A0A5K4F7Y3_SCHMA Loading...

DUF4368 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7Y3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 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
1M42.4Very low46.7Very low131 Ų13132.5 Ų32.565%0.64516%0.161SC*.  0-21.80-66-174.5-76.500113.4H3 L4 V93M1-H3 PolarHBondContact O-N 3.41Å; M1-L4 VanDerWaalsContact O-CB 3.23Å; M1-L4 WeakPolarHBondContact O-CB 3.2Å; M1-L4 PolarHBondContact O-N 2.94Å; M1-L4 VanDerWaalsContact O-N 3.11Å; M1-V93 HydrophobicContact CB-CG1 3.59Å; M1-V93 HydrophobicContact CE-CG1 3.66Å; M1-V93 HydrophobicContact CG-CG1 4.19Å; M1-V93 HydrophobicContact SD-CG1 3.65Å
2K43.9Very low47.2Very low42 Ų4231.6 Ų31.618%0.18316%0.157CC..Hα-helixtrans-46.9-53175.9175.6166175.1159.70115L4 E55 Y56K2-L4 PolarHBondContact O-N 2.95Å; K2-E55 PolarHBondContact NZ-O 2.91Å; K2-Y56 HydrophobicContact CD-CD1 3.83Å; K2-Y56 HydrophobicContact CD-CD2 2.72Å; K2-Y56 HydrophobicContact CD-CE1 3.79Å; K2-Y56 HydrophobicContact CD-CE2 2.67Å; K2-Y56 HydrophobicContact CD-CG 3.33Å; K2-Y56 WeakPolarHBondContact CE-OH 3.38Å; K2-Y56 HydrophobicContact CG-CD1 4.38Å; K2-Y56 HydrophobicContact CG-CD2 3.96Å; K2-Y56 HydrophobicContact CG-CE2 4.18Å; K2-Y56 HydrophobicContact CG-CG 4.06Å; K2-Y56 PolarHBondContact NZ-OH 2.63Å
3H40Very low47.6Very low38 Ų3829.7 Ų29.718%0.17615%0.148CC..Hα-helixtrans-62.6-10.6-177.8-49.6-90.6000114.8M1 F7 L46 D49M1-H3 PolarHBondContact O-N 3.41Å; H3-F7 VanDerWaalsContact O-CB 3.3Å; H3-F7 WeakPolarHBondContact O-CB 3.37Å; H3-F7 PolarHBondContact O-N 2.98Å; H3-L46 HydrophobicContact CB-CB 4.49Å; H3-L46 HydrophobicContact CB-CD2 3.78Å; H3-L46 HydrophobicContact CB-CG 3.7Å; H3-D49 WeakPolarHBondContact NE2-CB 3.45Å
4L44.4Very low47.8Very low7 Ų727.9 Ų27.94%0.03714%0.139CC..Hα-helixtrans-80.8-41.2-173.2177.351.2000113.5M1 K2 L6 F7 H8 L46 L96 F100M1-L4 VanDerWaalsContact O-CB 3.23Å; M1-L4 WeakPolarHBondContact O-CB 3.2Å; M1-L4 PolarHBondContact O-N 2.94Å; M1-L4 VanDerWaalsContact O-N 3.11Å; K2-L4 PolarHBondContact O-N 2.95Å; L4-L6 VanDerWaalsContact C-N 3.28Å; L4-F7 PolarHBondContact O-N 3.45Å; L4-H8 PolarHBondContact O-N 3.47Å; L4-H8 PolarHBondContact O-ND1 2.96Å; L4-L46 HydrophobicContact CB-CD2 4.34Å; L4-L96 HydrophobicContact CD2-CB 3.68Å; L4-L96 HydrophobicContact CG-CB 4.07Å; L4-F100 HydrophobicContact CD1-CB 3.48Å; L4-F100 VanDerWaalsContact CD1-CB 3.48Å; L4-F100 HydrophobicContact CD1-CD1 4.26Å; L4-F100 HydrophobicContact CD1-CD2 3.09Å; L4-F100 HydrophobicContact CD1-CE2 3.81Å; L4-F100 HydrophobicContact CD1-CG 3.33Å; L4-F100 HydrophobicContact CD2-CB 3.85Å; L4-F100 HydrophobicContact CD2-CG 4.18Å; L4-F100 HydrophobicContact CG-CB 4.3Å; L4-F100 HydrophobicContact CG-CD2 4.47Å; L4-F100 HydrophobicContact CG-CG 4.39Å
5L47.2Very low48.1Very low30 Ų3026.4 Ų26.416%0.15713%0.132CC..Hα-helixtrans-66.6-38.6171.3-175.856.9000109.5F7 H8 L9 I60 F91 L96L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 3.12Å; L5-H8 PolarHBondContact O-N 2.74Å; L5-L9 HydrophobicContact CG-CD1 4.2Å; L5-L9 WeakPolarHBondContact O-CB 3.5Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.47Å; L5-L9 PolarHBondContact O-N 3.09Å; L5-I60 HydrophobicContact CD2-CD1 3.9Å; L5-I60 HydrophobicContact CG-CD1 4.17Å; L5-F91 HydrophobicContact CD1-CD2 3.93Å; L5-F91 HydrophobicContact CD1-CE2 4.26Å; L5-L96 HydrophobicContact CB-CD1 4.23Å; L5-L96 HydrophobicContact CD1-CD1 4.43Å
6L46.1Very low48.2Very low35 Ų3525.6 Ų25.618%0.18313%0.128CC..Hα-helixtrans-61.3-38.8173-151.785.1000112.5L4 N10 I60L4-L6 VanDerWaalsContact C-N 3.28Å; L6-N10 WeakPolarHBondContact O-CB 3.37Å; L6-N10 PolarHBondContact O-N 3.02Å; L6-N10 PolarHBondContact O-ND2 3.01Å; L6-I60 HydrophobicContact CD1-CG1 3.87Å
7F47Very low48.2Very low3 Ų325.9 Ų25.91%0.01313%0.127CC..Hα-helixtrans-70-46.2174.9177.5-97.4000112H3 L4 L5 L9 N10 V11 L39 L42 R43 L46 F100 T104 I107H3-F7 VanDerWaalsContact O-CB 3.3Å; H3-F7 WeakPolarHBondContact O-CB 3.37Å; H3-F7 PolarHBondContact O-N 2.98Å; L4-F7 PolarHBondContact O-N 3.45Å; L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 3.12Å; F7-L9 VanDerWaalsContact C-N 3.3Å; F7-L9 PolarHBondContact O-N 2.77Å; F7-N10 PolarHBondContact O-N 3.4Å; F7-V11 HydrophobicContact CD1-CG2 3.9Å; F7-V11 HydrophobicContact CD2-CG2 4.41Å; F7-V11 HydrophobicContact CE1-CG2 3.51Å; F7-V11 HydrophobicContact CE2-CG2 4.08Å; F7-V11 HydrophobicContact CG-CG2 4.34Å; F7-V11 HydrophobicContact CZ-CG2 3.61Å; F7-V11 WeakPolarHBondContact O-CB 3.21Å; F7-V11 VanDerWaalsContact O-CG2 3.23Å; F7-V11 WeakPolarHBondContact O-CG2 3.4Å; F7-V11 PolarHBondContact O-N 3.44Å; F7-L39 HydrophobicContact CE2-CD2 4.13Å; F7-L39 HydrophobicContact CZ-CD2 4.38Å; F7-L42 HydrophobicContact CD2-CB 3.78Å; F7-L42 HydrophobicContact CE2-CB 4.28Å; F7-R43 HydrophobicContact CE2-CB 4.13Å; F7-L46 HydrophobicContact CB-CD1 3.42Å; F7-L46 VanDerWaalsContact CB-CD1 3.42Å; F7-L46 HydrophobicContact CB-CG 4.44Å; F7-L46 HydrophobicContact CD1-CD1 4.14Å; F7-L46 HydrophobicContact CD2-CD1 3.71Å; F7-L46 HydrophobicContact CG-CD1 3.49Å; F7-L46 VanDerWaalsContact CG-CD1 3.49Å; F7-F100 HydrophobicContact CD1-CD2 4.14Å; F7-F100 AromaticContact CD1-CE2 3.92Å; F7-F100 HydrophobicContact CD1-CE2 3.92Å; F7-F100 HydrophobicContact CE1-CD2 4.34Å; F7-F100 HydrophobicContact CE1-CE2 4.09Å; F7-F100 HydrophobicContact CG-CE2 4.47Å; F7-T104 HydrophobicContact CD1-CG2 4.43Å; F7-T104 HydrophobicContact CE1-CG2 3.51Å; F7-T104 HydrophobicContact CZ-CG2 3.65Å; F7-I107 HydrophobicContact CE1-CD1 4.29Å; F7-I107 HydrophobicContact CZ-CD1 3.82Å
8H49.2Very low48.3Very low17 Ų1725.9 Ų25.98%0.07913%0.132CC..Hα-helixtrans-56.2-46.8174-90.796.9000111L4 L5 V11 L12 K122L4-H8 PolarHBondContact O-N 3.47Å; L4-H8 PolarHBondContact O-ND1 2.96Å; L5-H8 PolarHBondContact O-N 2.74Å; H8-V11 WeakPolarHBondContact O-CB 3.32Å; H8-V11 PolarHBondContact O-N 2.72Å; H8-L12 VanDerWaalsContact O-CB 3.31Å; H8-L12 WeakPolarHBondContact O-CB 3.28Å; H8-L12 VanDerWaalsContact O-CD1 3.29Å; H8-L12 WeakPolarHBondContact O-CD1 3.37Å; H8-L12 WeakPolarHBondContact O-CG 3.46Å; H8-L12 PolarHBondContact O-N 3.11Å; H8-K122 PolarHBondContact NE2-NZ 3.45Å
9L49.4Very low48.3Very low5 Ų526.8 Ų26.83%0.02614%0.141CC..Hα-helixtrans-58.1-55.7172.3-72.6164.7000110.7L5 F7 V11 L12 L13 I60 I64 L84 V88L5-L9 HydrophobicContact CG-CD1 4.2Å; L5-L9 WeakPolarHBondContact O-CB 3.5Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.47Å; L5-L9 PolarHBondContact O-N 3.09Å; F7-L9 VanDerWaalsContact C-N 3.3Å; F7-L9 PolarHBondContact O-N 2.77Å; L9-V11 VanDerWaalsContact C-N 3.26Å; L9-V11 PolarHBondContact O-N 2.98Å; L9-L12 CarbonylContact O-C 3.47Å; L9-L12 WeakPolarHBondContact O-CA 3.32Å; L9-L12 WeakPolarHBondContact O-CB 3.46Å; L9-L12 PolarHBondContact O-N 3.3Å; L9-L13 HydrophobicContact CB-CD1 4.22Å; L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 3.34Å; L9-I60 HydrophobicContact CD1-CB 4.34Å; L9-I60 HydrophobicContact CD1-CD1 4.49Å; L9-I60 HydrophobicContact CD1-CG1 4.13Å; L9-I60 HydrophobicContact CD1-CG2 3.49Å; L9-I60 VanDerWaalsContact CD1-CG2 3.49Å; L9-I64 HydrophobicContact CD1-CD1 4.44Å; L9-I64 HydrophobicContact CD2-CD1 3.89Å; L9-I64 HydrophobicContact CD2-CG1 4.07Å; L9-L84 HydrophobicContact CD2-CB 4.3Å; L9-L84 HydrophobicContact CD2-CD1 4.06Å; L9-L84 HydrophobicContact CD2-CD2 4.1Å; L9-L84 HydrophobicContact CD2-CG 4.38Å; L9-V88 HydrophobicContact CD1-CG2 4.33Å
10N50.3Low48.1Very low35 Ų3527 Ų2719%0.18714%0.143CC..Hα-helixtrans-60.4-31.6-179.2-84-97000113.8L6 F7 L14 L42 Q63L6-N10 WeakPolarHBondContact O-CB 3.37Å; L6-N10 PolarHBondContact O-N 3.02Å; L6-N10 PolarHBondContact O-ND2 3.01Å; F7-N10 PolarHBondContact O-N 3.4Å; N10-L14 WeakPolarHBondContact O-CB 3.37Å; N10-L14 WeakPolarHBondContact O-CD1 3.26Å; N10-L14 WeakPolarHBondContact O-CG 3.4Å; N10-L14 PolarHBondContact O-N 3.27Å; N10-L42 HydrophobicContact CB-CD1 3.4Å; N10-L42 HydrophobicContact CB-CD2 4.36Å; N10-Q63 PolarHBondContact ND2-OE1 2.86Å
11V53.2Low47.8Very low14 Ų1433.7 Ų33.79%0.08517%0.174CC..Hα-helixtrans-61.7-52.9168.2169.30000110.5F7 H8 L9 L13 L14 L15 L39F7-V11 HydrophobicContact CD1-CG2 3.9Å; F7-V11 HydrophobicContact CD2-CG2 4.41Å; F7-V11 HydrophobicContact CE1-CG2 3.51Å; F7-V11 HydrophobicContact CE2-CG2 4.08Å; F7-V11 HydrophobicContact CG-CG2 4.34Å; F7-V11 HydrophobicContact CZ-CG2 3.61Å; F7-V11 WeakPolarHBondContact O-CB 3.21Å; F7-V11 VanDerWaalsContact O-CG2 3.23Å; F7-V11 WeakPolarHBondContact O-CG2 3.4Å; F7-V11 PolarHBondContact O-N 3.44Å; H8-V11 WeakPolarHBondContact O-CB 3.32Å; H8-V11 PolarHBondContact O-N 2.72Å; L9-V11 VanDerWaalsContact C-N 3.26Å; L9-V11 PolarHBondContact O-N 2.98Å; V11-L13 VanDerWaalsContact C-N 3.29Å; V11-L13 PolarHBondContact O-N 2.99Å; V11-L14 PolarHBondContact O-N 3.38Å; V11-L15 HydrophobicContact CG1-CD1 3.7Å; V11-L15 WeakPolarHBondContact O-CB 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.17Å; V11-L15 PolarHBondContact O-N 3.26Å; V11-L39 HydrophobicContact CB-CD2 4.17Å; V11-L39 HydrophobicContact CG2-CD2 3.37Å
12L53.6Low47.6Very low22 Ų2230.7 Ų30.712%0.11516%0.162CC..Hα-helixtrans-62.6-33.9-179.9-69.5164.2000112H8 L9 L16 Y80 L84 V119H8-L12 VanDerWaalsContact O-CB 3.31Å; H8-L12 WeakPolarHBondContact O-CB 3.28Å; H8-L12 VanDerWaalsContact O-CD1 3.29Å; H8-L12 WeakPolarHBondContact O-CD1 3.37Å; H8-L12 WeakPolarHBondContact O-CG 3.46Å; H8-L12 PolarHBondContact O-N 3.11Å; L9-L12 CarbonylContact O-C 3.47Å; L9-L12 WeakPolarHBondContact O-CA 3.32Å; L9-L12 WeakPolarHBondContact O-CB 3.46Å; L9-L12 PolarHBondContact O-N 3.3Å; L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 PolarHBondContact O-N 3.15Å; L12-Y80 WeakPolarHBondContact CB-OH 3.37Å; L12-Y80 WeakPolarHBondContact CD2-OH 3.3Å; L12-Y80 PolarHBondContact O-OH 3.49Å; L12-L84 HydrophobicContact CD1-CD2 3.88Å; L12-V119 HydrophobicContact CD2-CB 4.32Å; L12-V119 HydrophobicContact CD2-CG1 3.83Å; L12-V119 HydrophobicContact CD2-CG2 3.86Å
13L52.3Low47.5Very low7 Ų736.4 Ų36.44%0.03720%0.195CC..Hα-helixtrans-79.1-41.4179.5-62.2165.6000111.8L9 V11 L16 R17 I67 L84L9-L13 HydrophobicContact CB-CD1 4.22Å; L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 3.34Å; V11-L13 VanDerWaalsContact C-N 3.29Å; V11-L13 PolarHBondContact O-N 2.99Å; L13-L16 PolarHBondContact O-N 3.02Å; L13-R17 WeakPolarHBondContact O-CB 3.46Å; L13-R17 WeakPolarHBondContact O-CG 3.49Å; L13-R17 PolarHBondContact O-N 2.94Å; L13-I67 HydrophobicContact CB-CG1 4.43Å; L13-I67 HydrophobicContact CD1-CD1 4.12Å; L13-I67 HydrophobicContact CD2-CB 3.78Å; L13-I67 HydrophobicContact CD2-CD1 4.13Å; L13-I67 HydrophobicContact CD2-CG1 3.8Å; L13-I67 HydrophobicContact CD2-CG2 3.66Å; L13-I67 HydrophobicContact CG-CG1 4.49Å; L13-L84 HydrophobicContact CD2-CD1 4.25Å
14L50.4Low47.3Very low5 Ų538.3 Ų38.33%0.02623%0.225CC..Hα-helixtrans-67.4-39.2174.7-74.3168000112N10 V11 A18 I35 R38 L39 L42N10-L14 WeakPolarHBondContact O-CB 3.37Å; N10-L14 WeakPolarHBondContact O-CD1 3.26Å; N10-L14 WeakPolarHBondContact O-CG 3.4Å; N10-L14 PolarHBondContact O-N 3.27Å; V11-L14 PolarHBondContact O-N 3.38Å; L14-A18 PolarHBondContact O-N 2.95Å; L14-A18 VanDerWaalsContact O-N 3.08Å; L14-I35 HydrophobicContact CB-CG1 4.27Å; L14-I35 HydrophobicContact CB-CG2 4.01Å; L14-I35 HydrophobicContact CD2-CG1 4.26Å; L14-R38 HydrophobicContact CD1-CB 3.77Å; L14-R38 HydrophobicContact CD2-CB 4.34Å; L14-L39 HydrophobicContact CD1-CD2 3.83Å; L14-L39 HydrophobicContact CD1-CG 3.96Å; L14-L42 HydrophobicContact CD1-CD1 4.48Å
15L51.7Low47.1Very low5 Ų540.3 Ų40.33%0.02624%0.243CC..Hα-helixtrans-76.1-30.3176.3-67.7168.1000111.9V11 A18 S19 L115 I116 V119V11-L15 HydrophobicContact CG1-CD1 3.7Å; V11-L15 WeakPolarHBondContact O-CB 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.17Å; V11-L15 PolarHBondContact O-N 3.26Å; L15-A18 WeakPolarHBondContact O-CB 3.49Å; L15-A18 PolarHBondContact O-N 2.89Å; L15-S19 WeakPolarHBondContact O-CB 3.34Å; L15-S19 PolarHBondContact O-N 3.26Å; L15-S19 PolarHBondContact O-OG 3.37Å; L15-L115 HydrophobicContact CD1-CB 3.9Å; L15-L115 HydrophobicContact CD2-CB 3.78Å; L15-L115 HydrophobicContact CD2-CD1 4.28Å; L15-I116 HydrophobicContact CD2-CG1 4.36Å; L15-V119 HydrophobicContact CB-CG2 4.08Å; L15-V119 HydrophobicContact CD1-CG2 3.41Å; L15-V119 VanDerWaalsContact CD1-CG2 3.41Å; L15-V119 HydrophobicContact CG-CG2 4.38Å
16L50.1Low46.8Very low13 Ų1347.5 Ų47.57%0.06828%0.275CS..Hα-helixtrans-62.6-50.5168.5-171.567.2000110.6L12 L13 A18 S19 V20 I67 L71 V77 Y80L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 PolarHBondContact O-N 3.15Å; L13-L16 PolarHBondContact O-N 3.02Å; L16-A18 PolarHBondContact O-N 3.33Å; L16-A18 VanDerWaalsContact O-N 3.12Å; L16-S19 WeakPolarHBondContact CA-OG 3.35Å; L16-S19 PolarHBondContact O-N 3.11Å; L16-S19 PolarHBondContact O-OG 3.47Å; L16-V20 HydrophobicContact CD1-CG2 4.42Å; L16-V20 HydrophobicContact CG-CG2 4.39Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 2.99Å; L16-I67 HydrophobicContact CD2-CG2 4.26Å; L16-L71 HydrophobicContact CB-CD1 4.45Å; L16-L71 HydrophobicContact CD2-CD1 3.29Å; L16-L71 HydrophobicContact CG-CD1 3.56Å; L16-V77 HydrophobicContact CD1-CG2 4.34Å; L16-Y80 HydrophobicContact CB-CE1 4.27Å; L16-Y80 HydrophobicContact CD1-CD1 4.11Å; L16-Y80 HydrophobicContact CD1-CE1 4.13Å; L16-Y80 HydrophobicContact CD1-CG 4.49Å; L16-Y80 HydrophobicContact CD2-CD1 3.72Å; L16-Y80 HydrophobicContact CD2-CE1 3.77Å; L16-Y80 HydrophobicContact CG-CD1 4.47Å; L16-Y80 HydrophobicContact CG-CE1 4.3Å
17R48.8Very low46.5Very low32 Ų3253 Ų5312%0.12130%0.3CS..Hα-helixtrans-59.5-17.9172.6-74.7175.2170.9176.13.8114.5L13 Y30 E70 L71L13-R17 WeakPolarHBondContact O-CB 3.46Å; L13-R17 WeakPolarHBondContact O-CG 3.49Å; L13-R17 PolarHBondContact O-N 2.94Å; R17-Y30 HydrophobicContact CB-CD2 4.41Å; R17-E70 IonicContact CZ-OE1 2.76Å; R17-E70 IonicContact CZ-OE2 2.69Å; R17-E70 IonicContact NE-OE2 3.82Å; R17-E70 PolarHBondContact NE-OE2 3.14Å; R17-E70 IonicContact NH2-OE1 2.82Å; R17-E70 PolarHBondContact NH2-OE1 2.96Å; R17-E70 IonicContact NH2-OE2 2.87Å; R17-E70 PolarHBondContact NH2-OE2 2.91Å; R17-L71 HydrophobicContact CG-CD2 4.3Å
18A48.5Very low46.5Very low25 Ų2558.8 Ų58.821%0.20733%0.327CS..Hα-helixtrans-88.6-31.6171.200000113.1L14 L15 L16 I35L14-A18 PolarHBondContact O-N 2.95Å; L14-A18 VanDerWaalsContact O-N 3.08Å; L15-A18 WeakPolarHBondContact O-CB 3.49Å; L15-A18 PolarHBondContact O-N 2.89Å; L16-A18 PolarHBondContact O-N 3.33Å; L16-A18 VanDerWaalsContact O-N 3.12Å; A18-I35 HydrophobicContact CB-CD1 3.66Å
19S48.8Very low46.6Very low44 Ų4461.2 Ų61.231%0.30835%0.35SS..Hα-helixtrans-83.7-23-179.568.50000113.9L15 L16 Q21L15-S19 WeakPolarHBondContact O-CB 3.34Å; L15-S19 PolarHBondContact O-N 3.26Å; L15-S19 PolarHBondContact O-OG 3.37Å; L16-S19 WeakPolarHBondContact CA-OG 3.35Å; L16-S19 PolarHBondContact O-N 3.11Å; L16-S19 PolarHBondContact O-OG 3.47Å; S19-Q21 VanDerWaalsContact C-N 3.3Å; S19-Q21 PolarHBondContact O-N 3.04Å
20V44.8Very low46.7Very low29 Ų2963.7 Ų63.718%0.17636%0.359CS..  trans-75.485.4174.11760000108.9L16 V22 L71 V77L16-V20 HydrophobicContact CD1-CG2 4.42Å; L16-V20 HydrophobicContact CG-CG2 4.39Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 2.99Å; V20-V22 HydrophobicContact CG1-CG2 3.92Å; V20-V22 PolarHBondContact O-N 2.84Å; V20-L71 HydrophobicContact CB-CD2 4.43Å; V20-L71 HydrophobicContact CG1-CD2 4.38Å; V20-L71 HydrophobicContact CG2-CD1 4.35Å; V20-L71 HydrophobicContact CG2-CD2 4.29Å; V20-V77 HydrophobicContact CG2-CG2 3.82Å
21Q42.5Very low47Very low169 Ų16964.2 Ų64.279%0.7937%0.366SS*.  trans-67.5114.2154.7-66.7-177.4-45.700107.5S19 D23S19-Q21 VanDerWaalsContact C-N 3.3Å; S19-Q21 PolarHBondContact O-N 3.04Å; Q21-D23 PolarHBondContact O-N 3.04Å
22V38.1Very low47Very low67 Ų6765.8 Ų65.841%0.40637%0.373SS..BIsolated β-bridgetrans-80.798.5175.1-177.50000108.2V20 G24 A25V20-V22 HydrophobicContact CG1-CG2 3.92Å; V20-V22 PolarHBondContact O-N 2.84Å; V22-G24 VanDerWaalsContact C-N 3.32Å; V22-G24 PolarHBondContact O-N 2.96Å; V22-A25 WeakPolarHBondContact O-CB 3.27Å; V22-A25 PolarHBondContact O-N 2.98Å
23D40.2Very low47.3Very low162 Ų16270.6 Ų70.687%0.86640%0.399SS*.THydrogen-bonded Turntrans41.350168-61.6-26.9000115.7Q21 A25Q21-D23 PolarHBondContact O-N 3.04Å; D23-A25 VanDerWaalsContact C-N 3.28Å; D23-A25 PolarHBondContact O-N 3.14Å
24G37.6Very low47.6Very low79 Ų7974 Ų7481%0.81442%0.417SS*.THydrogen-bonded Turntrans79.4-1.9175.300000115.6V22V22-G24 VanDerWaalsContact C-N 3.32Å; V22-G24 PolarHBondContact O-N 2.96Å
25A39.5Very low47.9Very low49 Ų4973.9 Ų73.941%0.40542%0.417SS..BIsolated β-bridgetrans-85.3133.8169.400000110.8V22 D23 Q27V22-A25 WeakPolarHBondContact O-CB 3.27Å; V22-A25 PolarHBondContact O-N 2.98Å; D23-A25 VanDerWaalsContact C-N 3.28Å; D23-A25 PolarHBondContact O-N 3.14Å; A25-Q27 PolarHBondContact O-N 3.43Å
26E40.7Very low48Very low180 Ų18077.4 Ų77.484%0.84143%0.432SS*.  trans-74.536.1176.2-63.9-163.8120.700113.7Q28E26-Q28 PolarHBondContact O-N 2.83Å
27Q39.5Very low48.4Very low151 Ų15178.3 Ų78.371%0.70644%0.444SS*.  trans-76.465.3168.2-66.2-164.11100110.6A25 A29A25-Q27 PolarHBondContact O-N 3.43Å; Q27-A29 PolarHBondContact O-N 3.28Å
28Q47.4Very low49Very low125 Ų12582 Ų8258%0.58446%0.458SS*.  trans-60.4102.9159.3-65-178.324.100107.1E26 Y30E26-Q28 PolarHBondContact O-N 2.83Å; Q28-Y30 PolarHBondContact O-N 3.07Å
29A51.3Low49.4Very low67 Ų6781.1 Ų81.155%0.55445%0.45SS*.SBendtrans-59.2-18.3-173.600000113.5Q27Q27-A29 PolarHBondContact O-N 3.28Å
30Y52.2Low49.9Very low57 Ų5784.9 Ų84.922%0.22446%0.461CS..SBendtrans-143.4140.1171.3-69.6-79.6000109.4R17 Q28 D34 R38R17-Y30 HydrophobicContact CB-CD2 4.41Å; Q28-Y30 PolarHBondContact O-N 3.07Å; Y30-D34 HydrophobicContact CD1-CB 3.96Å; Y30-R38 VanDerWaalsContact CE1-CZ 3.43Å; Y30-R38 VanDerWaalsContact CE1-NH2 3.28Å
31S56.5Low50.6Low47 Ų4788 Ų8833%0.32948%0.476SS..  trans-70160.2169.178.20000110.6N33 D34 I35S31-N33 PolarHBondContact O-N 2.98Å; S31-N33 VanDerWaalsContact O-N 3.11Å; S31-N33 PolarHBondContact OG-N 2.78Å; S31-D34 VanDerWaalsContact CB-OD2 3.23Å; S31-D34 WeakPolarHBondContact CB-OD2 3.41Å; S31-D34 PolarHBondContact N-OD2 3.44Å; S31-D34 WeakPolarHBondContact O-CB 3.39Å; S31-D34 PolarHBondContact O-N 3.08Å; S31-D34 VanDerWaalsContact OG-CG 3.31Å; S31-D34 PolarHBondContact OG-N 2.66Å; S31-D34 PolarHBondContact OG-OD2 2.68Å; S31-I35 PolarHBondContact O-N 2.81Å
32L53.1Low51.2Low46 Ų4681.6 Ų81.624%0.24145%0.446CS..Hα-helixtrans-52.3-33.6172.5-178.963.3000112.8K36 T112L32-K36 HydrophobicContact CD1-CD 4.47Å; L32-K36 HydrophobicContact CG-CD 4.23Å; L32-K36 WeakPolarHBondContact O-CB 3.23Å; L32-K36 WeakPolarHBondContact O-CG 3.45Å; L32-K36 PolarHBondContact O-N 3.22Å; L32-T112 HydrophobicContact CD1-CG2 3.97Å; L32-T112 WeakPolarHBondContact CD1-OG1 3.24Å; L32-T112 WeakPolarHBondContact CD2-OG1 3.46Å
33N58.5Low51.9Low123 Ų12380.5 Ų80.566%0.65844%0.435SS*.Hα-helixtrans-74.8-36.2179.9-69.9-27.8000112S31 I35 K36 G37S31-N33 PolarHBondContact O-N 2.98Å; S31-N33 VanDerWaalsContact O-N 3.11Å; S31-N33 PolarHBondContact OG-N 2.78Å; N33-I35 VanDerWaalsContact C-N 3.34Å; N33-K36 PolarHBondContact O-N 3.5Å; N33-G37 PolarHBondContact O-N 3.47Å
34D60.2Low52.6Low78 Ų7875.3 Ų75.342%0.41741%0.407SS..Hα-helixtrans-64.8-40.7172.9-59-60.9000111.2Y30 S31 G37 R38Y30-D34 HydrophobicContact CD1-CB 3.96Å; S31-D34 VanDerWaalsContact CB-OD2 3.23Å; S31-D34 WeakPolarHBondContact CB-OD2 3.41Å; S31-D34 PolarHBondContact N-OD2 3.44Å; S31-D34 WeakPolarHBondContact O-CB 3.39Å; S31-D34 PolarHBondContact O-N 3.08Å; S31-D34 VanDerWaalsContact OG-CG 3.31Å; S31-D34 PolarHBondContact OG-N 2.66Å; S31-D34 PolarHBondContact OG-OD2 2.68Å; D34-G37 PolarHBondContact O-N 2.85Å; D34-R38 WeakPolarHBondContact O-CB 3.27Å; D34-R38 VanDerWaalsContact O-CG 3.27Å; D34-R38 WeakPolarHBondContact O-CG 3.34Å; D34-R38 PolarHBondContact O-N 2.86Å
35I55.6Low53.4Low3 Ų377.9 Ų77.92%0.01539%0.393CS..Hα-helixtrans-61.5-52.8174.7-68.3163.7000109.9L14 A18 S31 N33 G37 R38 L39L14-I35 HydrophobicContact CB-CG1 4.27Å; L14-I35 HydrophobicContact CB-CG2 4.01Å; L14-I35 HydrophobicContact CD2-CG1 4.26Å; A18-I35 HydrophobicContact CB-CD1 3.66Å; S31-I35 PolarHBondContact O-N 2.81Å; N33-I35 VanDerWaalsContact C-N 3.34Å; I35-G37 VanDerWaalsContact C-N 3.29Å; I35-G37 PolarHBondContact O-N 3.37Å; I35-R38 PolarHBondContact O-N 3.25Å; I35-L39 HydrophobicContact CG2-CD1 3.99Å; I35-L39 HydrophobicContact CG2-CG 4.36Å; I35-L39 WeakPolarHBondContact O-CB 3.41Å; I35-L39 VanDerWaalsContact O-CG 3.27Å; I35-L39 WeakPolarHBondContact O-CG 3.37Å; I35-L39 PolarHBondContact O-N 3.39Å
36K53.7Low53.8Low80 Ų8077 Ų7735%0.34838%0.381SS..Hα-helixtrans-59.3-38.3177.3-74.7176.9175.9-176.90112.2L32 N33 K40L32-K36 HydrophobicContact CD1-CD 4.47Å; L32-K36 HydrophobicContact CG-CD 4.23Å; L32-K36 WeakPolarHBondContact O-CB 3.23Å; L32-K36 WeakPolarHBondContact O-CG 3.45Å; L32-K36 PolarHBondContact O-N 3.22Å; N33-K36 PolarHBondContact O-N 3.5Å; K36-K40 WeakPolarHBondContact O-CB 3.46Å; K36-K40 PolarHBondContact O-N 3.33Å
37G59.6Low54.2Low31 Ų3175.7 Ų75.732%0.3237%0.373SS..Hα-helixtrans-63.5-49.6174.300000113N33 D34 I35 K40 I41N33-G37 PolarHBondContact O-N 3.47Å; D34-G37 PolarHBondContact O-N 2.85Å; I35-G37 VanDerWaalsContact C-N 3.29Å; I35-G37 PolarHBondContact O-N 3.37Å; G37-K40 WeakPolarHBondContact O-CB 3.49Å; G37-K40 PolarHBondContact O-N 3.24Å; G37-I41 WeakPolarHBondContact O-CG1 3.29Å; G37-I41 PolarHBondContact O-N 3.05Å
38R61.6Low54.6Low111 Ų11175.9 Ų75.942%0.41937%0.371SS..Hα-helixtrans-62.9-43.2177.4-72.5171.6177.8-108.7-1.6111.7L14 Y30 D34 I35 K40 I41 L42L14-R38 HydrophobicContact CD1-CB 3.77Å; L14-R38 HydrophobicContact CD2-CB 4.34Å; Y30-R38 VanDerWaalsContact CE1-CZ 3.43Å; Y30-R38 VanDerWaalsContact CE1-NH2 3.28Å; D34-R38 WeakPolarHBondContact O-CB 3.27Å; D34-R38 VanDerWaalsContact O-CG 3.27Å; D34-R38 WeakPolarHBondContact O-CG 3.34Å; D34-R38 PolarHBondContact O-N 2.86Å; I35-R38 PolarHBondContact O-N 3.25Å; R38-K40 PolarHBondContact O-N 2.87Å; R38-I41 PolarHBondContact O-N 3.18Å; R38-L42 WeakPolarHBondContact O-CD1 3.37Å; R38-L42 VanDerWaalsContact O-CG 3.3Å; R38-L42 WeakPolarHBondContact O-CG 3.28Å; R38-L42 PolarHBondContact O-N 2.85Å
39L56.5Low54.5Low5 Ų573.3 Ų73.33%0.02636%0.362CS..Hα-helixtrans-59.1-44.2173.8-71.9-179.6000112.4F7 V11 L14 I35 L42 R43F7-L39 HydrophobicContact CE2-CD2 4.13Å; F7-L39 HydrophobicContact CZ-CD2 4.38Å; V11-L39 HydrophobicContact CB-CD2 4.17Å; V11-L39 HydrophobicContact CG2-CD2 3.37Å; L14-L39 HydrophobicContact CD1-CD2 3.83Å; L14-L39 HydrophobicContact CD1-CG 3.96Å; I35-L39 HydrophobicContact CG2-CD1 3.99Å; I35-L39 HydrophobicContact CG2-CG 4.36Å; I35-L39 WeakPolarHBondContact O-CB 3.41Å; I35-L39 VanDerWaalsContact O-CG 3.27Å; I35-L39 WeakPolarHBondContact O-CG 3.37Å; I35-L39 PolarHBondContact O-N 3.39Å; L39-L42 PolarHBondContact O-N 3.41Å; L39-R43 WeakPolarHBondContact O-CB 3.1Å; L39-R43 PolarHBondContact O-N 2.83Å
40K59Low54.2Low124 Ų12479.6 Ų79.654%0.53938%0.379SS..Hα-helixtrans-59.2-47.2175.4-174.7-175.5176.8-174.70111.4K36 G37 R38 R43 D44K36-K40 WeakPolarHBondContact O-CB 3.46Å; K36-K40 PolarHBondContact O-N 3.33Å; G37-K40 WeakPolarHBondContact O-CB 3.49Å; G37-K40 PolarHBondContact O-N 3.24Å; R38-K40 PolarHBondContact O-N 2.87Å; K40-R43 PolarHBondContact O-N 2.78Å; K40-D44 WeakPolarHBondContact O-CB 3.31Å; K40-D44 PolarHBondContact O-N 2.86Å
41I59.3Low53.7Low95 Ų9582 Ų8249%0.48740%0.396SS..Hα-helixtrans-59.4-47.8177.8-70.2165.3000111.1G37 R38 R43 D44 Y45G37-I41 WeakPolarHBondContact O-CG1 3.29Å; G37-I41 PolarHBondContact O-N 3.05Å; R38-I41 PolarHBondContact O-N 3.18Å; I41-R43 PolarHBondContact O-N 3.38Å; I41-D44 PolarHBondContact O-N 3.19Å; I41-D44 VanDerWaalsContact O-N 3.15Å; I41-Y45 HydrophobicContact CG2-CD2 3.77Å; I41-Y45 HydrophobicContact CG2-CE2 3.37Å; I41-Y45 WeakPolarHBondContact O-CD2 3.37Å; I41-Y45 PolarHBondContact O-N 3.44Å
42L55.2Low53.3Low33 Ų3385.7 Ų85.717%0.17341%0.412CS..Hα-helixtrans-64.3-40.9179.7-67.6156.7000112.4F7 N10 L14 R38 L39 D44 Y45 L46F7-L42 HydrophobicContact CD2-CB 3.78Å; F7-L42 HydrophobicContact CE2-CB 4.28Å; N10-L42 HydrophobicContact CB-CD1 3.4Å; N10-L42 HydrophobicContact CB-CD2 4.36Å; L14-L42 HydrophobicContact CD1-CD1 4.48Å; R38-L42 WeakPolarHBondContact O-CD1 3.37Å; R38-L42 VanDerWaalsContact O-CG 3.3Å; R38-L42 WeakPolarHBondContact O-CG 3.28Å; R38-L42 PolarHBondContact O-N 2.85Å; L39-L42 PolarHBondContact O-N 3.41Å; L42-D44 VanDerWaalsContact C-N 3.28Å; L42-D44 PolarHBondContact O-N 3.36Å; L42-Y45 PolarHBondContact O-N 3.08Å; L42-L46 WeakPolarHBondContact O-CB 3.22Å; L42-L46 PolarHBondContact O-N 3.43Å
43R51.9Low52.9Low45 Ų4588.9 Ų88.917%0.1743%0.428CS..Hα-helixtrans-62.4-34.6173-175-154.967.1-167.4-2.5112.1F7 L39 K40 I41 L46F7-R43 HydrophobicContact CE2-CB 4.13Å; L39-R43 WeakPolarHBondContact O-CB 3.1Å; L39-R43 PolarHBondContact O-N 2.83Å; K40-R43 PolarHBondContact O-N 2.78Å; I41-R43 PolarHBondContact O-N 3.38Å; R43-L46 WeakPolarHBondContact O-CB 3.32Å; R43-L46 PolarHBondContact O-N 2.97Å
44D56.4Low52.4Low52 Ų5293.1 Ų93.128%0.27844%0.436SS..Hα-helixtrans-85.4-20.5-178.2-64.5-19.4000112.5K40 I41 L42 K47K40-D44 WeakPolarHBondContact O-CB 3.31Å; K40-D44 PolarHBondContact O-N 2.86Å; I41-D44 PolarHBondContact O-N 3.19Å; I41-D44 VanDerWaalsContact O-N 3.15Å; L42-D44 VanDerWaalsContact C-N 3.28Å; L42-D44 PolarHBondContact O-N 3.36Å; D44-K47 IonicContact OD1-NZ 3.67Å
45Y52.8Low51.8Low134 Ų13497.5 Ų97.553%0.52545%0.454SS..Hα-helixtrans-70.2-43.1159.5-74.7-55.8000112.1I41 L42 K47 K48I41-Y45 HydrophobicContact CG2-CD2 3.77Å; I41-Y45 HydrophobicContact CG2-CE2 3.37Å; I41-Y45 WeakPolarHBondContact O-CD2 3.37Å; I41-Y45 PolarHBondContact O-N 3.44Å; L42-Y45 PolarHBondContact O-N 3.08Å; Y45-K47 PolarHBondContact O-N 3.22Å; Y45-K48 PolarHBondContact O-N 3.3Å
46L48Very low51.6Low29 Ų29102 Ų10215%0.15247%0.472CS..THydrogen-bonded Turntrans-50.8-25.7177.1-115.3160.2000114.5H3 L4 F7 L42 R43 F100H3-L46 HydrophobicContact CB-CB 4.49Å; H3-L46 HydrophobicContact CB-CD2 3.78Å; H3-L46 HydrophobicContact CB-CG 3.7Å; L4-L46 HydrophobicContact CB-CD2 4.34Å; F7-L46 HydrophobicContact CB-CD1 3.42Å; F7-L46 VanDerWaalsContact CB-CD1 3.42Å; F7-L46 HydrophobicContact CB-CG 4.44Å; F7-L46 HydrophobicContact CD1-CD1 4.14Å; F7-L46 HydrophobicContact CD2-CD1 3.71Å; F7-L46 HydrophobicContact CG-CD1 3.49Å; F7-L46 VanDerWaalsContact CG-CD1 3.49Å; L42-L46 WeakPolarHBondContact O-CB 3.22Å; L42-L46 PolarHBondContact O-N 3.43Å; R43-L46 WeakPolarHBondContact O-CB 3.32Å; R43-L46 PolarHBondContact O-N 2.97Å; L46-F100 HydrophobicContact CD1-CE2 3.44Å; L46-F100 VanDerWaalsContact CD1-CE2 3.44Å; L46-F100 HydrophobicContact CD1-CZ 3.61Å; L46-F100 HydrophobicContact CD2-CE1 4.49Å; L46-F100 HydrophobicContact CD2-CE2 4.3Å; L46-F100 HydrophobicContact CD2-CZ 3.95Å; L46-F100 HydrophobicContact CG-CE2 4.47Å; L46-F100 HydrophobicContact CG-CZ 4.27Å
47K49.5Very low51.4Low153 Ų153103.6 Ų103.667%0.66548%0.48SS*.THydrogen-bonded Turntrans-84.6-14.3179.7-72.5174.8179.1172.60114.8D44 Y45D44-K47 IonicContact OD1-NZ 3.67Å; Y45-K47 PolarHBondContact O-N 3.22Å
48K48.4Very low51.5Low155 Ų155105.7 Ų105.767%0.67450%0.495SS*.THydrogen-bonded Turntrans-91.4-39.4-169-69.3-174.6177.3-175.50114Y45Y45-K48 PolarHBondContact O-N 3.3Å
49D45.9Very low51.5Low72 Ų72103.2 Ų103.239%0.38549%0.488SS..  trans-121.7140.3-163.6-64-61.1000114.7H3 L51H3-D49 WeakPolarHBondContact NE2-CB 3.45Å; D49-L51 HydrophobicContact CB-CD1 4.34Å
50Q43.7Very low51.5Low198 Ų198103.6 Ų103.693%0.92549%0.49SS*.  trans-117.135.4171.5-59.8-168.414.300111.5
51L43.2Very low51.5Low108 Ų10899.4 Ų99.457%0.56548%0.475SS*.  trans-79.7162-170.8-81.3163.8000115.2D49D49-L51 HydrophobicContact CB-CD1 4.34Å
52D47Very low51.8Low124 Ų124100.4 Ų100.466%0.66348%0.475SS*.  trans-67.7161.4-165-88.6-61.4000116.7Y56D52-Y56 WeakPolarHBondContact O-CD2 3.23Å; D52-Y56 WeakPolarHBondContact O-CE2 3.49Å
53I45.7Very low52.1Low114 Ų114100.9 Ų100.959%0.58548%0.477SS*.SBendtrans-98.3-20-147.4-68.3174.2000114.8
54Y46.4Very low52.6Low212 Ų21298.8 Ų98.883%0.83147%0.469SS*.SBendtrans-73.1-44.7-158.1-71.2-79.3000117.1Y56Y54-Y56 VanDerWaalsContact C-N 3.3Å; Y54-Y56 PolarHBondContact O-N 2.91Å
55E48.8Very low52.9Low170 Ų17099.5 Ų99.579%0.79447%0.473SS*.THydrogen-bonded Turntrans-85.150.8-170.2-62.1-170.9148.100114.2K2K2-E55 PolarHBondContact NZ-O 2.91Å
56Y50.6Low53.4Low96 Ų9696.1 Ų96.138%0.37647%0.466SS..THydrogen-bonded Turntrans-135.5-13.4-166-75.6-72.3000118.9K2 D52 Y54 A58 E59 I60K2-Y56 HydrophobicContact CD-CD1 3.83Å; K2-Y56 HydrophobicContact CD-CD2 2.72Å; K2-Y56 HydrophobicContact CD-CE1 3.79Å; K2-Y56 HydrophobicContact CD-CE2 2.67Å; K2-Y56 HydrophobicContact CD-CG 3.33Å; K2-Y56 WeakPolarHBondContact CE-OH 3.38Å; K2-Y56 HydrophobicContact CG-CD1 4.38Å; K2-Y56 HydrophobicContact CG-CD2 3.96Å; K2-Y56 HydrophobicContact CG-CE2 4.18Å; K2-Y56 HydrophobicContact CG-CG 4.06Å; K2-Y56 PolarHBondContact NZ-OH 2.63Å; D52-Y56 WeakPolarHBondContact O-CD2 3.23Å; D52-Y56 WeakPolarHBondContact O-CE2 3.49Å; Y54-Y56 VanDerWaalsContact C-N 3.3Å; Y54-Y56 PolarHBondContact O-N 2.91Å; Y56-A58 VanDerWaalsContact C-N 3.31Å; Y56-E59 HydrophobicContact CD1-CB 4.34Å; Y56-I60 WeakPolarHBondContact O-CB 3.15Å; Y56-I60 WeakPolarHBondContact O-CD1 3.1Å; Y56-I60 WeakPolarHBondContact O-CG1 3.22Å; Y56-I60 PolarHBondContact O-N 3.19Å
57E51Low53.8Low114 Ų11495.2 Ų95.253%0.53346%0.461SS..Hα-helixtrans-62.4-41.9166.9-174.5177.5178.100110.8I60 T61E57-I60 PolarHBondContact O-N 3.27Å; E57-T61 VanDerWaalsContact O-CB 3.32Å; E57-T61 WeakPolarHBondContact O-CB 3.43Å; E57-T61 PolarHBondContact O-N 2.7Å; E57-T61 PolarHBondContact O-OG1 2.97Å
58A60.3Low54.1Low75 Ų7590 Ų9062%0.6245%0.447SS*.Hα-helixtrans-63.4-48.3-179.200000113.6Y56 I60 T61 K62Y56-A58 VanDerWaalsContact C-N 3.31Å; A58-I60 VanDerWaalsContact C-N 3.35Å; A58-I60 PolarHBondContact O-N 2.9Å; A58-T61 PolarHBondContact O-N 3.37Å; A58-K62 VanDerWaalsContact O-CB 3.22Å; A58-K62 WeakPolarHBondContact O-CB 3.48Å; A58-K62 PolarHBondContact O-N 2.57Å
59E61.6Low54.7Low59 Ų5990 Ų9028%0.27645%0.449SS..Hα-helixtrans-69.3-33.2179.917957.7-151.600112Y56 K62 Q63Y56-E59 HydrophobicContact CD1-CB 4.34Å; E59-K62 IonicContact OE1-NZ 2.68Å; E59-K62 WeakPolarHBondContact OE2-CD 3.42Å; E59-K62 IonicContact OE2-NZ 3.84Å; E59-K62 PolarHBondContact OE2-NZ 3.08Å; E59-Q63 WeakPolarHBondContact O-CG 3.3Å; E59-Q63 PolarHBondContact O-N 3.06Å; E59-Q63 VanDerWaalsContact O-N 3.08Å; E59-Q63 PolarHBondContact OE1-NE2 2.74Å
60I56Low55.1Low13 Ų1391 Ų917%0.06745%0.452CS..Hα-helixtrans-65.4-48.7172.2-78.3170.8000111L5 L6 L9 Y56 E57 A58 Q63 I64 V88L5-I60 HydrophobicContact CD2-CD1 3.9Å; L5-I60 HydrophobicContact CG-CD1 4.17Å; L6-I60 HydrophobicContact CD1-CG1 3.87Å; L9-I60 HydrophobicContact CD1-CB 4.34Å; L9-I60 HydrophobicContact CD1-CD1 4.49Å; L9-I60 HydrophobicContact CD1-CG1 4.13Å; L9-I60 HydrophobicContact CD1-CG2 3.49Å; L9-I60 VanDerWaalsContact CD1-CG2 3.49Å; Y56-I60 WeakPolarHBondContact O-CB 3.15Å; Y56-I60 WeakPolarHBondContact O-CD1 3.1Å; Y56-I60 WeakPolarHBondContact O-CG1 3.22Å; Y56-I60 PolarHBondContact O-N 3.19Å; E57-I60 PolarHBondContact O-N 3.27Å; A58-I60 VanDerWaalsContact C-N 3.35Å; A58-I60 PolarHBondContact O-N 2.9Å; I60-Q63 PolarHBondContact O-N 2.91Å; I60-I64 HydrophobicContact CG2-CD1 4.01Å; I60-I64 WeakPolarHBondContact O-CG1 3.33Å; I60-I64 PolarHBondContact O-N 3.39Å; I60-V88 HydrophobicContact CG2-CB 4.2Å; I60-V88 HydrophobicContact CG2-CG1 3.62Å; I60-V88 HydrophobicContact CG2-CG2 3.46Å; I60-V88 VanDerWaalsContact CG2-CG2 3.46Å
61T60.2Low55.6Low37 Ų3782.5 Ų82.523%0.22741%0.412CS..Hα-helixtrans-60.4-48.9179.8-56.40000110.1E57 A58 Q63 I64 D65E57-T61 VanDerWaalsContact O-CB 3.32Å; E57-T61 WeakPolarHBondContact O-CB 3.43Å; E57-T61 PolarHBondContact O-N 2.7Å; E57-T61 PolarHBondContact O-OG1 2.97Å; A58-T61 PolarHBondContact O-N 3.37Å; T61-Q63 VanDerWaalsContact C-N 3.31Å; T61-Q63 PolarHBondContact O-N 3.45Å; T61-I64 CarbonylContact O-C 3.57Å; T61-I64 WeakPolarHBondContact O-CA 3.33Å; T61-I64 PolarHBondContact O-N 2.89Å; T61-D65 PolarHBondContact O-N 3.07Å
62K65.2Low56.1Low115 Ų11581.1 Ų81.150%0.541%0.411SS..Hα-helixtrans-54.1-40173.3173-176.6153.5-147.70113.6A58 E59 V66A58-K62 VanDerWaalsContact O-CB 3.22Å; A58-K62 WeakPolarHBondContact O-CB 3.48Å; A58-K62 PolarHBondContact O-N 2.57Å; E59-K62 IonicContact OE1-NZ 2.68Å; E59-K62 WeakPolarHBondContact OE2-CD 3.42Å; E59-K62 IonicContact OE2-NZ 3.84Å; E59-K62 PolarHBondContact OE2-NZ 3.08Å; K62-V66 VanDerWaalsContact O-CG2 3.32Å; K62-V66 WeakPolarHBondContact O-CG2 3.34Å; K62-V66 PolarHBondContact O-N 3.33Å
63Q62.2Low56.3Low43 Ų4380.8 Ų80.820%0.20142%0.419CS..Hα-helixtrans-68.4-38.3175.4-75.8179.23100112N10 E59 I60 T61 I67N10-Q63 PolarHBondContact ND2-OE1 2.86Å; E59-Q63 WeakPolarHBondContact O-CG 3.3Å; E59-Q63 PolarHBondContact O-N 3.06Å; E59-Q63 VanDerWaalsContact O-N 3.08Å; E59-Q63 PolarHBondContact OE1-NE2 2.74Å; I60-Q63 PolarHBondContact O-N 2.91Å; T61-Q63 VanDerWaalsContact C-N 3.31Å; T61-Q63 PolarHBondContact O-N 3.45Å; Q63-I67 WeakPolarHBondContact O-CD1 3.37Å; Q63-I67 PolarHBondContact O-N 3.48Å
64I61.3Low56.9Low1 Ų179 Ų791%0.00541%0.411CS..Hα-helixtrans-67.7-42174.8-61.7163.2000110.7L9 I60 T61 V66 I67 A68 V81 L84 H85 V88L9-I64 HydrophobicContact CD1-CD1 4.44Å; L9-I64 HydrophobicContact CD2-CD1 3.89Å; L9-I64 HydrophobicContact CD2-CG1 4.07Å; I60-I64 HydrophobicContact CG2-CD1 4.01Å; I60-I64 WeakPolarHBondContact O-CG1 3.33Å; I60-I64 PolarHBondContact O-N 3.39Å; T61-I64 CarbonylContact O-C 3.57Å; T61-I64 WeakPolarHBondContact O-CA 3.33Å; T61-I64 PolarHBondContact O-N 2.89Å; I64-V66 PolarHBondContact O-N 3.49Å; I64-I67 PolarHBondContact O-N 3.35Å; I64-A68 PolarHBondContact O-N 2.95Å; I64-V81 HydrophobicContact CG2-CG1 3.96Å; I64-L84 HydrophobicContact CD1-CB 4.05Å; I64-L84 HydrophobicContact CG2-CB 4.46Å; I64-H85 WeakPolarHBondContact CB-NE2 3.41Å; I64-H85 VanDerWaalsContact CG2-NE2 3.32Å; I64-H85 WeakPolarHBondContact CG2-NE2 3.32Å; I64-V88 HydrophobicContact CD1-CG2 3.95Å
65D64.3Low57.3Low67 Ų6776.9 Ų76.936%0.35841%0.408SS..Hα-helixtrans-61.4-41.9177.5-72.3-33.8000112.7T61 I67 A68 Q69 H85T61-D65 PolarHBondContact O-N 3.07Å; D65-I67 VanDerWaalsContact C-N 3.31Å; D65-I67 PolarHBondContact O-N 3.47Å; D65-A68 WeakPolarHBondContact O-CB 3.12Å; D65-A68 PolarHBondContact O-N 3.09Å; D65-Q69 WeakPolarHBondContact O-CG 3.42Å; D65-Q69 PolarHBondContact O-N 3.31Å; D65-H85 IonicContact OD1-CE1 3.14Å; D65-H85 PolarHBondContact OD1-CE1 3.22Å; D65-H85 IonicContact OD1-NE2 3.42Å
66V62.2Low57.4Low63 Ų6372.6 Ų72.638%0.38239%0.394SS..Hα-helixtrans-59.6-42.4174.5166.70000110.8K62 I64 Q69 E70K62-V66 VanDerWaalsContact O-CG2 3.32Å; K62-V66 WeakPolarHBondContact O-CG2 3.34Å; K62-V66 PolarHBondContact O-N 3.33Å; I64-V66 PolarHBondContact O-N 3.49Å; V66-Q69 PolarHBondContact O-N 3.03Å; V66-E70 WeakPolarHBondContact O-CG 3.2Å; V66-E70 PolarHBondContact O-N 3.08Å
67I55.6Low57.5Low11 Ų1168.4 Ų68.46%0.05638%0.378CS..Hα-helixtrans-73-31.3177-81.283.8000111.9L13 L16 Q63 I64 D65 Q69 E70 L71L13-I67 HydrophobicContact CB-CG1 4.43Å; L13-I67 HydrophobicContact CD1-CD1 4.12Å; L13-I67 HydrophobicContact CD2-CB 3.78Å; L13-I67 HydrophobicContact CD2-CD1 4.13Å; L13-I67 HydrophobicContact CD2-CG1 3.8Å; L13-I67 HydrophobicContact CD2-CG2 3.66Å; L13-I67 HydrophobicContact CG-CG1 4.49Å; L16-I67 HydrophobicContact CD2-CG2 4.26Å; Q63-I67 WeakPolarHBondContact O-CD1 3.37Å; Q63-I67 PolarHBondContact O-N 3.48Å; I64-I67 PolarHBondContact O-N 3.35Å; D65-I67 VanDerWaalsContact C-N 3.31Å; D65-I67 PolarHBondContact O-N 3.47Å; I67-Q69 PolarHBondContact O-N 3.11Å; I67-E70 PolarHBondContact O-N 2.94Å; I67-L71 HydrophobicContact CG2-CD1 3.48Å; I67-L71 VanDerWaalsContact CG2-CD1 3.48Å; I67-L71 HydrophobicContact CG2-CG 3.99Å; I67-L71 WeakPolarHBondContact O-CB 3.2Å; I67-L71 WeakPolarHBondContact O-CG 3.33Å; I67-L71 PolarHBondContact O-N 3.26Å
68A57.7Low57.9Low43 Ų4366 Ų6636%0.35537%0.371SS..Hα-helixtrans-63.4-31.3172.500000112.3I64 D65 V81I64-A68 PolarHBondContact O-N 2.95Å; D65-A68 WeakPolarHBondContact O-CB 3.12Å; D65-A68 PolarHBondContact O-N 3.09Å; A68-V81 HydrophobicContact CB-CG1 3.85Å; A68-V81 HydrophobicContact CB-CG2 4.25Å
69Q60.5Low57.7Low156 Ų15666.1 Ų66.173%0.72936%0.359SS*.Hα-helixtrans-76.7-42.8172.4-66.9169.318.100112.2D65 V66 I67 L71D65-Q69 WeakPolarHBondContact O-CG 3.42Å; D65-Q69 PolarHBondContact O-N 3.31Å; V66-Q69 PolarHBondContact O-N 3.03Å; I67-Q69 PolarHBondContact O-N 3.11Å; Q69-L71 PolarHBondContact O-N 3.32Å
70E54.1Low57.4Low93 Ų9364 Ų6444%0.43535%0.349SS..Hα-helixtrans-64.7-36.2-179.7-75.9176.1-177.100114.1R17 V66 I67 S72R17-E70 IonicContact CZ-OE1 2.76Å; R17-E70 IonicContact CZ-OE2 2.69Å; R17-E70 IonicContact NE-OE2 3.82Å; R17-E70 PolarHBondContact NE-OE2 3.14Å; R17-E70 IonicContact NH2-OE1 2.82Å; R17-E70 PolarHBondContact NH2-OE1 2.96Å; R17-E70 IonicContact NH2-OE2 2.87Å; R17-E70 PolarHBondContact NH2-OE2 2.91Å; V66-E70 WeakPolarHBondContact O-CG 3.2Å; V66-E70 PolarHBondContact O-N 3.08Å; I67-E70 PolarHBondContact O-N 2.94Å; E70-S72 PolarHBondContact O-N 3.08Å
71L53.3Low57.6Low18 Ų1864 Ų649%0.09435%0.35CS..THydrogen-bonded Turntrans-99.737.1-167.7-60.7-176.5000114.2L16 R17 V20 I67 Q69 S73 V77L16-L71 HydrophobicContact CB-CD1 4.45Å; L16-L71 HydrophobicContact CD2-CD1 3.29Å; L16-L71 HydrophobicContact CG-CD1 3.56Å; R17-L71 HydrophobicContact CG-CD2 4.3Å; V20-L71 HydrophobicContact CB-CD2 4.43Å; V20-L71 HydrophobicContact CG1-CD2 4.38Å; V20-L71 HydrophobicContact CG2-CD1 4.35Å; V20-L71 HydrophobicContact CG2-CD2 4.29Å; I67-L71 HydrophobicContact CG2-CD1 3.48Å; I67-L71 VanDerWaalsContact CG2-CD1 3.48Å; I67-L71 HydrophobicContact CG2-CG 3.99Å; I67-L71 WeakPolarHBondContact O-CB 3.2Å; I67-L71 WeakPolarHBondContact O-CG 3.33Å; I67-L71 PolarHBondContact O-N 3.26Å; Q69-L71 PolarHBondContact O-N 3.32Å; L71-S73 PolarHBondContact O-N 2.99Å; L71-V77 HydrophobicContact CB-CG1 3.61Å; L71-V77 HydrophobicContact CB-CG2 4.37Å; L71-V77 HydrophobicContact CD1-CG1 4.15Å
72S53.5Low57.7Low79 Ų7967.5 Ų67.555%0.55236%0.362SS*.THydrogen-bonded Turntrans0.6101.9170.460.30000117.8E70 N74E70-S72 PolarHBondContact O-N 3.08Å; S72-N74 VanDerWaalsContact C-N 3.29Å; S72-N74 PolarHBondContact O-N 3.29Å
73S52.6Low57.3Low118 Ų11862.5 Ų62.583%0.82534%0.341SS*.THydrogen-bonded Turntrans56.914.1153.355.40000119.9L71L71-S73 PolarHBondContact O-N 2.99Å
74N57.4Low57.2Low76 Ų7660.7 Ų60.741%0.40633%0.333SS..  trans-74.4130165.7-169.9-55.3000110S72 T76 V77 T78S72-N74 VanDerWaalsContact C-N 3.29Å; S72-N74 PolarHBondContact O-N 3.29Å; N74-T76 VanDerWaalsContact C-N 3.26Å; N74-T76 PolarHBondContact O-N 3.26Å; N74-T76 WeakPolarHBondContact OD1-CB 3.27Å; N74-T76 PolarHBondContact OD1-N 2.93Å; N74-T76 PolarHBondContact OD1-OG1 2.79Å; N74-V77 HydrophobicContact CB-CB 4.12Å; N74-V77 HydrophobicContact CB-CG2 3.9Å; N74-V77 WeakPolarHBondContact O-CB 3.48Å; N74-V77 PolarHBondContact O-N 3.13Å; N74-T78 PolarHBondContact O-N 3.25Å; N74-T78 PolarHBondContact O-OG1 3.13Å
75E55.5Low57.3Low167 Ų16762.9 Ų62.978%0.7834%0.343SS*.Hα-helixtrans-59-38.3179.7-171.9-177.8179.400111.9V77 T78 E79E75-V77 PolarHBondContact O-N 3.48Å; E75-T78 WeakPolarHBondContact O-CB 3.41Å; E75-T78 PolarHBondContact O-N 3.21Å; E75-E79 PolarHBondContact O-N 2.9Å
76T50.6Low57Low80 Ų8062 Ų6249%0.49134%0.342SS..Hα-helixtrans-64.2-42.2178.5-48.80000111.5N74 Y80N74-T76 VanDerWaalsContact C-N 3.26Å; N74-T76 PolarHBondContact O-N 3.26Å; N74-T76 WeakPolarHBondContact OD1-CB 3.27Å; N74-T76 PolarHBondContact OD1-N 2.93Å; N74-T76 PolarHBondContact OD1-OG1 2.79Å; T76-Y80 VanDerWaalsContact O-CB 3.26Å; T76-Y80 WeakPolarHBondContact O-CB 3.46Å; T76-Y80 PolarHBondContact O-N 3.43Å
77V52.5Low56.7Low8 Ų860 Ų605%0.04833%0.329CS..Hα-helixtrans-64.1-44.5174169.50000110.2L16 V20 L71 N74 E75 E79 Y80 V81L16-V77 HydrophobicContact CD1-CG2 4.34Å; V20-V77 HydrophobicContact CG2-CG2 3.82Å; L71-V77 HydrophobicContact CB-CG1 3.61Å; L71-V77 HydrophobicContact CB-CG2 4.37Å; L71-V77 HydrophobicContact CD1-CG1 4.15Å; N74-V77 HydrophobicContact CB-CB 4.12Å; N74-V77 HydrophobicContact CB-CG2 3.9Å; N74-V77 WeakPolarHBondContact O-CB 3.48Å; N74-V77 PolarHBondContact O-N 3.13Å; E75-V77 PolarHBondContact O-N 3.48Å; V77-E79 PolarHBondContact O-N 2.9Å; V77-Y80 PolarHBondContact O-N 3.43Å; V77-V81 HydrophobicContact CG1-CG2 4.26Å; V77-V81 WeakPolarHBondContact O-CB 3.37Å; V77-V81 WeakPolarHBondContact O-CG2 3.25Å; V77-V81 PolarHBondContact O-N 2.72Å
78T60.3Low56.7Low64 Ų6460.5 Ų60.539%0.39333%0.332SS..Hα-helixtrans-60.4-46-177.9-56.70000111.4N74 E75 V81 K82N74-T78 PolarHBondContact O-N 3.25Å; N74-T78 PolarHBondContact O-OG1 3.13Å; E75-T78 WeakPolarHBondContact O-CB 3.41Å; E75-T78 PolarHBondContact O-N 3.21Å; T78-V81 PolarHBondContact O-N 2.88Å; T78-K82 WeakPolarHBondContact O-CG 3.32Å; T78-K82 PolarHBondContact O-N 3.17Å; T78-K82 VanDerWaalsContact O-N 3.15Å
79E55.8Low56.6Low78 Ų7865.8 Ų65.836%0.36435%0.347SS..Hα-helixtrans-69.9-37.2177.3-168.960.5-166.400112.2E75 V77 K82 C83E75-E79 PolarHBondContact O-N 2.9Å; V77-E79 PolarHBondContact O-N 2.9Å; E79-K82 PolarHBondContact O-N 2.86Å; E79-K82 WeakPolarHBondContact OE2-CD 3.45Å; E79-K82 IonicContact OE2-NZ 2.63Å; E79-K82 PolarHBondContact OE2-NZ 2.86Å; E79-C83 VanDerWaalsContact O-CB 3.24Å; E79-C83 WeakPolarHBondContact O-CB 3.24Å; E79-C83 PolarHBondContact O-N 3.33Å
80Y55.3Low56.3Low13 Ų1362.6 Ų62.65%0.05133%0.333CS..Hα-helixtrans-62.8-42.1174.1-172.8-92.5000112.3L12 L16 T76 V77 C83 L84 V119 Y123L12-Y80 WeakPolarHBondContact CB-OH 3.37Å; L12-Y80 WeakPolarHBondContact CD2-OH 3.3Å; L12-Y80 PolarHBondContact O-OH 3.49Å; L16-Y80 HydrophobicContact CB-CE1 4.27Å; L16-Y80 HydrophobicContact CD1-CD1 4.11Å; L16-Y80 HydrophobicContact CD1-CE1 4.13Å; L16-Y80 HydrophobicContact CD1-CG 4.49Å; L16-Y80 HydrophobicContact CD2-CD1 3.72Å; L16-Y80 HydrophobicContact CD2-CE1 3.77Å; L16-Y80 HydrophobicContact CG-CD1 4.47Å; L16-Y80 HydrophobicContact CG-CE1 4.3Å; T76-Y80 VanDerWaalsContact O-CB 3.26Å; T76-Y80 WeakPolarHBondContact O-CB 3.46Å; T76-Y80 PolarHBondContact O-N 3.43Å; V77-Y80 PolarHBondContact O-N 3.43Å; Y80-C83 VanDerWaalsContact O-CB 3.23Å; Y80-C83 WeakPolarHBondContact O-CB 3.49Å; Y80-C83 PolarHBondContact O-N 2.92Å; Y80-L84 HydrophobicContact CD1-CD1 4.08Å; Y80-L84 HydrophobicContact CD1-CG 4.25Å; Y80-L84 HydrophobicContact CE1-CD1 3.88Å; Y80-L84 HydrophobicContact CE1-CD2 4.44Å; Y80-L84 HydrophobicContact CE1-CG 4.24Å; Y80-L84 WeakPolarHBondContact O-CG 3.48Å; Y80-L84 PolarHBondContact O-N 3.49Å; Y80-V119 HydrophobicContact CE2-CG1 4.2Å; Y80-V119 VanDerWaalsContact OH-CG1 3.31Å; Y80-V119 WeakPolarHBondContact OH-CG1 3.26Å; Y80-Y123 AromaticContact CD2-CD2 3.7Å; Y80-Y123 HydrophobicContact CD2-CD2 3.7Å; Y80-Y123 HydrophobicContact CD2-CE2 4.27Å; Y80-Y123 HydrophobicContact CD2-CG 4.09Å; Y80-Y123 HydrophobicContact CE2-CD2 4.42Å; Y80-Y123 HydrophobicContact CE2-CG 4.5Å
81V59.2Low56.1Low15 Ų1562.2 Ų62.29%0.09133%0.33CS..Hα-helixtrans-61.8-47175.5162.50000111.6I64 A68 V77 T78 C83 L84 H85I64-V81 HydrophobicContact CG2-CG1 3.96Å; A68-V81 HydrophobicContact CB-CG1 3.85Å; A68-V81 HydrophobicContact CB-CG2 4.25Å; V77-V81 HydrophobicContact CG1-CG2 4.26Å; V77-V81 WeakPolarHBondContact O-CB 3.37Å; V77-V81 WeakPolarHBondContact O-CG2 3.25Å; V77-V81 PolarHBondContact O-N 2.72Å; T78-V81 PolarHBondContact O-N 2.88Å; V81-C83 VanDerWaalsContact C-N 3.26Å; V81-C83 PolarHBondContact O-N 2.99Å; V81-L84 PolarHBondContact O-N 3.42Å; V81-H85 PolarHBondContact O-N 2.76Å
82K62.2Low55.7Low110 Ų11067 Ų6748%0.47836%0.36SS..Hα-helixtrans-57.2-42.9172.6-66.6176.9-151.6154.80111.4T78 E79 L84 H85 S86T78-K82 WeakPolarHBondContact O-CG 3.32Å; T78-K82 PolarHBondContact O-N 3.17Å; T78-K82 VanDerWaalsContact O-N 3.15Å; E79-K82 PolarHBondContact O-N 2.86Å; E79-K82 WeakPolarHBondContact OE2-CD 3.45Å; E79-K82 IonicContact OE2-NZ 2.63Å; E79-K82 PolarHBondContact OE2-NZ 2.86Å; K82-L84 PolarHBondContact O-N 2.8Å; K82-H85 PolarHBondContact O-N 3.19Å; K82-S86 PolarHBondContact O-N 3.36Å; K82-S86 PolarHBondContact O-OG 2.96Å
83C58.4Low55.3Low9 Ų966.5 Ų66.56%0.06135%0.353CS..Hα-helixtrans-59.6-44.2179.4-160.60000111.3E79 Y80 V81 S86 L87 V126 N130E79-C83 VanDerWaalsContact O-CB 3.24Å; E79-C83 WeakPolarHBondContact O-CB 3.24Å; E79-C83 PolarHBondContact O-N 3.33Å; Y80-C83 VanDerWaalsContact O-CB 3.23Å; Y80-C83 WeakPolarHBondContact O-CB 3.49Å; Y80-C83 PolarHBondContact O-N 2.92Å; V81-C83 VanDerWaalsContact C-N 3.26Å; V81-C83 PolarHBondContact O-N 2.99Å; C83-S86 PolarHBondContact O-N 3.32Å; C83-L87 WeakPolarHBondContact O-CG 3.5Å; C83-L87 PolarHBondContact O-N 2.97Å; C83-L87 VanDerWaalsContact O-N 3.08Å; C83-V126 WeakPolarHBondContact SG-CG1 3.32Å; C83-N130 PolarHBondContact SG-ND2 3.05Å
84L59.4Low54.8Low6 Ų671.8 Ų71.83%0.03136%0.355CS..Hα-helixtrans-62.1-44172.6-63.5-176.9000112.4L9 L12 L13 I64 Y80 V81 K82 S86 L87 V88L9-L84 HydrophobicContact CD2-CB 4.3Å; L9-L84 HydrophobicContact CD2-CD1 4.06Å; L9-L84 HydrophobicContact CD2-CD2 4.1Å; L9-L84 HydrophobicContact CD2-CG 4.38Å; L12-L84 HydrophobicContact CD1-CD2 3.88Å; L13-L84 HydrophobicContact CD2-CD1 4.25Å; I64-L84 HydrophobicContact CD1-CB 4.05Å; I64-L84 HydrophobicContact CG2-CB 4.46Å; Y80-L84 HydrophobicContact CD1-CD1 4.08Å; Y80-L84 HydrophobicContact CD1-CG 4.25Å; Y80-L84 HydrophobicContact CE1-CD1 3.88Å; Y80-L84 HydrophobicContact CE1-CD2 4.44Å; Y80-L84 HydrophobicContact CE1-CG 4.24Å; Y80-L84 WeakPolarHBondContact O-CG 3.48Å; Y80-L84 PolarHBondContact O-N 3.49Å; V81-L84 PolarHBondContact O-N 3.42Å; K82-L84 PolarHBondContact O-N 2.8Å; L84-S86 PolarHBondContact O-N 3Å; L84-L87 HydrophobicContact CD2-CD1 4.47Å; L84-L87 WeakPolarHBondContact O-CB 3.41Å; L84-L87 PolarHBondContact O-N 2.69Å; L84-V88 WeakPolarHBondContact O-CG2 3.44Å; L84-V88 PolarHBondContact O-N 2.87Å; L84-V88 VanDerWaalsContact O-N 3.09Å
85H62.5Low54.3Low46 Ų4670.5 Ų70.521%0.21336%0.359CS..Hα-helixtrans-62.6-39.7177.5-80.1153.4000113.2I64 D65 V81 K82I64-H85 WeakPolarHBondContact CB-NE2 3.41Å; I64-H85 VanDerWaalsContact CG2-NE2 3.32Å; I64-H85 WeakPolarHBondContact CG2-NE2 3.32Å; D65-H85 IonicContact OD1-CE1 3.14Å; D65-H85 PolarHBondContact OD1-CE1 3.22Å; D65-H85 IonicContact OD1-NE2 3.42Å; V81-H85 PolarHBondContact O-N 2.76Å; K82-H85 PolarHBondContact O-N 3.19Å
86S57.6Low53.8Low48 Ų4863.1 Ų63.134%0.33633%0.326SS..Hα-helixtrans-65.2-42.3174.5-65.90000112.3K82 C83 L84 V88 K89 Q90K82-S86 PolarHBondContact O-N 3.36Å; K82-S86 PolarHBondContact O-OG 2.96Å; C83-S86 PolarHBondContact O-N 3.32Å; L84-S86 PolarHBondContact O-N 3Å; S86-V88 PolarHBondContact O-N 3.47Å; S86-K89 PolarHBondContact O-N 3.03Å; S86-Q90 WeakPolarHBondContact O-CG 3.12Å; S86-Q90 PolarHBondContact O-N 2.84Å
87L56.5Low53.4Low21 Ų2166.6 Ų66.611%0.1133%0.33CS..Hα-helixtrans-58.8-46.7177-79.3179.3000113C83 L84 K89 Q90 F91 V126C83-L87 WeakPolarHBondContact O-CG 3.5Å; C83-L87 PolarHBondContact O-N 2.97Å; C83-L87 VanDerWaalsContact O-N 3.08Å; L84-L87 HydrophobicContact CD2-CD1 4.47Å; L84-L87 WeakPolarHBondContact O-CB 3.41Å; L84-L87 PolarHBondContact O-N 2.69Å; L87-K89 PolarHBondContact O-N 3.18Å; L87-Q90 PolarHBondContact O-N 2.94Å; L87-F91 HydrophobicContact CB-CD2 4.03Å; L87-F91 HydrophobicContact CB-CE2 3.72Å; L87-F91 HydrophobicContact CD1-CE2 4.03Å; L87-F91 HydrophobicContact CD1-CZ 4.42Å; L87-F91 HydrophobicContact CD2-CD2 4.47Å; L87-F91 HydrophobicContact CD2-CE1 4.45Å; L87-F91 HydrophobicContact CD2-CE2 3.72Å; L87-F91 HydrophobicContact CD2-CZ 3.69Å; L87-F91 HydrophobicContact CG-CE2 4.04Å; L87-F91 HydrophobicContact CG-CZ 4.45Å; L87-F91 VanDerWaalsContact O-CD2 3.3Å; L87-F91 WeakPolarHBondContact O-CD2 3.32Å; L87-F91 PolarHBondContact O-N 3.25Å; L87-F91 VanDerWaalsContact O-N 3.08Å; L87-V126 HydrophobicContact CD1-CG1 3.91Å; L87-V126 HydrophobicContact CD1-CG2 3.97Å; L87-V126 HydrophobicContact CD2-CB 4.45Å; L87-V126 HydrophobicContact CD2-CG1 3.5Å; L87-V126 HydrophobicContact CD2-CG2 4Å; L87-V126 HydrophobicContact CG-CG1 3.67Å; L87-V126 HydrophobicContact CG-CG2 4.42Å
88V55.1Low53.2Low22 Ų2272 Ų7213%0.13335%0.354CS..Hα-helixtrans-57.2-35.5-178.2167.60000111.6L9 I60 I64 L84 S86L9-V88 HydrophobicContact CD1-CG2 4.33Å; I60-V88 HydrophobicContact CG2-CB 4.2Å; I60-V88 HydrophobicContact CG2-CG1 3.62Å; I60-V88 HydrophobicContact CG2-CG2 3.46Å; I60-V88 VanDerWaalsContact CG2-CG2 3.46Å; I64-V88 HydrophobicContact CD1-CG2 3.95Å; L84-V88 WeakPolarHBondContact O-CG2 3.44Å; L84-V88 PolarHBondContact O-N 2.87Å; L84-V88 VanDerWaalsContact O-N 3.09Å; S86-V88 PolarHBondContact O-N 3.47Å
89K56.9Low52.6Low154 Ų15472.9 Ų72.967%0.6735%0.354SS*.Hα-helixtrans-78.7-13.4179.5-66.9-177.2176.1-174.90114.7S86 L87S86-K89 PolarHBondContact O-N 3.03Å; L87-K89 PolarHBondContact O-N 3.18Å
90Q54.6Low52Low90 Ų9070.6 Ų70.642%0.42134%0.343SS..Hα-helixtrans-114.2-20.3-172.3-67.2177.64.900114S86 L87 T92S86-Q90 WeakPolarHBondContact O-CG 3.12Å; S86-Q90 PolarHBondContact O-N 2.84Å; L87-Q90 PolarHBondContact O-N 2.94Å; Q90-T92 PolarHBondContact O-N 2.93Å
91F50Low51.8Low85 Ų8573.2 Ų73.237%0.37336%0.358SS..  trans-71.1115.1-173.5-86.8-50.5000114L5 L87 L96L5-F91 HydrophobicContact CD1-CD2 3.93Å; L5-F91 HydrophobicContact CD1-CE2 4.26Å; L87-F91 HydrophobicContact CB-CD2 4.03Å; L87-F91 HydrophobicContact CB-CE2 3.72Å; L87-F91 HydrophobicContact CD1-CE2 4.03Å; L87-F91 HydrophobicContact CD1-CZ 4.42Å; L87-F91 HydrophobicContact CD2-CD2 4.47Å; L87-F91 HydrophobicContact CD2-CE1 4.45Å; L87-F91 HydrophobicContact CD2-CE2 3.72Å; L87-F91 HydrophobicContact CD2-CZ 3.69Å; L87-F91 HydrophobicContact CG-CE2 4.04Å; L87-F91 HydrophobicContact CG-CZ 4.45Å; L87-F91 VanDerWaalsContact O-CD2 3.3Å; L87-F91 WeakPolarHBondContact O-CD2 3.32Å; L87-F91 PolarHBondContact O-N 3.25Å; L87-F91 VanDerWaalsContact O-N 3.08Å; F91-L96 HydrophobicContact CD1-CD2 4.33Å; F91-L96 HydrophobicContact CE1-CD2 4.15Å; F91-L96 HydrophobicContact CE2-CD2 4.32Å; F91-L96 HydrophobicContact CZ-CD2 4.14Å
92T43.9Very low51.4Low118 Ų11876.2 Ų76.272%0.72437%0.373SS*.  trans-82.4138.8160.157.30000110.8Q90 R94Q90-T92 PolarHBondContact O-N 2.93Å; T92-R94 PolarHBondContact O-N 3.47Å
93V44.9Very low50.6Low68 Ų6871.7 Ų71.741%0.41236%0.355SS..THydrogen-bonded Turntrans-62.1-17-160.4174.70000115.3M1M1-V93 HydrophobicContact CB-CG1 3.59Å; M1-V93 HydrophobicContact CE-CG1 3.66Å; M1-V93 HydrophobicContact CG-CG1 4.19Å; M1-V93 HydrophobicContact SD-CG1 3.65Å
94R43.5Very low50Low229 Ų22972.2 Ų72.286%0.86436%0.358SS*.THydrogen-bonded Turntrans-76.2-38.2-167.8-165.6176.5-175.2179.61.8114.8T92T92-R94 PolarHBondContact O-N 3.47Å
95G45.1Very low49.6Very low49 Ų4975.5 Ų75.551%0.50538%0.382SS..THydrogen-bonded Turntrans-68.2-38.4-173.200000113.6R97G95-R97 PolarHBondContact O-N 3.37Å
96L44.8Very low48.9Very low13 Ų1376.4 Ų76.47%0.06839%0.388CS..Hα-helixtrans-57.5-27.1-172.6-64.8171.6000114.3L4 L5 F91 F100L4-L96 HydrophobicContact CD2-CB 3.68Å; L4-L96 HydrophobicContact CG-CB 4.07Å; L5-L96 HydrophobicContact CB-CD1 4.23Å; L5-L96 HydrophobicContact CD1-CD1 4.43Å; F91-L96 HydrophobicContact CD1-CD2 4.33Å; F91-L96 HydrophobicContact CE1-CD2 4.15Å; F91-L96 HydrophobicContact CE2-CD2 4.32Å; F91-L96 HydrophobicContact CZ-CD2 4.14Å; L96-F100 WeakPolarHBondContact O-CB 3.43Å; L96-F100 PolarHBondContact O-N 3.44Å
97R43.5Very low48.3Very low152 Ų15275.2 Ų75.257%0.57438%0.378SS*.Hα-helixtrans-71-36.8-171-172.1175.8178.6178.62.1113.8G95 F100 D101G95-R97 PolarHBondContact O-N 3.37Å; R97-F100 WeakPolarHBondContact O-CB 3.44Å; R97-F100 PolarHBondContact O-N 3.19Å; R97-D101 PolarHBondContact O-N 3.37Å
98Q48.8Very low47.9Very low122 Ų12280.3 Ų80.357%0.5741%0.405SS*.Hα-helixtrans-68.9-49.7176.8-174.259.456.200110.1F100 D101 D102Q98-F100 PolarHBondContact O-N 2.95Å; Q98-D101 PolarHBondContact O-N 2.94Å; Q98-D101 VanDerWaalsContact O-N 3.09Å; Q98-D102 PolarHBondContact NE2-OD1 3.23Å; Q98-D102 PolarHBondContact O-N 2.9Å; Q98-D102 VanDerWaalsContact O-N 3.11Å
99E46.3Very low47.7Very low82 Ų8282.6 Ų82.638%0.38342%0.422SS..Hα-helixtrans-57.4-23.4176.5-63.5-175.3-142.300113.3V103 K122E99-V103 VanDerWaalsContact O-CB 3.29Å; E99-V103 WeakPolarHBondContact O-CB 3.23Å; E99-V103 WeakPolarHBondContact O-CG2 3.37Å; E99-V103 PolarHBondContact O-N 2.91Å; E99-V103 VanDerWaalsContact O-N 3.07Å; E99-K122 IonicContact OE2-NZ 3.57Å; E99-K122 PolarHBondContact OE2-NZ 3.24Å
100F44.7Very low47.1Very low30 Ų3077.4 Ų77.413%0.13240%0.398CS..Hα-helixtrans-74-49.1174.6176.2-118.2000113.8L4 F7 L46 L96 R97 Q98 D102 V103 T104L4-F100 HydrophobicContact CD1-CB 3.48Å; L4-F100 VanDerWaalsContact CD1-CB 3.48Å; L4-F100 HydrophobicContact CD1-CD1 4.26Å; L4-F100 HydrophobicContact CD1-CD2 3.09Å; L4-F100 HydrophobicContact CD1-CE2 3.81Å; L4-F100 HydrophobicContact CD1-CG 3.33Å; L4-F100 HydrophobicContact CD2-CB 3.85Å; L4-F100 HydrophobicContact CD2-CG 4.18Å; L4-F100 HydrophobicContact CG-CB 4.3Å; L4-F100 HydrophobicContact CG-CD2 4.47Å; L4-F100 HydrophobicContact CG-CG 4.39Å; F7-F100 HydrophobicContact CD1-CD2 4.14Å; F7-F100 AromaticContact CD1-CE2 3.92Å; F7-F100 HydrophobicContact CD1-CE2 3.92Å; F7-F100 HydrophobicContact CE1-CD2 4.34Å; F7-F100 HydrophobicContact CE1-CE2 4.09Å; F7-F100 HydrophobicContact CG-CE2 4.47Å; L46-F100 HydrophobicContact CD1-CE2 3.44Å; L46-F100 VanDerWaalsContact CD1-CE2 3.44Å; L46-F100 HydrophobicContact CD1-CZ 3.61Å; L46-F100 HydrophobicContact CD2-CE1 4.49Å; L46-F100 HydrophobicContact CD2-CE2 4.3Å; L46-F100 HydrophobicContact CD2-CZ 3.95Å; L46-F100 HydrophobicContact CG-CE2 4.47Å; L46-F100 HydrophobicContact CG-CZ 4.27Å; L96-F100 WeakPolarHBondContact O-CB 3.43Å; L96-F100 PolarHBondContact O-N 3.44Å; R97-F100 WeakPolarHBondContact O-CB 3.44Å; R97-F100 PolarHBondContact O-N 3.19Å; Q98-F100 PolarHBondContact O-N 2.95Å; F100-D102 PolarHBondContact O-N 3.12Å; F100-V103 PolarHBondContact O-N 2.84Å; F100-T104 HydrophobicContact CD2-CG2 3.64Å; F100-T104 HydrophobicContact CE2-CG2 3.24Å; F100-T104 HydrophobicContact CZ-CG2 3.85Å; F100-T104 WeakPolarHBondContact O-CB 3.4Å; F100-T104 PolarHBondContact O-N 3.27Å; F100-T104 PolarHBondContact O-OG1 3.45Å
101D49.2Very low46.7Very low68 Ų6877.3 Ų77.336%0.36440%0.401SS..Hα-helixtrans-66.2-35.4-177.8-67.6-30.2000108.6R97 Q98 S105R97-D101 PolarHBondContact O-N 3.37Å; Q98-D101 PolarHBondContact O-N 2.94Å; Q98-D101 VanDerWaalsContact O-N 3.09Å; D101-S105 VanDerWaalsContact O-CB 3.28Å; D101-S105 WeakPolarHBondContact O-CB 3.37Å; D101-S105 PolarHBondContact O-N 2.84Å; D101-S105 VanDerWaalsContact O-N 3.12Å; D101-S105 PolarHBondContact O-OG 2.97Å
102D51.9Low46.4Very low79 Ų7975 Ų7542%0.42239%0.394SS..Hα-helixtrans-61.3-55.3168.9-53.7-16000111.9Q98 F100 T104 S105 D106Q98-D102 PolarHBondContact NE2-OD1 3.23Å; Q98-D102 PolarHBondContact O-N 2.9Å; Q98-D102 VanDerWaalsContact O-N 3.11Å; F100-D102 PolarHBondContact O-N 3.12Å; D102-T104 PolarHBondContact O-N 3.48Å; D102-S105 PolarHBondContact O-OG 3.3Å; D102-D106 PolarHBondContact O-N 3.48Å
103V45.8Very low46.5Very low15 Ų1573 Ų739%0.09138%0.384CS..Hα-helixtrans-66.1-36.7-177.21650000112.8E99 F100 I107 L118E99-V103 VanDerWaalsContact O-CB 3.29Å; E99-V103 WeakPolarHBondContact O-CB 3.23Å; E99-V103 WeakPolarHBondContact O-CG2 3.37Å; E99-V103 PolarHBondContact O-N 2.91Å; E99-V103 VanDerWaalsContact O-N 3.07Å; F100-V103 PolarHBondContact O-N 2.84Å; V103-I107 HydrophobicContact CG1-CD1 3.79Å; V103-I107 HydrophobicContact CG1-CG1 4.4Å; V103-I107 VanDerWaalsContact O-CG1 3.26Å; V103-I107 WeakPolarHBondContact O-CG1 3.4Å; V103-I107 PolarHBondContact O-N 2.84Å; V103-I107 VanDerWaalsContact O-N 3.14Å; V103-L118 HydrophobicContact CG2-CD1 4.41Å; V103-L118 HydrophobicContact CG2-CD2 4.14Å
104T44.6Very low46.7Very low19 Ų1977.1 Ų77.112%0.11739%0.393CS..Hα-helixtrans-88.8-19.8-174.956.10000115.4F7 F100 D102 I107F7-T104 HydrophobicContact CD1-CG2 4.43Å; F7-T104 HydrophobicContact CE1-CG2 3.51Å; F7-T104 HydrophobicContact CZ-CG2 3.65Å; F100-T104 HydrophobicContact CD2-CG2 3.64Å; F100-T104 HydrophobicContact CE2-CG2 3.24Å; F100-T104 HydrophobicContact CZ-CG2 3.85Å; F100-T104 WeakPolarHBondContact O-CB 3.4Å; F100-T104 PolarHBondContact O-N 3.27Å; F100-T104 PolarHBondContact O-OG1 3.45Å; D102-T104 PolarHBondContact O-N 3.48Å; T104-I107 HydrophobicContact CG2-CD1 4.47Å
105S52Low46.9Very low76 Ų7666.7 Ų66.753%0.53135%0.354SS..Hα-helixtrans-66.6-48.1165.553.70000110.4D101 D102D101-S105 VanDerWaalsContact O-CB 3.28Å; D101-S105 WeakPolarHBondContact O-CB 3.37Å; D101-S105 PolarHBondContact O-N 2.84Å; D101-S105 VanDerWaalsContact O-N 3.12Å; D101-S105 PolarHBondContact O-OG 2.97Å; D102-S105 PolarHBondContact O-OG 3.3Å
106D46.4Very low46.9Very low64 Ų6466.3 Ų66.334%0.34234%0.34SS..Hα-helixtrans-77.8-16.2-177.9-83-21.9000115.8D102 N108 S109 Y110D102-D106 PolarHBondContact O-N 3.48Å; D106-N108 PolarHBondContact O-N 2.76Å; D106-S109 WeakPolarHBondContact O-CA 3.39Å; D106-S109 PolarHBondContact O-N 2.8Å; D106-S109 PolarHBondContact O-OG 3.19Å; D106-Y110 HydrophobicContact CB-CD2 3.76Å; D106-Y110 HydrophobicContact CB-CE1 4.35Å; D106-Y110 HydrophobicContact CB-CE2 3.21Å; D106-Y110 WeakPolarHBondContact O-CD2 3.48Å; D106-Y110 PolarHBondContact O-N 3.32Å; D106-Y110 VanDerWaalsContact O-N 3.08Å; D106-Y110 PolarHBondContact OD2-OH 3.38Å
107I45.4Very low47.2Very low24 Ų2468.4 Ų68.412%0.12335%0.353CS..THydrogen-bonded Turntrans-57-23.3-179.3-96.1166.1000113.5F7 V103 T104 L115F7-I107 HydrophobicContact CE1-CD1 4.29Å; F7-I107 HydrophobicContact CZ-CD1 3.82Å; V103-I107 HydrophobicContact CG1-CD1 3.79Å; V103-I107 HydrophobicContact CG1-CG1 4.4Å; V103-I107 VanDerWaalsContact O-CG1 3.26Å; V103-I107 WeakPolarHBondContact O-CG1 3.4Å; V103-I107 PolarHBondContact O-N 2.84Å; V103-I107 VanDerWaalsContact O-N 3.14Å; T104-I107 HydrophobicContact CG2-CD1 4.47Å; I107-L115 HydrophobicContact CG1-CD2 4.12Å
108N47.8Very low47.5Very low127 Ų12763.3 Ų63.368%0.67934%0.337SS*.THydrogen-bonded Turntrans-80.1-18.5173.6-51.8-62.7000113.6D106D106-N108 PolarHBondContact O-N 2.76Å
109S51.8Low47.6Very low71 Ų7158 Ų5850%0.49731%0.313SS..THydrogen-bonded Turntrans-100.4-17.8-17978.80000113.4D106D106-S109 WeakPolarHBondContact O-CA 3.39Å; D106-S109 PolarHBondContact O-N 2.8Å; D106-S109 PolarHBondContact O-OG 3.19Å
110Y43.3Very low47.6Very low44 Ų4459 Ų5917%0.17332%0.316CS..  trans-82.2130.7-177.7-70.3-42.2000114.9D106 R114 L115 L118D106-Y110 HydrophobicContact CB-CD2 3.76Å; D106-Y110 HydrophobicContact CB-CE1 4.35Å; D106-Y110 HydrophobicContact CB-CE2 3.21Å; D106-Y110 WeakPolarHBondContact O-CD2 3.48Å; D106-Y110 PolarHBondContact O-N 3.32Å; D106-Y110 VanDerWaalsContact O-N 3.08Å; D106-Y110 PolarHBondContact OD2-OH 3.38Å; Y110-R114 HydrophobicContact CD1-CB 3.51Å; Y110-R114 HydrophobicContact CD1-CG 4.18Å; Y110-R114 HydrophobicContact CE1-CB 4.1Å; Y110-R114 HydrophobicContact CG-CB 4.08Å; Y110-L115 HydrophobicContact CD2-CD2 3.72Å; Y110-L115 HydrophobicContact CG-CD2 4.09Å; Y110-L118 HydrophobicContact CE2-CD1 3.86Å
111D47.9Very low47.9Very low89 Ų8965.9 Ų65.948%0.47634%0.341SS..  trans-78156.4154.9174.253.5000111.4S113 R114 L115D111-S113 VanDerWaalsContact C-N 3.26Å; D111-S113 PolarHBondContact O-N 2.96Å; D111-S113 VanDerWaalsContact O-N 3.17Å; D111-S113 PolarHBondContact OD2-N 2.84Å; D111-R114 WeakPolarHBondContact O-CA 3.12Å; D111-R114 WeakPolarHBondContact O-CB 3.47Å; D111-R114 PolarHBondContact O-N 2.91Å; D111-L115 PolarHBondContact O-N 3.35Å; D111-L115 VanDerWaalsContact O-N 3.13Å
112T43.5Very low48Very low37 Ų3764.7 Ų64.723%0.22733%0.333CS..Hα-helixtrans-36.2-50.6174.2-33.60000113.7L32 R114 L115 I116L32-T112 HydrophobicContact CD1-CG2 3.97Å; L32-T112 WeakPolarHBondContact CD1-OG1 3.24Å; L32-T112 WeakPolarHBondContact CD2-OG1 3.46Å; T112-R114 VanDerWaalsContact C-N 3.29Å; T112-R114 PolarHBondContact O-N 3.48Å; T112-L115 PolarHBondContact O-N 3.34Å; T112-I116 HydrophobicContact CG2-CD1 3.95Å; T112-I116 WeakPolarHBondContact O-CB 3.31Å; T112-I116 WeakPolarHBondContact O-CG1 3.29Å; T112-I116 PolarHBondContact O-N 3.2Å
113S44.7Very low47.8Very low75 Ų7562.2 Ų62.252%0.52432%0.318SS..Hα-helixtrans-61.1-37.3-178.71790000112.3D111 T117D111-S113 VanDerWaalsContact C-N 3.26Å; D111-S113 PolarHBondContact O-N 2.96Å; D111-S113 VanDerWaalsContact O-N 3.17Å; D111-S113 PolarHBondContact OD2-N 2.84Å; S113-T117 VanDerWaalsContact O-CB 3.26Å; S113-T117 WeakPolarHBondContact O-CB 3.39Å; S113-T117 PolarHBondContact O-N 3.13Å; S113-T117 PolarHBondContact O-OG1 3.22Å
114R49.2Very low48Very low155 Ų15565.1 Ų65.159%0.58533%0.333SS*.Hα-helixtrans-74.5-39.2177.4-68.3-174.9175.1-171.9-0.7112.3Y110 D111 T112 T117 L118Y110-R114 HydrophobicContact CD1-CB 3.51Å; Y110-R114 HydrophobicContact CD1-CG 4.18Å; Y110-R114 HydrophobicContact CE1-CB 4.1Å; Y110-R114 HydrophobicContact CG-CB 4.08Å; D111-R114 WeakPolarHBondContact O-CA 3.12Å; D111-R114 WeakPolarHBondContact O-CB 3.47Å; D111-R114 PolarHBondContact O-N 2.91Å; T112-R114 VanDerWaalsContact C-N 3.29Å; T112-R114 PolarHBondContact O-N 3.48Å; R114-T117 PolarHBondContact O-N 2.82Å; R114-L118 WeakPolarHBondContact O-CB 3.41Å; R114-L118 PolarHBondContact O-N 3Å
115L48.4Very low48.2Very low10 Ų1069.3 Ų69.35%0.05235%0.354CS..Hα-helixtrans-60.3-48173.3-67.1176.8000111.2L15 I107 Y110 D111 T112 L118 V119L15-L115 HydrophobicContact CD1-CB 3.9Å; L15-L115 HydrophobicContact CD2-CB 3.78Å; L15-L115 HydrophobicContact CD2-CD1 4.28Å; I107-L115 HydrophobicContact CG1-CD2 4.12Å; Y110-L115 HydrophobicContact CD2-CD2 3.72Å; Y110-L115 HydrophobicContact CG-CD2 4.09Å; D111-L115 PolarHBondContact O-N 3.35Å; D111-L115 VanDerWaalsContact O-N 3.13Å; T112-L115 PolarHBondContact O-N 3.34Å; L115-L118 PolarHBondContact O-N 3.34Å; L115-V119 PolarHBondContact O-N 3.39Å
116I45.4Very low47.7Very low40 Ų4066.6 Ų66.621%0.20533%0.334CS..Hα-helixtrans-62.5-42.4175.9-70.6174.1000110.9L15 T112 L118 V119 F120L15-I116 HydrophobicContact CD2-CG1 4.36Å; T112-I116 HydrophobicContact CG2-CD1 3.95Å; T112-I116 WeakPolarHBondContact O-CB 3.31Å; T112-I116 WeakPolarHBondContact O-CG1 3.29Å; T112-I116 PolarHBondContact O-N 3.2Å; I116-L118 VanDerWaalsContact C-N 3.35Å; I116-L118 PolarHBondContact O-N 3.25Å; I116-V119 PolarHBondContact O-N 3.49Å; I116-F120 HydrophobicContact CG2-CD2 3.53Å; I116-F120 HydrophobicContact CG2-CE2 3.47Å; I116-F120 VanDerWaalsContact CG2-CE2 3.47Å; I116-F120 WeakPolarHBondContact O-CD2 3.16Å; I116-F120 PolarHBondContact O-N 3.03Å
117T49.9Very low47.7Very low58 Ų5867.8 Ų67.836%0.35634%0.336SS..Hα-helixtrans-62.6-39.3175.4-62.40000112.3S113 R114 F120 R121S113-T117 VanDerWaalsContact O-CB 3.26Å; S113-T117 WeakPolarHBondContact O-CB 3.39Å; S113-T117 PolarHBondContact O-N 3.13Å; S113-T117 PolarHBondContact O-OG1 3.22Å; R114-T117 PolarHBondContact O-N 2.82Å; T117-F120 PolarHBondContact O-N 3.39Å; T117-R121 HydrophobicContact CG2-CG 4.41Å; T117-R121 WeakPolarHBondContact O-CB 3.46Å; T117-R121 VanDerWaalsContact O-CG 3.25Å; T117-R121 WeakPolarHBondContact O-CG 3.37Å; T117-R121 PolarHBondContact O-N 3.19Å
118L50.4Low47.9Very low45 Ų4571.9 Ų71.924%0.23635%0.353CS..Hα-helixtrans-66.8-40.6177.3-165.5155000110.7V103 Y110 R114 L115 I116 R121 K122V103-L118 HydrophobicContact CG2-CD1 4.41Å; V103-L118 HydrophobicContact CG2-CD2 4.14Å; Y110-L118 HydrophobicContact CE2-CD1 3.86Å; R114-L118 WeakPolarHBondContact O-CB 3.41Å; R114-L118 PolarHBondContact O-N 3Å; L115-L118 PolarHBondContact O-N 3.34Å; I116-L118 VanDerWaalsContact C-N 3.35Å; I116-L118 PolarHBondContact O-N 3.25Å; L118-R121 PolarHBondContact O-N 3.43Å; L118-K122 HydrophobicContact CD2-CD 4.36Å; L118-K122 HydrophobicContact CD2-CG 4.37Å; L118-K122 PolarHBondContact O-N 2.87Å
119V51Low47.2Very low11 Ų1171.7 Ų71.77%0.06734%0.343CS..Hα-helixtrans-63.4-48.3172.2167.70000112.2L12 L15 Y80 L115 I116 R121 K122 Y123L12-V119 HydrophobicContact CD2-CB 4.32Å; L12-V119 HydrophobicContact CD2-CG1 3.83Å; L12-V119 HydrophobicContact CD2-CG2 3.86Å; L15-V119 HydrophobicContact CB-CG2 4.08Å; L15-V119 HydrophobicContact CD1-CG2 3.41Å; L15-V119 VanDerWaalsContact CD1-CG2 3.41Å; L15-V119 HydrophobicContact CG-CG2 4.38Å; Y80-V119 HydrophobicContact CE2-CG1 4.2Å; Y80-V119 VanDerWaalsContact OH-CG1 3.31Å; Y80-V119 WeakPolarHBondContact OH-CG1 3.26Å; L115-V119 PolarHBondContact O-N 3.39Å; I116-V119 PolarHBondContact O-N 3.49Å; V119-R121 VanDerWaalsContact C-N 3.33Å; V119-R121 PolarHBondContact O-N 3.05Å; V119-K122 CarbonylContact O-C 3.57Å; V119-K122 PolarHBondContact O-N 2.83Å; V119-K122 VanDerWaalsContact O-N 3.13Å; V119-Y123 PolarHBondContact O-N 3.32Å
120F46.2Very low46.5Very low102 Ų10270.3 Ų70.345%0.44733%0.331SS..Hα-helixtrans-64.3-37.3177.2-81.1-58.5000112.3I116 T117 Y123 D124I116-F120 HydrophobicContact CG2-CD2 3.53Å; I116-F120 HydrophobicContact CG2-CE2 3.47Å; I116-F120 VanDerWaalsContact CG2-CE2 3.47Å; I116-F120 WeakPolarHBondContact O-CD2 3.16Å; I116-F120 PolarHBondContact O-N 3.03Å; T117-F120 PolarHBondContact O-N 3.39Å; F120-Y123 HydrophobicContact CD1-CD1 4.42Å; F120-Y123 PolarHBondContact O-N 3.45Å; F120-D124 WeakPolarHBondContact O-CB 3.29Å; F120-D124 PolarHBondContact O-N 3.44Å
121R50.6Low46.9Very low174 Ų17475.7 Ų75.766%0.65736%0.355SS*.Hα-helixtrans-61.4-41.9171-76.7175.3177.6-168.5-0.9111.9T117 L118 V119 D124 I125T117-R121 HydrophobicContact CG2-CG 4.41Å; T117-R121 WeakPolarHBondContact O-CB 3.46Å; T117-R121 VanDerWaalsContact O-CG 3.25Å; T117-R121 WeakPolarHBondContact O-CG 3.37Å; T117-R121 PolarHBondContact O-N 3.19Å; L118-R121 PolarHBondContact O-N 3.43Å; V119-R121 VanDerWaalsContact C-N 3.33Å; V119-R121 PolarHBondContact O-N 3.05Å; R121-D124 PolarHBondContact O-N 2.94Å; R121-I125 WeakPolarHBondContact O-CB 3.45Å; R121-I125 WeakPolarHBondContact O-CD1 3.36Å; R121-I125 VanDerWaalsContact O-CG1 3.24Å; R121-I125 WeakPolarHBondContact O-CG1 3.49Å; R121-I125 PolarHBondContact O-N 2.85Å
122K51.1Low46.5Very low44 Ų4478.8 Ų78.819%0.19137%0.366CS..Hα-helixtrans-66.6-40.6173.5-72.8-156.6-177.1-162.40112H8 E99 L118 V119 D124 I125 V126H8-K122 PolarHBondContact NE2-NZ 3.45Å; E99-K122 IonicContact OE2-NZ 3.57Å; E99-K122 PolarHBondContact OE2-NZ 3.24Å; L118-K122 HydrophobicContact CD2-CD 4.36Å; L118-K122 HydrophobicContact CD2-CG 4.37Å; L118-K122 PolarHBondContact O-N 2.87Å; V119-K122 CarbonylContact O-C 3.57Å; V119-K122 PolarHBondContact O-N 2.83Å; V119-K122 VanDerWaalsContact O-N 3.13Å; K122-D124 VanDerWaalsContact C-N 3.33Å; K122-D124 PolarHBondContact O-N 3.49Å; K122-I125 PolarHBondContact O-N 2.94Å; K122-V126 VanDerWaalsContact O-CG2 3.27Å; K122-V126 WeakPolarHBondContact O-CG2 3.46Å; K122-V126 PolarHBondContact O-N 3.22Å
123Y48.5Very low46.1Very low27 Ų2781.6 Ų81.611%0.10638%0.379CS..Hα-helixtrans-59.2-43.2172.1172.6-118.7000111.6Y80 V119 F120 V126 K127Y80-Y123 AromaticContact CD2-CD2 3.7Å; Y80-Y123 HydrophobicContact CD2-CD2 3.7Å; Y80-Y123 HydrophobicContact CD2-CE2 4.27Å; Y80-Y123 HydrophobicContact CD2-CG 4.09Å; Y80-Y123 HydrophobicContact CE2-CD2 4.42Å; Y80-Y123 HydrophobicContact CE2-CG 4.5Å; V119-Y123 PolarHBondContact O-N 3.32Å; F120-Y123 HydrophobicContact CD1-CD1 4.42Å; F120-Y123 PolarHBondContact O-N 3.45Å; Y123-V126 PolarHBondContact O-N 3.49Å; Y123-K127 HydrophobicContact CE1-CD 4.11Å; Y123-K127 HydrophobicContact CE2-CD 4.45Å; Y123-K127 WeakPolarHBondContact O-CB 3.35Å; Y123-K127 PolarHBondContact O-N 3.15Å; Y123-K127 PolarHBondContact OH-NZ 3.06Å
124D50.7Low45.8Very low75 Ų7584 Ų8440%0.40142%0.416SS..Hα-helixtrans-64-40.6176.4-126.436.4000112.3F120 R121 K122 K128F120-D124 WeakPolarHBondContact O-CB 3.29Å; F120-D124 PolarHBondContact O-N 3.44Å; R121-D124 PolarHBondContact O-N 2.94Å; K122-D124 VanDerWaalsContact C-N 3.33Å; K122-D124 PolarHBondContact O-N 3.49Å; D124-K128 WeakPolarHBondContact O-CB 3.37Å; D124-K128 VanDerWaalsContact O-CD 3.29Å; D124-K128 WeakPolarHBondContact O-CD 3.45Å; D124-K128 WeakPolarHBondContact O-CG 3.43Å; D124-K128 PolarHBondContact O-N 2.97Å; D124-K128 IonicContact OD2-NZ 2.76Å; D124-K128 PolarHBondContact OD2-NZ 3.38Å
125I47Very low45.6Very low107 Ų10780.5 Ų80.555%0.54941%0.408SS..Hα-helixtrans-61.3-47.8174.2-73.6162.5000110.3R121 K122 K128 Y129R121-I125 WeakPolarHBondContact O-CB 3.45Å; R121-I125 WeakPolarHBondContact O-CD1 3.36Å; R121-I125 VanDerWaalsContact O-CG1 3.24Å; R121-I125 WeakPolarHBondContact O-CG1 3.49Å; R121-I125 PolarHBondContact O-N 2.85Å; K122-I125 PolarHBondContact O-N 2.94Å; I125-K128 PolarHBondContact O-N 3.39Å; I125-Y129 WeakPolarHBondContact O-CB 3.26Å; I125-Y129 PolarHBondContact O-N 2.88Å
126V42.6Very low45.5Very low20 Ų2084.2 Ų84.212%0.12143%0.426CS..Hα-helixtrans-75.1-33.4-177.3-175.10000111.6C83 L87 K122 Y123 K128 Y129 N130C83-V126 WeakPolarHBondContact SG-CG1 3.32Å; L87-V126 HydrophobicContact CD1-CG1 3.91Å; L87-V126 HydrophobicContact CD1-CG2 3.97Å; L87-V126 HydrophobicContact CD2-CB 4.45Å; L87-V126 HydrophobicContact CD2-CG1 3.5Å; L87-V126 HydrophobicContact CD2-CG2 4Å; L87-V126 HydrophobicContact CG-CG1 3.67Å; L87-V126 HydrophobicContact CG-CG2 4.42Å; K122-V126 VanDerWaalsContact O-CG2 3.27Å; K122-V126 WeakPolarHBondContact O-CG2 3.46Å; K122-V126 PolarHBondContact O-N 3.22Å; Y123-V126 PolarHBondContact O-N 3.49Å; V126-K128 VanDerWaalsContact C-N 3.32Å; V126-K128 PolarHBondContact O-N 2.95Å; V126-Y129 WeakPolarHBondContact O-CB 3.4Å; V126-Y129 PolarHBondContact O-N 3.32Å; V126-N130 WeakPolarHBondContact O-CB 3.48Å; V126-N130 PolarHBondContact O-N 3.2Å
127K45.6Very low45.5Very low89 Ų8986.6 Ų86.639%0.38744%0.439SS..Hα-helixtrans-64.1-36.5171.2-174.6171.4-172.7163.60111.8Y123 K131Y123-K127 HydrophobicContact CE1-CD 4.11Å; Y123-K127 HydrophobicContact CE2-CD 4.45Å; Y123-K127 WeakPolarHBondContact O-CB 3.35Å; Y123-K127 PolarHBondContact O-N 3.15Å; Y123-K127 PolarHBondContact OH-NZ 3.06Å; K127-K131 WeakPolarHBondContact O-CB 3.42Å; K127-K131 WeakPolarHBondContact O-CG 3.49Å; K127-K131 PolarHBondContact O-N 2.76Å
128K49.4Very low45.2Very low110 Ų11088.3 Ų88.348%0.47844%0.444SS..Hα-helixtrans-68.6-43169.6-72161.4-167.81600111.1D124 I125 V126 K131 H132D124-K128 WeakPolarHBondContact O-CB 3.37Å; D124-K128 VanDerWaalsContact O-CD 3.29Å; D124-K128 WeakPolarHBondContact O-CD 3.45Å; D124-K128 WeakPolarHBondContact O-CG 3.43Å; D124-K128 PolarHBondContact O-N 2.97Å; D124-K128 IonicContact OD2-NZ 2.76Å; D124-K128 PolarHBondContact OD2-NZ 3.38Å; I125-K128 PolarHBondContact O-N 3.39Å; V126-K128 VanDerWaalsContact C-N 3.32Å; V126-K128 PolarHBondContact O-N 2.95Å; K128-K131 WeakPolarHBondContact O-CB 3.45Å; K128-K131 PolarHBondContact O-N 2.93Å; K128-H132 PolarHBondContact O-CD2 3.36Å; K128-H132 PolarHBondContact O-N 3.06Å
129Y34.7Very low44.9Very low122 Ų12291 Ų9148%0.47846%0.457SS..Hα-helixtrans-61-48177.9-170.7-109000112.6I125 V126 K131 H132 L133I125-Y129 WeakPolarHBondContact O-CB 3.26Å; I125-Y129 PolarHBondContact O-N 2.88Å; V126-Y129 WeakPolarHBondContact O-CB 3.4Å; V126-Y129 PolarHBondContact O-N 3.32Å; Y129-K131 VanDerWaalsContact C-N 3.27Å; Y129-K131 PolarHBondContact O-N 3.33Å; Y129-H132 WeakPolarHBondContact O-CA 3.46Å; Y129-H132 WeakPolarHBondContact O-CB 3.22Å; Y129-H132 PolarHBondContact O-N 3.21Å; Y129-L133 HydrophobicContact CD1-CD1 3.95Å; Y129-L133 HydrophobicContact CE1-CD1 3.66Å
130N37.3Very low44.5Very low43 Ų4396.3 Ų96.323%0.2348%0.483CS..Hα-helixtrans-62.3-33.3175.2-71-19000112.2C83 V126 H132 L133C83-N130 PolarHBondContact SG-ND2 3.05Å; V126-N130 WeakPolarHBondContact O-CB 3.48Å; V126-N130 PolarHBondContact O-N 3.2Å; N130-H132 PolarHBondContact O-N 3.22Å; N130-L133 PolarHBondContact O-N 2.9Å; N130-L133 VanDerWaalsContact O-N 3.13Å
131K50.3Low44.4Very low157 Ų15795.9 Ų95.968%0.68349%0.485SS*.THydrogen-bonded Turntrans-67.8-5.4170.4-84.2-171.5172-162.10114.8K127 K128 Y129K127-K131 WeakPolarHBondContact O-CB 3.42Å; K127-K131 WeakPolarHBondContact O-CG 3.49Å; K127-K131 PolarHBondContact O-N 2.76Å; K128-K131 WeakPolarHBondContact O-CB 3.45Å; K128-K131 PolarHBondContact O-N 2.93Å; Y129-K131 VanDerWaalsContact C-N 3.27Å; Y129-K131 PolarHBondContact O-N 3.33Å
132H40.4Very low43.9Very low153 Ų15389.9 Ų89.971%0.70847%0.472SS*.THydrogen-bonded Turntrans-109.77172.5-63.6-56000112.7K128 Y129 N130K128-H132 PolarHBondContact O-CD2 3.36Å; K128-H132 PolarHBondContact O-N 3.06Å; Y129-H132 WeakPolarHBondContact O-CA 3.46Å; Y129-H132 WeakPolarHBondContact O-CB 3.22Å; Y129-H132 PolarHBondContact O-N 3.21Å; N130-H132 PolarHBondContact O-N 3.22Å
133L34.9Very low43.3Very low96 Ų9693.8 Ų93.850%0.50350%0.495SS..  trans-116.31.6179.3-66.6177.8000113.8Y129 N130Y129-L133 HydrophobicContact CD1-CD1 3.95Å; Y129-L133 HydrophobicContact CE1-CD1 3.66Å; N130-L133 PolarHBondContact O-N 2.9Å; N130-L133 VanDerWaalsContact O-N 3.13Å
134G38.3Very low42.8Very low126 Ų12699.8 Ų99.8100%1.29953%0.531SS*.  trans-130.10170.900000110.5

Retrieved 134 of 134 residues in 548.9 ms (Link to these results)

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