A0A087X2J2_HUMAN Loading...

ADP ribosylation factor like GTPase 8A

AlphaFold DB , UniProt , Accession A0A087X2J2, Species HUMAN (Homo sapiens, Human), Gene ARL8A, Length 147 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
1M51.8Low66.9Low117 Ų11774.7 Ų74.758%0.57638%0.381SS*.  0-53.40-77.9-154.7-70.500113.3A3 L4 F5 V39 F45M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 3.3Å; M1-L4 PolarHBondContact O-N 2.93Å; M1-F5 PolarHBondContact O-N 3.09Å; M1-V39 HydrophobicContact CB-CG1 4.38Å; M1-V39 HydrophobicContact CE-CG2 4.36Å; M1-V39 HydrophobicContact CG-CG1 4.23Å; M1-V39 HydrophobicContact SD-CB 4.09Å; M1-V39 HydrophobicContact SD-CG1 3.31Å; M1-V39 WeakPolarHBondContact SD-CG1 3.46Å; M1-V39 HydrophobicContact SD-CG2 3.6Å; M1-F45 HydrophobicContact CE-CB 4.24Å
2I58.6Low66.9Low124 Ų12469.1 Ų69.164%0.63635%0.351SS*.Hα-helixtrans-56.6-41.4-176.8-62.6170000113.5L4 F5 N6I2-L4 VanDerWaalsContact C-N 3.33Å; I2-L4 PolarHBondContact O-N 3.15Å; I2-F5 PolarHBondContact O-N 2.99Å; I2-N6 PolarHBondContact O-N 3.2Å; I2-N6 PolarHBondContact O-OD1 3.36Å
3A65.3Low66.8Low66 Ų6668.4 Ų68.455%0.54534%0.344SS..Hα-helixtrans-63.5-35.7-179.200000113.8M1 K7M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 3.3Å; A3-K7 WeakPolarHBondContact O-CG 3.49Å; A3-K7 PolarHBondContact O-N 3.44Å
4L64.3Low67Low81 Ų8167.7 Ų67.742%0.42436%0.355SS..Hα-helixtrans-73-40.5179.1173.864.5000111.5M1 I2 N6 K7 L8 L140M1-L4 PolarHBondContact O-N 2.93Å; I2-L4 VanDerWaalsContact C-N 3.33Å; I2-L4 PolarHBondContact O-N 3.15Å; L4-N6 VanDerWaalsContact C-N 3.34Å; L4-K7 PolarHBondContact O-N 3.19Å; L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 PolarHBondContact O-N 3.14Å; L4-L140 HydrophobicContact CD1-CD1 4.49Å; L4-L140 HydrophobicContact CD1-CD2 4.09Å; L4-L140 HydrophobicContact CD2-CD1 3.6Å; L4-L140 HydrophobicContact CD2-CD2 3.41Å; L4-L140 VanDerWaalsContact CD2-CD2 3.41Å; L4-L140 HydrophobicContact CD2-CG 4.08Å; L4-L140 HydrophobicContact CG-CD1 4.04Å; L4-L140 HydrophobicContact CG-CD2 4.21Å
5F66.5Low66.7Low27 Ų2767.9 Ų67.912%0.11836%0.356CS..Hα-helixtrans-62.4-42.2173.4175.7-119.1000111.7M1 I2 L8 L9 I40 I60 K62M1-F5 PolarHBondContact O-N 3.09Å; I2-F5 PolarHBondContact O-N 2.99Å; F5-L8 PolarHBondContact O-N 3.1Å; F5-L9 HydrophobicContact CD1-CD1 4.05Å; F5-L9 HydrophobicContact CD2-CD1 4.45Å; F5-L9 HydrophobicContact CD2-CG 4.19Å; F5-L9 HydrophobicContact CE1-CD1 3.43Å; F5-L9 VanDerWaalsContact CE1-CD1 3.43Å; F5-L9 HydrophobicContact CE1-CG 4.18Å; F5-L9 HydrophobicContact CE2-CD1 3.86Å; F5-L9 HydrophobicContact CE2-CD2 3.88Å; F5-L9 HydrophobicContact CE2-CG 3.69Å; F5-L9 HydrophobicContact CZ-CD1 3.33Å; F5-L9 HydrophobicContact CZ-CD2 3.94Å; F5-L9 HydrophobicContact CZ-CG 3.71Å; F5-L9 WeakPolarHBondContact O-CG 3.36Å; F5-L9 PolarHBondContact O-N 2.94Å; F5-I40 HydrophobicContact CD2-CB 3.49Å; F5-I40 VanDerWaalsContact CD2-CB 3.49Å; F5-I40 HydrophobicContact CD2-CG2 3.48Å; F5-I40 VanDerWaalsContact CD2-CG2 3.48Å; F5-I40 WeakPolarHBondContact CE1-O 3.4Å; F5-I40 HydrophobicContact CE2-CB 3.44Å; F5-I40 VanDerWaalsContact CE2-CB 3.44Å; F5-I40 HydrophobicContact CE2-CG1 4.5Å; F5-I40 HydrophobicContact CE2-CG2 3.89Å; F5-I40 HydrophobicContact CG-CB 4.37Å; F5-I40 HydrophobicContact CG-CG2 4.39Å; F5-I40 HydrophobicContact CZ-CB 4.25Å; F5-I40 VanDerWaalsContact CZ-O 3.29Å; F5-I40 WeakPolarHBondContact CZ-O 3.28Å; F5-I60 HydrophobicContact CE1-CG2 4.5Å; F5-I60 HydrophobicContact CZ-CG2 3.72Å; F5-K62 HydrophobicContact CE1-CD 4.46Å
6N71.6Confident66.6Low45 Ų4565.9 Ų65.924%0.24134%0.343CS..Hα-helixtrans-61.8-47.6175.5-64-9000111.3I2 L4 L8 L9 D10 K62I2-N6 PolarHBondContact O-N 3.2Å; I2-N6 PolarHBondContact O-OD1 3.36Å; L4-N6 VanDerWaalsContact C-N 3.34Å; N6-L8 VanDerWaalsContact C-N 3.28Å; N6-L8 PolarHBondContact O-N 2.9Å; N6-L9 PolarHBondContact O-N 3.09Å; N6-D10 WeakPolarHBondContact O-CB 3.34Å; N6-D10 PolarHBondContact O-N 3.27Å; N6-K62 WeakPolarHBondContact OD1-CE 3.22Å; N6-K62 PolarHBondContact OD1-NZ 2.67Å
7K73Confident66.6Low151 Ų15175.4 Ų75.466%0.65737%0.374SS*.Hα-helixtrans-57.4-41.6175.6-76.3-179.1178.1-170.70112.4A3 L4 W11A3-K7 WeakPolarHBondContact O-CG 3.49Å; A3-K7 PolarHBondContact O-N 3.44Å; L4-K7 PolarHBondContact O-N 3.19Å; K7-W11 VanDerWaalsContact O-CB 3.29Å; K7-W11 WeakPolarHBondContact O-CB 3.37Å; K7-W11 PolarHBondContact O-N 3.49Å
8L71Confident66.6Low21 Ų2177.2 Ų77.211%0.1138%0.379CS..Hα-helixtrans-64.8-45177.4-176.270.6000111.3L4 F5 N6 W11 F12 F36 L136 L138L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 PolarHBondContact O-N 3.14Å; F5-L8 PolarHBondContact O-N 3.1Å; N6-L8 VanDerWaalsContact C-N 3.28Å; N6-L8 PolarHBondContact O-N 2.9Å; L8-W11 PolarHBondContact O-N 3.46Å; L8-F12 HydrophobicContact CD1-CD2 4.13Å; L8-F12 HydrophobicContact CD1-CE2 3.67Å; L8-F12 HydrophobicContact CD2-CE2 4.04Å; L8-F12 HydrophobicContact CG-CD2 3.82Å; L8-F12 HydrophobicContact CG-CE2 3.62Å; L8-F12 WeakPolarHBondContact O-CD2 3.38Å; L8-F12 PolarHBondContact O-N 3.46Å; L8-F36 HydrophobicContact CD2-CE2 3.92Å; L8-F36 HydrophobicContact CD2-CZ 3.65Å; L8-L136 HydrophobicContact CD1-CD1 4.03Å; L8-L138 HydrophobicContact CD2-CD2 4.5Å
9L68.1Low67.2Low5 Ų579.5 Ų79.53%0.02639%0.389CS..Hα-helixtrans-62.4-46.3176-74.2179.7000112F5 N6 W11 F12 K13 K62 I67F5-L9 HydrophobicContact CD1-CD1 4.05Å; F5-L9 HydrophobicContact CD2-CD1 4.45Å; F5-L9 HydrophobicContact CD2-CG 4.19Å; F5-L9 HydrophobicContact CE1-CD1 3.43Å; F5-L9 VanDerWaalsContact CE1-CD1 3.43Å; F5-L9 HydrophobicContact CE1-CG 4.18Å; F5-L9 HydrophobicContact CE2-CD1 3.86Å; F5-L9 HydrophobicContact CE2-CD2 3.88Å; F5-L9 HydrophobicContact CE2-CG 3.69Å; F5-L9 HydrophobicContact CZ-CD1 3.33Å; F5-L9 HydrophobicContact CZ-CD2 3.94Å; F5-L9 HydrophobicContact CZ-CG 3.71Å; F5-L9 WeakPolarHBondContact O-CG 3.36Å; F5-L9 PolarHBondContact O-N 2.94Å; N6-L9 PolarHBondContact O-N 3.09Å; L9-W11 VanDerWaalsContact C-N 3.26Å; L9-W11 PolarHBondContact O-N 3.47Å; L9-F12 PolarHBondContact O-N 3.02Å; L9-K13 VanDerWaalsContact O-CG 3.31Å; L9-K13 WeakPolarHBondContact O-CG 3.48Å; L9-K13 PolarHBondContact O-N 3.17Å; L9-K62 HydrophobicContact CD1-CB 3.93Å; L9-K62 HydrophobicContact CD1-CD 3.34Å; L9-K62 HydrophobicContact CD1-CG 4.24Å; L9-I67 HydrophobicContact CD2-CD1 3.22Å; L9-I67 HydrophobicContact CD2-CG1 4.26Å
10D73.1Confident68Low97 Ų9782 Ų8252%0.51940%0.399SS..Hα-helixtrans-63-38179.6-65.1-26000110.8N6 K13 A14N6-D10 WeakPolarHBondContact O-CB 3.34Å; N6-D10 PolarHBondContact O-N 3.27Å; D10-K13 PolarHBondContact O-N 3.4Å; D10-A14 WeakPolarHBondContact O-CB 3.45Å; D10-A14 PolarHBondContact O-N 3.29Å
11W73.1Confident68.7Low88 Ų8878.3 Ų78.333%0.33338%0.382SS..Hα-helixtrans-62.5-47.9171.2178.384.5000112.3K7 L8 L9 K13 A14 L15 L136K7-W11 VanDerWaalsContact O-CB 3.29Å; K7-W11 WeakPolarHBondContact O-CB 3.37Å; K7-W11 PolarHBondContact O-N 3.49Å; L8-W11 PolarHBondContact O-N 3.46Å; L9-W11 VanDerWaalsContact C-N 3.26Å; L9-W11 PolarHBondContact O-N 3.47Å; W11-K13 VanDerWaalsContact C-N 3.31Å; W11-K13 PolarHBondContact O-N 2.69Å; W11-A14 PolarHBondContact O-N 3.03Å; W11-A14 VanDerWaalsContact O-N 3.16Å; W11-L15 HydrophobicContact CH2-CD1 4.22Å; W11-L15 HydrophobicContact CH2-CD2 3.93Å; W11-L15 HydrophobicContact CZ2-CD1 3.63Å; W11-L15 HydrophobicContact CZ2-CD2 4.16Å; W11-L15 HydrophobicContact CZ2-CG 4.42Å; W11-L15 PolarHBondContact O-N 3.18Å; W11-L136 HydrophobicContact CD2-CD1 4.03Å; W11-L136 HydrophobicContact CE3-CD1 3.67Å; W11-L136 HydrophobicContact CH2-CB 4.12Å; W11-L136 HydrophobicContact CH2-CD1 3.56Å; W11-L136 HydrophobicContact CH2-CD2 3.6Å; W11-L136 HydrophobicContact CH2-CG 3.92Å; W11-L136 HydrophobicContact CZ2-CB 4.36Å; W11-L136 HydrophobicContact CZ2-CD1 3.87Å; W11-L136 HydrophobicContact CZ2-CG 4.46Å; W11-L136 HydrophobicContact CZ3-CD1 3.43Å; W11-L136 VanDerWaalsContact CZ3-CD1 3.43Å; W11-L136 HydrophobicContact CZ3-CD2 3.57Å; W11-L136 HydrophobicContact CZ3-CG 4.04Å
12F66.4Low70.3Confident7 Ų775.8 Ų75.83%0.03137%0.369CS..Hα-helixtrans-59.8-40.6175.4-85.4-66.6000112.1L8 L9 A14 L15 F16 M21 L23 V93 L136L8-F12 HydrophobicContact CD1-CD2 4.13Å; L8-F12 HydrophobicContact CD1-CE2 3.67Å; L8-F12 HydrophobicContact CD2-CE2 4.04Å; L8-F12 HydrophobicContact CG-CD2 3.82Å; L8-F12 HydrophobicContact CG-CE2 3.62Å; L8-F12 WeakPolarHBondContact O-CD2 3.38Å; L8-F12 PolarHBondContact O-N 3.46Å; L9-F12 PolarHBondContact O-N 3.02Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 2.92Å; F12-L15 PolarHBondContact O-N 3.23Å; F12-F16 AromaticContact CD1-CD2 3.93Å; F12-F16 HydrophobicContact CD1-CD2 3.93Å; F12-F16 AromaticContact CD1-CE2 3.66Å; F12-F16 HydrophobicContact CD1-CE2 3.66Å; F12-F16 HydrophobicContact CE1-CE2 4.09Å; F12-F16 WeakPolarHBondContact O-CD2 3.49Å; F12-F16 PolarHBondContact O-N 3.4Å; F12-M21 HydrophobicContact CB-CE 3.89Å; F12-M21 HydrophobicContact CB-SD 4.21Å; F12-L23 HydrophobicContact CD1-CD1 4.41Å; F12-L23 HydrophobicContact CE1-CD1 3.97Å; F12-L23 HydrophobicContact CE1-CD2 4.11Å; F12-L23 HydrophobicContact CE2-CD1 4.2Å; F12-L23 HydrophobicContact CZ-CD1 3.88Å; F12-V93 HydrophobicContact CZ-CG2 4.27Å; F12-L136 HydrophobicContact CZ-CD2 4.24Å
13K65.9Low71.6Confident60 Ų6070.2 Ų70.226%0.26134%0.34SS..Hα-helixtrans-60.6-44.6174.6-71.4-175.4-162.5-154.90111.7L9 D10 W11 L15 W17 V65L9-K13 VanDerWaalsContact O-CG 3.31Å; L9-K13 WeakPolarHBondContact O-CG 3.48Å; L9-K13 PolarHBondContact O-N 3.17Å; D10-K13 PolarHBondContact O-N 3.4Å; W11-K13 VanDerWaalsContact C-N 3.31Å; W11-K13 PolarHBondContact O-N 2.69Å; K13-L15 VanDerWaalsContact C-N 3.31Å; K13-L15 PolarHBondContact O-N 2.98Å; K13-W17 WeakPolarHBondContact O-CA 3.16Å; K13-W17 PolarHBondContact O-N 3.18Å; K13-V65 HydrophobicContact CD-CG2 3.69Å; K13-V65 HydrophobicContact CG-CG1 4.43Å; K13-V65 HydrophobicContact CG-CG2 3.86Å
14A69.3Low72.8Confident59 Ų5967 Ų6749%0.48831%0.314SS..Hα-helixtrans-65.7-34.6178.400000112.3D10 W11 F12D10-A14 WeakPolarHBondContact O-CB 3.45Å; D10-A14 PolarHBondContact O-N 3.29Å; W11-A14 PolarHBondContact O-N 3.03Å; W11-A14 VanDerWaalsContact O-N 3.16Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 2.92Å
15L63.2Low74Confident71 Ų7163.2 Ų63.237%0.37229%0.294SS..Hα-helixtrans-76.8-37.3-177.6-146.595.1000113W11 F12 K13W11-L15 HydrophobicContact CH2-CD1 4.22Å; W11-L15 HydrophobicContact CH2-CD2 3.93Å; W11-L15 HydrophobicContact CZ2-CD1 3.63Å; W11-L15 HydrophobicContact CZ2-CD2 4.16Å; W11-L15 HydrophobicContact CZ2-CG 4.42Å; W11-L15 PolarHBondContact O-N 3.18Å; F12-L15 PolarHBondContact O-N 3.23Å; K13-L15 VanDerWaalsContact C-N 3.31Å; K13-L15 PolarHBondContact O-N 2.98Å
16F64.2Low75.2Confident35 Ų3561.9 Ų61.915%0.15429%0.288CS..Hα-helixtrans-112-13.1-169-65.6-71.8000114.6F12 K18 M21 S90 A91F12-F16 AromaticContact CD1-CD2 3.93Å; F12-F16 HydrophobicContact CD1-CD2 3.93Å; F12-F16 AromaticContact CD1-CE2 3.66Å; F12-F16 HydrophobicContact CD1-CE2 3.66Å; F12-F16 HydrophobicContact CE1-CE2 4.09Å; F12-F16 WeakPolarHBondContact O-CD2 3.49Å; F12-F16 PolarHBondContact O-N 3.4Å; F16-K18 HydrophobicContact CB-CB 4.44Å; F16-K18 WeakPolarHBondContact O-CG 3.46Å; F16-K18 PolarHBondContact O-N 3.41Å; F16-M21 HydrophobicContact CB-SD 3.79Å; F16-M21 HydrophobicContact CD2-SD 3.85Å; F16-M21 HydrophobicContact CG-SD 4.11Å; F16-S90 VanDerWaalsContact CE1-O 3.26Å; F16-S90 WeakPolarHBondContact CE1-O 3.38Å; F16-A91 HydrophobicContact CE1-CB 4.45Å; F16-A91 HydrophobicContact CE2-CB 4.09Å; F16-A91 HydrophobicContact CZ-CB 3.62Å
17W66.3Low76.1Confident227 Ų22759.8 Ų59.886%0.8628%0.277SS*.  trans45.728.4-174.9-68-82.8000114.4K13K13-W17 WeakPolarHBondContact O-CA 3.16Å; K13-W17 PolarHBondContact O-N 3.18Å
18K66.4Low77Confident108 Ų10853.1 Ų53.147%0.4725%0.248SC..  trans-111.2134.2-176.1-80.3176.8-175.1-175.20111.1F16 E20 M21F16-K18 HydrophobicContact CB-CB 4.44Å; F16-K18 WeakPolarHBondContact O-CG 3.46Å; F16-K18 PolarHBondContact O-N 3.41Å; K18-E20 VanDerWaalsContact C-N 3.35Å; K18-E20 WeakPolarHBondContact CB-O 3.44Å; K18-M21 HydrophobicContact CB-CG 3.87Å
19E78.4Confident78.1Confident121 Ų12154.3 Ų54.357%0.56525%0.253SS*.SBendtrans-74.3-29170.9-63.4-164.7145.300111.7N64 V65 T66E19-N64 PolarHBondContact OE1-ND2 3.33Å; E19-V65 CarbonylContact O-C 3.59Å; E19-V65 VanDerWaalsContact O-CA 3.26Å; E19-V65 WeakPolarHBondContact O-CA 3.41Å; E19-T66 PolarHBondContact O-N 2.87Å
20E83.2Confident78.9Confident129 Ų12961.1 Ų61.160%0.60328%0.279SS*.EExtended strand (participates in β ladder)trans-120.1125.8173.4-60.9-159.1152.500111.4K18 T66K18-E20 VanDerWaalsContact C-N 3.35Å; K18-E20 WeakPolarHBondContact CB-O 3.44Å; E20-T66 WeakPolarHBondContact CA-O 3.32Å
21M82.8Confident79.6Confident6 Ų657 Ų573%0.0326%0.259CS..EExtended strand (participates in β ladder)trans-128.6141.8178.8-65.9-179.9-72.800110.4F12 F16 K18 V65 T66 I67 K68F12-M21 HydrophobicContact CB-CE 3.89Å; F12-M21 HydrophobicContact CB-SD 4.21Å; F16-M21 HydrophobicContact CB-SD 3.79Å; F16-M21 HydrophobicContact CD2-SD 3.85Å; F16-M21 HydrophobicContact CG-SD 4.11Å; K18-M21 HydrophobicContact CB-CG 3.87Å; M21-V65 HydrophobicContact CE-CG1 3.79Å; M21-T66 PolarHBondContact N-O 2.83Å; M21-I67 HydrophobicContact CE-CD1 4Å; M21-I67 HydrophobicContact CE-CG1 4.01Å; M21-I67 CarbonylContact O-C 3.59Å; M21-I67 WeakPolarHBondContact O-CA 3.39Å; M21-K68 PolarHBondContact O-N 2.71Å
22E86.1Confident80.2Confident64 Ų6454.2 Ų54.230%0.29926%0.257SS..EExtended strand (participates in β ladder)trans-114.7125.5171-168156.8165.100108.1K68 W70 V89 S90E22-K68 CarbonylContact C-O 3.55Å; E22-K68 WeakPolarHBondContact CA-O 3.36Å; E22-K68 HydrophobicContact CG-CB 4.11Å; E22-W70 PolarHBondContact OE1-NE1 3.19Å; E22-V89 HydrophobicContact CG-CG1 4.31Å; E22-V89 WeakPolarHBondContact O-CB 3.33Å; E22-S90 PolarHBondContact N-OG 3.16Å; E22-S90 WeakPolarHBondContact O-CB 3.42Å; E22-S90 PolarHBondContact O-N 2.95Å
23L86.4Confident81.2Confident6 Ų654.4 Ų54.43%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-125.4144.3-176.1-59-177.8000108.7F12 I67 K68 L69 W70 A91F12-L23 HydrophobicContact CD1-CD1 4.41Å; F12-L23 HydrophobicContact CE1-CD1 3.97Å; F12-L23 HydrophobicContact CE1-CD2 4.11Å; F12-L23 HydrophobicContact CE2-CD1 4.2Å; F12-L23 HydrophobicContact CZ-CD1 3.88Å; L23-I67 HydrophobicContact CB-CG2 4.47Å; L23-I67 HydrophobicContact CD1-CD1 4.39Å; L23-I67 HydrophobicContact CD1-CG2 3.67Å; L23-I67 HydrophobicContact CG-CG2 3.98Å; L23-K68 PolarHBondContact N-O 3.5Å; L23-L69 HydrophobicContact CB-CD1 3.55Å; L23-L69 HydrophobicContact CD1-CD1 4.48Å; L23-L69 WeakPolarHBondContact O-CA 3.28Å; L23-W70 PolarHBondContact O-N 3.44Å; L23-A91 WeakPolarHBondContact CA-O 3.36Å; L23-A91 HydrophobicContact CD2-CB 3.65Å
24T88.8Confident82.1Confident0 Ų053 Ų530%025%0.254CS..EExtended strand (participates in β ladder)trans-119.4127.8173.5-72.50000110.3V26 W70 I72 Y85 C86 V89 A91 V93T24-V26 HydrophobicContact CG2-CG1 3.81Å; T24-W70 HydrophobicContact CG2-CB 4.36Å; T24-I72 HydrophobicContact CG2-CG1 4.14Å; T24-Y85 PolarHBondContact OG1-O 3.05Å; T24-C86 VanDerWaalsContact CG2-SG 3.58Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.33Å; T24-A91 PolarHBondContact N-O 3.41Å; T24-V93 PolarHBondContact O-N 2.84Å
25L90.3Very high82.9Confident0 Ų051.5 Ų51.50%024%0.239CC..EExtended strand (participates in β ladder)trans-101.6114.5179.3-173.963.3000109.6K33 F36 V37 L69 W70 I72 V93 M95L25-K33 HydrophobicContact CD1-CG 4.27Å; L25-K33 HydrophobicContact CD2-CB 3.58Å; L25-K33 HydrophobicContact CD2-CG 3.99Å; L25-K33 VanDerWaalsContact CD2-O 3.3Å; L25-K33 WeakPolarHBondContact CD2-O 3.45Å; L25-K33 HydrophobicContact CG-CB 3.86Å; L25-K33 HydrophobicContact CG-CD 3.99Å; L25-K33 HydrophobicContact CG-CG 3.72Å; L25-F36 HydrophobicContact CD1-CD1 4.5Å; L25-F36 HydrophobicContact CD2-CD1 3.83Å; L25-V37 HydrophobicContact CD2-CG2 3.49Å; L25-V37 VanDerWaalsContact CD2-CG2 3.49Å; L25-L69 HydrophobicContact CB-CD1 4.11Å; L25-L69 HydrophobicContact CB-CG 4.44Å; L25-L69 HydrophobicContact CD2-CD2 4.45Å; L25-W70 WeakPolarHBondContact CA-O 3.35Å; L25-W70 WeakPolarHBondContact CB-O 3.42Å; L25-W70 PolarHBondContact N-O 3.35Å; L25-I72 PolarHBondContact O-N 3.24Å; L25-V93 WeakPolarHBondContact CA-O 3.29Å; L25-V93 HydrophobicContact CD1-CB 3.79Å; L25-V93 HydrophobicContact CD1-CG1 3.48Å; L25-V93 VanDerWaalsContact CD1-CG1 3.48Å; L25-M95 HydrophobicContact CD1-CB 4.08Å; L25-M95 HydrophobicContact CD1-CE 4.08Å; L25-M95 HydrophobicContact CD1-SD 4.49Å
26V92.1Very high83.8Confident0 Ų049 Ų490%023%0.225CC..EExtended strand (participates in β ladder)trans-130.8163.4-176.2-76.10000110.8T24 I72 W82 I92 V93 Y94 M95 L114T24-V26 HydrophobicContact CG2-CG1 3.81Å; V26-I72 HydrophobicContact CG1-CB 4.35Å; V26-I72 HydrophobicContact CG1-CG1 4.32Å; V26-W82 HydrophobicContact CB-CD2 4.1Å; V26-W82 HydrophobicContact CB-CE3 4.3Å; V26-W82 HydrophobicContact CB-CG 4.38Å; V26-W82 HydrophobicContact CG1-CB 4Å; V26-W82 HydrophobicContact CG1-CD2 3.96Å; V26-W82 HydrophobicContact CG1-CG 3.71Å; V26-I92 HydrophobicContact CG2-CG2 3.54Å; V26-V93 PolarHBondContact N-O 3.39Å; V26-Y94 HydrophobicContact CB-CD2 4.46Å; V26-Y94 HydrophobicContact CG2-CD2 3.81Å; V26-Y94 CarbonylContact O-C 3.59Å; V26-Y94 WeakPolarHBondContact O-CA 3.17Å; V26-M95 PolarHBondContact O-N 3.37Å; V26-L114 HydrophobicContact CG2-CD2 3.94Å
27G91.1Very high84.7Confident0 Ų047.4 Ų47.40%022%0.218CC..  trans142.9168.7-175.800000111.9K33 G74 W82G27-K33 WeakPolarHBondContact O-CE 3.18Å; G27-K33 PolarHBondContact O-NZ 2.96Å; G27-G74 VanDerWaalsContact O-CA 3.26Å; G27-G74 WeakPolarHBondContact O-CA 2.92Å; G27-W82 VanDerWaalsContact O-CZ2 3.3Å; G27-W82 WeakPolarHBondContact O-CZ2 3.44Å
28L92.1Very high85.5Confident12 Ų1237.6 Ų37.66%0.06318%0.183CC..SBendtrans-60.4158.4-175.7-60.6-174000113.1S31 K33 K103 A106 E110L28-S31 WeakPolarHBondContact O-CB 3.5Å; L28-S31 PolarHBondContact O-N 2.93Å; L28-S31 PolarHBondContact O-OG 2.77Å; L28-K33 PolarHBondContact O-NZ 3.28Å; L28-K103 HydrophobicContact CD1-CB 3.98Å; L28-K103 HydrophobicContact CD1-CD 4.49Å; L28-A106 HydrophobicContact CD1-CB 4.2Å; L28-E110 HydrophobicContact CD2-CB 4.41Å; L28-E110 HydrophobicContact CD2-CG 3.97Å
29Q92.1Very high86.1Confident46 Ų4633.6 Ų33.622%0.21517%0.167CC..THydrogen-bonded Turntrans-56.1144.4173.4-168.1-176.64.900110.2S31 P51 G74 Q75Q29-S31 PolarHBondContact O-N 3.09Å; Q29-P51 HydrophobicContact CG-CB 4.05Å; Q29-P51 HydrophobicContact CG-CG 4.28Å; Q29-G74 PolarHBondContact N-O 2.79Å; Q29-Q75 HydrophobicContact CB-CG 4.45Å; Q29-Q75 VanDerWaalsContact CD-CG 3.45Å; Q29-Q75 HydrophobicContact CG-CG 4.15Å; Q29-Q75 VanDerWaalsContact OE1-CG 3.28Å
30Y86.8Confident86Confident147 Ų14728.6 Ų28.658%0.57614%0.144SC*.THydrogen-bonded Turntrans68.36.3-177.5-49.1-69.9000116G32 P51Y30-G32 PolarHBondContact O-N 2.84Å; Y30-P51 HydrophobicContact CD1-CG 4.27Å; Y30-P51 HydrophobicContact CE1-CB 4.49Å; Y30-P51 HydrophobicContact CE1-CG 3.33Å; Y30-P51 VanDerWaalsContact CZ-CG 3.5Å; Y30-P51 VanDerWaalsContact OH-CG 3.26Å; Y30-P51 WeakPolarHBondContact OH-CG 3.22Å
31S86.6Confident85.7Confident12 Ų1224.4 Ų24.48%0.08413%0.131CC..SBendtrans-68.9-2.3178.368.50000116L28 Q29 K33 M95L28-S31 WeakPolarHBondContact O-CB 3.5Å; L28-S31 PolarHBondContact O-N 2.93Å; L28-S31 PolarHBondContact O-OG 2.77Å; Q29-S31 PolarHBondContact O-N 3.09Å; S31-K33 PolarHBondContact OG-NZ 2.85Å; S31-M95 WeakPolarHBondContact CB-O 3.45Å; S31-M95 WeakPolarHBondContact O-CG 3.34Å; S31-M95 PolarHBondContact OG-O 3.18Å
32G85.3Confident85.2Confident28 Ų2827.2 Ų27.229%0.28915%0.152SC..SBendtrans96.18.217900000115.8Y30 T34 T35 F36Y30-G32 PolarHBondContact O-N 2.84Å; G32-T34 PolarHBondContact O-N 3.36Å; G32-T35 WeakPolarHBondContact O-CB 3.23Å; G32-T35 PolarHBondContact O-N 3.36Å; G32-F36 PolarHBondContact O-N 3.43Å
33K87.8Confident84.3Confident11 Ų1126 Ų265%0.04816%0.157CC..Hα-helixtrans-53.7-54.2-175.4-67.2-175.7-64.5-65.10114L25 G27 L28 S31 T35 F36 V37 D71 I72 M95L25-K33 HydrophobicContact CD1-CG 4.27Å; L25-K33 HydrophobicContact CD2-CB 3.58Å; L25-K33 HydrophobicContact CD2-CG 3.99Å; L25-K33 VanDerWaalsContact CD2-O 3.3Å; L25-K33 WeakPolarHBondContact CD2-O 3.45Å; L25-K33 HydrophobicContact CG-CB 3.86Å; L25-K33 HydrophobicContact CG-CD 3.99Å; L25-K33 HydrophobicContact CG-CG 3.72Å; G27-K33 WeakPolarHBondContact O-CE 3.18Å; G27-K33 PolarHBondContact O-NZ 2.96Å; L28-K33 PolarHBondContact O-NZ 3.28Å; S31-K33 PolarHBondContact OG-NZ 2.85Å; K33-T35 VanDerWaalsContact C-N 3.32Å; K33-T35 PolarHBondContact O-N 3.3Å; K33-F36 WeakPolarHBondContact O-CB 3.37Å; K33-F36 PolarHBondContact O-N 3.17Å; K33-V37 WeakPolarHBondContact O-CG2 3.29Å; K33-V37 PolarHBondContact O-N 3.29Å; K33-D71 WeakPolarHBondContact CB-OD1 3.39Å; K33-I72 WeakPolarHBondContact CE-O 3.2Å; K33-M95 WeakPolarHBondContact CA-SD 3.43Å; K33-M95 HydrophobicContact CB-SD 4.34Å; K33-M95 HydrophobicContact CG-CB 3.88Å; K33-M95 HydrophobicContact CG-CG 4.32Å; K33-M95 HydrophobicContact CG-SD 3.96Å; K33-M95 PolarHBondContact N-SD 3.4Å
34T85.9Confident83.3Confident32 Ų3232.4 Ų32.420%0.19619%0.186CC..Hα-helixtrans-66.4-36.5-179-46.20000112G32 V37 N38 M49 T52 D71G32-T34 PolarHBondContact O-N 3.36Å; T34-V37 PolarHBondContact O-N 3.02Å; T34-N38 WeakPolarHBondContact O-CB 3.27Å; T34-N38 PolarHBondContact O-N 3.29Å; T34-N38 PolarHBondContact O-OD1 3.01Å; T34-M49 HydrophobicContact CG2-SD 4.27Å; T34-T52 PolarHBondContact OG1-OG1 3.43Å; T34-D71 WeakPolarHBondContact CB-OD2 3.36Å; T34-D71 PolarHBondContact OG1-OD2 2.91Å
35T84.7Confident82.2Confident26 Ų2637.2 Ų37.216%0.1621%0.207CC..Hα-helixtrans-59.9-48.9173.2-54.80000110.8G32 K33 V37 N38 V39 F45G32-T35 WeakPolarHBondContact O-CB 3.23Å; G32-T35 PolarHBondContact O-N 3.36Å; K33-T35 VanDerWaalsContact C-N 3.32Å; K33-T35 PolarHBondContact O-N 3.3Å; T35-V37 PolarHBondContact O-N 3.13Å; T35-N38 PolarHBondContact O-N 2.65Å; T35-V39 WeakPolarHBondContact O-CB 3.19Å; T35-V39 WeakPolarHBondContact O-CG2 3.21Å; T35-V39 PolarHBondContact O-N 3.09Å; T35-F45 HydrophobicContact CG2-CD2 3.56Å; T35-F45 HydrophobicContact CG2-CE2 3.47Å; T35-F45 VanDerWaalsContact CG2-CE2 3.47Å
36F83.4Confident81Confident18 Ų1841 Ų418%0.07923%0.228CC..Hα-helixtrans-56.9-50.7175.5172.7-98.5000110.8L8 L25 G32 K33 N38 V39 I40 L69 M95 L138 L140L8-F36 HydrophobicContact CD2-CE2 3.92Å; L8-F36 HydrophobicContact CD2-CZ 3.65Å; L25-F36 HydrophobicContact CD1-CD1 4.5Å; L25-F36 HydrophobicContact CD2-CD1 3.83Å; G32-F36 PolarHBondContact O-N 3.43Å; K33-F36 WeakPolarHBondContact O-CB 3.37Å; K33-F36 PolarHBondContact O-N 3.17Å; F36-N38 VanDerWaalsContact C-N 3.32Å; F36-N38 PolarHBondContact O-N 2.99Å; F36-V39 PolarHBondContact O-N 2.97Å; F36-I40 HydrophobicContact CD1-CD1 4.18Å; F36-I40 HydrophobicContact CD2-CG2 4.21Å; F36-I40 HydrophobicContact CE1-CD1 3.75Å; F36-I40 HydrophobicContact CE1-CG2 4.29Å; F36-I40 HydrophobicContact CE2-CG2 3.83Å; F36-I40 HydrophobicContact CZ-CD1 4.23Å; F36-I40 HydrophobicContact CZ-CG2 3.87Å; F36-I40 VanDerWaalsContact O-CG1 3.31Å; F36-I40 WeakPolarHBondContact O-CG1 3.12Å; F36-I40 WeakPolarHBondContact O-CG2 3.3Å; F36-I40 PolarHBondContact O-N 2.99Å; F36-L69 HydrophobicContact CD1-CD2 4.48Å; F36-L69 HydrophobicContact CE1-CD2 4.26Å; F36-M95 HydrophobicContact CB-CE 3.62Å; F36-M95 HydrophobicContact CB-SD 4.18Å; F36-M95 HydrophobicContact CD1-CE 4.11Å; F36-M95 HydrophobicContact CD2-CE 4.06Å; F36-M95 HydrophobicContact CG-CE 3.67Å; F36-L138 HydrophobicContact CD2-CD1 4.37Å; F36-L138 HydrophobicContact CD2-CD2 4.23Å; F36-L138 HydrophobicContact CE1-CD1 4.06Å; F36-L138 HydrophobicContact CE2-CD1 3.59Å; F36-L138 HydrophobicContact CE2-CD2 3.56Å; F36-L138 HydrophobicContact CE2-CG 4.2Å; F36-L138 HydrophobicContact CZ-CD1 3.4Å; F36-L138 HydrophobicContact CZ-CD2 4.21Å; F36-L138 HydrophobicContact CZ-CG 4.46Å; F36-L140 HydrophobicContact CD2-CD1 4.19Å; F36-L140 HydrophobicContact CE2-CD1 4Å
37V82.9Confident79.4Confident2 Ų248.7 Ų48.71%0.01226%0.264CS..Hα-helixtrans-56.4-42.1177.7175.20000112.2L25 K33 T34 T35 I40 A41 R58 L69 D71L25-V37 HydrophobicContact CD2-CG2 3.49Å; L25-V37 VanDerWaalsContact CD2-CG2 3.49Å; K33-V37 WeakPolarHBondContact O-CG2 3.29Å; K33-V37 PolarHBondContact O-N 3.29Å; T34-V37 PolarHBondContact O-N 3.02Å; T35-V37 PolarHBondContact O-N 3.13Å; V37-I40 WeakPolarHBondContact O-CG1 3.09Å; V37-A41 WeakPolarHBondContact O-CB 3.26Å; V37-A41 PolarHBondContact O-N 3.06Å; V37-R58 HydrophobicContact CG1-CB 4Å; V37-R58 HydrophobicContact CG1-CG 3.61Å; V37-L69 HydrophobicContact CB-CD2 4.29Å; V37-L69 HydrophobicContact CG1-CD2 4.41Å; V37-L69 HydrophobicContact CG2-CD2 3.47Å; V37-L69 VanDerWaalsContact CG2-CD2 3.47Å; V37-L69 HydrophobicContact CG2-CG 4.31Å; V37-D71 HydrophobicContact CG2-CB 3.97Å
38N82.4Confident78.2Confident22 Ų2255.4 Ų55.412%0.11830%0.299CS..Hα-helixtrans-66.7-47.5178.5-723000111.7T34 T35 F36 I40 A41 S42 G43 Q44 M49 R58T34-N38 WeakPolarHBondContact O-CB 3.27Å; T34-N38 PolarHBondContact O-N 3.29Å; T34-N38 PolarHBondContact O-OD1 3.01Å; T35-N38 PolarHBondContact O-N 2.65Å; F36-N38 VanDerWaalsContact C-N 3.32Å; F36-N38 PolarHBondContact O-N 2.99Å; N38-I40 VanDerWaalsContact C-N 3.31Å; N38-I40 PolarHBondContact O-N 3.09Å; N38-A41 PolarHBondContact O-N 2.84Å; N38-S42 PolarHBondContact O-N 3.46Å; N38-S42 PolarHBondContact O-OG 3.06Å; N38-G43 PolarHBondContact O-N 3.24Å; N38-Q44 CarbonylContact C-O 3.51Å; N38-M49 HydrophobicContact CB-CE 4.13Å; N38-M49 WeakPolarHBondContact ND2-CE 3.41Å; N38-R58 PolarHBondContact OD1-NH1 2.89Å; N38-R58 PolarHBondContact OD1-NH2 2.87Å
39V80.1Confident77.3Confident24 Ų2457.3 Ų57.315%0.14531%0.309CS..Hα-helixtrans-60.2-42.5179.3165.50000111.3M1 T35 F36 G43 F45M1-V39 HydrophobicContact CB-CG1 4.38Å; M1-V39 HydrophobicContact CE-CG2 4.36Å; M1-V39 HydrophobicContact CG-CG1 4.23Å; M1-V39 HydrophobicContact SD-CB 4.09Å; M1-V39 HydrophobicContact SD-CG1 3.31Å; M1-V39 WeakPolarHBondContact SD-CG1 3.46Å; M1-V39 HydrophobicContact SD-CG2 3.6Å; T35-V39 WeakPolarHBondContact O-CB 3.19Å; T35-V39 WeakPolarHBondContact O-CG2 3.21Å; T35-V39 PolarHBondContact O-N 3.09Å; F36-V39 PolarHBondContact O-N 2.97Å; V39-G43 WeakPolarHBondContact O-CA 3.49Å; V39-G43 PolarHBondContact O-N 3.49Å; V39-F45 HydrophobicContact CG2-CB 4.42Å; V39-F45 HydrophobicContact CG2-CD2 4.46Å
40I75.6Confident76.5Confident15 Ų1562 Ų628%0.07733%0.334CS..Hα-helixtrans-74.5-33.2-179.865.6171.2000112.9F5 F36 V37 N38 I60 L69F5-I40 HydrophobicContact CD2-CB 3.49Å; F5-I40 VanDerWaalsContact CD2-CB 3.49Å; F5-I40 HydrophobicContact CD2-CG2 3.48Å; F5-I40 VanDerWaalsContact CD2-CG2 3.48Å; F5-I40 WeakPolarHBondContact CE1-O 3.4Å; F5-I40 HydrophobicContact CE2-CB 3.44Å; F5-I40 VanDerWaalsContact CE2-CB 3.44Å; F5-I40 HydrophobicContact CE2-CG1 4.5Å; F5-I40 HydrophobicContact CE2-CG2 3.89Å; F5-I40 HydrophobicContact CG-CB 4.37Å; F5-I40 HydrophobicContact CG-CG2 4.39Å; F5-I40 HydrophobicContact CZ-CB 4.25Å; F5-I40 VanDerWaalsContact CZ-O 3.29Å; F5-I40 WeakPolarHBondContact CZ-O 3.28Å; F36-I40 HydrophobicContact CD1-CD1 4.18Å; F36-I40 HydrophobicContact CD2-CG2 4.21Å; F36-I40 HydrophobicContact CE1-CD1 3.75Å; F36-I40 HydrophobicContact CE1-CG2 4.29Å; F36-I40 HydrophobicContact CE2-CG2 3.83Å; F36-I40 HydrophobicContact CZ-CD1 4.23Å; F36-I40 HydrophobicContact CZ-CG2 3.87Å; F36-I40 VanDerWaalsContact O-CG1 3.31Å; F36-I40 WeakPolarHBondContact O-CG1 3.12Å; F36-I40 WeakPolarHBondContact O-CG2 3.3Å; F36-I40 PolarHBondContact O-N 2.99Å; V37-I40 WeakPolarHBondContact O-CG1 3.09Å; N38-I40 VanDerWaalsContact C-N 3.31Å; N38-I40 PolarHBondContact O-N 3.09Å; I40-I60 HydrophobicContact CB-CD1 4.27Å; I40-I60 HydrophobicContact CD1-CD1 3.29Å; I40-I60 HydrophobicContact CG1-CD1 3.47Å; I40-I60 VanDerWaalsContact CG1-CD1 3.47Å; I40-L69 HydrophobicContact CD1-CD2 3.45Å; I40-L69 VanDerWaalsContact CD1-CD2 3.45Å
41A76.3Confident75.8Confident41 Ų4156.7 Ų56.734%0.33932%0.317SS..Hα-helixtrans-85.1-41.3-173.700000112.7V37 N38 I60V37-A41 WeakPolarHBondContact O-CB 3.26Å; V37-A41 PolarHBondContact O-N 3.06Å; N38-A41 PolarHBondContact O-N 2.84Å; A41-I60 HydrophobicContact CB-CD1 4.12Å; A41-I60 HydrophobicContact CB-CG1 3.93Å
42S72.5Confident75.5Confident65 Ų6557.5 Ų57.546%0.45532%0.322SS..Hα-helixtrans-123.3-6.6-174.461.30000113.9N38 Q44N38-S42 PolarHBondContact O-N 3.46Å; N38-S42 PolarHBondContact O-OG 3.06Å; S42-Q44 PolarHBondContact O-N 3.21Å; S42-Q44 VanDerWaalsContact O-N 3.16Å; S42-Q44 PolarHBondContact OG-N 3.15Å
43G67.3Low75.3Confident39 Ų3961 Ų6140%0.40234%0.337SS..SBendtrans68.63.6-172.200000113.7N38 V39N38-G43 PolarHBondContact O-N 3.24Å; V39-G43 WeakPolarHBondContact O-CA 3.49Å; V39-G43 PolarHBondContact O-N 3.49Å
44Q65.2Low75.3Confident140 Ų14061.1 Ų61.165%0.65434%0.341SS*.  trans-95.3132.4-178.8-64.9-177.3-14.300110.4N38 S42N38-Q44 CarbonylContact C-O 3.51Å; S42-Q44 PolarHBondContact O-N 3.21Å; S42-Q44 VanDerWaalsContact O-N 3.16Å; S42-Q44 PolarHBondContact OG-N 3.15Å
45F65.1Low75.4Confident101 Ų10164.4 Ų64.444%0.44335%0.353SS..  trans-102.3136.6169176.7-107.6000108M1 T35 V39 E47M1-F45 HydrophobicContact CE-CB 4.24Å; T35-F45 HydrophobicContact CG2-CD2 3.56Å; T35-F45 HydrophobicContact CG2-CE2 3.47Å; T35-F45 VanDerWaalsContact CG2-CE2 3.47Å; V39-F45 HydrophobicContact CG2-CB 4.42Å; V39-F45 HydrophobicContact CG2-CD2 4.46Å; F45-E47 HydrophobicContact CD1-CG 4.01Å; F45-E47 HydrophobicContact CE1-CB 4.42Å; F45-E47 HydrophobicContact CE1-CG 3.28Å; F45-E47 HydrophobicContact CZ-CG 4.01Å
46N65Low75.6Confident81 Ų8166.7 Ų66.743%0.43337%0.365SS..  trans-121.8127.7171.4-170.4-1.5000107.2D48 M49N46-D48 PolarHBondContact OD1-N 3.32Å; N46-M49 HydrophobicContact CB-CE 3.69Å; N46-M49 HydrophobicContact CB-SD 4.29Å; N46-M49 WeakPolarHBondContact O-CG 3.14Å
47E59.5Low75.9Confident161 Ų16169.5 Ų69.575%0.75238%0.379SS*.SBendtrans-74.3-31.5179.6-75178.3-173.800111.2F45 M49F45-E47 HydrophobicContact CD1-CG 4.01Å; F45-E47 HydrophobicContact CE1-CB 4.42Å; F45-E47 HydrophobicContact CE1-CG 3.28Å; F45-E47 HydrophobicContact CZ-CG 4.01Å; E47-M49 VanDerWaalsContact C-N 3.32Å; E47-M49 PolarHBondContact O-N 3.41Å; E47-M49 VanDerWaalsContact O-N 3.1Å
48D66.3Low76.1Confident140 Ų14072.7 Ų72.775%0.74939%0.391SS*.  trans-91.258.5-176.5-62.3-42.7000112.2N46N46-D48 PolarHBondContact OD1-N 3.32Å
49M71.7Confident76.3Confident53 Ų5377.6 Ų77.626%0.26141%0.411SS..PPolyproline II helixtrans-80.9124.2176.1-68-69.2-17200111.8T34 N38 N46 E47T34-M49 HydrophobicContact CG2-SD 4.27Å; N38-M49 HydrophobicContact CB-CE 4.13Å; N38-M49 WeakPolarHBondContact ND2-CE 3.41Å; N46-M49 HydrophobicContact CB-CE 3.69Å; N46-M49 HydrophobicContact CB-SD 4.29Å; N46-M49 WeakPolarHBondContact O-CG 3.14Å; E47-M49 VanDerWaalsContact C-N 3.32Å; E47-M49 PolarHBondContact O-N 3.41Å; E47-M49 VanDerWaalsContact O-N 3.1Å
50I75.3Confident76.5Confident145 Ų14577.2 Ų77.274%0.74441%0.408SS*.PPolyproline II helixtrans-88.9153.916661.8169.6000111T52I50-T52 PolarHBondContact O-N 3.19Å
51P73.7Confident76.8Confident35 Ų3580.4 Ų80.423%0.22743%0.428CS..PPolyproline II helixtrans-55135.1173.3-27.335.1000113.8Q29 Y30 V53Q29-P51 HydrophobicContact CG-CB 4.05Å; Q29-P51 HydrophobicContact CG-CG 4.28Å; Y30-P51 HydrophobicContact CD1-CG 4.27Å; Y30-P51 HydrophobicContact CE1-CB 4.49Å; Y30-P51 HydrophobicContact CE1-CG 3.33Å; Y30-P51 VanDerWaalsContact CZ-CG 3.5Å; Y30-P51 VanDerWaalsContact OH-CG 3.26Å; Y30-P51 WeakPolarHBondContact OH-CG 3.22Å; P51-V53 PolarHBondContact O-N 3.04Å
52T78.8Confident76.7Confident28 Ų2882.4 Ų82.417%0.17243%0.429CS..PPolyproline II helixtrans-60.2125.6170.7-50.60000111.1T34 I50 D71T34-T52 PolarHBondContact OG1-OG1 3.43Å; I50-T52 PolarHBondContact O-N 3.19Å; T52-D71 PolarHBondContact OG1-OD2 2.75Å
53V81.9Confident77Confident102 Ų10282.8 Ų82.862%0.61844%0.443SS*.PPolyproline II helixtrans-94.7118.6169.7-179.50000107.6P51 F55 F78P51-V53 PolarHBondContact O-N 3.04Å; V53-F55 PolarHBondContact O-N 2.65Å; V53-F78 HydrophobicContact CB-CZ 4.44Å; V53-F78 HydrophobicContact CG1-CE2 4.4Å; V53-F78 HydrophobicContact CG1-CZ 3.8Å
54G88.1Confident77.6Confident13 Ų1385.5 Ų85.513%0.13445%0.448CS..SBendtrans80.6-118.8178.400000113G73 F78G54-G73 PolarHBondContact O-N 2.81Å; G54-F78 VanDerWaalsContact N-CE2 3.35Å
55F87.4Confident78.3Confident101 Ų10179.1 Ų79.144%0.44342%0.419SS..EExtended strand (participates in β ladder)trans-148.6153.2-176.257.5-90.2000110.7V53 W70 D71 I72 M81 Y85V53-F55 PolarHBondContact O-N 2.65Å; F55-W70 HydrophobicContact CD2-CE3 4.39Å; F55-W70 AromaticContact CD2-CZ3 3.98Å; F55-W70 HydrophobicContact CD2-CZ3 3.98Å; F55-W70 HydrophobicContact CE2-CZ3 4.41Å; F55-D71 CarbonylContact C-O 3.57Å; F55-D71 WeakPolarHBondContact CA-O 3.26Å; F55-I72 HydrophobicContact CB-CD1 3.52Å; F55-M81 HydrophobicContact CD1-CE 4.42Å; F55-M81 HydrophobicContact CD1-SD 4.04Å; F55-Y85 HydrophobicContact CB-CE2 4.45Å; F55-Y85 HydrophobicContact CD1-CE2 4.1Å; F55-Y85 AromaticContact CD1-CZ 3.92Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.4Å; F55-Y85 HydrophobicContact CD2-CE1 4.14Å; F55-Y85 AromaticContact CD2-CZ 3.84Å; F55-Y85 WeakPolarHBondContact CD2-OH 3.48Å; F55-Y85 VanDerWaalsContact CE1-OH 3.22Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.48Å; F55-Y85 VanDerWaalsContact CE2-OH 3.22Å; F55-Y85 WeakPolarHBondContact CE2-OH 3.2Å; F55-Y85 HydrophobicContact CG-CE1 4.34Å; F55-Y85 HydrophobicContact CG-CE2 4.16Å; F55-Y85 AromaticContact CG-CZ 3.75Å; F55-Y85 WeakPolarHBondContact CG-OH 3.3Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.32Å
56N88.8Confident79.2Confident75 Ų7575.1 Ų75.140%0.40140%0.403SS..EExtended strand (participates in β ladder)trans-139.5139.6174.6-168.9-1.5000110.1W70 D71N56-W70 CarbonylContact O-C 3.57Å; N56-W70 WeakPolarHBondContact O-CA 3.41Å; N56-D71 PolarHBondContact N-O 3.45Å; N56-D71 PolarHBondContact O-N 3.02Å
57M89.2Confident80.2Confident77 Ų7771.6 Ų71.638%0.37938%0.384SS..EExtended strand (participates in β ladder)trans-105.8129.3173.1-172.7-134.958.400109.9K59 L69 W70M57-K59 HydrophobicContact CE-CB 4.38Å; M57-L69 WeakPolarHBondContact CA-O 3.32Å; M57-W70 HydrophobicContact CB-CD2 4.1Å; M57-W70 HydrophobicContact CB-CE3 3.67Å; M57-W70 HydrophobicContact CB-CH2 3.83Å; M57-W70 HydrophobicContact CB-CZ2 4.24Å; M57-W70 HydrophobicContact CB-CZ3 3.54Å; M57-W70 HydrophobicContact CG-CD2 4.14Å; M57-W70 HydrophobicContact CG-CE3 4.22Å; M57-W70 HydrophobicContact CG-CH2 4.1Å; M57-W70 HydrophobicContact CG-CZ2 4.01Å; M57-W70 HydrophobicContact CG-CZ3 4.22Å
58R87.6Confident81.6Confident68 Ų6867.5 Ų67.526%0.25736%0.364SS..EExtended strand (participates in β ladder)trans-116.9130169.4-67.1-134.5-177.2148.76.1111.4V37 N38 L69V37-R58 HydrophobicContact CG1-CB 4Å; V37-R58 HydrophobicContact CG1-CG 3.61Å; N38-R58 PolarHBondContact OD1-NH1 2.89Å; N38-R58 PolarHBondContact OD1-NH2 2.87Å; R58-L69 PolarHBondContact N-O 3.49Å; R58-L69 PolarHBondContact O-N 2.76Å
59K87.3Confident82.7Confident126 Ų12661 Ų6155%0.54833%0.329SS..EExtended strand (participates in β ladder)trans-96.4125.2170.9-169.9-179.5-176-178.40108.7M57 T66 I67M57-K59 HydrophobicContact CE-CB 4.38Å; K59-T66 HydrophobicContact CD-CG2 4.22Å; K59-T66 HydrophobicContact CG-CG2 3.92Å; K59-I67 CarbonylContact C-O 3.54Å; K59-I67 WeakPolarHBondContact CA-O 3.3Å
60I83.5Confident83.7Confident15 Ų1560.8 Ų60.88%0.07733%0.325CS..EExtended strand (participates in β ladder)trans-122.7119.9179.2-52.9164.3000107.4F5 I40 A41 T66 I67F5-I60 HydrophobicContact CE1-CG2 4.5Å; F5-I60 HydrophobicContact CZ-CG2 3.72Å; I40-I60 HydrophobicContact CB-CD1 4.27Å; I40-I60 HydrophobicContact CD1-CD1 3.29Å; I40-I60 HydrophobicContact CG1-CD1 3.47Å; I40-I60 VanDerWaalsContact CG1-CD1 3.47Å; A41-I60 HydrophobicContact CB-CD1 4.12Å; A41-I60 HydrophobicContact CB-CG1 3.93Å; I60-T66 WeakPolarHBondContact O-CA 3.48Å; I60-I67 PolarHBondContact N-O 3.25Å; I60-I67 PolarHBondContact O-N 3.28Å
61T82.7Confident84.4Confident83 Ų8354 Ų5451%0.50929%0.291SS..EExtended strand (participates in β ladder)trans-119.2127.9-179-62.30000109.5V65 T66T61-V65 CarbonylContact C-O 3.57Å; T61-V65 WeakPolarHBondContact CA-O 3.39Å; T61-T66 PolarHBondContact OG1-OG1 3.35Å; T61-T66 VanDerWaalsContact OG1-OG1 3.1Å
62K73.5Confident85.3Confident83 Ų8352.3 Ų52.336%0.36128%0.28SS..EExtended strand (participates in β ladder)trans-139.8110.5176.4-170.2-175.1-176.6111.50110.6F5 N6 L9 V65F5-K62 HydrophobicContact CE1-CD 4.46Å; N6-K62 WeakPolarHBondContact OD1-CE 3.22Å; N6-K62 PolarHBondContact OD1-NZ 2.67Å; L9-K62 HydrophobicContact CD1-CB 3.93Å; L9-K62 HydrophobicContact CD1-CD 3.34Å; L9-K62 HydrophobicContact CD1-CG 4.24Å; K62-V65 PolarHBondContact N-O 3.09Å; K62-V65 PolarHBondContact O-N 3.25Å
63G79.9Confident85.9Confident72 Ų7251 Ų5174%0.74227%0.272SS*.THydrogen-bonded Turntrans63.9-131.4-171.300000110.2V65G63-V65 VanDerWaalsContact C-N 3.27Å; G63-V65 PolarHBondContact O-N 3.09Å
64N79.6Confident86.3Confident96 Ų9646.3 Ų46.351%0.51324%0.244SC..THydrogen-bonded Turntrans-82.84.6175.765.2-30.3000114.1E19E19-N64 PolarHBondContact OE1-ND2 3.33Å
65V78.7Confident86.5Confident6 Ų647.3 Ų47.34%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-108.2129.6-176.3176.30000112K13 E19 M21 T61 K62 G63 I67K13-V65 HydrophobicContact CD-CG2 3.69Å; K13-V65 HydrophobicContact CG-CG1 4.43Å; K13-V65 HydrophobicContact CG-CG2 3.86Å; E19-V65 CarbonylContact O-C 3.59Å; E19-V65 VanDerWaalsContact O-CA 3.26Å; E19-V65 WeakPolarHBondContact O-CA 3.41Å; M21-V65 HydrophobicContact CE-CG1 3.79Å; T61-V65 CarbonylContact C-O 3.57Å; T61-V65 WeakPolarHBondContact CA-O 3.39Å; K62-V65 PolarHBondContact N-O 3.09Å; K62-V65 PolarHBondContact O-N 3.25Å; G63-V65 VanDerWaalsContact C-N 3.27Å; G63-V65 PolarHBondContact O-N 3.09Å; V65-I67 HydrophobicContact CG1-CG1 4.26Å
66T85.3Confident86.6Confident17 Ų1746.9 Ų46.910%0.10425%0.252CS..EExtended strand (participates in β ladder)trans-118.9125.5176.5-69.60000109.9E19 E20 M21 K59 I60 T61E19-T66 PolarHBondContact O-N 2.87Å; E20-T66 WeakPolarHBondContact CA-O 3.32Å; M21-T66 PolarHBondContact N-O 2.83Å; K59-T66 HydrophobicContact CD-CG2 4.22Å; K59-T66 HydrophobicContact CG-CG2 3.92Å; I60-T66 WeakPolarHBondContact O-CA 3.48Å; T61-T66 PolarHBondContact OG1-OG1 3.35Å; T61-T66 VanDerWaalsContact OG1-OG1 3.1Å
67I85.7Confident86.8Confident8 Ų850.9 Ų50.94%0.04126%0.262CS..EExtended strand (participates in β ladder)trans-113.3121.7174.1-59.2-171.7000108.7L9 M21 L23 K59 I60 V65 L69L9-I67 HydrophobicContact CD2-CD1 3.22Å; L9-I67 HydrophobicContact CD2-CG1 4.26Å; M21-I67 HydrophobicContact CE-CD1 4Å; M21-I67 HydrophobicContact CE-CG1 4.01Å; M21-I67 CarbonylContact O-C 3.59Å; M21-I67 WeakPolarHBondContact O-CA 3.39Å; L23-I67 HydrophobicContact CB-CG2 4.47Å; L23-I67 HydrophobicContact CD1-CD1 4.39Å; L23-I67 HydrophobicContact CD1-CG2 3.67Å; L23-I67 HydrophobicContact CG-CG2 3.98Å; K59-I67 CarbonylContact C-O 3.54Å; K59-I67 WeakPolarHBondContact CA-O 3.3Å; I60-I67 PolarHBondContact N-O 3.25Å; I60-I67 PolarHBondContact O-N 3.28Å; V65-I67 HydrophobicContact CG1-CG1 4.26Å; I67-L69 HydrophobicContact CG2-CB 4.5Å
68K88.9Confident86.9Confident74 Ų7448.3 Ų48.332%0.32225%0.249SC..EExtended strand (participates in β ladder)trans-92.3117.5163.1-64.5177.3-171.8168.10107.7M21 E22 L23M21-K68 PolarHBondContact O-N 2.71Å; E22-K68 CarbonylContact C-O 3.55Å; E22-K68 WeakPolarHBondContact CA-O 3.36Å; E22-K68 HydrophobicContact CG-CB 4.11Å; L23-K68 PolarHBondContact N-O 3.5Å
69L89.3Confident87.1Confident3 Ų348.1 Ų48.12%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-113.6120.2179.7-17268.3000110.2L23 L25 F36 V37 I40 M57 R58 I67L23-L69 HydrophobicContact CB-CD1 3.55Å; L23-L69 HydrophobicContact CD1-CD1 4.48Å; L23-L69 WeakPolarHBondContact O-CA 3.28Å; L25-L69 HydrophobicContact CB-CD1 4.11Å; L25-L69 HydrophobicContact CB-CG 4.44Å; L25-L69 HydrophobicContact CD2-CD2 4.45Å; F36-L69 HydrophobicContact CD1-CD2 4.48Å; F36-L69 HydrophobicContact CE1-CD2 4.26Å; V37-L69 HydrophobicContact CB-CD2 4.29Å; V37-L69 HydrophobicContact CG1-CD2 4.41Å; V37-L69 HydrophobicContact CG2-CD2 3.47Å; V37-L69 VanDerWaalsContact CG2-CD2 3.47Å; V37-L69 HydrophobicContact CG2-CG 4.31Å; I40-L69 HydrophobicContact CD1-CD2 3.45Å; I40-L69 VanDerWaalsContact CD1-CD2 3.45Å; M57-L69 WeakPolarHBondContact CA-O 3.32Å; R58-L69 PolarHBondContact N-O 3.49Å; R58-L69 PolarHBondContact O-N 2.76Å; I67-L69 HydrophobicContact CG2-CB 4.5Å
70W92.3Very high87.2Confident49 Ų4946.2 Ų46.219%0.18625%0.25CS..EExtended strand (participates in β ladder)trans-89.8114.4171.7-65.9101.7000110.6E22 L23 T24 L25 F55 N56 M57 I72 Y85E22-W70 PolarHBondContact OE1-NE1 3.19Å; L23-W70 PolarHBondContact O-N 3.44Å; T24-W70 HydrophobicContact CG2-CB 4.36Å; L25-W70 WeakPolarHBondContact CA-O 3.35Å; L25-W70 WeakPolarHBondContact CB-O 3.42Å; L25-W70 PolarHBondContact N-O 3.35Å; F55-W70 HydrophobicContact CD2-CE3 4.39Å; F55-W70 AromaticContact CD2-CZ3 3.98Å; F55-W70 HydrophobicContact CD2-CZ3 3.98Å; F55-W70 HydrophobicContact CE2-CZ3 4.41Å; N56-W70 CarbonylContact O-C 3.57Å; N56-W70 WeakPolarHBondContact O-CA 3.41Å; M57-W70 HydrophobicContact CB-CD2 4.1Å; M57-W70 HydrophobicContact CB-CE3 3.67Å; M57-W70 HydrophobicContact CB-CH2 3.83Å; M57-W70 HydrophobicContact CB-CZ2 4.24Å; M57-W70 HydrophobicContact CB-CZ3 3.54Å; M57-W70 HydrophobicContact CG-CD2 4.14Å; M57-W70 HydrophobicContact CG-CE3 4.22Å; M57-W70 HydrophobicContact CG-CH2 4.1Å; M57-W70 HydrophobicContact CG-CZ2 4.01Å; M57-W70 HydrophobicContact CG-CZ3 4.22Å; W70-I72 HydrophobicContact CB-CD1 4.02Å; W70-Y85 AromaticContact CD2-CD1 3.7Å; W70-Y85 HydrophobicContact CD2-CD1 3.7Å; W70-Y85 HydrophobicContact CD2-CE1 4.07Å; W70-Y85 AromaticContact CE3-CD1 3.65Å; W70-Y85 HydrophobicContact CE3-CD1 3.65Å; W70-Y85 AromaticContact CE3-CE1 3.59Å; W70-Y85 HydrophobicContact CE3-CE1 3.59Å; W70-Y85 HydrophobicContact CG-CD1 4.11Å; W70-Y85 HydrophobicContact CH2-CE1 4.01Å; W70-Y85 HydrophobicContact CZ2-CE1 4.44Å; W70-Y85 HydrophobicContact CZ3-CD1 4.06Å; W70-Y85 AromaticContact CZ3-CE1 3.54Å; W70-Y85 HydrophobicContact CZ3-CE1 3.54Å
71D90.8Very high87.6Confident3 Ų347 Ų472%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-91.4109.8169.1179.923.3000109.1K33 T34 V37 T52 F55 N56K33-D71 WeakPolarHBondContact CB-OD1 3.39Å; T34-D71 WeakPolarHBondContact CB-OD2 3.36Å; T34-D71 PolarHBondContact OG1-OD2 2.91Å; V37-D71 HydrophobicContact CG2-CB 3.97Å; T52-D71 PolarHBondContact OG1-OD2 2.75Å; F55-D71 CarbonylContact C-O 3.57Å; F55-D71 WeakPolarHBondContact CA-O 3.26Å; N56-D71 PolarHBondContact N-O 3.45Å; N56-D71 PolarHBondContact O-N 3.02Å
72I92.3Very high88Confident0 Ų043.3 Ų43.30%023%0.231CC..EExtended strand (participates in β ladder)trans-104.5137.2-177.6-46-61000110.7T24 L25 V26 K33 F55 W70 G74 M81 W82 Y85T24-I72 HydrophobicContact CG2-CG1 4.14Å; L25-I72 PolarHBondContact O-N 3.24Å; V26-I72 HydrophobicContact CG1-CB 4.35Å; V26-I72 HydrophobicContact CG1-CG1 4.32Å; K33-I72 WeakPolarHBondContact CE-O 3.2Å; F55-I72 HydrophobicContact CB-CD1 3.52Å; W70-I72 HydrophobicContact CB-CD1 4.02Å; I72-G74 PolarHBondContact O-N 2.93Å; I72-M81 HydrophobicContact CG2-CB 4.41Å; I72-M81 HydrophobicContact CG2-CE 4.42Å; I72-W82 VanDerWaalsContact CG2-CD1 3.47Å; I72-Y85 HydrophobicContact CD1-CD1 4.05Å; I72-Y85 HydrophobicContact CD1-CD2 3.77Å; I72-Y85 HydrophobicContact CD1-CE2 4.39Å; I72-Y85 HydrophobicContact CD1-CG 3.6Å; I72-Y85 HydrophobicContact CG1-CG 4.46Å
73G90.8Very high88.8Confident0 Ų041.1 Ų41.10%022%0.222CC..  trans-55.6136176.300000112.7G54 F78 W82G54-G73 PolarHBondContact O-N 2.81Å; G73-F78 WeakPolarHBondContact O-CB 3.38Å; G73-W82 PolarHBondContact O-NE1 3.47Å; G73-W82 VanDerWaalsContact O-NE1 3.09Å
74G90.8Very high89.2Confident4 Ų446.9 Ų46.94%0.04122%0.222CC..  trans-91.1-2.8-177.200000115.7G27 Q29 I72 R79G27-G74 VanDerWaalsContact O-CA 3.26Å; G27-G74 WeakPolarHBondContact O-CA 2.92Å; Q29-G74 PolarHBondContact N-O 2.79Å; I72-G74 PolarHBondContact O-N 2.93Å; G74-R79 PolarHBondContact O-NE 3.17Å
75Q91.6Very high89.8Confident34 Ų3444.9 Ų44.916%0.15921%0.207CC..SBendtrans-67.3146.7177.6-69.9172.81100110.3Q29 R77 F78 R79Q29-Q75 HydrophobicContact CB-CG 4.45Å; Q29-Q75 VanDerWaalsContact CD-CG 3.45Å; Q29-Q75 HydrophobicContact CG-CG 4.15Å; Q29-Q75 VanDerWaalsContact OE1-CG 3.28Å; Q75-R77 HydrophobicContact CB-CG 4.15Å; Q75-R77 PolarHBondContact O-N 2.96Å; Q75-R77 VanDerWaalsContact O-N 3.09Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.23Å; Q75-F78 HydrophobicContact CB-CD2 3.85Å; Q75-F78 HydrophobicContact CB-CE2 4.28Å; Q75-F78 PolarHBondContact O-N 2.79Å; Q75-R79 PolarHBondContact O-N 3.29Å
76P91.3Very high90.1Very high91 Ų9144.6 Ų44.659%0.59121%0.205SC*.Hα-helixtrans-47.6-42.9179.8-29.734.7000114.1F78 R79P76-F78 PolarHBondContact O-N 2.78Å; P76-R79 PolarHBondContact O-N 3.04Å; P76-R79 VanDerWaalsContact O-N 3.13Å
77R92.3Very high90.1Very high159 Ų15952.1 Ų52.160%0.623%0.232SC*.Hα-helixtrans-59.7-19.3178.566.4175173.3172.41115.2Q75Q75-R77 HydrophobicContact CB-CG 4.15Å; Q75-R77 PolarHBondContact O-N 2.96Å; Q75-R77 VanDerWaalsContact O-N 3.09Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.23Å
78F91.5Very high89.8Confident24 Ų2455.1 Ų55.111%0.10527%0.265CS..Hα-helixtrans-104-9.3-178.8-61.4-44.7000113.4V53 G54 G73 Q75 P76 S80 M81V53-F78 HydrophobicContact CB-CZ 4.44Å; V53-F78 HydrophobicContact CG1-CE2 4.4Å; V53-F78 HydrophobicContact CG1-CZ 3.8Å; G54-F78 VanDerWaalsContact N-CE2 3.35Å; G73-F78 WeakPolarHBondContact O-CB 3.38Å; Q75-F78 HydrophobicContact CB-CD2 3.85Å; Q75-F78 HydrophobicContact CB-CE2 4.28Å; Q75-F78 PolarHBondContact O-N 2.79Å; P76-F78 PolarHBondContact O-N 2.78Å; F78-S80 VanDerWaalsContact C-N 3.27Å; F78-S80 PolarHBondContact O-N 2.75Å; F78-M81 HydrophobicContact CB-CE 3.52Å; F78-M81 HydrophobicContact CD1-CE 3.36Å; F78-M81 HydrophobicContact CE1-CE 4.36Å; F78-M81 HydrophobicContact CG-CE 3.73Å; F78-M81 WeakPolarHBondContact O-CB 3.36Å; F78-M81 PolarHBondContact O-N 3.27Å
79R90.8Very high89.4Confident63 Ų6352.2 Ų52.224%0.23825%0.253CS..Hα-helixtrans-65.4-28.8-175.7-61.5-172.2-172148.41.5113.3G74 Q75 P76 M81 W82 E110G74-R79 PolarHBondContact O-NE 3.17Å; Q75-R79 PolarHBondContact O-N 3.29Å; P76-R79 PolarHBondContact O-N 3.04Å; P76-R79 VanDerWaalsContact O-N 3.13Å; R79-M81 PolarHBondContact O-N 2.8Å; R79-M81 VanDerWaalsContact O-N 3.17Å; R79-W82 HydrophobicContact CB-CD2 4.32Å; R79-W82 HydrophobicContact CG-CD2 4.42Å; R79-W82 HydrophobicContact CG-CH2 4.18Å; R79-W82 HydrophobicContact CG-CZ2 3.79Å; R79-W82 VanDerWaalsContact O-CB 3.28Å; R79-W82 WeakPolarHBondContact O-CB 3.45Å; R79-W82 PolarHBondContact O-N 2.96Å; R79-E110 VanDerWaalsContact CD-CD 3.43Å; R79-E110 WeakPolarHBondContact CD-OE1 3.47Å; R79-E110 WeakPolarHBondContact CD-OE2 3.38Å; R79-E110 IonicContact CZ-OE1 3.46Å; R79-E110 IonicContact NE-OE1 3.74Å; R79-E110 IonicContact NH1-OE1 2.65Å; R79-E110 PolarHBondContact NH1-OE1 2.86Å
80S90.4Very high89Confident86 Ų8652.9 Ų52.960%0.60126%0.258SS*.Hα-helixtrans-62.3-20172.759.50000113.6F78F78-S80 VanDerWaalsContact C-N 3.27Å; F78-S80 PolarHBondContact O-N 2.75Å
81M91Very high88.5Confident33 Ų3351 Ų5116%0.16325%0.253CS..Hα-helixtrans-80.8-22.4174.9-60.6-173.5-61.500112.3F55 I72 F78 R79 E83 R84 Y85F55-M81 HydrophobicContact CD1-CE 4.42Å; F55-M81 HydrophobicContact CD1-SD 4.04Å; I72-M81 HydrophobicContact CG2-CB 4.41Å; I72-M81 HydrophobicContact CG2-CE 4.42Å; F78-M81 HydrophobicContact CB-CE 3.52Å; F78-M81 HydrophobicContact CD1-CE 3.36Å; F78-M81 HydrophobicContact CE1-CE 4.36Å; F78-M81 HydrophobicContact CG-CE 3.73Å; F78-M81 WeakPolarHBondContact O-CB 3.36Å; F78-M81 PolarHBondContact O-N 3.27Å; R79-M81 PolarHBondContact O-N 2.8Å; R79-M81 VanDerWaalsContact O-N 3.17Å; M81-E83 VanDerWaalsContact C-N 3.31Å; M81-E83 PolarHBondContact O-N 2.88Å; M81-R84 WeakPolarHBondContact O-CB 3.33Å; M81-R84 PolarHBondContact O-N 3.48Å; M81-Y85 HydrophobicContact CB-CD2 4.04Å; M81-Y85 HydrophobicContact CB-CE2 4.12Å; M81-Y85 VanDerWaalsContact O-CD2 3.3Å; M81-Y85 WeakPolarHBondContact O-CD2 3.37Å; M81-Y85 PolarHBondContact O-N 2.95Å; M81-Y85 VanDerWaalsContact O-N 3.09Å
82W92.1Very high88.1Confident4 Ų452.8 Ų52.82%0.01526%0.262CS..Hα-helixtrans-55.3-48-176.1-65.36.3000111.5V26 G27 I72 G73 R79 R84 Y85 C86 Y94 E110 L114V26-W82 HydrophobicContact CB-CD2 4.1Å; V26-W82 HydrophobicContact CB-CE3 4.3Å; V26-W82 HydrophobicContact CB-CG 4.38Å; V26-W82 HydrophobicContact CG1-CB 4Å; V26-W82 HydrophobicContact CG1-CD2 3.96Å; V26-W82 HydrophobicContact CG1-CG 3.71Å; G27-W82 VanDerWaalsContact O-CZ2 3.3Å; G27-W82 WeakPolarHBondContact O-CZ2 3.44Å; I72-W82 VanDerWaalsContact CG2-CD1 3.47Å; G73-W82 PolarHBondContact O-NE1 3.47Å; G73-W82 VanDerWaalsContact O-NE1 3.09Å; R79-W82 HydrophobicContact CB-CD2 4.32Å; R79-W82 HydrophobicContact CG-CD2 4.42Å; R79-W82 HydrophobicContact CG-CH2 4.18Å; R79-W82 HydrophobicContact CG-CZ2 3.79Å; R79-W82 VanDerWaalsContact O-CB 3.28Å; R79-W82 WeakPolarHBondContact O-CB 3.45Å; R79-W82 PolarHBondContact O-N 2.96Å; W82-R84 VanDerWaalsContact C-N 3.29Å; W82-R84 PolarHBondContact O-N 3.28Å; W82-Y85 PolarHBondContact O-N 2.96Å; W82-C86 VanDerWaalsContact O-CB 3.29Å; W82-C86 WeakPolarHBondContact O-CB 3.46Å; W82-C86 PolarHBondContact O-N 3.49Å; W82-C86 PolarHBondContact O-SG 3.29Å; W82-Y94 HydrophobicContact CH2-CE2 4.39Å; W82-Y94 AromaticContact CZ3-CE2 3.98Å; W82-Y94 HydrophobicContact CZ3-CE2 3.98Å; W82-E110 HydrophobicContact CH2-CB 4.33Å; W82-E110 HydrophobicContact CZ3-CB 4Å; W82-L114 HydrophobicContact CB-CD1 3.82Å; W82-L114 HydrophobicContact CE3-CD2 4.21Å
83E89.1Confident87.8Confident37 Ų3753.1 Ų53.117%0.17326%0.264CS..Hα-helixtrans-54.9-43.1176.4-179.3177.7176.600112.4M81 R87 K117 Q119M81-E83 VanDerWaalsContact C-N 3.31Å; M81-E83 PolarHBondContact O-N 2.88Å; E83-R87 PolarHBondContact O-N 2.85Å; E83-K117 HydrophobicContact CB-CG 4.35Å; E83-K117 HydrophobicContact CG-CB 4.14Å; E83-K117 HydrophobicContact CG-CD 4.4Å; E83-K117 HydrophobicContact CG-CG 3.99Å; E83-K117 WeakPolarHBondContact OE2-CD 3.33Å; E83-K117 WeakPolarHBondContact OE2-CE 3.39Å; E83-K117 IonicContact OE2-NZ 3.59Å; E83-Q119 PolarHBondContact OE1-NE2 3.2Å; E83-Q119 PolarHBondContact OE1-OE1 3.45Å
84R89.9Confident87.7Confident194 Ų19454.1 Ų54.173%0.73227%0.268SS*.Hα-helixtrans-66.4-42-178.5-61.3-177.8178.7-171.9-1.8112.2M81 W82M81-R84 WeakPolarHBondContact O-CB 3.33Å; M81-R84 PolarHBondContact O-N 3.48Å; W82-R84 VanDerWaalsContact C-N 3.29Å; W82-R84 PolarHBondContact O-N 3.28Å
85Y90.6Very high87.5Confident54 Ų5454.3 Ų54.321%0.21227%0.268CS..Hα-helixtrans-85.9-14.5-177.8-73.5-84.5000113.4T24 F55 W70 I72 M81 W82 V89T24-Y85 PolarHBondContact OG1-O 3.05Å; F55-Y85 HydrophobicContact CB-CE2 4.45Å; F55-Y85 HydrophobicContact CD1-CE2 4.1Å; F55-Y85 AromaticContact CD1-CZ 3.92Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.4Å; F55-Y85 HydrophobicContact CD2-CE1 4.14Å; F55-Y85 AromaticContact CD2-CZ 3.84Å; F55-Y85 WeakPolarHBondContact CD2-OH 3.48Å; F55-Y85 VanDerWaalsContact CE1-OH 3.22Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.48Å; F55-Y85 VanDerWaalsContact CE2-OH 3.22Å; F55-Y85 WeakPolarHBondContact CE2-OH 3.2Å; F55-Y85 HydrophobicContact CG-CE1 4.34Å; F55-Y85 HydrophobicContact CG-CE2 4.16Å; F55-Y85 AromaticContact CG-CZ 3.75Å; F55-Y85 WeakPolarHBondContact CG-OH 3.3Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.32Å; W70-Y85 AromaticContact CD2-CD1 3.7Å; W70-Y85 HydrophobicContact CD2-CD1 3.7Å; W70-Y85 HydrophobicContact CD2-CE1 4.07Å; W70-Y85 AromaticContact CE3-CD1 3.65Å; W70-Y85 HydrophobicContact CE3-CD1 3.65Å; W70-Y85 AromaticContact CE3-CE1 3.59Å; W70-Y85 HydrophobicContact CE3-CE1 3.59Å; W70-Y85 HydrophobicContact CG-CD1 4.11Å; W70-Y85 HydrophobicContact CH2-CE1 4.01Å; W70-Y85 HydrophobicContact CZ2-CE1 4.44Å; W70-Y85 HydrophobicContact CZ3-CD1 4.06Å; W70-Y85 AromaticContact CZ3-CE1 3.54Å; W70-Y85 HydrophobicContact CZ3-CE1 3.54Å; I72-Y85 HydrophobicContact CD1-CD1 4.05Å; I72-Y85 HydrophobicContact CD1-CD2 3.77Å; I72-Y85 HydrophobicContact CD1-CE2 4.39Å; I72-Y85 HydrophobicContact CD1-CG 3.6Å; I72-Y85 HydrophobicContact CG1-CG 4.46Å; M81-Y85 HydrophobicContact CB-CD2 4.04Å; M81-Y85 HydrophobicContact CB-CE2 4.12Å; M81-Y85 VanDerWaalsContact O-CD2 3.3Å; M81-Y85 WeakPolarHBondContact O-CD2 3.37Å; M81-Y85 PolarHBondContact O-N 2.95Å; M81-Y85 VanDerWaalsContact O-N 3.09Å; W82-Y85 PolarHBondContact O-N 2.96Å; Y85-V89 VanDerWaalsContact O-CG1 3.23Å; Y85-V89 WeakPolarHBondContact O-CG1 3.26Å
86C86.5Confident87.2Confident0 Ų053.9 Ų53.90%027%0.268CS..Hα-helixtrans-83.2-12.8172.1-720000112.7T24 W82 G88 V89 I92 L120 I123T24-C86 VanDerWaalsContact CG2-SG 3.58Å; W82-C86 VanDerWaalsContact O-CB 3.29Å; W82-C86 WeakPolarHBondContact O-CB 3.46Å; W82-C86 PolarHBondContact O-N 3.49Å; W82-C86 PolarHBondContact O-SG 3.29Å; C86-G88 PolarHBondContact O-N 2.92Å; C86-V89 VanDerWaalsContact O-CG2 3.27Å; C86-V89 WeakPolarHBondContact O-CG2 3.04Å; C86-I92 HydrophobicContact CB-CD1 3.67Å; C86-I92 HydrophobicContact CB-CG1 4.02Å; C86-L120 HydrophobicContact CB-CD1 3.8Å; C86-L120 HydrophobicContact CB-CD2 3.47Å; C86-L120 VanDerWaalsContact CB-CD2 3.47Å; C86-L120 HydrophobicContact CB-CG 4.34Å; C86-L120 WeakPolarHBondContact O-CD2 2.94Å; C86-I123 WeakPolarHBondContact O-CD1 3.32Å
87R85.1Confident87Confident174 Ų17452.5 Ų52.566%0.65726%0.256SS*.THydrogen-bonded Turntrans-70.7127.5-177.7-173.3176.8177.7179.1-0.9111.6E83 V89E83-R87 PolarHBondContact O-N 2.85Å; R87-V89 PolarHBondContact O-N 3.5Å
88G78.1Confident86.5Confident72 Ų7246.1 Ų46.174%0.74224%0.236SC*.THydrogen-bonded Turntrans74.48173.500000115C86C86-G88 PolarHBondContact O-N 2.92Å
89V81.8Confident86Confident12 Ų1247.4 Ų47.47%0.07325%0.252CS..  trans-74.5157.6175.9-53.90000111.1E22 T24 Y85 C86 R87 A91 I92 I123E22-V89 HydrophobicContact CG-CG1 4.31Å; E22-V89 WeakPolarHBondContact O-CB 3.33Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.33Å; Y85-V89 VanDerWaalsContact O-CG1 3.23Å; Y85-V89 WeakPolarHBondContact O-CG1 3.26Å; C86-V89 VanDerWaalsContact O-CG2 3.27Å; C86-V89 WeakPolarHBondContact O-CG2 3.04Å; R87-V89 PolarHBondContact O-N 3.5Å; V89-A91 WeakPolarHBondContact CG2-O 3.42Å; V89-I92 HydrophobicContact CG2-CG1 3.84Å; V89-I123 HydrophobicContact CG2-CD1 4.41Å
90S80.8Confident85.6Confident17 Ų1746 Ų4612%0.11925%0.249CC..SBendtrans-71.9-36.7174.5-57.50000111.8F16 E22F16-S90 VanDerWaalsContact CE1-O 3.26Å; F16-S90 WeakPolarHBondContact CE1-O 3.38Å; E22-S90 PolarHBondContact N-OG 3.16Å; E22-S90 WeakPolarHBondContact O-CB 3.42Å; E22-S90 PolarHBondContact O-N 2.95Å
91A81.3Confident85.3Confident9 Ų948.6 Ų48.67%0.07425%0.251CS..EExtended strand (participates in β ladder)trans-155.6155.1171.500000112.2F16 L23 T24 V89F16-A91 HydrophobicContact CE1-CB 4.45Å; F16-A91 HydrophobicContact CE2-CB 4.09Å; F16-A91 HydrophobicContact CZ-CB 3.62Å; L23-A91 WeakPolarHBondContact CA-O 3.36Å; L23-A91 HydrophobicContact CD2-CB 3.65Å; T24-A91 PolarHBondContact N-O 3.41Å; V89-A91 WeakPolarHBondContact CG2-O 3.42Å
92I83.3Confident85.3Confident41 Ų4155.6 Ų55.621%0.2128%0.284CS..EExtended strand (participates in β ladder)trans-102128.7170.9-58.4169.3000107.6V26 C86 V89 L120 I123V26-I92 HydrophobicContact CG2-CG2 3.54Å; C86-I92 HydrophobicContact CB-CD1 3.67Å; C86-I92 HydrophobicContact CB-CG1 4.02Å; V89-I92 HydrophobicContact CG2-CG1 3.84Å; I92-L120 HydrophobicContact CD1-CD1 4.12Å; I92-I123 HydrophobicContact CD1-CD1 4.19Å; I92-I123 HydrophobicContact CD1-CG2 4.38Å; I92-I123 HydrophobicContact CG1-CG2 4.4Å
93V85.8Confident85Confident7 Ų759.4 Ų59.44%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-104.7110.8173.1-177.70000107.8F12 T24 L25 V26 L138F12-V93 HydrophobicContact CZ-CG2 4.27Å; T24-V93 PolarHBondContact O-N 2.84Å; L25-V93 WeakPolarHBondContact CA-O 3.29Å; L25-V93 HydrophobicContact CD1-CB 3.79Å; L25-V93 HydrophobicContact CD1-CG1 3.48Å; L25-V93 VanDerWaalsContact CD1-CG1 3.48Å; V26-V93 PolarHBondContact N-O 3.39Å; V93-L138 HydrophobicContact CG1-CD1 3.55Å
94Y87.1Confident84.9Confident22 Ų2260.4 Ų60.49%0.08631%0.306CS..EExtended strand (participates in β ladder)trans-97.3124176.6-165.6-91.1000110.6V26 W82 V96 S107 L111V26-Y94 HydrophobicContact CB-CD2 4.46Å; V26-Y94 HydrophobicContact CG2-CD2 3.81Å; V26-Y94 CarbonylContact O-C 3.59Å; V26-Y94 WeakPolarHBondContact O-CA 3.17Å; W82-Y94 HydrophobicContact CH2-CE2 4.39Å; W82-Y94 AromaticContact CZ3-CE2 3.98Å; W82-Y94 HydrophobicContact CZ3-CE2 3.98Å; Y94-V96 HydrophobicContact CD1-CG2 3.68Å; Y94-V96 HydrophobicContact CE1-CG2 3.56Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.49Å; Y94-S107 PolarHBondContact OH-O 2.86Å; Y94-S107 PolarHBondContact OH-OG 2.91Å; Y94-L111 HydrophobicContact CD1-CB 4.41Å; Y94-L111 HydrophobicContact CD1-CD1 4.38Å; Y94-L111 HydrophobicContact CD1-CD2 4.27Å; Y94-L111 HydrophobicContact CD2-CB 4.3Å; Y94-L111 HydrophobicContact CD2-CD1 3.71Å; Y94-L111 HydrophobicContact CE1-CB 4.08Å; Y94-L111 HydrophobicContact CE2-CB 3.97Å; Y94-L111 HydrophobicContact CE2-CD1 4.21Å; Y94-L111 HydrophobicContact CG-CD1 3.83Å; Y94-L111 HydrophobicContact CG-CD2 4.47Å
95M87.3Confident84.8Confident7 Ų756.2 Ų56.23%0.03430%0.295CS..  trans-112.7125.9-173.4-171.4163.3-8100112L25 V26 S31 K33 F36 L138L25-M95 HydrophobicContact CD1-CB 4.08Å; L25-M95 HydrophobicContact CD1-CE 4.08Å; L25-M95 HydrophobicContact CD1-SD 4.49Å; V26-M95 PolarHBondContact O-N 3.37Å; S31-M95 WeakPolarHBondContact CB-O 3.45Å; S31-M95 WeakPolarHBondContact O-CG 3.34Å; S31-M95 PolarHBondContact OG-O 3.18Å; K33-M95 WeakPolarHBondContact CA-SD 3.43Å; K33-M95 HydrophobicContact CB-SD 4.34Å; K33-M95 HydrophobicContact CG-CB 3.88Å; K33-M95 HydrophobicContact CG-CG 4.32Å; K33-M95 HydrophobicContact CG-SD 3.96Å; K33-M95 PolarHBondContact N-SD 3.4Å; F36-M95 HydrophobicContact CB-CE 3.62Å; F36-M95 HydrophobicContact CB-SD 4.18Å; F36-M95 HydrophobicContact CD1-CE 4.11Å; F36-M95 HydrophobicContact CD2-CE 4.06Å; F36-M95 HydrophobicContact CG-CE 3.67Å; M95-L138 HydrophobicContact CE-CB 3.98Å
96V86.2Confident84.7Confident25 Ų2556 Ų5615%0.15230%0.304CS..  trans-121.8134-177.6-175.10000108.8Y94 A98 I104 L137Y94-V96 HydrophobicContact CD1-CG2 3.68Å; Y94-V96 HydrophobicContact CE1-CG2 3.56Å; V96-A98 PolarHBondContact O-N 3.1Å; V96-I104 HydrophobicContact CG1-CD1 3.49Å; V96-I104 VanDerWaalsContact CG1-CD1 3.49Å; V96-L137 HydrophobicContact CB-CD2 4.21Å; V96-L137 HydrophobicContact CG2-CD2 4.31Å
97D85.4Confident84.7Confident63 Ų6356.1 Ų56.134%0.33731%0.305SS..  trans-80.1112.3165.6-175.7-5000108.5A99 D100D97-A99 WeakPolarHBondContact OD1-CB 3.38Å; D97-A99 PolarHBondContact OD1-N 2.89Å; D97-D100 HydrophobicContact CB-CB 4.18Å
98A82.8Confident84.9Confident24 Ų2452.5 Ų52.520%0.19829%0.294CS..SBendtrans-83.2-13.3-178.800000114V96 D100 Q101 H139V96-A98 PolarHBondContact O-N 3.1Å; A98-D100 VanDerWaalsContact C-N 3.32Å; A98-Q101 PolarHBondContact O-NE2 2.88Å; A98-H139 WeakPolarHBondContact CB-CE1 3.31Å; A98-H139 WeakPolarHBondContact CB-NE2 3.18Å
99A80.8Confident85.4Confident52 Ų5252.7 Ų52.743%0.4328%0.278SS..SBendtrans-74.9-29.7171.500000110.8D97 Q101D97-A99 WeakPolarHBondContact OD1-CB 3.38Å; D97-A99 PolarHBondContact OD1-N 2.89Å; A99-Q101 PolarHBondContact O-N 3.34Å
100D81.8Confident85.8Confident33 Ų3354.1 Ų54.118%0.17628%0.284CS..  trans-89.677.6-179.5-165.4-23000111.7D97 A98 E102 K103D97-D100 HydrophobicContact CB-CB 4.18Å; A98-D100 VanDerWaalsContact C-N 3.32Å; D100-E102 PolarHBondContact O-N 3.24Å; D100-E102 PolarHBondContact OD1-N 3.22Å; D100-K103 HydrophobicContact CB-CB 4.49Å; D100-K103 PolarHBondContact O-N 2.92Å; D100-K103 VanDerWaalsContact O-N 3.15Å; D100-K103 PolarHBondContact OD1-N 3.41Å; D100-K103 WeakPolarHBondContact OD2-CD 3.18Å; D100-K103 WeakPolarHBondContact OD2-CE 3.47Å; D100-K103 IonicContact OD2-NZ 2.65Å; D100-K103 PolarHBondContact OD2-NZ 3.47Å
101Q85.6Confident86.2Confident140 Ų14054.9 Ų54.965%0.65429%0.287SS*.Hα-helixtrans-59.4-30.2-178.6-66-65-37.900113.1A98 A99 K103 I104A98-Q101 PolarHBondContact O-NE2 2.88Å; A99-Q101 PolarHBondContact O-N 3.34Å; Q101-K103 VanDerWaalsContact C-N 3.26Å; Q101-K103 PolarHBondContact O-N 2.94Å; Q101-I104 PolarHBondContact O-N 2.85Å
102E90.5Very high86.3Confident181 Ų18158.6 Ų58.685%0.84630%0.302SS*.Hα-helixtrans-65.8-30.7179.6-62-177.4179.100112D100D100-E102 PolarHBondContact O-N 3.24Å; D100-E102 PolarHBondContact OD1-N 3.22Å
103K85.9Confident86.6Confident83 Ų8360.8 Ų60.836%0.36132%0.315SS..Hα-helixtrans-89-7.7-179.2-71-174.3-167.61360114.4L28 D100 Q101 E105 A106 S107L28-K103 HydrophobicContact CD1-CB 3.98Å; L28-K103 HydrophobicContact CD1-CD 4.49Å; D100-K103 HydrophobicContact CB-CB 4.49Å; D100-K103 PolarHBondContact O-N 2.92Å; D100-K103 VanDerWaalsContact O-N 3.15Å; D100-K103 PolarHBondContact OD1-N 3.41Å; D100-K103 WeakPolarHBondContact OD2-CD 3.18Å; D100-K103 WeakPolarHBondContact OD2-CE 3.47Å; D100-K103 IonicContact OD2-NZ 2.65Å; D100-K103 PolarHBondContact OD2-NZ 3.47Å; Q101-K103 VanDerWaalsContact C-N 3.26Å; Q101-K103 PolarHBondContact O-N 2.94Å; K103-E105 PolarHBondContact O-N 3.2Å; K103-A106 PolarHBondContact O-N 2.78Å; K103-S107 WeakPolarHBondContact O-CB 3.33Å; K103-S107 PolarHBondContact O-N 3.27Å
104I85.9Confident86.5Confident58 Ų5860.8 Ų60.830%0.29732%0.315SS..Hα-helixtrans-59-48.8-176.7-65.1-63.8000111.6V96 Q101 A106 S107 K108V96-I104 HydrophobicContact CG1-CD1 3.49Å; V96-I104 VanDerWaalsContact CG1-CD1 3.49Å; Q101-I104 PolarHBondContact O-N 2.85Å; I104-A106 PolarHBondContact O-N 2.8Å; I104-S107 WeakPolarHBondContact O-CB 3.46Å; I104-S107 PolarHBondContact O-N 2.72Å; I104-K108 WeakPolarHBondContact O-CB 3.31Å; I104-K108 PolarHBondContact O-N 3.41Å
105E87.8Confident86.3Confident106 Ų10661.3 Ų61.350%0.49532%0.318SS..Hα-helixtrans-65.9-42.3-178.3-172.558.7-154.800111.5K103 S107 K108 N109K103-E105 PolarHBondContact O-N 3.2Å; E105-S107 VanDerWaalsContact C-N 3.3Å; E105-S107 PolarHBondContact O-N 3.44Å; E105-K108 PolarHBondContact O-N 2.95Å; E105-N109 PolarHBondContact O-N 2.91Å; E105-N109 PolarHBondContact O-ND2 3.37Å; E105-N109 VanDerWaalsContact O-ND2 3.17Å
106A88.8Confident86.2Confident49 Ų4966.6 Ų66.641%0.40535%0.347SS..Hα-helixtrans-60.8-40.5173.900000111.7L28 K103 I104 N109 E110L28-A106 HydrophobicContact CD1-CB 4.2Å; K103-A106 PolarHBondContact O-N 2.78Å; I104-A106 PolarHBondContact O-N 2.8Å; A106-N109 PolarHBondContact O-N 3.34Å; A106-E110 WeakPolarHBondContact O-CG 3.42Å; A106-E110 PolarHBondContact O-N 3.05Å; A106-E110 VanDerWaalsContact O-N 3.09Å
107S87.9Confident86Confident3 Ų369.1 Ų69.12%0.02136%0.356CS..Hα-helixtrans-66.4-43.6178.7-156.80000111.2Y94 K103 I104 E105 N109 E110 L111Y94-S107 WeakPolarHBondContact CE1-OG 3.49Å; Y94-S107 PolarHBondContact OH-O 2.86Å; Y94-S107 PolarHBondContact OH-OG 2.91Å; K103-S107 WeakPolarHBondContact O-CB 3.33Å; K103-S107 PolarHBondContact O-N 3.27Å; I104-S107 WeakPolarHBondContact O-CB 3.46Å; I104-S107 PolarHBondContact O-N 2.72Å; E105-S107 VanDerWaalsContact C-N 3.3Å; E105-S107 PolarHBondContact O-N 3.44Å; S107-N109 PolarHBondContact O-N 2.91Å; S107-E110 PolarHBondContact O-N 2.83Å; S107-L111 PolarHBondContact O-N 3.23Å
108K87.6Confident85.8Confident98 Ų9870.4 Ų70.443%0.42637%0.368SS..Hα-helixtrans-57.9-47.9175.6176.9-176166.3-161.20111.4I104 E105 E110 L111 H112I104-K108 WeakPolarHBondContact O-CB 3.31Å; I104-K108 PolarHBondContact O-N 3.41Å; E105-K108 PolarHBondContact O-N 2.95Å; K108-E110 VanDerWaalsContact C-N 3.33Å; K108-E110 PolarHBondContact O-N 2.84Å; K108-L111 WeakPolarHBondContact O-CB 3.26Å; K108-L111 PolarHBondContact O-N 3.18Å; K108-H112 PolarHBondContact O-CD2 3.1Å; K108-H112 PolarHBondContact O-N 3.46Å
109N88.9Confident85.4Confident76 Ų7673.8 Ų73.841%0.40638%0.379SS..Hα-helixtrans-60.6-42178.1-70.9-32.6000112.2E105 A106 S107 L111 H112 N113E105-N109 PolarHBondContact O-N 2.91Å; E105-N109 PolarHBondContact O-ND2 3.37Å; E105-N109 VanDerWaalsContact O-ND2 3.17Å; A106-N109 PolarHBondContact O-N 3.34Å; S107-N109 PolarHBondContact O-N 2.91Å; N109-L111 VanDerWaalsContact C-N 3.35Å; N109-L111 PolarHBondContact O-N 3.28Å; N109-H112 PolarHBondContact O-N 3.27Å; N109-N113 WeakPolarHBondContact O-CB 3.39Å; N109-N113 PolarHBondContact O-N 2.86Å; N109-N113 PolarHBondContact O-ND2 3.01Å
110E90.4Very high85Confident42 Ų4271.5 Ų71.520%0.19636%0.36CS..Hα-helixtrans-67-33.8176.2-71.1-66.3172.700113.2L28 R79 W82 A106 S107 K108 L114L28-E110 HydrophobicContact CD2-CB 4.41Å; L28-E110 HydrophobicContact CD2-CG 3.97Å; R79-E110 VanDerWaalsContact CD-CD 3.43Å; R79-E110 WeakPolarHBondContact CD-OE1 3.47Å; R79-E110 WeakPolarHBondContact CD-OE2 3.38Å; R79-E110 IonicContact CZ-OE1 3.46Å; R79-E110 IonicContact NE-OE1 3.74Å; R79-E110 IonicContact NH1-OE1 2.65Å; R79-E110 PolarHBondContact NH1-OE1 2.86Å; W82-E110 HydrophobicContact CH2-CB 4.33Å; W82-E110 HydrophobicContact CZ3-CB 4Å; A106-E110 WeakPolarHBondContact O-CG 3.42Å; A106-E110 PolarHBondContact O-N 3.05Å; A106-E110 VanDerWaalsContact O-N 3.09Å; S107-E110 PolarHBondContact O-N 2.83Å; K108-E110 VanDerWaalsContact C-N 3.33Å; K108-E110 PolarHBondContact O-N 2.84Å; E110-L114 WeakPolarHBondContact O-CB 3.48Å; E110-L114 PolarHBondContact O-N 3.27Å; E110-L114 VanDerWaalsContact O-N 3.1Å
111L88.4Confident84.2Confident33 Ų3377 Ų7717%0.17339%0.385CS..Hα-helixtrans-65.4-49.1172.9175.859.9000111Y94 S107 K108 N109 N113 L114 L115Y94-L111 HydrophobicContact CD1-CB 4.41Å; Y94-L111 HydrophobicContact CD1-CD1 4.38Å; Y94-L111 HydrophobicContact CD1-CD2 4.27Å; Y94-L111 HydrophobicContact CD2-CB 4.3Å; Y94-L111 HydrophobicContact CD2-CD1 3.71Å; Y94-L111 HydrophobicContact CE1-CB 4.08Å; Y94-L111 HydrophobicContact CE2-CB 3.97Å; Y94-L111 HydrophobicContact CE2-CD1 4.21Å; Y94-L111 HydrophobicContact CG-CD1 3.83Å; Y94-L111 HydrophobicContact CG-CD2 4.47Å; S107-L111 PolarHBondContact O-N 3.23Å; K108-L111 WeakPolarHBondContact O-CB 3.26Å; K108-L111 PolarHBondContact O-N 3.18Å; N109-L111 VanDerWaalsContact C-N 3.35Å; N109-L111 PolarHBondContact O-N 3.28Å; L111-N113 PolarHBondContact O-N 2.81Å; L111-L114 WeakPolarHBondContact O-CB 3.33Å; L111-L114 PolarHBondContact O-N 3.37Å; L111-L114 VanDerWaalsContact O-N 3.14Å; L111-L115 HydrophobicContact CD1-CD1 3.88Å; L111-L115 HydrophobicContact CD1-CG 4.02Å; L111-L115 HydrophobicContact CG-CD1 4Å; L111-L115 HydrophobicContact CG-CG 4.48Å; L111-L115 WeakPolarHBondContact O-CG 3.41Å; L111-L115 PolarHBondContact O-N 3.24Å
112H85.4Confident82.7Confident87 Ų8774.1 Ų74.140%0.40339%0.392SS..Hα-helixtrans-59.7-46.3177.3-73.8-67.1000111.7K108 N109 L114 L115 D116K108-H112 PolarHBondContact O-CD2 3.1Å; K108-H112 PolarHBondContact O-N 3.46Å; N109-H112 PolarHBondContact O-N 3.27Å; H112-L114 PolarHBondContact O-N 2.97Å; H112-L115 PolarHBondContact O-N 2.8Å; H112-L115 VanDerWaalsContact O-N 3.09Å; H112-D116 WeakPolarHBondContact O-CB 3.17Å; H112-D116 VanDerWaalsContact O-CG 3.28Å; H112-D116 PolarHBondContact O-N 2.94Å
113N87.9Confident81.1Confident88 Ų8866.7 Ų66.747%0.47136%0.358SS..Hα-helixtrans-58.9-32176.4-72.5-21.2000113.4N109 L111 K117N109-N113 WeakPolarHBondContact O-CB 3.39Å; N109-N113 PolarHBondContact O-N 2.86Å; N109-N113 PolarHBondContact O-ND2 3.01Å; L111-N113 PolarHBondContact O-N 2.81Å; N113-K117 WeakPolarHBondContact O-CE 3.29Å
114L85.3Confident79.4Confident7 Ų766.7 Ų66.74%0.03737%0.366CS..Hα-helixtrans-73.5-45.5174.9-179.165000110.9V26 W82 E110 L111 H112 D116 K117 L120V26-L114 HydrophobicContact CG2-CD2 3.94Å; W82-L114 HydrophobicContact CB-CD1 3.82Å; W82-L114 HydrophobicContact CE3-CD2 4.21Å; E110-L114 WeakPolarHBondContact O-CB 3.48Å; E110-L114 PolarHBondContact O-N 3.27Å; E110-L114 VanDerWaalsContact O-N 3.1Å; L111-L114 WeakPolarHBondContact O-CB 3.33Å; L111-L114 PolarHBondContact O-N 3.37Å; L111-L114 VanDerWaalsContact O-N 3.14Å; H112-L114 PolarHBondContact O-N 2.97Å; L114-D116 VanDerWaalsContact C-N 3.3Å; L114-D116 PolarHBondContact O-N 3.34Å; L114-K117 VanDerWaalsContact O-CB 3.28Å; L114-K117 WeakPolarHBondContact O-CB 3.31Å; L114-K117 WeakPolarHBondContact O-CG 3.43Å; L114-K117 PolarHBondContact O-N 3.26Å; L114-L120 HydrophobicContact CD1-CD1 3.64Å; L114-L120 HydrophobicContact CG-CD1 3.84Å; L114-L120 WeakPolarHBondContact O-CD1 3.12Å
115L82.3Confident77.6Confident32 Ų3269.7 Ų69.717%0.16838%0.379CS..Hα-helixtrans-68.9-29.2-178.6-64.3175.7000112.7L111 H112 K117 E125 V127L111-L115 HydrophobicContact CD1-CD1 3.88Å; L111-L115 HydrophobicContact CD1-CG 4.02Å; L111-L115 HydrophobicContact CG-CD1 4Å; L111-L115 HydrophobicContact CG-CG 4.48Å; L111-L115 WeakPolarHBondContact O-CG 3.41Å; L111-L115 PolarHBondContact O-N 3.24Å; H112-L115 PolarHBondContact O-N 2.8Å; H112-L115 VanDerWaalsContact O-N 3.09Å; L115-K117 PolarHBondContact O-N 2.67Å; L115-K117 VanDerWaalsContact O-N 3.09Å; L115-E125 HydrophobicContact CD2-CG 4.27Å; L115-V127 HydrophobicContact CD1-CG2 4.09Å
116D84.9Confident75.4Confident119 Ų11968.1 Ų68.164%0.63638%0.38SS*.THydrogen-bonded Turntrans-68.1-5.8174.8-71.8-18.3000113.4H112 L114 P118H112-D116 WeakPolarHBondContact O-CB 3.17Å; H112-D116 VanDerWaalsContact O-CG 3.28Å; H112-D116 PolarHBondContact O-N 2.94Å; L114-D116 VanDerWaalsContact C-N 3.3Å; L114-D116 PolarHBondContact O-N 3.34Å; D116-P118 WeakPolarHBondContact O-CD 3.48Å
117K82.8Confident73Confident78 Ų7869.5 Ų69.534%0.33938%0.383SS..  trans-70.8123.1178.6-61.7-56.9-1751740110.7E83 N113 L114 L115 Q119 L120E83-K117 HydrophobicContact CB-CG 4.35Å; E83-K117 HydrophobicContact CG-CB 4.14Å; E83-K117 HydrophobicContact CG-CD 4.4Å; E83-K117 HydrophobicContact CG-CG 3.99Å; E83-K117 WeakPolarHBondContact OE2-CD 3.33Å; E83-K117 WeakPolarHBondContact OE2-CE 3.39Å; E83-K117 IonicContact OE2-NZ 3.59Å; N113-K117 WeakPolarHBondContact O-CE 3.29Å; L114-K117 VanDerWaalsContact O-CB 3.28Å; L114-K117 WeakPolarHBondContact O-CB 3.31Å; L114-K117 WeakPolarHBondContact O-CG 3.43Å; L114-K117 PolarHBondContact O-N 3.26Å; L115-K117 PolarHBondContact O-N 2.67Å; L115-K117 VanDerWaalsContact O-N 3.09Å; K117-Q119 PolarHBondContact O-N 3.1Å; K117-L120 HydrophobicContact CB-CD1 4.31Å; K117-L120 HydrophobicContact CB-CG 4.21Å; K117-L120 PolarHBondContact O-N 2.68Å
118P80.4Confident70.6Confident90 Ų9071.4 Ų71.458%0.58440%0.396SS*.G310 helixtrans-55.6-29.6-179.6-26.634.1000113.8D116 L120 Q121D116-P118 WeakPolarHBondContact O-CD 3.48Å; P118-L120 PolarHBondContact O-N 3.01Å; P118-Q121 WeakPolarHBondContact O-CB 3.39Å; P118-Q121 PolarHBondContact O-N 2.91Å
119Q74.9Confident67.7Low94 Ų9474.1 Ų74.144%0.43941%0.41SS..G310 helixtrans-70.4-15-179.4-65.3163.139.200113.8E83 K117E83-Q119 PolarHBondContact OE1-NE2 3.2Å; E83-Q119 PolarHBondContact OE1-OE1 3.45Å; K117-Q119 PolarHBondContact O-N 3.1Å
120L71.4Confident65Low5 Ų576.8 Ų76.83%0.02643%0.431CS..G310 helixtrans-104.7-1.7-179.5-56.6-174.9000112.5C86 I92 L114 K117 P118 G122 I123C86-L120 HydrophobicContact CB-CD1 3.8Å; C86-L120 HydrophobicContact CB-CD2 3.47Å; C86-L120 VanDerWaalsContact CB-CD2 3.47Å; C86-L120 HydrophobicContact CB-CG 4.34Å; C86-L120 WeakPolarHBondContact O-CD2 2.94Å; I92-L120 HydrophobicContact CD1-CD1 4.12Å; L114-L120 HydrophobicContact CD1-CD1 3.64Å; L114-L120 HydrophobicContact CG-CD1 3.84Å; L114-L120 WeakPolarHBondContact O-CD1 3.12Å; K117-L120 HydrophobicContact CB-CD1 4.31Å; K117-L120 HydrophobicContact CB-CG 4.21Å; K117-L120 PolarHBondContact O-N 2.68Å; P118-L120 PolarHBondContact O-N 3.01Å; L120-G122 PolarHBondContact O-N 3Å; L120-I123 HydrophobicContact CB-CD1 4.26Å; L120-I123 HydrophobicContact CD2-CD1 3.64Å; L120-I123 PolarHBondContact O-N 3.28Å
121Q64.4Low62Low149 Ų14977 Ų7770%0.69645%0.445SS*.THydrogen-bonded Turntrans-60121.7173.5-67.9-178.1-7.500110.1P118P118-Q121 WeakPolarHBondContact O-CB 3.39Å; P118-Q121 PolarHBondContact O-N 2.91Å
122G54.5Low59Low78 Ų7882 Ų8280%0.80448%0.479SS*.THydrogen-bonded Turntrans98.2-4.318000000115.5L120L120-G122 PolarHBondContact O-N 3Å
123I57.3Low56.3Low25 Ų2588.2 Ų88.213%0.12850%0.499CS..SBendtrans-74.6128.3163.4-59.6175.4000106.9C86 V89 I92 L120 E125C86-I123 WeakPolarHBondContact O-CD1 3.32Å; V89-I123 HydrophobicContact CG2-CD1 4.41Å; I92-I123 HydrophobicContact CD1-CD1 4.19Å; I92-I123 HydrophobicContact CD1-CG2 4.38Å; I92-I123 HydrophobicContact CG1-CG2 4.4Å; L120-I123 HydrophobicContact CB-CD1 4.26Å; L120-I123 HydrophobicContact CD2-CD1 3.64Å; L120-I123 PolarHBondContact O-N 3.28Å; I123-E125 PolarHBondContact O-N 3.36Å
124P50.6Low53.6Low83 Ų8391 Ų9154%0.53951%0.514SS..  trans-54.9109.8179.2-24.332.5000111.4S126P124-S126 PolarHBondContact O-N 3.2Å
125E47.4Very low51.1Low122 Ų12296.5 Ų96.557%0.5754%0.543SS*.  trans-76.692.2177.8-60.2-174.9-139.800108.8L115 I123 V127L115-E125 HydrophobicContact CD2-CG 4.27Å; I123-E125 PolarHBondContact O-N 3.36Å; E125-V127 HydrophobicContact CB-CG2 4.39Å; E125-V127 PolarHBondContact O-N 3.38Å
126S42.9Very low48.8Very low72 Ų7297.1 Ų97.150%0.50355%0.546SS..  trans-81.474.9171.1-51.30000109.1P124P124-S126 PolarHBondContact O-N 3.2Å
127V37.6Very low46.4Very low79 Ų7994.3 Ų94.348%0.47953%0.531SS..  trans-91.6109.2173.2178.60000108.7L115 E125L115-V127 HydrophobicContact CD1-CG2 4.09Å; E125-V127 HydrophobicContact CB-CG2 4.39Å; E125-V127 PolarHBondContact O-N 3.38Å
128C37.3Very low44.2Very low42 Ų4291.4 Ų91.428%0.28452%0.519SS..  trans-102.6109.5178.1-171.20000111.2D134C128-D134 PolarHBondContact SG-O 3.28Å
129H27.1Very low41.8Very low155 Ų15592.4 Ų92.472%0.71852%0.515SS*.  trans-84.1158.5165.6-91.4-59.1000111.2G131H129-G131 PolarHBondContact O-N 2.62Å
130P31.4Very low39.4Very low132 Ų13291.2 Ų91.286%0.85751%0.512SS*.SBendtrans-77.394.2-164.731.4-33.3000111.7
131G26.9Very low37.2Very low48 Ų4896.5 Ų96.550%0.49554%0.54SS..  trans-122.6160.9162.200000110.6H129 R133H129-G131 PolarHBondContact O-N 2.62Å; G131-R133 PolarHBondContact O-N 3.44Å
132P27.1Very low35.5Very low137 Ų13796.4 Ų96.489%0.8954%0.539SS*.SBendtrans-72.44-161.6-17.231.1000116.8
133R28.6Very low34.3Very low218 Ų218104.6 Ų104.682%0.82355%0.546SS*.SBendtrans-146.2122.7-176.1-59.6-175.4-172.2-166.81.8109.2G131G131-R133 PolarHBondContact O-N 3.44Å
134D31.3Very low32.9Very low147 Ų147113.8 Ų113.879%0.78659%0.585SS**  trans85.3102.2164.5-46.3-35.9000116.7C128C128-D134 PolarHBondContact SG-O 3.28Å
135L32.1Very low31.8Very low122 Ų122113.5 Ų113.564%0.63960%0.596SS**  trans-115.4129.6-166.9-161.898.8000110.9L137L135-L137 WeakPolarHBondContact CD2-O 3.45Å
136L34.3Very low30.8Very low44 Ų44116.7 Ų116.723%0.2361%0.611CS.*  trans-142.654.7149.6-142.1101.1000112.6L8 W11 F12L8-L136 HydrophobicContact CD1-CD1 4.03Å; W11-L136 HydrophobicContact CD2-CD1 4.03Å; W11-L136 HydrophobicContact CE3-CD1 3.67Å; W11-L136 HydrophobicContact CH2-CB 4.12Å; W11-L136 HydrophobicContact CH2-CD1 3.56Å; W11-L136 HydrophobicContact CH2-CD2 3.6Å; W11-L136 HydrophobicContact CH2-CG 3.92Å; W11-L136 HydrophobicContact CZ2-CB 4.36Å; W11-L136 HydrophobicContact CZ2-CD1 3.87Å; W11-L136 HydrophobicContact CZ2-CG 4.46Å; W11-L136 HydrophobicContact CZ3-CD1 3.43Å; W11-L136 VanDerWaalsContact CZ3-CD1 3.43Å; W11-L136 HydrophobicContact CZ3-CD2 3.57Å; W11-L136 HydrophobicContact CZ3-CG 4.04Å; F12-L136 HydrophobicContact CZ-CD2 4.24Å
137L34.5Very low30.3Very low60 Ų60125.9 Ų125.931%0.31465%0.646SS.*SBendtrans-90.8117.1141.2-141.2104.2000104.3V96 L135 H139V96-L137 HydrophobicContact CB-CD2 4.21Å; V96-L137 HydrophobicContact CG2-CD2 4.31Å; L135-L137 WeakPolarHBondContact CD2-O 3.45Å; L137-H139 PolarHBondContact O-N 3.04Å
138L36.3Very low29.9Very low17 Ų17128.2 Ų128.29%0.08965%0.654CS.*  trans-71.580.9-178.9-100.4161000110.1L8 F36 V93 M95 L140L8-L138 HydrophobicContact CD2-CD2 4.5Å; F36-L138 HydrophobicContact CD2-CD1 4.37Å; F36-L138 HydrophobicContact CD2-CD2 4.23Å; F36-L138 HydrophobicContact CE1-CD1 4.06Å; F36-L138 HydrophobicContact CE2-CD1 3.59Å; F36-L138 HydrophobicContact CE2-CD2 3.56Å; F36-L138 HydrophobicContact CE2-CG 4.2Å; F36-L138 HydrophobicContact CZ-CD1 3.4Å; F36-L138 HydrophobicContact CZ-CD2 4.21Å; F36-L138 HydrophobicContact CZ-CG 4.46Å; V93-L138 HydrophobicContact CG1-CD1 3.55Å; M95-L138 HydrophobicContact CE-CB 3.98Å; L138-L140 HydrophobicContact CD2-CB 4.36Å; L138-L140 HydrophobicContact CD2-CD1 3.31Å; L138-L140 HydrophobicContact CD2-CG 3.51Å; L138-L140 PolarHBondContact O-N 3.16Å
139H28.6Very low29.5Very low111 Ų111132.7 Ų132.751%0.51467%0.674SS.*  trans-76.838.6173.5-140103.9000112A98 L137 L141A98-H139 WeakPolarHBondContact CB-CE1 3.31Å; A98-H139 WeakPolarHBondContact CB-NE2 3.18Å; L137-H139 PolarHBondContact O-N 3.04Å; H139-L141 PolarHBondContact O-N 3.44Å; H139-L141 VanDerWaalsContact O-N 3.1Å
140L25.9Very low29.6Very low69 Ų69131.5 Ų131.536%0.36167%0.671SS.*  trans-85.288.5-178.8-67.2-174000111.3L4 F36 L138L4-L140 HydrophobicContact CD1-CD1 4.49Å; L4-L140 HydrophobicContact CD1-CD2 4.09Å; L4-L140 HydrophobicContact CD2-CD1 3.6Å; L4-L140 HydrophobicContact CD2-CD2 3.41Å; L4-L140 VanDerWaalsContact CD2-CD2 3.41Å; L4-L140 HydrophobicContact CD2-CG 4.08Å; L4-L140 HydrophobicContact CG-CD1 4.04Å; L4-L140 HydrophobicContact CG-CD2 4.21Å; F36-L140 HydrophobicContact CD2-CD1 4.19Å; F36-L140 HydrophobicContact CE2-CD1 4Å; L138-L140 HydrophobicContact CD2-CB 4.36Å; L138-L140 HydrophobicContact CD2-CD1 3.31Å; L138-L140 HydrophobicContact CD2-CG 3.51Å; L138-L140 PolarHBondContact O-N 3.16Å
141L25.2Very low29.5Very low117 Ų117131.5 Ų131.561%0.61366%0.66SS**  trans147.189.1130.2-77.5168.6000110.2H139H139-L141 PolarHBondContact O-N 3.44Å; H139-L141 VanDerWaalsContact O-N 3.1Å
142Q28.9Very low29.7Very low147 Ų147136.7 Ų136.769%0.68767%0.671SS**  trans-145.8100.9146.1-124.8-179.8-900110.3
143R28.5Very low29.9Very low250 Ų250136.7 Ų136.794%0.94366%0.656SS**  trans174.698.7137.4-99.3-175.8-179.6-1621.1111.6
144K28.9Very low30Very low218 Ų218130.9 Ų130.995%0.94864%0.644SS**SBendtrans-165.5120.6140.1-89-161.8178.4-171.80104.7
145G26.3Very low29.9Very low76 Ų76129.6 Ų129.678%0.78463%0.633SS**  cis-169.6130.2-8.100000105.6
146Q27.1Very low29.7Very low189 Ų189130.3 Ų130.388%0.88363%0.633SS**  trans-104101.1152.7-82.8-167.8-14.700105.5
147H31.7Very low29.3Very low265 Ų265138.1 Ų138.1100%1.22767%0.669SS**  trans176.20139.1-88.6-59.5000107

Retrieved 147 of 147 residues in 70 ms (Link to these results)

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