3.28Å; L518-I522 WeakPolarHBondContact O-CG1 3.43Å; L518-I522 PolarHBondContact O-N 2.94Å; L518-F578 HydrophobicContact CD2-CD1 3.43Å; L518-F578 VanDerWaalsContact CD2-CD1 3.43Å; L518-F578 HydrophobicContact CD2-CE1 3.59Å; L518-L581 HydrophobicContact CD2-CB 4.32Å; L518-L581 HydrophobicContact CD2-CD1 3.8Å; L518-L581 HydrophobicContact CG-CD1 4.19Å
519I98.5Very high97.6Very high0 Ų027.2 Ų27.20%016%0.158CC..Hα-helixtrans-60.7-46.5173.2-68.8159.1000110.4V515 I516 A521 I522 Q523 I526 I527 A548 M551 A552 I555 L581V515-I519 HydrophobicContact CG1-CD1 4.14Å; V515-I519 WeakPolarHBondContact O-CD1 3.38Å; V515-I519 VanDerWaalsContact O-CG1 3.28Å; V515-I519 WeakPolarHBondContact O-CG1 3.47Å; V515-I519 PolarHBondContact O-N 3.44Å; I516-I519 WeakPolarHBondContact O-CB 3.44Å; I516-I519 PolarHBondContact O-N 3.39Å; I519-A521 VanDerWaalsContact C-N 3.33Å; I519-A521 PolarHBondContact O-N 3.18Å; I519-I522 PolarHBondContact O-N 3.06Å; I519-Q523 PolarHBondContact O-N 3.03Å; I519-I526 HydrophobicContact CG2-CG2 3.84Å; I519-I527 HydrophobicContact CB-CD1 4.27Å; I519-I527 HydrophobicContact CG2-CD1 3.78Å; I519-I527 HydrophobicContact CG2-CG1 4.18Å; I519-A548 HydrophobicContact CD1-CB 4.49Å; I519-A548 VanDerWaalsContact CD1-O 3.24Å; I519-A548 WeakPolarHBondContact CD1-O 3.42Å; I519-M551 HydrophobicContact CD1-CB 4.18Å; I519-M551 HydrophobicContact CG2-CB 4.23Å; I519-A552 HydrophobicContact CD1-CB 3.94Å; I519-A552 HydrophobicContact CG1-CB 4.33Å; I519-I555 HydrophobicContact CG2-CD1 4.09Å; I519-I555 HydrophobicContact CG2-CG1 4.47Å; I519-I555 HydrophobicContact CG2-CG2 4.07Å; I519-L581 HydrophobicContact CG1-CD1 4.32Å; I519-L581 HydrophobicContact CG1-CD2 3.71Å
520D98.2Very high97.6Very high20 Ų2035.4 Ų35.411%0.10720%0.197CC..Hα-helixtrans-66-34.8176.2-16967000112.2K497 I516 D517 I522 Q523 P524 G525 I527 Y529K497-D520 WeakPolarHBondContact CE-OD2 3.32Å; K497-D520 IonicContact NZ-OD2 3.37Å; K497-D520 PolarHBondContact NZ-OD2 3.25Å; I516-D520 PolarHBondContact O-N 2.93Å; D517-D520 PolarHBondContact O-N 3.16Å; D520-I522 VanDerWaalsContact C-N 3.31Å; D520-I522 PolarHBondContact O-N 3.33Å; D520-Q523 CarbonylContact O-C 3.48Å; D520-Q523 PolarHBondContact O-N 2.87Å; D520-P524 WeakPolarHBondContact O-CA 3.3Å; D520-G525 PolarHBondContact OD1-N 3.11Å; D520-I527 HydrophobicContact CB-CB 4.18Å; D520-I527 HydrophobicContact CB-CG1 3.8Å; D520-Y529 HydrophobicContact CB-CE2 4.3Å
521A97.8Very high97.5Very high13 Ų1337.7 Ų37.711%0.10721%0.208CC..Hα-helixtrans-63.3-35.5174.600000112.7T491 S495 D517 L518 I519T491-A521 HydrophobicContact CG2-CB 4.04Å; S495-A521 WeakPolarHBondContact OG-CB 3.34Å; D517-A521 WeakPolarHBondContact O-CB 3.33Å; D517-A521 PolarHBondContact O-N 2.8Å; L518-A521 WeakPolarHBondContact O-CB 3.35Å; L518-A521 PolarHBondContact O-N 3.42Å; I519-A521 VanDerWaalsContact C-N 3.33Å; I519-A521 PolarHBondContact O-N 3.18Å
522I96.8Very high97.6Very high3 Ų337.2 Ų37.22%0.01521%0.206CC..Hα-helixtrans-76.1-41.3177.4-65.4162.3000111.3W487 L518 I519 D520 I555 L581 R584 D585W487-I522 HydrophobicContact CH2-CD1 4.02Å; W487-I522 HydrophobicContact CZ2-CD1 4.26Å; W487-I522 HydrophobicContact CZ2-CG1 4.39Å; L518-I522 HydrophobicContact CD1-CD1 4.49Å; L518-I522 HydrophobicContact CG-CD1 4.24Å; L518-I522 WeakPolarHBondContact O-CD1 3.37Å; L518-I522 VanDerWaalsContact O-CG1 3.28Å; L518-I522 WeakPolarHBondContact O-CG1 3.43Å; L518-I522 PolarHBondContact O-N 2.94Å; I519-I522 PolarHBondContact O-N 3.06Å; D520-I522 VanDerWaalsContact C-N 3.31Å; D520-I522 PolarHBondContact O-N 3.33Å; I522-I555 HydrophobicContact CB-CD1 4.37Å; I522-I555 HydrophobicContact CD1-CD1 4.45Å; I522-I555 HydrophobicContact CG2-CD1 4.11Å; I522-L581 HydrophobicContact CD1-CB 3.82Å; I522-L581 HydrophobicContact CD1-CD2 4.07Å; I522-L581 HydrophobicContact CD1-CG 4.48Å; I522-R584 HydrophobicContact CG2-CG 4.5Å; I522-D585 HydrophobicContact CD1-CB 4.43Å; I522-D585 HydrophobicContact CG1-CB 4.12Å; I522-D585 HydrophobicContact CG2-CB 4.27Å
523Q96.1Very high97.5Very high21 Ų2140.4 Ų40.410%0.09822%0.222CC..SBendtrans-132.286178.7-169.6174-38.100110.3I519 D520 G525 I526 I555I519-Q523 PolarHBondContact O-N 3.03Å; D520-Q523 CarbonylContact O-C 3.48Å; D520-Q523 PolarHBondContact O-N 2.87Å; Q523-G525 PolarHBondContact O-N 2.89Å; Q523-I526 HydrophobicContact CB-CB 4.33Å; Q523-I526 HydrophobicContact CB-CG2 4.18Å; Q523-I526 HydrophobicContact CG-CB 4.16Å; Q523-I526 WeakPolarHBondContact O-CB 3.28Å; Q523-I526 WeakPolarHBondContact O-CG2 3.26Å; Q523-I526 PolarHBondContact O-N 3.18Å; Q523-I555 HydrophobicContact CB-CG2 4.07Å
524P96.2Very high97.5Very high104 Ų10440.6 Ų40.668%0.67523%0.231SC*.THydrogen-bonded Turntrans-55.9131.8-175.1-29.536.5000113.7D520 I526D520-P524 WeakPolarHBondContact O-CA 3.3Å; P524-I526 VanDerWaalsContact C-N 3.34Å
525G94.8Very high97.3Very high67 Ų6740.8 Ų40.869%0.69123%0.234SC*.THydrogen-bonded Turntrans84.72.3176.900000114.5D520 Q523 I527D520-G525 PolarHBondContact OD1-N 3.11Å; Q523-G525 PolarHBondContact O-N 2.89Å; G525-I527 VanDerWaalsContact C-N 3.34Å
526I95.9Very high97.1Very high21 Ų2144.8 Ų44.811%0.10827%0.267CS..  trans-74.2-27.3176.9-160.752.8000112.5E160 I519 Q523 P524 M551 K554 I555E160-I526 VanDerWaalsContact OE1-CD1 3.29Å; E160-I526 WeakPolarHBondContact OE1-CD1 3.34Å; I519-I526 HydrophobicContact CG2-CG2 3.84Å; Q523-I526 HydrophobicContact CB-CB 4.33Å; Q523-I526 HydrophobicContact CB-CG2 4.18Å; Q523-I526 HydrophobicContact CG-CB 4.16Å; Q523-I526 WeakPolarHBondContact O-CB 3.28Å; Q523-I526 WeakPolarHBondContact O-CG2 3.26Å; Q523-I526 PolarHBondContact O-N 3.18Å; P524-I526 VanDerWaalsContact C-N 3.34Å; I526-M551 HydrophobicContact CB-CE 4.43Å; I526-M551 HydrophobicContact CD1-CE 4.41Å; I526-M551 HydrophobicContact CG1-CE 3.7Å; I526-M551 HydrophobicContact CG2-CE 4.36Å; I526-M551 WeakPolarHBondContact O-CE 3.32Å; I526-K554 HydrophobicContact CD1-CD 4.49Å; I526-I555 HydrophobicContact CB-CG2 4.44Å; I526-I555 HydrophobicContact CG1-CG2 3.86Å; I526-I555 HydrophobicContact CG2-CG2 4.02Å
527I97.9Very high97.1Very high13 Ų1347.9 Ų47.97%0.06729%0.286CS..  trans-87.8128.3-179.1-65-57.8000110I516 I519 D520 G525 Y529 V532 Y547 M551I516-I527 HydrophobicContact CG2-CB 4.45Å; I516-I527 HydrophobicContact CG2-CD1 4.13Å; I516-I527 HydrophobicContact CG2-CG1 4.05Å; I516-I527 HydrophobicContact CG2-CG2 3.58Å; I519-I527 HydrophobicContact CB-CD1 4.27Å; I519-I527 HydrophobicContact CG2-CD1 3.78Å; I519-I527 HydrophobicContact CG2-CG1 4.18Å; D520-I527 HydrophobicContact CB-CB 4.18Å; D520-I527 HydrophobicContact CB-CG1 3.8Å; G525-I527 VanDerWaalsContact C-N 3.34Å; I527-Y529 HydrophobicContact CB-CD2 4.27Å; I527-Y529 HydrophobicContact CB-CE2 4.03Å; I527-Y529 HydrophobicContact CG2-CD1 4.18Å; I527-Y529 HydrophobicContact CG2-CD2 3.66Å; I527-Y529 HydrophobicContact CG2-CE1 4.22Å; I527-Y529 HydrophobicContact CG2-CE2 3.68Å; I527-Y529 HydrophobicContact CG2-CG 3.93Å; I527-Y529 PolarHBondContact O-N 3.05Å; I527-V532 HydrophobicContact CG2-CG2 4.37Å; I527-Y547 HydrophobicContact CD1-CE1 4.21Å; I527-Y547 HydrophobicContact CG2-CE1 4.26Å; I527-M551 HydrophobicContact CD1-CB 3.8Å; I527-M551 HydrophobicContact CD1-CE 3.97Å; I527-M551 HydrophobicContact CD1-CG 3.83Å
528N96.8Very high97Very high66 Ų6651.7 Ų51.735%0.35331%0.31SS..  trans-90.599.5162.6-175.2-2.9000109.4E530 L531 Y547N528-E530 PolarHBondContact O-N 3.13Å; N528-E530 VanDerWaalsContact OD1-CB 3.3Å; N528-E530 WeakPolarHBondContact OD1-CB 3.21Å; N528-E530 WeakPolarHBondContact OD1-CG 3.48Å; N528-E530 PolarHBondContact OD1-N 3.29Å; N528-L531 HydrophobicContact CB-CD1 4.01Å; N528-L531 HydrophobicContact CB-CG 4.14Å; N528-L531 WeakPolarHBondContact O-CB 3.27Å; N528-L531 PolarHBondContact O-N 3.39Å; N528-L531 VanDerWaalsContact O-N 3.1Å; N528-Y547 PolarHBondContact N-OH 3.07Å; N528-Y547 VanDerWaalsContact N-OH 3.14Å
529Y97.8Very high97Very high88 Ų8858.6 Ų58.635%0.34534%0.343SS..G310 helixtrans-64.9-18.4-179.4-80.3-84.1000114.1K497 I516 D517 D520 I527 L531 V532K497-Y529 PolarHBondContact NZ-OH 3.39Å; I516-Y529 HydrophobicContact CG2-CE1 4.05Å; D517-Y529 VanDerWaalsContact OD1-CE1 3.31Å; D517-Y529 WeakPolarHBondContact OD1-CE1 3.24Å; D517-Y529 PolarHBondContact OD1-OH 3.31Å; D520-Y529 HydrophobicContact CB-CE2 4.3Å; I527-Y529 HydrophobicContact CB-CD2 4.27Å; I527-Y529 HydrophobicContact CB-CE2 4.03Å; I527-Y529 HydrophobicContact CG2-CD1 4.18Å; I527-Y529 HydrophobicContact CG2-CD2 3.66Å; I527-Y529 HydrophobicContact CG2-CE1 4.22Å; I527-Y529 HydrophobicContact CG2-CE2 3.68Å; I527-Y529 HydrophobicContact CG2-CG 3.93Å; I527-Y529 PolarHBondContact O-N 3.05Å; Y529-L531 PolarHBondContact O-N 3.21Å; Y529-V532 HydrophobicContact CD1-CG2 4.23Å; Y529-V532 WeakPolarHBondContact O-CB 3.44Å; Y529-V532 PolarHBondContact O-N 3.32Å; Y529-V532 VanDerWaalsContact O-N 3.14Å
530E97.7Very high97Very high173 Ų17360.7 Ų60.781%0.80835%0.352SS*.G310 helixtrans-65.6-20.9173.8-58.7178.5165.900112.3N528N528-E530 PolarHBondContact O-N 3.13Å; N528-E530 VanDerWaalsContact OD1-CB 3.3Å; N528-E530 WeakPolarHBondContact OD1-CB 3.21Å; N528-E530 WeakPolarHBondContact OD1-CG 3.48Å; N528-E530 PolarHBondContact OD1-N 3.29Å
531L96.2Very high97Very high54 Ų5462.1 Ų62.128%0.28336%0.358SS..G310 helixtrans-90.4-6.1178.3-56.4-179.9000113R146 N528 Y529R146-L531 HydrophobicContact CB-CD1 3.95Å; R146-L531 HydrophobicContact CG-CD1 4.23Å; R146-L531 PolarHBondContact NH1-O 3.47Å; R146-L531 VanDerWaalsContact NH1-O 3.08Å; N528-L531 HydrophobicContact CB-CD1 4.01Å; N528-L531 HydrophobicContact CB-CG 4.14Å; N528-L531 WeakPolarHBondContact O-CB 3.27Å; N528-L531 PolarHBondContact O-N 3.39Å; N528-L531 VanDerWaalsContact O-N 3.1Å; Y529-L531 PolarHBondContact O-N 3.21Å
532V98Very high97Very high26 Ų2663.3 Ų63.316%0.15836%0.362CS..  trans-89.5121.9-176.9-178.40000109.2K513 I516 I527 Y529 Y547K513-V532 HydrophobicContact CG-CG1 4.39Å; I516-V532 HydrophobicContact CD1-CG1 3.89Å; I516-V532 HydrophobicContact CD1-CG2 4.1Å; I516-V532 HydrophobicContact CG2-CG2 4.12Å; I527-V532 HydrophobicContact CG2-CG2 4.37Å; Y529-V532 HydrophobicContact CD1-CG2 4.23Å; Y529-V532 WeakPolarHBondContact O-CB 3.44Å; Y529-V532 PolarHBondContact O-N 3.32Å; Y529-V532 VanDerWaalsContact O-N 3.14Å; V532-Y547 HydrophobicContact CG2-CD1 4.26Å; V532-Y547 HydrophobicContact CG2-CE1 4.16Å
533Q98Very high97.1Very high68 Ų6865.6 Ų65.632%0.31837%0.374SS..  trans-76.6158-178.9-59.2-56-32.300111.9G535 E540 D543 N544Q533-G535 PolarHBondContact O-N 3.03Å; Q533-E540 HydrophobicContact CB-CB 3.74Å; Q533-E540 HydrophobicContact CB-CG 3.89Å; Q533-E540 HydrophobicContact CG-CB 4.42Å; Q533-E540 HydrophobicContact CG-CG 4.36Å; Q533-D543 HydrophobicContact CG-CB 4.25Å; Q533-N544 WeakPolarHBondContact CB-OD1 3.24Å; Q533-N544 PolarHBondContact N-OD1 3.15Å; Q533-N544 PolarHBondContact O-ND2 2.89Å
534P96.8Very high97.2Very high85 Ų8564.6 Ų64.655%0.55237%0.369SS*.  trans-55.8-35.9178.1-26.935.9000114.2
535G95.2Very high97.3Very high9 Ų959.7 Ų59.79%0.09334%0.337CS..  trans90.921.1178.900000113.7Q533 E540 K541Q533-G535 PolarHBondContact O-N 3.03Å; G535-E540 PolarHBondContact N-OE2 2.77Å; G535-K541 WeakPolarHBondContact O-CE 3.2Å
536A95.1Very high97.5Very high85 Ų8558.8 Ų58.870%0.70231%0.314SS*.  trans-79.1-32.3-17600000112.9E540A536-E540 PolarHBondContact N-OE2 3.27Å
537T97.7Very high97.7Very high64 Ų6458 Ų5839%0.39331%0.31SS..SBendtrans-110.1159.7179.871.50000111.4E539 E540 K541T537-E539 PolarHBondContact O-N 2.95Å; T537-E540 PolarHBondContact O-N 3.48Å; T537-E540 WeakPolarHBondContact OG1-CG 3.18Å; T537-E540 PolarHBondContact OG1-N 3.05Å; T537-E540 VanDerWaalsContact OG1-N 3.13Å; T537-K541 VanDerWaalsContact O-CG 3.25Å; T537-K541 WeakPolarHBondContact O-CG 3.3Å; T537-K541 PolarHBondContact O-N 2.96Å
538T97.4Very high97.7Very high105 Ų10557.3 Ų57.364%0.64431%0.307SS*.Hα-helixtrans-59-33.8175.1-54.30000112.3M542 V567T538-M542 WeakPolarHBondContact O-CB 3.47Å; T538-M542 PolarHBondContact O-N 3.48Å; T538-V567 HydrophobicContact CG2-CG1 4.44Å
539E98Very high97.8Very high145 Ų14554.3 Ų54.368%0.67829%0.291SS*.Hα-helixtrans-66.4-49.4176.4-174176.2-171.300111.6T537 K541 M542 D543T537-E539 PolarHBondContact O-N 2.95Å; E539-K541 VanDerWaalsContact C-N 3.28Å; E539-K541 PolarHBondContact O-N 3.45Å; E539-M542 WeakPolarHBondContact O-CA 3.29Å; E539-M542 WeakPolarHBondContact O-CB 3.31Å; E539-M542 PolarHBondContact O-N 3.31Å; E539-D543 PolarHBondContact O-N 3.43Å
540E98.5Very high97.8Very high44 Ų4450.2 Ų50.221%0.20628%0.275CS..Hα-helixtrans-60.3-38.5176.2-72.6176.6-168.200112.3Q533 G535 A536 T537 M542 D543 N544Q533-E540 HydrophobicContact CB-CB 3.74Å; Q533-E540 HydrophobicContact CB-CG 3.89Å; Q533-E540 HydrophobicContact CG-CB 4.42Å; Q533-E540 HydrophobicContact CG-CG 4.36Å; G535-E540 PolarHBondContact N-OE2 2.77Å; A536-E540 PolarHBondContact N-OE2 3.27Å; T537-E540 PolarHBondContact O-N 3.48Å; T537-E540 WeakPolarHBondContact OG1-CG 3.18Å; T537-E540 PolarHBondContact OG1-N 3.05Å; T537-E540 VanDerWaalsContact OG1-N 3.13Å; E540-M542 VanDerWaalsContact C-N 3.35Å; E540-D543 PolarHBondContact O-N 3.23Å; E540-N544 PolarHBondContact O-N 3.08Å
541K98.5Very high97.9Very high50 Ų5042 Ų4222%0.21724%0.236CC..Hα-helixtrans-63.2-42.6174.4-68.9-177.9177.5-163.30111.5S510 D511 G535 T537 E539 N544 A545 V567S510-K541 WeakPolarHBondContact O-CB 3.33Å; S510-K541 WeakPolarHBondContact O-CD 3.2Å; S510-K541 PolarHBondContact OG-NZ 3.15Å; D511-K541 HydrophobicContact CB-CG 4.15Å; G535-K541 WeakPolarHBondContact O-CE 3.2Å; T537-K541 VanDerWaalsContact O-CG 3.25Å; T537-K541 WeakPolarHBondContact O-CG 3.3Å; T537-K541 PolarHBondContact O-N 2.96Å; E539-K541 VanDerWaalsContact C-N 3.28Å; E539-K541 PolarHBondContact O-N 3.45Å; K541-N544 PolarHBondContact O-N 3.14Å; K541-A545 WeakPolarHBondContact O-CB 3.22Å; K541-A545 PolarHBondContact O-N 3.34Å; K541-V567 HydrophobicContact CB-CG1 4.13Å; K541-V567 HydrophobicContact CB-CG2 4.09Å
542M98.3Very high98Very high39 Ų3939.5 Ų39.519%0.19222%0.223CC..Hα-helixtrans-63.8-44.8177.1-169.756.867.400111.4T538 E539 E540 N544 A545 K546 P563 E564 V567T538-M542 WeakPolarHBondContact O-CB 3.47Å; T538-M542 PolarHBondContact O-N 3.48Å; E539-M542 WeakPolarHBondContact O-CA 3.29Å; E539-M542 WeakPolarHBondContact O-CB 3.31Å; E539-M542 PolarHBondContact O-N 3.31Å; E540-M542 VanDerWaalsContact C-N 3.35Å; M542-N544 VanDerWaalsContact C-N 3.33Å; M542-N544 PolarHBondContact O-N 2.83Å; M542-A545 PolarHBondContact O-N 3.07Å; M542-A545 VanDerWaalsContact O-N 3.15Å; M542-K546 WeakPolarHBondContact O-CG 3.1Å; M542-K546 PolarHBondContact O-N 2.79Å; M542-P563 HydrophobicContact SD-CB 3.58Å; M542-P563 VanDerWaalsContact SD-CB 3.58Å; M542-E564 HydrophobicContact CE-CB 4.4Å; M542-E564 HydrophobicContact CE-CG 3.79Å; M542-E564 HydrophobicContact SD-CG 4.45Å; M542-V567 HydrophobicContact CE-CB 4.34Å; M542-V567 HydrophobicContact CE-CG2 4.01Å; M542-V567 HydrophobicContact SD-CG2 4.3Å
543D98.3Very high98Very high51 Ų5138.7 Ų38.727%0.27322%0.217SC..Hα-helixtrans-60.7-42.4176.7-75.8-11.2000112R146 Q533 E539 E540 Y547R146-D543 PolarHBondContact NH2-O 2.86Å; Q533-D543 HydrophobicContact CG-CB 4.25Å; E539-D543 PolarHBondContact O-N 3.43Å; E540-D543 PolarHBondContact O-N 3.23Å; D543-Y547 WeakPolarHBondContact O-CB 3.37Å; D543-Y547 PolarHBondContact O-N 3.15Å; D543-Y547 VanDerWaalsContact O-N 3.15Å
544N98.7Very high98Very high0 Ų036 Ų360%020%0.204CC..Hα-helixtrans-65-40.8174.4-74.5-12.1000111.8D511 A512 I516 Q533 E540 K541 M542 Y547 A548D511-N544 WeakPolarHBondContact O-CB 3.28Å; D511-N544 PolarHBondContact O-ND2 2.86Å; D511-N544 VanDerWaalsContact O-ND2 3.15Å; A512-N544 HydrophobicContact CB-CB 4.02Å; I516-N544 HydrophobicContact CD1-CB 4.11Å; Q533-N544 WeakPolarHBondContact CB-OD1 3.24Å; Q533-N544 PolarHBondContact N-OD1 3.15Å; Q533-N544 PolarHBondContact O-ND2 2.89Å; E540-N544 PolarHBondContact O-N 3.08Å; K541-N544 PolarHBondContact O-N 3.14Å; M542-N544 VanDerWaalsContact C-N 3.33Å; M542-N544 PolarHBondContact O-N 2.83Å; N544-Y547 PolarHBondContact O-N 3.02Å; N544-A548 VanDerWaalsContact O-CB 3.28Å; N544-A548 WeakPolarHBondContact O-CB 3.44Å; N544-A548 PolarHBondContact O-N 3.04Å
545A98.6Very high98Very high0 Ų032.3 Ų32.30%018%0.18CC..Hα-helixtrans-67.1-42.2179.800000112.3A512 K541 M542 Y547 A548 I549 P563 I566 V567A512-A545 HydrophobicContact CB-CB 4.09Å; K541-A545 WeakPolarHBondContact O-CB 3.22Å; K541-A545 PolarHBondContact O-N 3.34Å; M542-A545 PolarHBondContact O-N 3.07Å; M542-A545 VanDerWaalsContact O-N 3.15Å; A545-Y547 VanDerWaalsContact C-N 3.32Å; A545-Y547 PolarHBondContact O-N 3.46Å; A545-A548 PolarHBondContact O-N 3.38Å; A545-I549 VanDerWaalsContact O-CG1 3.31Å; A545-I549 WeakPolarHBondContact O-CG1 3.26Å; A545-I549 PolarHBondContact O-N 3.36Å; A545-P563 HydrophobicContact CB-CB 3.81Å; A545-P563 WeakPolarHBondContact CB-O 2.93Å; A545-I566 HydrophobicContact CB-CB 4.22Å; A545-I566 HydrophobicContact CB-CG2 4.38Å; A545-V567 HydrophobicContact CB-CG2 3.83Å
546K98.5Very high98.1Very high48 Ų4832.4 Ų32.421%0.20918%0.181CC..Hα-helixtrans-57.2-46172.6-74.5177.5175.6-171.90111.6E141 M542 S550 P563E141-K546 IonicContact OE2-NZ 2.6Å; E141-K546 PolarHBondContact OE2-NZ 2.9Å; M542-K546 WeakPolarHBondContact O-CG 3.1Å; M542-K546 PolarHBondContact O-N 2.79Å; K546-S550 WeakPolarHBondContact O-CB 3.31Å; K546-S550 PolarHBondContact O-N 3.43Å; K546-S550 VanDerWaalsContact O-N 3.16Å; K546-S550 PolarHBondContact O-OG 2.89Å; K546-P563 HydrophobicContact CB-CG 4.4Å; K546-P563 HydrophobicContact CG-CB 3.98Å; K546-P563 HydrophobicContact CG-CG 3.75Å
547Y98.6Very high98.1Very high4 Ų428.4 Ų28.42%0.01615%0.148CC..Hα-helixtrans-64.2-48.3176.7-173.4-122.7000111.3D144 R146 I516 I527 N528 V532 D543 N544 A545 I549 S550 M551D144-Y547 WeakPolarHBondContact OD2-CA 2.9Å; D144-Y547 PolarHBondContact OD2-N 2.67Å; R146-Y547 HydrophobicContact CB-CD2 3.94Å; R146-Y547 HydrophobicContact CB-CE2 3.95Å; I516-Y547 HydrophobicContact CD1-CD1 4.45Å; I527-Y547 HydrophobicContact CD1-CE1 4.21Å; I527-Y547 HydrophobicContact CG2-CE1 4.26Å; N528-Y547 PolarHBondContact N-OH 3.07Å; N528-Y547 VanDerWaalsContact N-OH 3.14Å; V532-Y547 HydrophobicContact CG2-CD1 4.26Å; V532-Y547 HydrophobicContact CG2-CE1 4.16Å; D543-Y547 WeakPolarHBondContact O-CB 3.37Å; D543-Y547 PolarHBondContact O-N 3.15Å; D543-Y547 VanDerWaalsContact O-N 3.15Å; N544-Y547 PolarHBondContact O-N 3.02Å; A545-Y547 VanDerWaalsContact C-N 3.32Å; A545-Y547 PolarHBondContact O-N 3.46Å; Y547-I549 PolarHBondContact O-N 3.5Å; Y547-S550 PolarHBondContact O-N 3.47Å; Y547-M551 HydrophobicContact CD1-CG 4.27Å; Y547-M551 HydrophobicContact CD2-CG 3.86Å; Y547-M551 HydrophobicContact CD2-SD 4.43Å; Y547-M551 HydrophobicContact CE1-CG 4Å; Y547-M551 HydrophobicContact CE2-CG 3.54Å; Y547-M551 HydrophobicContact CE2-SD 3.71Å; Y547-M551 HydrophobicContact CG-CG 4.2Å; Y547-M551 WeakPolarHBondContact O-CB 3.37Å; Y547-M551 VanDerWaalsContact O-CG 3.23Å; Y547-M551 WeakPolarHBondContact O-CG 3.23Å; Y547-M551 PolarHBondContact O-N 3.4Å
548A98.6Very high98Very high0 Ų028.6 Ų28.60%014%0.143CC..Hα-helixtrans-58.1-47.1179.800000112.6A512 V515 I516 I519 N544 A545 S550 M551 A552A512-A548 HydrophobicContact CB-CB 4.09Å; V515-A548 HydrophobicContact CB-CB 4.39Å; V515-A548 HydrophobicContact CG1-CB 4.12Å; I516-A548 HydrophobicContact CD1-CB 4.39Å; I516-A548 HydrophobicContact CG1-CB 3.73Å; I519-A548 HydrophobicContact CD1-CB 4.49Å; I519-A548 VanDerWaalsContact CD1-O 3.24Å; I519-A548 WeakPolarHBondContact CD1-O 3.42Å; N544-A548 VanDerWaalsContact O-CB 3.28Å; N544-A548 WeakPolarHBondContact O-CB 3.44Å; N544-A548 PolarHBondContact O-N 3.04Å; A545-A548 PolarHBondContact O-N 3.38Å; A548-S550 PolarHBondContact O-N 2.87Å; A548-M551 PolarHBondContact O-N 3.2Å; A548-A552 WeakPolarHBondContact O-CB 3.37Å; A548-A552 PolarHBondContact O-N 3.08Å
549I98.6Very high97.9Very high3 Ų323.8 Ų23.82%0.01511%0.114CC..Hα-helixtrans-61.4-45.4178.2-69.1-64.8000110.8A545 Y547 A552 R553 V559 A561 P563 I566 V577A545-I549 VanDerWaalsContact O-CG1 3.31Å; A545-I549 WeakPolarHBondContact O-CG1 3.26Å; A545-I549 PolarHBondContact O-N 3.36Å; Y547-I549 PolarHBondContact O-N 3.5Å; I549-A552 PolarHBondContact O-N 2.8Å; I549-R553 WeakPolarHBondContact O-CG 3.26Å; I549-R553 PolarHBondContact O-N 3.36Å; I549-V559 HydrophobicContact CD1-CG1 3.64Å; I549-A561 HydrophobicContact CD1-CB 4.31Å; I549-A561 WeakPolarHBondContact CD1-O 3.3Å; I549-P563 HydrophobicContact CG1-CG 4.39Å; I549-I566 HydrophobicContact CD1-CD1 3.68Å; I549-I566 HydrophobicContact CG1-CD1 3.99Å; I549-V577 HydrophobicContact CD1-CG2 4.47Å
550S98.8Very high97.8Very high2 Ų217.4 Ų17.41%0.0148%0.083CC..Hα-helixtrans-66.2-40.6179.3-58.90000111.7D144 L164 K546 Y547 A548 R553 K554D144-S550 VanDerWaalsContact CB-OG 3.28Å; D144-S550 WeakPolarHBondContact CB-OG 3.18Å; D144-S550 PolarHBondContact N-OG 3.29Å; L164-S550 WeakPolarHBondContact CD1-O 3.31Å; K546-S550 WeakPolarHBondContact O-CB 3.31Å; K546-S550 PolarHBondContact O-N 3.43Å; K546-S550 VanDerWaalsContact O-N 3.16Å; K546-S550 PolarHBondContact O-OG 2.89Å; Y547-S550 PolarHBondContact O-N 3.47Å; A548-S550 PolarHBondContact O-N 2.87Å; S550-R553 PolarHBondContact O-N 3.13Å; S550-K554 WeakPolarHBondContact O-CB 3.1Å; S550-K554 PolarHBondContact O-N 2.95Å
551M98.7Very high97.7Very high1 Ų115.3 Ų15.31%0.0057%0.074CC..Hα-helixtrans-69.3-37177.1-67.3-53.6-67.400112.4A147 I519 I526 I527 Y547 A548 R553 K554 I555A147-M551 HydrophobicContact CB-SD 3.66Å; I519-M551 HydrophobicContact CD1-CB 4.18Å; I519-M551 HydrophobicContact CG2-CB 4.23Å; I526-M551 HydrophobicContact CB-CE 4.43Å; I526-M551 HydrophobicContact CD1-CE 4.41Å; I526-M551 HydrophobicContact CG1-CE 3.7Å; I526-M551 HydrophobicContact CG2-CE 4.36Å; I526-M551 WeakPolarHBondContact O-CE 3.32Å; I527-M551 HydrophobicContact CD1-CB 3.8Å; I527-M551 HydrophobicContact CD1-CE 3.97Å; I527-M551 HydrophobicContact CD1-CG 3.83Å; Y547-M551 HydrophobicContact CD1-CG 4.27Å; Y547-M551 HydrophobicContact CD2-CG 3.86Å; Y547-M551 HydrophobicContact CD2-SD 4.43Å; Y547-M551 HydrophobicContact CE1-CG 4Å; Y547-M551 HydrophobicContact CE2-CG 3.54Å; Y547-M551 HydrophobicContact CE2-SD 3.71Å; Y547-M551 HydrophobicContact CG-CG 4.2Å; Y547-M551 WeakPolarHBondContact O-CB 3.37Å; Y547-M551 VanDerWaalsContact O-CG 3.23Å; Y547-M551 WeakPolarHBondContact O-CG 3.23Å; Y547-M551 PolarHBondContact O-N 3.4Å; A548-M551 PolarHBondContact O-N 3.2Å; M551-R553 VanDerWaalsContact C-N 3.34Å; M551-R553 PolarHBondContact O-N 2.72Å; M551-K554 HydrophobicContact CE-CD 3.89Å; M551-K554 WeakPolarHBondContact O-CB 3.18Å; M551-K554 PolarHBondContact O-N 3.44Å; M551-K554 HydrophobicContact SD-CD 3.87Å; M551-I555 PolarHBondContact O-N 3.06Å
552A98.7Very high97.6Very high0 Ų014.9 Ų14.90%07%0.073CC..Hα-helixtrans-59.4-45.7171.500000111I519 A548 I549 I555 G556 A557 V559 L581I519-A552 HydrophobicContact CD1-CB 3.94Å; I519-A552 HydrophobicContact CG1-CB 4.33Å; A548-A552 WeakPolarHBondContact O-CB 3.37Å; A548-A552 PolarHBondContact O-N 3.08Å; I549-A552 PolarHBondContact O-N 2.8Å; A552-I555 WeakPolarHBondContact O-CG1 3.41Å; A552-I555 PolarHBondContact O-N 3.04Å; A552-G556 PolarHBondContact O-N 3.26Å; A552-A557 HydrophobicContact CB-CB 4.25Å; A552-A557 VanDerWaalsContact O-CB 3.25Å; A552-A557 WeakPolarHBondContact O-CB 3.5Å; A552-A557 PolarHBondContact O-N 3.19Å; A552-V559 HydrophobicContact CB-CG2 3.9Å; A552-L581 HydrophobicContact CB-CD2 3.99Å
553R98.4Very high97.5Very high9 Ų913.8 Ų13.83%0.0347%0.07CC..Hα-helixtrans-63.7-41.1174.5-70.5176.3-171.9153.45.8111.8T142 L164 N167 S168 A171 I549 S550 M551 I555 G556 V559T142-R553 PolarHBondContact O-NH1 3.32Å; L164-R553 HydrophobicContact CD1-CB 4Å; N167-R553 HydrophobicContact CB-CB 3.76Å; N167-R553 HydrophobicContact CB-CG 3.99Å; N167-R553 PolarHBondContact ND2-O 3.33Å; S168-R553 WeakPolarHBondContact OG-CD 3.47Å; A171-R553 VanDerWaalsContact CB-CZ 3.49Å; A171-R553 VanDerWaalsContact CB-NH2 3.35Å; I549-R553 WeakPolarHBondContact O-CG 3.26Å; I549-R553 PolarHBondContact O-N 3.36Å; S550-R553 PolarHBondContact O-N 3.13Å; M551-R553 VanDerWaalsContact C-N 3.34Å; M551-R553 PolarHBondContact O-N 2.72Å; R553-I555 PolarHBondContact O-N 3.25Å; R553-G556 PolarHBondContact O-N 3.04Å; R553-G556 VanDerWaalsContact O-N 3.07Å; R553-V559 PolarHBondContact NE-O 3.18Å
554K98.1Very high97.5Very high12 Ų1214 Ų145%0.0527%0.069CC..Hα-helixtrans-59.5-43.2178.3-173.1179.3-175172.20112.3A147 N149 E160 T163 L164 I526 S550 M551 G556A147-K554 WeakPolarHBondContact O-CD 3.49Å; A147-K554 WeakPolarHBondContact O-CE 3.47Å; A147-K554 PolarHBondContact O-NZ 3.23Å; N149-K554 WeakPolarHBondContact ND2-CE 3.44Å; N149-K554 PolarHBondContact ND2-NZ 3.17Å; N149-K554 PolarHBondContact OD1-NZ 3.32Å; E160-K554 HydrophobicContact CB-CG 4.06Å; E160-K554 WeakPolarHBondContact OE2-CE 3.46Å; E160-K554 IonicContact OE2-NZ 3.53Å; T163-K554 WeakPolarHBondContact CG2-O 3.43Å; L164-K554 HydrophobicContact CB-CB 4.21Å; L164-K554 HydrophobicContact CB-CG 4.39Å; L164-K554 HydrophobicContact CD1-CB 4.33Å; I526-K554 HydrophobicContact CD1-CD 4.49Å; S550-K554 WeakPolarHBondContact O-CB 3.1Å; S550-K554 PolarHBondContact O-N 2.95Å; M551-K554 HydrophobicContact CE-CD 3.89Å; M551-K554 WeakPolarHBondContact O-CB 3.18Å; M551-K554 PolarHBondContact O-N 3.44Å; M551-K554 HydrophobicContact SD-CD 3.87Å; K554-G556 PolarHBondContact O-N 3.11Å
555I97.1Very high97.4Very high7 Ų714.6 Ų14.64%0.0367%0.072CC..Hα-helixtrans-72.2-18.8177.564.8160.7000112.5I519 I522 Q523 I526 M551 A552 R553 L581 R584I519-I555 HydrophobicContact CG2-CD1 4.09Å; I519-I555 HydrophobicContact CG2-CG1 4.47Å; I519-I555 HydrophobicContact CG2-CG2 4.07Å; I522-I555 HydrophobicContact CB-CD1 4.37Å; I522-I555 HydrophobicContact CD1-CD1 4.45Å; I522-I555 HydrophobicContact CG2-CD1 4.11Å; Q523-I555 HydrophobicContact CB-CG2 4.07Å; I526-I555 HydrophobicContact CB-CG2 4.44Å; I526-I555 HydrophobicContact CG1-CG2 3.86Å; I526-I555 HydrophobicContact CG2-CG2 4.02Å; M551-I555 PolarHBondContact O-N 3.06Å; A552-I555 WeakPolarHBondContact O-CG1 3.41Å; A552-I555 PolarHBondContact O-N 3.04Å; R553-I555 PolarHBondContact O-N 3.25Å; I555-L581 HydrophobicContact CD1-CD2 3.99Å; I555-R584 HydrophobicContact CD1-CG 4.09Å; I555-R584 HydrophobicContact CG1-CG 4.32Å; I555-R584 WeakPolarHBondContact O-CD 3.49Å; I555-R584 PolarHBondContact O-NE 3.46Å; I555-R584 PolarHBondContact O-NH2 3.31Å
556G95.8Very high97.4Very high11 Ų1114.7 Ų14.711%0.1137%0.072CC..THydrogen-bonded Turntrans120.81.7177.600000115.4N167 A552 R553 K554N167-G556 WeakPolarHBondContact ND2-CA 3.16Å; A552-G556 PolarHBondContact O-N 3.26Å; R553-G556 PolarHBondContact O-N 3.04Å; R553-G556 VanDerWaalsContact O-N 3.07Å; K554-G556 PolarHBondContact O-N 3.11Å
557A96.6Very high97.4Very high1 Ų113.1 Ų13.11%0.0087%0.067CC..  trans-73.3133.3178.700000111A552 V559 C580 L581 R584A552-A557 HydrophobicContact CB-CB 4.25Å; A552-A557 VanDerWaalsContact O-CB 3.25Å; A552-A557 WeakPolarHBondContact O-CB 3.5Å; A552-A557 PolarHBondContact O-N 3.19Å; A557-V559 VanDerWaalsContact C-N 3.26Å; A557-V559 HydrophobicContact CB-CG2 3.92Å; A557-V559 PolarHBondContact O-N 3.46Å; A557-C580 HydrophobicContact CB-CB 4.36Å; A557-L581 HydrophobicContact CB-CD2 4.03Å; A557-R584 HydrophobicContact CB-CB 4.2Å
558K94.7Very high97.3Very high69 Ų6917 Ų1730%0.39%0.085SC..  trans-85.561.5-175.2-51.9-171.8178.8169.80111.4C580K558-C580 PolarHBondContact O-SG 2.66Å
559V96.6Very high97.2Very high3 Ų317.5 Ų17.52%0.0189%0.089CC..  trans-85.5120.9-172.2-177.20000112.1I549 A552 R553 A557 A561 V577 C580I549-V559 HydrophobicContact CD1-CG1 3.64Å; A552-V559 HydrophobicContact CB-CG2 3.9Å; R553-V559 PolarHBondContact NE-O 3.18Å; A557-V559 VanDerWaalsContact C-N 3.26Å; A557-V559 HydrophobicContact CB-CG2 3.92Å; A557-V559 PolarHBondContact O-N 3.46Å; V559-A561 HydrophobicContact CG1-CB 3.94Å; V559-V577 HydrophobicContact CG1-CG2 4.03Å; V559-C580 HydrophobicContact CG2-CB 3.91Å
560Y95.8Very high97.1Very high11 Ų1121.6 Ų21.64%0.04311%0.106CC..  trans-96.8-17.3171.6-65.5-80.9000113.9R170 W366 S369 M461 Y464R170-Y560 WeakPolarHBondContact CD-OH 3.45Å; R170-Y560 HydrophobicContact CG-CE1 3.65Å; R170-Y560 VanDerWaalsContact CG-OH 3.28Å; R170-Y560 WeakPolarHBondContact CG-OH 3.5Å; W366-Y560 HydrophobicContact CB-CD1 4Å; W366-Y560 HydrophobicContact CB-CE1 3.92Å; W366-Y560 HydrophobicContact CB-CE2 4.45Å; W366-Y560 HydrophobicContact CB-CG 4.31Å; W366-Y560 AromaticContact CD1-CE2 3.57Å; W366-Y560 AromaticContact CD1-CZ 3.57Å; W366-Y560 HydrophobicContact CG-CE2 4.33Å; S369-Y560 WeakPolarHBondContact OG-CE1 3.37Å; S369-Y560 PolarHBondContact OG-OH 2.69Å; M461-Y560 HydrophobicContact CE-CD2 3.8Å; M461-Y560 HydrophobicContact CE-CG 3.89Å; Y464-Y560 HydrophobicContact CE1-CE2 4.4Å
561A95.9Very high97Very high0 Ų023.8 Ų23.80%012%0.12CC..  trans-57146.2177.200000111.3I549 V559 D565 M573 V577I549-A561 HydrophobicContact CD1-CB 4.31Å; I549-A561 WeakPolarHBondContact CD1-O 3.3Å; V559-A561 HydrophobicContact CG1-CB 3.94Å; A561-D565 HydrophobicContact CB-CB 4.45Å; A561-M573 HydrophobicContact CB-CB 4.33Å; A561-M573 HydrophobicContact CB-CE 3.82Å; A561-V577 HydrophobicContact CB-CG2 3.46Å; A561-V577 VanDerWaalsContact CB-CG2 3.46Å
562L95.9Very high96.8Very high41 Ų4128.1 Ų28.122%0.21514%0.139CC..  trans-93.6157.9176.1-57.2178.8000110.3R358 E564 D565R358-L562 HydrophobicContact CB-CD1 4.02Å; R358-L562 HydrophobicContact CG-CD1 4.2Å; L562-E564 VanDerWaalsContact CB-OE2 3.3Å; L562-E564 WeakPolarHBondContact CB-OE2 3.44Å; L562-E564 PolarHBondContact O-N 3.16Å; L562-D565 PolarHBondContact N-OD2 2.68Å; L562-D565 WeakPolarHBondContact O-CB 3.39Å; L562-D565 PolarHBondContact O-N 3.39Å
563P97.4Very high96.6Very high17 Ų1728.9 Ų28.911%0.1114%0.143CC..Hα-helixtrans-51.3-39.9175.2-29.838.5000113.2M542 A545 K546 I549 D565 I566 V567M542-P563 HydrophobicContact SD-CB 3.58Å; M542-P563 VanDerWaalsContact SD-CB 3.58Å; A545-P563 HydrophobicContact CB-CB 3.81Å; A545-P563 WeakPolarHBondContact CB-O 2.93Å; K546-P563 HydrophobicContact CB-CG 4.4Å; K546-P563 HydrophobicContact CG-CB 3.98Å; K546-P563 HydrophobicContact CG-CG 3.75Å; I549-P563 HydrophobicContact CG1-CG 4.39Å; P563-D565 VanDerWaalsContact C-N 3.27Å; P563-D565 PolarHBondContact O-N 3.33Å; P563-I566 PolarHBondContact O-N 3.35Å; P563-I566 VanDerWaalsContact O-N 3.16Å; P563-V567 PolarHBondContact O-N 2.79Å; P563-V567 VanDerWaalsContact O-N 3.15Å
564E97.3Very high96.6Very high56 Ų5628.5 Ų28.526%0.26214%0.141SC..Hα-helixtrans-62.4-32.4179.1-59.973.1-169.500112.7M542 L562 I566 V567 E568M542-E564 HydrophobicContact CE-CB 4.4Å; M542-E564 HydrophobicContact CE-CG 3.79Å; M542-E564 HydrophobicContact SD-CG 4.45Å; L562-E564 VanDerWaalsContact CB-OE2 3.3Å; L562-E564 WeakPolarHBondContact CB-OE2 3.44Å; L562-E564 PolarHBondContact O-N 3.16Å; E564-I566 VanDerWaalsContact C-N 3.25Å; E564-I566 PolarHBondContact O-N 3.49Å; E564-V567 PolarHBondContact O-N 3.29Å; E564-E568 VanDerWaalsContact O-CB 3.27Å; E564-E568 WeakPolarHBondContact O-CB 3.48Å; E564-E568 WeakPolarHBondContact O-CG 3.41Å; E564-E568 PolarHBondContact O-N 2.9Å
565D96.8Very high96.5Very high12 Ų1228.1 Ų28.16%0.06414%0.14CC..Hα-helixtrans-64.5-33.5178.3-67.6-44.5000112A561 L562 P563 C569 K570 M573A561-D565 HydrophobicContact CB-CB 4.45Å; L562-D565 PolarHBondContact N-OD2 2.68Å; L562-D565 WeakPolarHBondContact O-CB 3.39Å; L562-D565 PolarHBondContact O-N 3.39Å; P563-D565 VanDerWaalsContact C-N 3.27Å; P563-D565 PolarHBondContact O-N 3.33Å; D565-C569 PolarHBondContact O-N 3.18Å; D565-K570 HydrophobicContact CB-CB 4.36Å; D565-K570 PolarHBondContact O-N 3.36Å; D565-M573 HydrophobicContact CB-CB 3.64Å; D565-M573 HydrophobicContact CB-CG 4.23Å
566I98.1Very high96.5Very high1 Ų127.9 Ų27.91%0.00514%0.139CC..Hα-helixtrans-73.4-51.1175.3-63.5178.1000109.5V509 S510 A512 V515 A545 I549 P563 E564 E568 C569V509-I566 HydrophobicContact CG1-CG2 4Å; V509-I566 VanDerWaalsContact O-CG2 3.29Å; V509-I566 WeakPolarHBondContact O-CG2 3.47Å; S510-I566 WeakPolarHBondContact CA-O 3.34Å; A512-I566 HydrophobicContact CB-CG2 3.77Å; V515-I566 HydrophobicContact CG2-CD1 4.5Å; A545-I566 HydrophobicContact CB-CB 4.22Å; A545-I566 HydrophobicContact CB-CG2 4.38Å; I549-I566 HydrophobicContact CD1-CD1 3.68Å; I549-I566 HydrophobicContact CG1-CD1 3.99Å; P563-I566 PolarHBondContact O-N 3.35Å; P563-I566 VanDerWaalsContact O-N 3.16Å; E564-I566 VanDerWaalsContact C-N 3.25Å; E564-I566 PolarHBondContact O-N 3.49Å; I566-E568 VanDerWaalsContact C-N 3.3Å; I566-E568 PolarHBondContact O-N 3.08Å; I566-C569 PolarHBondContact O-N 3.29Å
567V98.1Very high96.6Very high16 Ų1627.5 Ų27.510%0.09713%0.134CC..Hα-helixtrans-61.1-39.6-177.11780000111.9S510 T538 K541 M542 A545 P563 E564 C569S510-V567 VanDerWaalsContact CB-O 3.3Å; S510-V567 WeakPolarHBondContact CB-O 3.45Å; T538-V567 HydrophobicContact CG2-CG1 4.44Å; K541-V567 HydrophobicContact CB-CG1 4.13Å; K541-V567 HydrophobicContact CB-CG2 4.09Å; M542-V567 HydrophobicContact CE-CB 4.34Å; M542-V567 HydrophobicContact CE-CG2 4.01Å; M542-V567 HydrophobicContact SD-CG2 4.3Å; A545-V567 HydrophobicContact CB-CG2 3.83Å; P563-V567 PolarHBondContact O-N 2.79Å; P563-V567 VanDerWaalsContact O-N 3.15Å; E564-V567 PolarHBondContact O-N 3.29Å; V567-C569 VanDerWaalsContact C-N 3.3Å
568E97.5Very high96.7Very high86 Ų8627.4 Ų27.440%0.40213%0.134SC..THydrogen-bonded Turntrans-85.73.3177.2-64.3176.8-154.500113.7R358 E564 I566 K570R358-E568 IonicContact CZ-OE1 2.6Å; R358-E568 IonicContact CZ-OE2 2.62Å; R358-E568 IonicContact NH1-OE1 3.84Å; R358-E568 PolarHBondContact NH1-OE1 3.39Å; R358-E568 IonicContact NH1-OE2 2.79Å; R358-E568 IonicContact NH2-OE1 3.12Å; R358-E568 PolarHBondContact NH2-OE1 3.44Å; R358-E568 IonicContact NH2-OE2 3.67Å; R358-E568 PolarHBondContact NH2-OE2 3.42Å; E564-E568 VanDerWaalsContact O-CB 3.27Å; E564-E568 WeakPolarHBondContact O-CB 3.48Å; E564-E568 WeakPolarHBondContact O-CG 3.41Å; E564-E568 PolarHBondContact O-N 2.9Å; I566-E568 VanDerWaalsContact C-N 3.3Å; I566-E568 PolarHBondContact O-N 3.08Å; E568-K570 VanDerWaalsContact C-N 3.31Å; E568-K570 HydrophobicContact CB-CD 4.48Å; E568-K570 HydrophobicContact CB-CG 4.26Å; E568-K570 PolarHBondContact O-N 3.45Å; E568-K570 WeakPolarHBondContact OE2-CE 3.44Å; E568-K570 IonicContact OE2-NZ 3.54Å; E568-K570 PolarHBondContact OE2-NZ 3.06Å; E568-K570 VanDerWaalsContact OE2-NZ 3.16Å
569C97.1Very high96.8Very high10 Ų1024.2 Ų24.27%0.06812%0.12CC..THydrogen-bonded Turntrans50.944.2-179.1-64.60000113.6Q507 S510 D565 I566 V567 P571Q507-C569 PolarHBondContact OE1-SG 2.84Å; S510-C569 VanDerWaalsContact CB-SG 3.58Å; D565-C569 PolarHBondContact O-N 3.18Å; I566-C569 PolarHBondContact O-N 3.29Å; V567-C569 VanDerWaalsContact C-N 3.3Å; C569-P571 WeakPolarHBondContact O-CD 3.48Å; C569-P571 VanDerWaalsContact O-N 3.07Å
570K96.1Very high96.8Very high89 Ų8924.7 Ų24.739%0.38712%0.123SC..  trans-67.9106178.9-64.6-62.1-178.8-170.30109.4D565 E568 K572 M573 V574D565-K570 HydrophobicContact CB-CB 4.36Å; D565-K570 PolarHBondContact O-N 3.36Å; E568-K570 VanDerWaalsContact C-N 3.31Å; E568-K570 HydrophobicContact CB-CD 4.48Å; E568-K570 HydrophobicContact CB-CG 4.26Å; E568-K570 PolarHBondContact O-N 3.45Å; E568-K570 WeakPolarHBondContact OE2-CE 3.44Å; E568-K570 IonicContact OE2-NZ 3.54Å; E568-K570 PolarHBondContact OE2-NZ 3.06Å; E568-K570 VanDerWaalsContact OE2-NZ 3.16Å; K570-K572 VanDerWaalsContact C-N 3.29Å; K570-K572 PolarHBondContact O-N 3.32Å; K570-K572 VanDerWaalsContact O-N 3.13Å; K570-M573 HydrophobicContact CB-CB 4.3Å; K570-M573 PolarHBondContact O-N 3.44Å; K570-V574 WeakPolarHBondContact O-CB 3.41Å; K570-V574 WeakPolarHBondContact O-CG2 3.5Å; K570-V574 PolarHBondContact O-N 3.14Å
571P95.5Very high96.9Very high47 Ų4724.1 Ų24.131%0.30512%0.121SC..Hα-helixtrans-64.2-34.1-162.923.2-33.8000113.7F504 Q505 C569 M575F504-P571 HydrophobicContact CB-CB 4.4Å; F504-P571 WeakPolarHBondContact O-CA 3.47Å; Q505-P571 HydrophobicContact CG-CB 3.54Å; Q505-P571 HydrophobicContact CG-CG 3.89Å; C569-P571 WeakPolarHBondContact O-CD 3.48Å; C569-P571 VanDerWaalsContact O-N 3.07Å; P571-M575 VanDerWaalsContact O-CB 3.28Å; P571-M575 WeakPolarHBondContact O-CB 3.35Å; P571-M575 PolarHBondContact O-N 2.88Å
572K94.7Very high97Very high93 Ų9324.7 Ų24.740%0.40412%0.124SC..Hα-helixtrans-58.6-53.1174.3-74.1-177.4174.8-175.50111.1W458 K570 M575 T576W458-K572 HydrophobicContact CD2-CB 4.46Å; W458-K572 HydrophobicContact CD2-CD 3.73Å; W458-K572 HydrophobicContact CD2-CG 4.29Å; W458-K572 HydrophobicContact CE3-CB 4.35Å; W458-K572 HydrophobicContact CE3-CD 4.25Å; W458-K572 HydrophobicContact CG-CD 4.11Å; W458-K572 HydrophobicContact CH2-CB 3.46Å; W458-K572 VanDerWaalsContact CH2-CB 3.46Å; W458-K572 HydrophobicContact CH2-CD 4.42Å; W458-K572 HydrophobicContact CH2-CG 3.98Å; W458-K572 WeakPolarHBondContact CH2-O 3.44Å; W458-K572 HydrophobicContact CZ2-CB 3.54Å; W458-K572 HydrophobicContact CZ2-CD 3.89Å; W458-K572 HydrophobicContact CZ2-CG 3.48Å; W458-K572 VanDerWaalsContact CZ2-CG 3.48Å; W458-K572 HydrophobicContact CZ3-CB 3.88Å; K570-K572 VanDerWaalsContact C-N 3.29Å; K570-K572 PolarHBondContact O-N 3.32Å; K570-K572 VanDerWaalsContact O-N 3.13Å; K572-M575 PolarHBondContact O-N 3.15Å; K572-T576 WeakPolarHBondContact O-CG2 3.1Å; K572-T576 PolarHBondContact O-N 3.38Å
573M95.5Very high96.9Very high15 Ų1523 Ų237%0.07412%0.116CC..Hα-helixtrans-73.1-40.7-176.9-65.4-50.1-64.400111.7T362 W458 M461 A561 D565 K570 M575 T576 V577T362-M573 HydrophobicContact CG2-CE 3.72Å; W458-M573 HydrophobicContact CZ3-SD 4.37Å; M461-M573 HydrophobicContact CE-CE 4.43Å; A561-M573 HydrophobicContact CB-CB 4.33Å; A561-M573 HydrophobicContact CB-CE 3.82Å; D565-M573 HydrophobicContact CB-CB 3.64Å; D565-M573 HydrophobicContact CB-CG 4.23Å; K570-M573 HydrophobicContact CB-CB 4.3Å; K570-M573 PolarHBondContact O-N 3.44Å; M573-M575 VanDerWaalsContact C-N 3.33Å; M573-M575 PolarHBondContact O-N 2.96Å; M573-T576 PolarHBondContact O-N 2.77Å; M573-T576 PolarHBondContact O-OG1 3.09Å; M573-V577 PolarHBondContact O-N 3.23Å
574V97.7Very high96.7Very high1 Ų123.2 Ų23.21%0.00611%0.114CC..Hα-helixtrans-54.7-49.1172.3171.10000110.6F504 V509 K570 T576 V577 F578F504-V574 HydrophobicContact CB-CG1 4.15Å; F504-V574 HydrophobicContact CD1-CG1 4.16Å; V509-V574 HydrophobicContact CG1-CG1 3.88Å; V509-V574 HydrophobicContact CG1-CG2 3.98Å; V509-V574 HydrophobicContact CG2-CG1 4.26Å; K570-V574 WeakPolarHBondContact O-CB 3.41Å; K570-V574 WeakPolarHBondContact O-CG2 3.5Å; K570-V574 PolarHBondContact O-N 3.14Å; V574-T576 VanDerWaalsContact C-N 3.26Å; V574-T576 PolarHBondContact O-N 3.43Å; V574-V577 WeakPolarHBondContact O-CB 3.4Å; V574-V577 PolarHBondContact O-N 3.06Å; V574-F578 HydrophobicContact CG1-CD2 3.89Å; V574-F578 HydrophobicContact CG1-CE2 3.72Å; V574-F578 VanDerWaalsContact O-CD2 3.32Å; V574-F578 WeakPolarHBondContact O-CD2 3.43Å; V574-F578 PolarHBondContact O-N 3.03Å
575M96.8Very high96.6Very high4 Ų422.8 Ų22.82%0.0211%0.114CC..Hα-helixtrans-55.1-41.9175.9179.7-78.6-6200111.9W458 R462 I484 F504 P571 K572 M573 V577 F578 A579W458-M575 HydrophobicContact CH2-CE 3.86Å; W458-M575 HydrophobicContact CZ2-CE 4.13Å; R462-M575 HydrophobicContact CG-CE 3.99Å; I484-M575 HydrophobicContact CD1-SD 4.25Å; F504-M575 HydrophobicContact CB-CB 4.32Å; F504-M575 HydrophobicContact CD1-CB 4.17Å; F504-M575 HydrophobicContact CD2-CB 3.64Å; F504-M575 HydrophobicContact CD2-CG 3.74Å; F504-M575 HydrophobicContact CE1-CB 4.42Å; F504-M575 HydrophobicContact CE2-CB 3.92Å; F504-M575 HydrophobicContact CE2-CG 3.52Å; F504-M575 HydrophobicContact CG-CB 3.78Å; F504-M575 HydrophobicContact CG-CG 4.33Å; F504-M575 HydrophobicContact CZ-CB 4.31Å; F504-M575 HydrophobicContact CZ-CG 3.95Å; P571-M575 VanDerWaalsContact O-CB 3.28Å; P571-M575 WeakPolarHBondContact O-CB 3.35Å; P571-M575 PolarHBondContact O-N 2.88Å; K572-M575 PolarHBondContact O-N 3.15Å; M573-M575 VanDerWaalsContact C-N 3.33Å; M573-M575 PolarHBondContact O-N 2.96Å; M575-V577 VanDerWaalsContact C-N 3.33Å; M575-V577 PolarHBondContact O-N 3Å; M575-F578 PolarHBondContact O-N 3.37Å; M575-A579 WeakPolarHBondContact O-CB 3.35Å; M575-A579 PolarHBondContact O-N 3.32Å; M575-A579 HydrophobicContact SD-CB 4.3Å
576T96.5Very high96.2Very high3 Ų327 Ų272%0.01813%0.13CC..Hα-helixtrans-65-33.8177.267.60000113.4W458 K572 M573 V574 A579 C580W458-T576 HydrophobicContact CH2-CG2 3.97Å; W458-T576 HydrophobicContact CZ3-CG2 4.06Å; K572-T576 WeakPolarHBondContact O-CG2 3.1Å; K572-T576 PolarHBondContact O-N 3.38Å; M573-T576 PolarHBondContact O-N 2.77Å; M573-T576 PolarHBondContact O-OG1 3.09Å; V574-T576 VanDerWaalsContact C-N 3.26Å; V574-T576 PolarHBondContact O-N 3.43Å; T576-A579 PolarHBondContact O-N 3.14Å; T576-C580 WeakPolarHBondContact O-CB 3.41Å; T576-C580 PolarHBondContact O-N 3.16Å; T576-C580 PolarHBondContact O-SG 3.39Å
577V98Very high95.5Very high2 Ų229.8 Ų29.81%0.01214%0.143CC..Hα-helixtrans-60.6-51.6174.4175.90000110V515 I549 V559 A561 M573 V574 M575 A579 C580 L581V515-V577 HydrophobicContact CG1-CG1 3.84Å; I549-V577 HydrophobicContact CD1-CG2 4.47Å; V559-V577 HydrophobicContact CG1-CG2 4.03Å; A561-V577 HydrophobicContact CB-CG2 3.46Å; A561-V577 VanDerWaalsContact CB-CG2 3.46Å; M573-V577 PolarHBondContact O-N 3.23Å; V574-V577 WeakPolarHBondContact O-CB 3.4Å; V574-V577 PolarHBondContact O-N 3.06Å; M575-V577 VanDerWaalsContact C-N 3.33Å; M575-V577 PolarHBondContact O-N 3Å; V577-A579 PolarHBondContact O-N 3.25Å; V577-C580 PolarHBondContact O-N 3.26Å; V577-L581 HydrophobicContact CG1-CD1 4.09Å; V577-L581 WeakPolarHBondContact O-CG 3.47Å; V577-L581 PolarHBondContact O-N 3.2Å
578F98.2Very high94Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-63.5-40.5178.7-76.4-88000112.2I484 A488 I501 F504 V509 V514 V515 L518 V574 M575 C580 L581 M582I484-F578 HydrophobicContact CG2-CB 3.75Å; A488-F578 HydrophobicContact CB-CD1 3.63Å; A488-F578 HydrophobicContact CB-CE1 3.94Å; I501-F578 HydrophobicContact CD1-CD1 4.4Å; I501-F578 HydrophobicContact CD1-CD2 4.37Å; I501-F578 HydrophobicContact CD1-CE1 3.81Å; I501-F578 HydrophobicContact CD1-CE2 3.8Å; I501-F578 HydrophobicContact CD1-CZ 3.48Å; I501-F578 VanDerWaalsContact CD1-CZ 3.48Å; I501-F578 HydrophobicContact CG1-CZ 4.34Å; F504-F578 HydrophobicContact CD1-CD2 4.05Å; F504-F578 HydrophobicContact CE1-CB 3.95Å; F504-F578 AromaticContact CE1-CD2 4Å; F504-F578 HydrophobicContact CE1-CD2 4Å; F504-F578 HydrophobicContact CE1-CG 4.03Å; V509-F578 HydrophobicContact CG2-CE2 4.48Å; V514-F578 HydrophobicContact CG1-CZ 4.27Å; V515-F578 HydrophobicContact CG2-CE2 4.36Å; V515-F578 HydrophobicContact CG2-CZ 4.26Å; L518-F578 HydrophobicContact CD2-CD1 3.43Å; L518-F578 VanDerWaalsContact CD2-CD1 3.43Å; L518-F578 HydrophobicContact CD2-CE1 3.59Å; V574-F578 HydrophobicContact CG1-CD2 3.89Å; V574-F578 HydrophobicContact CG1-CE2 3.72Å; V574-F578 VanDerWaalsContact O-CD2 3.32Å; V574-F578 WeakPolarHBondContact O-CD2 3.43Å; V574-F578 PolarHBondContact O-N 3.03Å; M575-F578 PolarHBondContact O-N 3.37Å; F578-C580 PolarHBondContact O-N 2.98Å; F578-L581 PolarHBondContact O-N 3.27Å; F578-M582 WeakPolarHBondContact O-CB 3.26Å; F578-M582 PolarHBondContact O-N 3.29Å
579A97Very high91.8Very high1 Ų133.4 Ų33.41%0.00817%0.171CC..Hα-helixtrans-63.3-41176.100000112.4T465 I484 M575 T576 V577 M582 A583T465-A579 HydrophobicContact CG2-CB 3.69Å; I484-A579 HydrophobicContact CD1-CB 3.97Å; M575-A579 WeakPolarHBondContact O-CB 3.35Å; M575-A579 PolarHBondContact O-N 3.32Å; M575-A579 HydrophobicContact SD-CB 4.3Å; T576-A579 PolarHBondContact O-N 3.14Å; V577-A579 PolarHBondContact O-N 3.25Å; A579-M582 PolarHBondContact O-N 3.11Å; A579-A583 WeakPolarHBondContact O-CB 3.48Å; A579-A583 PolarHBondContact O-N 3.02Å
580C97.1Very high89.5Confident13 Ų1339.3 Ų39.39%0.08820%0.199CC..Hα-helixtrans-68-36176.7-74.80000112.5A557 K558 V559 T576 V577 F578 R584A557-C580 HydrophobicContact CB-CB 4.36Å; K558-C580 PolarHBondContact O-SG 2.66Å; V559-C580 HydrophobicContact CG2-CB 3.91Å; T576-C580 WeakPolarHBondContact O-CB 3.41Å; T576-C580 PolarHBondContact O-N 3.16Å; T576-C580 PolarHBondContact O-SG 3.39Å; V577-C580 PolarHBondContact O-N 3.26Å; F578-C580 PolarHBondContact O-N 2.98Å; C580-R584 PolarHBondContact O-N 2.98Å; C580-R584 VanDerWaalsContact O-N 3.11Å
581L98Very high86.8Confident0 Ų038.2 Ų38.20%020%0.2CC..Hα-helixtrans-66.5-43.7172.6-72.4171.8000111.2W487 V515 L518 I519 I522 A552 I555 A557 V577 F578 A583 R584 D585W487-L581 HydrophobicContact CH2-CB 4.11Å; V515-L581 HydrophobicContact CG1-CD1 4.07Å; L518-L581 HydrophobicContact CD2-CB 4.32Å; L518-L581 HydrophobicContact CD2-CD1 3.8Å; L518-L581 HydrophobicContact CG-CD1 4.19Å; I519-L581 HydrophobicContact CG1-CD1 4.32Å; I519-L581 HydrophobicContact CG1-CD2 3.71Å; I522-L581 HydrophobicContact CD1-CB 3.82Å; I522-L581 HydrophobicContact CD1-CD2 4.07Å; I522-L581 HydrophobicContact CD1-CG 4.48Å; A552-L581 HydrophobicContact CB-CD2 3.99Å; I555-L581 HydrophobicContact CD1-CD2 3.99Å; A557-L581 HydrophobicContact CB-CD2 4.03Å; V577-L581 HydrophobicContact CG1-CD1 4.09Å; V577-L581 WeakPolarHBondContact O-CG 3.47Å; V577-L581 PolarHBondContact O-N 3.2Å; F578-L581 PolarHBondContact O-N 3.27Å; L581-A583 VanDerWaalsContact C-N 3.35Å; L581-A583 PolarHBondContact O-N 3.04Å; L581-R584 WeakPolarHBondContact O-CB 3.39Å; L581-R584 PolarHBondContact O-N 3.24Å; L581-R584 VanDerWaalsContact O-N 3.11Å; L581-D585 PolarHBondContact O-N 3.43Å
582M96.9Very high83.8Confident11 Ų1139.7 Ų39.75%0.05422%0.216CC..Hα-helixtrans-59.3-45.1174.3-170.3177.8-174.300111.9L469 I484 W487 F578 A579 R584 D585 Y586L469-M582 HydrophobicContact CD1-CB 3.98Å; L469-M582 HydrophobicContact CD1-CG 3.68Å; L469-M582 HydrophobicContact CD1-SD 4.04Å; L469-M582 HydrophobicContact CD2-CG 4.46Å; L469-M582 HydrophobicContact CD2-SD 3.85Å; I484-M582 HydrophobicContact CB-SD 4.26Å; I484-M582 HydrophobicContact CG1-SD 3.83Å; I484-M582 HydrophobicContact CG2-SD 4.45Å; W487-M582 HydrophobicContact CB-CE 3.69Å; W487-M582 HydrophobicContact CB-SD 4.14Å; W487-M582 HydrophobicContact CD2-CB 3.86Å; W487-M582 HydrophobicContact CD2-CE 4.33Å; W487-M582 HydrophobicContact CD2-CG 3.49Å; W487-M582 VanDerWaalsContact CD2-CG 3.49Å; W487-M582 HydrophobicContact CD2-SD 4Å; W487-M582 HydrophobicContact CE3-CB 3.54Å; W487-M582 HydrophobicContact CE3-CG 3.66Å; W487-M582 HydrophobicContact CE3-SD 4.03Å; W487-M582 HydrophobicContact CG-CE 3.75Å; W487-M582 HydrophobicContact CG-CG 3.92Å; W487-M582 HydrophobicContact CG-SD 4.02Å; W487-M582 HydrophobicContact CH2-CB 3.76Å; W487-M582 HydrophobicContact CH2-CG 4.38Å; W487-M582 VanDerWaalsContact CH2-N 3.27Å; W487-M582 HydrophobicContact CZ2-CB 4.05Å; W487-M582 HydrophobicContact CZ2-CG 4.24Å; W487-M582 HydrophobicContact CZ3-CB 3.48Å; W487-M582 VanDerWaalsContact CZ3-CB 3.48Å; W487-M582 HydrophobicContact CZ3-CG 4.1Å; F578-M582 WeakPolarHBondContact O-CB 3.26Å; F578-M582 PolarHBondContact O-N 3.29Å; A579-M582 PolarHBondContact O-N 3.11Å; M582-R584 PolarHBondContact O-N 3.44Å; M582-D585 WeakPolarHBondContact O-CB 3.18Å; M582-D585 PolarHBondContact O-N 3.11Å; M582-Y586 HydrophobicContact CE-CE2 3.57Å; M582-Y586 VanDerWaalsContact CE-OH 3.26Å; M582-Y586 WeakPolarHBondContact CE-OH 3.21Å; M582-Y586 HydrophobicContact CG-CD2 4.1Å; M582-Y586 HydrophobicContact CG-CE2 3.56Å; M582-Y586 WeakPolarHBondContact O-CD2 3.39Å; M582-Y586 PolarHBondContact O-N 3.18Å; M582-Y586 HydrophobicContact SD-CE2 4.29Å
583A94.6Very high80.5Confident5 Ų543.6 Ų43.64%0.04124%0.236CC..Hα-helixtrans-61-36.1176.900000111.4L469 C472 A579 L581 M587L469-A583 HydrophobicContact CB-CB 4.16Å; L469-A583 HydrophobicContact CD1-CB 3.96Å; C472-A583 HydrophobicContact CB-CB 4.3Å; C472-A583 WeakPolarHBondContact CB-O 3.44Å; A579-A583 WeakPolarHBondContact O-CB 3.48Å; A579-A583 PolarHBondContact O-N 3.02Å; L581-A583 VanDerWaalsContact C-N 3.35Å; L581-A583 PolarHBondContact O-N 3.04Å; A583-M587 PolarHBondContact O-N 3.18Å
584R93.6Very high77.4Confident22 Ų2248.1 Ų48.18%0.08327%0.266CS..Hα-helixtrans-69.5-39.9175.7175.254.3-173.180.711.7112.8I522 I555 A557 C580 L581 M582 Y586 M587 N589I522-R584 HydrophobicContact CG2-CG 4.5Å; I555-R584 HydrophobicContact CD1-CG 4.09Å; I555-R584 HydrophobicContact CG1-CG 4.32Å; I555-R584 WeakPolarHBondContact O-CD 3.49Å; I555-R584 PolarHBondContact O-NE 3.46Å; I555-R584 PolarHBondContact O-NH2 3.31Å; A557-R584 HydrophobicContact CB-CB 4.2Å; C580-R584 PolarHBondContact O-N 2.98Å; C580-R584 VanDerWaalsContact O-N 3.11Å; L581-R584 WeakPolarHBondContact O-CB 3.39Å; L581-R584 PolarHBondContact O-N 3.24Å; L581-R584 VanDerWaalsContact O-N 3.11Å; M582-R584 PolarHBondContact O-N 3.44Å; R584-Y586 VanDerWaalsContact C-N 3.27Å; R584-Y586 PolarHBondContact O-N 3.35Å; R584-M587 HydrophobicContact CB-CE 4.19Å; R584-M587 PolarHBondContact O-N 2.73Å; R584-M587 VanDerWaalsContact O-N 3.12Å; R584-N589 PolarHBondContact NH1-OD1 2.81Å; R584-N589 PolarHBondContact NH2-OD1 3.18Å
585D94.6Very high74.2Confident48 Ų4854.1 Ų54.126%0.25730%0.302SS..Hα-helixtrans-59.8-37.5177.3-17040.5000112.2W487 I522 L581 M582 M587W487-D585 HydrophobicContact CZ2-CB 3.66Å; W487-D585 PolarHBondContact NE1-OD2 3.14Å; I522-D585 HydrophobicContact CD1-CB 4.43Å; I522-D585 HydrophobicContact CG1-CB 4.12Å; I522-D585 HydrophobicContact CG2-CB 4.27Å; L581-D585 PolarHBondContact O-N 3.43Å; M582-D585 WeakPolarHBondContact O-CB 3.18Å; M582-D585 PolarHBondContact O-N 3.11Å; D585-M587 VanDerWaalsContact C-N 3.33Å; D585-M587 PolarHBondContact O-N 2.87Å
586Y89.4Confident71.1Confident101 Ų10160.1 Ų60.140%0.39634%0.34SS..Hα-helixtrans-75.1-17175.9-69.1-57.3000115.1L469 A473 M582 R584L469-Y586 HydrophobicContact CD1-CD2 3.85Å; L469-Y586 HydrophobicContact CD1-CE2 4.02Å; A473-Y586 HydrophobicContact CB-CD2 3.76Å; A473-Y586 HydrophobicContact CB-CE2 4.02Å; A473-Y586 HydrophobicContact CB-CG 4.02Å; M582-Y586 HydrophobicContact CE-CE2 3.57Å; M582-Y586 VanDerWaalsContact CE-OH 3.26Å; M582-Y586 WeakPolarHBondContact CE-OH 3.21Å; M582-Y586 HydrophobicContact CG-CD2 4.1Å; M582-Y586 HydrophobicContact CG-CE2 3.56Å; M582-Y586 WeakPolarHBondContact O-CD2 3.39Å; M582-Y586 PolarHBondContact O-N 3.18Å; M582-Y586 HydrophobicContact SD-CE2 4.29Å; R584-Y586 VanDerWaalsContact C-N 3.27Å; R584-Y586 PolarHBondContact O-N 3.35Å
587M82.4Confident68.2Low58 Ų5866.9 Ų66.929%0.28638%0.376SS..SBendtrans-72.6136.5172.1-70.2-169.6-78.600108.8C472 A583 R584 D585 N589C472-M587 HydrophobicContact CB-CG 4.21Å; A583-M587 PolarHBondContact O-N 3.18Å; R584-M587 HydrophobicContact CB-CE 4.19Å; R584-M587 PolarHBondContact O-N 2.73Å; R584-M587 VanDerWaalsContact O-N 3.12Å; D585-M587 VanDerWaalsContact C-N 3.33Å; D585-M587 PolarHBondContact O-N 2.87Å; M587-N589 PolarHBondContact O-N 2.91Å; M587-N589 VanDerWaalsContact O-N 3.08Å
588P66Low65.2Low106 Ų10670.1 Ų70.169%0.68841%0.41SS*.  trans-49.2123.6178.3-24.131.2000109.9M590P588-M590 PolarHBondContact O-N 2.84Å
589N53Low62.2Low73 Ų7376.1 Ų76.139%0.3945%0.446SS..  trans-60.2109.1172.3-88.5-16.4000107.6R584 M587 T591R584-N589 PolarHBondContact NH1-OD1 2.81Å; R584-N589 PolarHBondContact NH2-OD1 3.18Å; M587-N589 PolarHBondContact O-N 2.91Å; M587-N589 VanDerWaalsContact O-N 3.08Å; N589-T591 PolarHBondContact O-N 3.24Å; N589-T591 VanDerWaalsContact O-N 3.09Å
590M48.6Very low59.1Low133 Ų13383.8 Ų83.866%0.65549%0.487SS*.SBendtrans-70.9-1.8-178.7-65.5-178.1170.800112.3R159 P588R159-M590 PolarHBondContact NH2-SD 2.83Å; P588-M590 PolarHBondContact O-N 2.84Å
591T38.5Very low56Low67 Ų6787.9 Ų87.941%0.41151%0.514SS..  trans-99.877.9173.452.80000110.2N589N589-T591 PolarHBondContact O-N 3.24Å; N589-T591 VanDerWaalsContact O-N 3.09Å
592A32.7Very low53.1Low78 Ų78100.8 Ų100.865%0.64557%0.574SS**  trans168.6104.5146.100000111.8
593Q25.9Very low50.9Low174 Ų174105.3 Ų105.381%0.81360%0.6SS**  -127.1119.2108.2-77.8-168.1-1100106.8V595Q593-V595 PolarHBondContact O-N 2.81Å; Q593-V595 VanDerWaalsContact O-N 3.13Å
594P29.8Very low48.6Very low110 Ų110110.6 Ų110.671%0.71463%0.629SS**  trans-57.9119.7156.9-2.815.8000105.7T596P594-T596 PolarHBondContact O-N 3.04Å
595V30.4Very low46.1Very low127 Ų127115.5 Ų115.577%0.7766%0.66SS**  trans-54.5111.8161.5-176.30000104.1Q593 D597Q593-V595 PolarHBondContact O-N 2.81Å; Q593-V595 VanDerWaalsContact O-N 3.13Å; V595-D597 VanDerWaalsContact C-N 3.29Å; V595-D597 PolarHBondContact O-N 3.14Å
596T32.4Very low43.3Very low131 Ų131119.5 Ų119.580%0.80468%0.684SS**  trans-64.5103.3170.437.40000104.6P594 G598P594-T596 PolarHBondContact O-N 3.04Å; T596-G598 PolarHBondContact O-N 3.07Å
597D36Very low40.4Very low145 Ų145120.6 Ų120.678%0.77570%0.702SS**  trans-51.5115.3169.9-82-34.4000106.5V595 V599V595-D597 VanDerWaalsContact C-N 3.29Å; V595-D597 PolarHBondContact O-N 3.14Å; D597-V599 PolarHBondContact O-N 3.19Å
598G34.8Very low37.6Very low70 Ų70124.8 Ų124.872%0.72273%0.729SS**  trans-54.7105.7177.200000108.3T596 N600T596-G598 PolarHBondContact O-N 3.07Å; G598-N600 VanDerWaalsContact C-N 3.33Å; G598-N600 PolarHBondContact O-N 3.37Å
599V35.4Very low35.6Very low126 Ų126126.1 Ų126.176%0.76473%0.732SS**  trans-6799.8166.9176.80000106.2D597 C601D597-V599 PolarHBondContact O-N 3.19Å; V599-C601 HydrophobicContact CG1-CB 4.43Å; V599-C601 PolarHBondContact O-N 3.28Å
600N31.6Very low34.2Very low162 Ų162130.2 Ų130.287%0.86676%0.758SS**  trans-58103.2160.7-85.9-25.7000108.5G598G598-N600 VanDerWaalsContact C-N 3.33Å; G598-N600 PolarHBondContact O-N 3.37Å
601C32.3Very low33.1Very low98 Ų98130 Ų13066%0.66277%0.767SS**  trans-13984.2162.2-81.70000108.8V599V599-C601 HydrophobicContact CG1-CB 4.43Å; V599-C601 PolarHBondContact O-N 3.28Å
602H37Very low32.6Very low272 Ų272135.7 Ų135.7100%1.25980%0.799SS**  trans-151.20133.3-90.4-43.2000110.2

Retrieved 602 of 602 residues in 411.2 ms (Link to these results)

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