A0A077Z4P8_TRITR Loading...

PH domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4P8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 113 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
1M73.1Confident87.6Confident107 Ų10752.9 Ų52.953%0.52728%0.278SS..  0149.60-116.573.4-174.100109.6V22 N24M1-V22 WeakPolarHBondContact CB-O 3.4Å; M1-V22 HydrophobicContact CG-CG1 4.48Å; M1-V22 WeakPolarHBondContact CG-O 3.34Å; M1-N24 HydrophobicContact CE-CB 4.39Å; M1-N24 PolarHBondContact SD-OD1 3.45Å
2L86.7Confident86.9Confident38 Ų3865.3 Ų65.320%0.19933%0.327CS..  trans-93.9135-167.4-172.165.9000112.2V22 K92 W93 V96L2-V22 PolarHBondContact O-N 2.66Å; L2-K92 HydrophobicContact CD2-CB 4.41Å; L2-W93 VanDerWaalsContact CD2-CA 3.45Å; L2-W93 HydrophobicContact CD2-CB 4.07Å; L2-W93 HydrophobicContact CD2-CD2 3.32Å; L2-W93 HydrophobicContact CD2-CE3 3.72Å; L2-W93 HydrophobicContact CD2-CG 3.51Å; L2-W93 HydrophobicContact CD2-CZ2 4.22Å; L2-W93 HydrophobicContact CD2-CZ3 4.31Å; L2-W93 HydrophobicContact CG-CD2 4.01Å; L2-W93 HydrophobicContact CG-CE3 4.33Å; L2-W93 HydrophobicContact CG-CH2 4.28Å; L2-W93 HydrophobicContact CG-CZ2 3.95Å; L2-W93 HydrophobicContact CG-CZ3 4.46Å; L2-V96 HydrophobicContact CB-CB 4.42Å; L2-V96 HydrophobicContact CB-CG1 4.08Å; L2-V96 HydrophobicContact CB-CG2 4.22Å; L2-V96 HydrophobicContact CD2-CB 4.2Å; L2-V96 HydrophobicContact CD2-CG2 4.15Å
3E89.3Confident86.8Confident102 Ų10272 Ų7248%0.47735%0.353SS..EExtended strand (participates in β ladder)trans-146147.5179.166.2-174.158.800111.7Y19 F20 R21E3-Y19 HydrophobicContact CB-CE1 4.41Å; E3-Y19 WeakPolarHBondContact CB-OH 2.89Å; E3-Y19 VanDerWaalsContact CG-OH 3.24Å; E3-Y19 WeakPolarHBondContact CG-OH 3.42Å; E3-Y19 PolarHBondContact OE2-OH 3.41Å; E3-F20 CarbonylContact C-O 3.43Å; E3-F20 WeakPolarHBondContact CA-O 3.35Å; E3-R21 HydrophobicContact CB-CB 3.98Å; E3-R21 HydrophobicContact CB-CG 3.96Å; E3-R21 IonicContact OE1-NE 3.6Å
4G90.5Very high86.8Confident17 Ų1772.4 Ų72.418%0.17537%0.374CS..EExtended strand (participates in β ladder)trans168.5168.6-177.200000114.4F20G4-F20 PolarHBondContact N-O 3.5Å; G4-F20 PolarHBondContact O-N 3.45Å
5Y90.8Very high87Confident70 Ų7072.7 Ų72.728%0.27537%0.368SS..EExtended strand (participates in β ladder)trans-82.8123.3175.5-70.9-90000110.5K17 A18 Y19Y5-K17 HydrophobicContact CD1-CG 4.44Å; Y5-A18 WeakPolarHBondContact CA-O 3Å; Y5-Y19 HydrophobicContact CD1-CD2 4.26Å; Y5-Y19 AromaticContact CD2-CD2 3.71Å; Y5-Y19 HydrophobicContact CD2-CD2 3.71Å; Y5-Y19 HydrophobicContact CD2-CE2 4.37Å; Y5-Y19 HydrophobicContact CE1-CD2 4.16Å; Y5-Y19 HydrophobicContact CE1-CG 4.42Å; Y5-Y19 AromaticContact CE2-CD2 3.56Å; Y5-Y19 HydrophobicContact CE2-CD2 3.56Å; Y5-Y19 HydrophobicContact CE2-CE2 4.16Å; Y5-Y19 HydrophobicContact CG-CD2 4.06Å; Y5-Y19 AromaticContact CZ-CD2 3.79Å
6L92.4Very high87.2Confident3 Ų372.6 Ų72.62%0.01637%0.373CS..EExtended strand (participates in β ladder)trans-121.1150.4173.8-56.4175.7000109.9A18 F20 F71 F82 C84 W93L6-A18 PolarHBondContact N-O 3.01Å; L6-A18 PolarHBondContact O-N 3.22Å; L6-A18 VanDerWaalsContact O-O 3.08Å; L6-F20 HydrophobicContact CB-CD2 3.68Å; L6-F20 HydrophobicContact CB-CE2 4.03Å; L6-F20 HydrophobicContact CD1-CB 4.17Å; L6-F20 HydrophobicContact CD1-CD2 3.99Å; L6-F20 HydrophobicContact CD1-CG 4.2Å; L6-F20 HydrophobicContact CG-CD2 4.06Å; L6-F71 HydrophobicContact CD1-CZ 4.34Å; L6-F82 HydrophobicContact CD1-CD1 4.06Å; L6-C84 HydrophobicContact CD2-CB 4.24Å; L6-C84 VanDerWaalsContact CD2-SG 3.54Å; L6-W93 HydrophobicContact CD1-CD2 3.81Å; L6-W93 HydrophobicContact CD1-CE3 4.04Å; L6-W93 HydrophobicContact CD1-CG 4.4Å; L6-W93 HydrophobicContact CD1-CH2 4.08Å; L6-W93 HydrophobicContact CD1-CZ2 3.85Å; L6-W93 HydrophobicContact CD1-CZ3 4.16Å; L6-W93 HydrophobicContact CD2-CZ2 4.43Å; L6-W93 HydrophobicContact CG-CZ2 4.14Å
7L92Very high87.4Confident60 Ų6074.6 Ų74.631%0.31438%0.378SS..EExtended strand (participates in β ladder)trans-82.4127161.2-70.7170.8000107W15 K17 F82 R83L7-W15 HydrophobicContact CB-CE3 3.86Å; L7-W15 HydrophobicContact CB-CZ3 4.35Å; L7-W15 WeakPolarHBondContact O-CZ3 3.12Å; L7-K17 HydrophobicContact CD2-CB 3.81Å; L7-K17 HydrophobicContact CD2-CG 4.35Å; L7-F82 CarbonylContact O-C 3.51Å; L7-F82 WeakPolarHBondContact O-CA 3.45Å; L7-R83 HydrophobicContact CB-CB 4.06Å; L7-R83 PolarHBondContact N-O 2.79Å; L7-R83 VanDerWaalsContact N-O 3.09Å; L7-R83 PolarHBondContact O-N 2.84Å
8F91.5Very high87.6Confident19 Ų1970.7 Ų70.78%0.08336%0.359CS..EExtended strand (participates in β ladder)trans-129.2152.9174.686.5-77000110.8T16 A18 F20 F81 F82F8-T16 WeakPolarHBondContact CD1-O 3.32Å; F8-T16 HydrophobicContact CE1-CG2 4.1Å; F8-T16 PolarHBondContact N-O 3.22Å; F8-T16 PolarHBondContact O-N 3.25Å; F8-A18 HydrophobicContact CD1-CB 3.8Å; F8-A18 HydrophobicContact CE1-CB 3.64Å; F8-F20 HydrophobicContact CB-CE2 3.92Å; F8-F20 HydrophobicContact CB-CZ 3.74Å; F8-F20 AromaticContact CD1-CE2 3.67Å; F8-F20 HydrophobicContact CD1-CE2 3.67Å; F8-F20 AromaticContact CD1-CZ 3.5Å; F8-F20 HydrophobicContact CD1-CZ 3.5Å; F8-F20 HydrophobicContact CD2-CZ 4.24Å; F8-F20 HydrophobicContact CE1-CZ 4.22Å; F8-F20 AromaticContact CG-CE2 3.97Å; F8-F20 HydrophobicContact CG-CE2 3.97Å; F8-F20 AromaticContact CG-CZ 3.53Å; F8-F20 HydrophobicContact CG-CZ 3.53Å; F8-F81 CarbonylContact C-O 3.57Å; F8-F81 WeakPolarHBondContact CA-O 3.45Å; F8-F82 HydrophobicContact CB-CD1 3.78Å; F8-F82 HydrophobicContact CB-CE1 3.87Å; F8-F82 HydrophobicContact CB-CG 4.44Å
9R89.8Confident87.7Confident54 Ų5468.3 Ų68.320%0.20435%0.345CS..EExtended strand (participates in β ladder)trans-144.4150.2167.664.6171.3-162.5-179.25.9111K13 W15 Y80 F81R9-K13 WeakPolarHBondContact CB-O 3.46Å; R9-W15 HydrophobicContact CB-CD2 4.25Å; R9-W15 HydrophobicContact CB-CE3 4.21Å; R9-W15 HydrophobicContact CG-CD2 3.89Å; R9-W15 HydrophobicContact CG-CE3 3.94Å; R9-W15 HydrophobicContact CG-CH2 4.21Å; R9-W15 HydrophobicContact CG-CZ2 4.14Å; R9-W15 HydrophobicContact CG-CZ3 4.1Å; R9-Y80 CarbonylContact O-C 3.56Å; R9-Y80 WeakPolarHBondContact O-CA 3.22Å; R9-F81 HydrophobicContact CG-CB 3.75Å; R9-F81 HydrophobicContact CG-CD2 4.18Å; R9-F81 HydrophobicContact CG-CG 4.28Å; R9-F81 PolarHBondContact N-O 3.07Å; R9-F81 PolarHBondContact O-N 2.84Å
10S87.6Confident87.9Confident38 Ų3865.2 Ų65.227%0.26633%0.329SS..EExtended strand (participates in β ladder)trans-84.1156.7160.8-58.60000109.2K12 K13 Y80S10-K12 PolarHBondContact O-N 2.87Å; S10-K13 PolarHBondContact O-N 2.98Å; S10-Y80 WeakPolarHBondContact OG-CD1 3.22Å; S10-Y80 WeakPolarHBondContact OG-CE1 3.31Å
11S80.2Confident88Confident74 Ų7467.3 Ų67.352%0.51733%0.333SS..THydrogen-bonded Turntrans-37.9-37.3-177.3173.20000116.2T79S11-T79 PolarHBondContact N-O 3.12Å
12K78.9Confident88.9Confident201 Ų20162.2 Ų62.287%0.87431%0.308SS*.THydrogen-bonded Turntrans-113.118.9-178.8-57.5-175.7-179.2178.20115S10S10-K12 PolarHBondContact O-N 2.87Å
13K85.2Confident88.8Confident153 Ų15361.9 Ų61.967%0.66531%0.306SS*.SBendtrans-119.1156.3-175.4-67.4-74.3-176.4167.70110.9R9 S10R9-K13 WeakPolarHBondContact CB-O 3.46Å; S10-K13 PolarHBondContact O-N 2.98Å
14A87.3Confident88.6Confident78 Ų7861.8 Ų61.865%0.64531%0.309SS*.  trans-67.9153.5171.800000111.1T16A14-T16 PolarHBondContact O-N 3.03Å; A14-T16 PolarHBondContact O-OG1 3.12Å
15W89.5Confident88.4Confident76 Ų7666 Ų6629%0.28833%0.328SS..  trans-58.4125.3169.7-70.9104.2000110.1L7 R9 E62 V70 F81 R83L7-W15 HydrophobicContact CB-CE3 3.86Å; L7-W15 HydrophobicContact CB-CZ3 4.35Å; L7-W15 WeakPolarHBondContact O-CZ3 3.12Å; R9-W15 HydrophobicContact CB-CD2 4.25Å; R9-W15 HydrophobicContact CB-CE3 4.21Å; R9-W15 HydrophobicContact CG-CD2 3.89Å; R9-W15 HydrophobicContact CG-CE3 3.94Å; R9-W15 HydrophobicContact CG-CH2 4.21Å; R9-W15 HydrophobicContact CG-CZ2 4.14Å; R9-W15 HydrophobicContact CG-CZ3 4.1Å; W15-E62 WeakPolarHBondContact CZ2-OE2 3.2Å; W15-V70 HydrophobicContact CH2-CG1 4.14Å; W15-F81 HydrophobicContact CH2-CB 3.72Å; W15-F81 HydrophobicContact CZ2-CB 4.34Å; W15-F81 HydrophobicContact CZ3-CB 4.22Å; W15-R83 HydrophobicContact CE3-CB 4.38Å; W15-R83 HydrophobicContact CH2-CB 3.84Å; W15-R83 HydrophobicContact CZ3-CB 3.65Å
16T90.4Very high88.4Confident72 Ų7264.1 Ų64.144%0.44232%0.321SS..EExtended strand (participates in β ladder)trans-123.5130178.8-54.60000108.5F8 A14F8-T16 WeakPolarHBondContact CD1-O 3.32Å; F8-T16 HydrophobicContact CE1-CG2 4.1Å; F8-T16 PolarHBondContact N-O 3.22Å; F8-T16 PolarHBondContact O-N 3.25Å; A14-T16 PolarHBondContact O-N 3.03Å; A14-T16 PolarHBondContact O-OG1 3.12Å
17K90.2Very high88.3Confident107 Ų10765.2 Ų65.247%0.46533%0.328SS..EExtended strand (participates in β ladder)trans-75.8130.3171.7-167.2173.3179.6176.70109.1Y5 L7 N33Y5-K17 HydrophobicContact CD1-CG 4.44Å; L7-K17 HydrophobicContact CD2-CB 3.81Å; L7-K17 HydrophobicContact CD2-CG 4.35Å; K17-N33 WeakPolarHBondContact CD-OD1 3.13Å; K17-N33 WeakPolarHBondContact O-CB 3.33Å
18A90.6Very high88.3Confident3 Ų362.6 Ų62.63%0.02531%0.314CS..EExtended strand (participates in β ladder)trans-147.2157.617500000109.8Y5 L6 F8 F20 R30 H31Y5-A18 WeakPolarHBondContact CA-O 3Å; L6-A18 PolarHBondContact N-O 3.01Å; L6-A18 PolarHBondContact O-N 3.22Å; L6-A18 VanDerWaalsContact O-O 3.08Å; F8-A18 HydrophobicContact CD1-CB 3.8Å; F8-A18 HydrophobicContact CE1-CB 3.64Å; A18-F20 HydrophobicContact CB-CD2 4.39Å; A18-F20 HydrophobicContact CB-CE2 3.76Å; A18-F20 HydrophobicContact CB-CZ 4.24Å; A18-F20 WeakPolarHBondContact O-CD2 3.42Å; A18-R30 HydrophobicContact CB-CG 3.78Å; A18-H31 WeakPolarHBondContact CB-O 3.24Å
19Y90Very high88.3Confident26 Ų2664.1 Ų64.110%0.10232%0.32CS..EExtended strand (participates in β ladder)trans-91.1127.5175-178.3-94000109.3E3 Y5 R21 R30 H31 L38E3-Y19 HydrophobicContact CB-CE1 4.41Å; E3-Y19 WeakPolarHBondContact CB-OH 2.89Å; E3-Y19 VanDerWaalsContact CG-OH 3.24Å; E3-Y19 WeakPolarHBondContact CG-OH 3.42Å; E3-Y19 PolarHBondContact OE2-OH 3.41Å; Y5-Y19 HydrophobicContact CD1-CD2 4.26Å; Y5-Y19 AromaticContact CD2-CD2 3.71Å; Y5-Y19 HydrophobicContact CD2-CD2 3.71Å; Y5-Y19 HydrophobicContact CD2-CE2 4.37Å; Y5-Y19 HydrophobicContact CE1-CD2 4.16Å; Y5-Y19 HydrophobicContact CE1-CG 4.42Å; Y5-Y19 AromaticContact CE2-CD2 3.56Å; Y5-Y19 HydrophobicContact CE2-CD2 3.56Å; Y5-Y19 HydrophobicContact CE2-CE2 4.16Å; Y5-Y19 HydrophobicContact CG-CD2 4.06Å; Y5-Y19 AromaticContact CZ-CD2 3.79Å; Y19-R21 HydrophobicContact CE1-CB 4.24Å; Y19-R30 CarbonylContact O-C 3.53Å; Y19-R30 WeakPolarHBondContact O-CA 3.32Å; Y19-H31 HydrophobicContact CD1-CB 4.26Å; Y19-H31 AromaticContact CD1-CD2 4Å; Y19-H31 PolarHBondContact N-O 2.88Å; Y19-H31 VanDerWaalsContact N-O 3.1Å; Y19-H31 PolarHBondContact O-N 3.45Å; Y19-L38 HydrophobicContact CD1-CD2 4.21Å; Y19-L38 HydrophobicContact CE1-CD2 4.3Å; Y19-L38 HydrophobicContact CG-CD2 4.43Å
20F92.3Very high88.3Confident6 Ų664.4 Ų64.43%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-114.7141.6-178.1-74.6-86000110.2E3 G4 L6 F8 A18 L28 Y29 R30 F82 W93E3-F20 CarbonylContact C-O 3.43Å; E3-F20 WeakPolarHBondContact CA-O 3.35Å; G4-F20 PolarHBondContact N-O 3.5Å; G4-F20 PolarHBondContact O-N 3.45Å; L6-F20 HydrophobicContact CB-CD2 3.68Å; L6-F20 HydrophobicContact CB-CE2 4.03Å; L6-F20 HydrophobicContact CD1-CB 4.17Å; L6-F20 HydrophobicContact CD1-CD2 3.99Å; L6-F20 HydrophobicContact CD1-CG 4.2Å; L6-F20 HydrophobicContact CG-CD2 4.06Å; F8-F20 HydrophobicContact CB-CE2 3.92Å; F8-F20 HydrophobicContact CB-CZ 3.74Å; F8-F20 AromaticContact CD1-CE2 3.67Å; F8-F20 HydrophobicContact CD1-CE2 3.67Å; F8-F20 AromaticContact CD1-CZ 3.5Å; F8-F20 HydrophobicContact CD1-CZ 3.5Å; F8-F20 HydrophobicContact CD2-CZ 4.24Å; F8-F20 HydrophobicContact CE1-CZ 4.22Å; F8-F20 AromaticContact CG-CE2 3.97Å; F8-F20 HydrophobicContact CG-CE2 3.97Å; F8-F20 AromaticContact CG-CZ 3.53Å; F8-F20 HydrophobicContact CG-CZ 3.53Å; A18-F20 HydrophobicContact CB-CD2 4.39Å; A18-F20 HydrophobicContact CB-CE2 3.76Å; A18-F20 HydrophobicContact CB-CZ 4.24Å; A18-F20 WeakPolarHBondContact O-CD2 3.42Å; F20-L28 HydrophobicContact CB-CD1 4.02Å; F20-L28 HydrophobicContact CD1-CD1 3.84Å; F20-L28 HydrophobicContact CD1-CD2 3.93Å; F20-L28 HydrophobicContact CD1-CG 3.85Å; F20-L28 HydrophobicContact CE1-CD2 4.25Å; F20-L28 HydrophobicContact CG-CD1 4.38Å; F20-Y29 CarbonylContact C-O 3.56Å; F20-Y29 VanDerWaalsContact CA-O 3.26Å; F20-Y29 WeakPolarHBondContact CA-O 3.39Å; F20-R30 HydrophobicContact CD1-CB 4.05Å; F20-R30 HydrophobicContact CD1-CG 4.23Å; F20-R30 HydrophobicContact CE1-CB 3.67Å; F20-R30 HydrophobicContact CE1-CG 3.61Å; F20-R30 HydrophobicContact CE2-CG 4.34Å; F20-R30 HydrophobicContact CZ-CB 4.27Å; F20-R30 HydrophobicContact CZ-CG 3.68Å; F20-F82 HydrophobicContact CD1-CE1 4.14Å; F20-F82 AromaticContact CE1-CE1 3.58Å; F20-F82 HydrophobicContact CE1-CE1 3.58Å; F20-F82 HydrophobicContact CE1-CZ 4.35Å; F20-F82 HydrophobicContact CE2-CD1 4.38Å; F20-F82 HydrophobicContact CE2-CE1 4.13Å; F20-F82 HydrophobicContact CZ-CD1 4.24Å; F20-F82 AromaticContact CZ-CE1 3.57Å; F20-F82 HydrophobicContact CZ-CE1 3.57Å; F20-W93 HydrophobicContact CB-CH2 3.61Å; F20-W93 HydrophobicContact CB-CZ2 4.35Å; F20-W93 HydrophobicContact CB-CZ3 4.14Å
21R90.4Very high88.3Confident110 Ų11063.9 Ų63.942%0.41531%0.314SS..EExtended strand (participates in β ladder)trans-141.5128.2176.5177.4174-178-154.7-3.5109.8E3 Y19 N23 Y29E3-R21 HydrophobicContact CB-CB 3.98Å; E3-R21 HydrophobicContact CB-CG 3.96Å; E3-R21 IonicContact OE1-NE 3.6Å; Y19-R21 HydrophobicContact CE1-CB 4.24Å; R21-N23 WeakPolarHBondContact CG-OD1 3.34Å; R21-N23 PolarHBondContact NE-OD1 2.82Å; R21-N23 VanDerWaalsContact NE-OD1 3.12Å; R21-Y29 PolarHBondContact N-O 3.15Å; R21-Y29 PolarHBondContact O-N 3.12Å
22V90.8Very high88.3Confident0 Ų061.9 Ų61.90%030%0.302CS..EExtended strand (participates in β ladder)trans-95126.2170.4-177.50000107.7M1 L2 L28 L49 W93 V96 L97 A100M1-V22 WeakPolarHBondContact CB-O 3.4Å; M1-V22 HydrophobicContact CG-CG1 4.48Å; M1-V22 WeakPolarHBondContact CG-O 3.34Å; L2-V22 PolarHBondContact O-N 2.66Å; V22-L28 HydrophobicContact CG2-CD1 3.72Å; V22-L49 HydrophobicContact CG1-CD1 3.89Å; V22-L49 HydrophobicContact CG2-CD1 4.32Å; V22-W93 HydrophobicContact CG2-CZ3 3.84Å; V22-V96 HydrophobicContact CB-CG1 4.32Å; V22-V96 HydrophobicContact CG1-CG1 4.16Å; V22-V96 HydrophobicContact CG2-CG1 4.37Å; V22-L97 HydrophobicContact CG2-CD2 3.9Å; V22-A100 HydrophobicContact CG1-CB 4.43Å
23N85.8Confident87.9Confident30 Ų3056.1 Ų56.116%0.1628%0.281CS..  trans-100.6169.8172.4-72.4-2.9000111.8R21 D25 F26 V27 Y29R21-N23 WeakPolarHBondContact CG-OD1 3.34Å; R21-N23 PolarHBondContact NE-OD1 2.82Å; R21-N23 VanDerWaalsContact NE-OD1 3.12Å; N23-D25 PolarHBondContact O-N 2.8Å; N23-D25 VanDerWaalsContact O-N 3.12Å; N23-F26 PolarHBondContact O-N 2.85Å; N23-V27 PolarHBondContact N-O 3.27Å; N23-Y29 HydrophobicContact CB-CD2 4.32Å; N23-Y29 HydrophobicContact CB-CE2 3.84Å; N23-Y29 WeakPolarHBondContact ND2-CE2 3.49Å
24N84.7Confident86.7Confident101 Ų10153.3 Ų53.354%0.5427%0.273SS..THydrogen-bonded Turntrans-58.1-17.4172.1-6876.7000113.9M1 F26M1-N24 HydrophobicContact CE-CB 4.39Å; M1-N24 PolarHBondContact SD-OD1 3.45Å; N24-F26 PolarHBondContact O-N 2.87Å
25D87Confident85.1Confident106 Ų10657.6 Ų57.657%0.56728%0.277SS*.THydrogen-bonded Turntrans-75.63.8172.9-48.2-82.9000113.7N23 V27N23-D25 PolarHBondContact O-N 2.8Å; N23-D25 VanDerWaalsContact O-N 3.12Å; D25-V27 HydrophobicContact CB-CG2 4.14Å; D25-V27 PolarHBondContact O-N 2.75Å
26F89.5Confident83.2Confident29 Ų2961.1 Ų61.113%0.12730%0.296CS..SBendtrans57.730.4-173.3-46-69.7000113.4N23 N24 L49 P50 A100 A103 I105N23-F26 PolarHBondContact O-N 2.85Å; N24-F26 PolarHBondContact O-N 2.87Å; F26-L49 WeakPolarHBondContact O-CB 3.18Å; F26-L49 WeakPolarHBondContact O-CG 3.45Å; F26-L49 PolarHBondContact O-N 3.1Å; F26-P50 HydrophobicContact CB-CG 4.06Å; F26-P50 WeakPolarHBondContact O-CD 3.37Å; F26-A100 HydrophobicContact CB-CB 4.26Å; F26-A100 HydrophobicContact CD1-CB 3.78Å; F26-A103 HydrophobicContact CD2-CB 3.9Å; F26-A103 HydrophobicContact CE2-CB 3.74Å; F26-A103 HydrophobicContact CG-CB 4.38Å; F26-A103 HydrophobicContact CZ-CB 4.07Å; F26-A103 WeakPolarHBondContact CZ-O 3.45Å; F26-I105 HydrophobicContact CE1-CG1 3.99Å; F26-I105 HydrophobicContact CE2-CG1 4.18Å; F26-I105 HydrophobicContact CZ-CB 4.33Å; F26-I105 HydrophobicContact CZ-CD1 4.32Å; F26-I105 HydrophobicContact CZ-CG1 3.33Å
27V91.4Very high81.4Confident26 Ų2658.8 Ų58.816%0.15828%0.282CS..EExtended strand (participates in β ladder)trans-109.4128.7177179.80000109N23 D25 Y29 C46N23-V27 PolarHBondContact N-O 3.27Å; D25-V27 HydrophobicContact CB-CG2 4.14Å; D25-V27 PolarHBondContact O-N 2.75Å; V27-Y29 HydrophobicContact CB-CD2 4.36Å; V27-Y29 HydrophobicContact CB-CE2 3.66Å; V27-Y29 HydrophobicContact CG1-CD1 4.19Å; V27-Y29 HydrophobicContact CG1-CD2 4.15Å; V27-Y29 HydrophobicContact CG1-CE1 3.78Å; V27-Y29 HydrophobicContact CG1-CE2 3.7Å; V27-Y29 HydrophobicContact CG1-CG 4.39Å; V27-Y29 WeakPolarHBondContact O-CD2 3.23Å; V27-C46 HydrophobicContact CG1-CB 3.67Å
28L91.5Very high79.6Confident5 Ų558.1 Ų58.13%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-87.3111.617017968.9000109.2F20 V22 C46 L47 L49 I73 F82 W93 L97F20-L28 HydrophobicContact CB-CD1 4.02Å; F20-L28 HydrophobicContact CD1-CD1 3.84Å; F20-L28 HydrophobicContact CD1-CD2 3.93Å; F20-L28 HydrophobicContact CD1-CG 3.85Å; F20-L28 HydrophobicContact CE1-CD2 4.25Å; F20-L28 HydrophobicContact CG-CD1 4.38Å; V22-L28 HydrophobicContact CG2-CD1 3.72Å; L28-C46 CarbonylContact O-C 3.54Å; L28-C46 WeakPolarHBondContact O-CA 3.42Å; L28-L47 HydrophobicContact CB-CB 4.33Å; L28-L47 HydrophobicContact CD2-CD2 4.42Å; L28-L47 PolarHBondContact N-O 2.91Å; L28-L47 PolarHBondContact O-N 2.63Å; L28-L49 HydrophobicContact CB-CD1 4.19Å; L28-L49 HydrophobicContact CB-CD2 3.82Å; L28-L49 HydrophobicContact CB-CG 4.07Å; L28-L49 HydrophobicContact CD2-CD2 4.47Å; L28-I73 HydrophobicContact CD2-CD1 4.27Å; L28-F82 HydrophobicContact CD2-CE1 4.26Å; L28-F82 HydrophobicContact CD2-CZ 4.14Å; L28-W93 HydrophobicContact CD1-CZ3 3.9Å; L28-L97 HydrophobicContact CD1-CD2 4.4Å; L28-L97 HydrophobicContact CD2-CD2 4.48Å
29Y91.3Very high77.8Confident51 Ų5165.8 Ų65.820%0.232%0.318CS..EExtended strand (participates in β ladder)trans-92.4135176.2-64.9-79.4000110.5F20 R21 N23 V27 P43 C46F20-Y29 CarbonylContact C-O 3.56Å; F20-Y29 VanDerWaalsContact CA-O 3.26Å; F20-Y29 WeakPolarHBondContact CA-O 3.39Å; R21-Y29 PolarHBondContact N-O 3.15Å; R21-Y29 PolarHBondContact O-N 3.12Å; N23-Y29 HydrophobicContact CB-CD2 4.32Å; N23-Y29 HydrophobicContact CB-CE2 3.84Å; N23-Y29 WeakPolarHBondContact ND2-CE2 3.49Å; V27-Y29 HydrophobicContact CB-CD2 4.36Å; V27-Y29 HydrophobicContact CB-CE2 3.66Å; V27-Y29 HydrophobicContact CG1-CD1 4.19Å; V27-Y29 HydrophobicContact CG1-CD2 4.15Å; V27-Y29 HydrophobicContact CG1-CE1 3.78Å; V27-Y29 HydrophobicContact CG1-CE2 3.7Å; V27-Y29 HydrophobicContact CG1-CG 4.39Å; V27-Y29 WeakPolarHBondContact O-CD2 3.23Å; Y29-P43 HydrophobicContact CD1-CB 3.73Å; Y29-P43 HydrophobicContact CD1-CG 3.61Å; Y29-P43 HydrophobicContact CE1-CG 4.13Å; Y29-P43 HydrophobicContact CG-CB 4.4Å; Y29-C46 HydrophobicContact CD1-CB 3.96Å; Y29-C46 HydrophobicContact CE1-CB 3.95Å
30R89.7Confident76.2Confident60 Ų6070.1 Ų70.123%0.22634%0.34CS..EExtended strand (participates in β ladder)trans-115.8119.3176.5-175.8-174.367.5-169.1-0.9109.7A18 Y19 F20 P43 R44 A45A18-R30 HydrophobicContact CB-CG 3.78Å; Y19-R30 CarbonylContact O-C 3.53Å; Y19-R30 WeakPolarHBondContact O-CA 3.32Å; F20-R30 HydrophobicContact CD1-CB 4.05Å; F20-R30 HydrophobicContact CD1-CG 4.23Å; F20-R30 HydrophobicContact CE1-CB 3.67Å; F20-R30 HydrophobicContact CE1-CG 3.61Å; F20-R30 HydrophobicContact CE2-CG 4.34Å; F20-R30 HydrophobicContact CZ-CB 4.27Å; F20-R30 HydrophobicContact CZ-CG 3.68Å; R30-P43 CarbonylContact O-C 3.59Å; R30-R44 WeakPolarHBondContact O-CA 3.17Å; R30-R44 WeakPolarHBondContact O-CB 3.38Å; R30-R44 PolarHBondContact O-N 2.68Å; R30-A45 HydrophobicContact CB-CB 4.35Å; R30-A45 PolarHBondContact N-O 3.19Å; R30-A45 VanDerWaalsContact NH2-CB 3.33Å; R30-A45 PolarHBondContact O-N 2.94Å
31H87.5Confident74.9Confident27 Ų2779 Ų7913%0.12538%0.378CS..EExtended strand (participates in β ladder)trans-104.4153.1173.4-59-98.9000110.2A18 Y19A18-H31 WeakPolarHBondContact CB-O 3.24Å; Y19-H31 HydrophobicContact CD1-CB 4.26Å; Y19-H31 AromaticContact CD1-CD2 4Å; Y19-H31 PolarHBondContact N-O 2.88Å; Y19-H31 VanDerWaalsContact N-O 3.1Å; Y19-H31 PolarHBondContact O-N 3.45Å
32A81Confident74.2Confident32 Ų3278.5 Ų78.526%0.26439%0.388SS..  trans-65.5156.8177.100000111D34A32-D34 PolarHBondContact O-N 3.21Å; A32-D34 VanDerWaalsContact O-N 3.1Å
33N70.1Confident73.7Confident81 Ų8181 Ų8143%0.43340%0.404SS..SBendtrans-61.4-16.2-179.4-17547.5000113.8K17 K35K17-N33 WeakPolarHBondContact CD-OD1 3.13Å; K17-N33 WeakPolarHBondContact O-CB 3.33Å; N33-K35 PolarHBondContact O-N 3.2Å
34D60.3Low73.6Confident93 Ų9388.5 Ų88.550%0.49743%0.43SS..  trans-69.8112-171.2-152-70.8000109.1A32 H36 T37A32-D34 PolarHBondContact O-N 3.21Å; A32-D34 VanDerWaalsContact O-N 3.1Å; D34-H36 PolarHBondContact O-N 2.9Å; D34-H36 WeakPolarHBondContact OD1-CB 3.35Å; D34-H36 PolarHBondContact OD1-N 2.79Å; D34-T37 HydrophobicContact CB-CG2 3.95Å; D34-T37 WeakPolarHBondContact O-CA 2.93Å; D34-T37 WeakPolarHBondContact O-CB 3.44Å; D34-T37 PolarHBondContact O-N 3.32Å; D34-T37 PolarHBondContact O-OG1 3.05Å
35K52.4Low73.8Confident169 Ų16985.3 Ų85.374%0.73542%0.418SS*.G310 helixtrans-56.4-24.1177.7-72.6-175.7173.5-173.80111.4N33 T37N33-K35 PolarHBondContact O-N 3.2Å; K35-T37 VanDerWaalsContact C-N 3.34Å
36H51.4Low73.9Confident149 Ų14984.3 Ų84.369%0.6942%0.418SS*.G310 helixtrans-72.8-25.4174.3-117.3-83.1000112.6D34 L38D34-H36 PolarHBondContact O-N 2.9Å; D34-H36 WeakPolarHBondContact OD1-CB 3.35Å; D34-H36 PolarHBondContact OD1-N 2.79Å; H36-L38 VanDerWaalsContact C-N 3.34Å; H36-L38 PolarHBondContact O-N 2.78Å
37T52.1Low74Confident23 Ų2384.1 Ų84.114%0.14142%0.418CS..G310 helixtrans-81.31175.956.90000115.2D34 K35 Q39 E40D34-T37 HydrophobicContact CB-CG2 3.95Å; D34-T37 WeakPolarHBondContact O-CA 2.93Å; D34-T37 WeakPolarHBondContact O-CB 3.44Å; D34-T37 PolarHBondContact O-N 3.32Å; D34-T37 PolarHBondContact O-OG1 3.05Å; K35-T37 VanDerWaalsContact C-N 3.34Å; T37-Q39 PolarHBondContact O-N 3.13Å; T37-E40 HydrophobicContact CG2-CB 4.34Å; T37-E40 HydrophobicContact CG2-CG 4.16Å; T37-E40 WeakPolarHBondContact CG2-OE2 3.37Å; T37-E40 CarbonylContact O-C 3.47Å; T37-E40 WeakPolarHBondContact O-CA 3.44Å; T37-E40 WeakPolarHBondContact O-CB 3.5Å; T37-E40 PolarHBondContact O-N 3.43Å
38L52.3Low74Confident94 Ų9486 Ų8649%0.49243%0.431SS..G310 helixtrans-63.6-18.7165.4-70.9172.5000111.9Y19 H36Y19-L38 HydrophobicContact CD1-CD2 4.21Å; Y19-L38 HydrophobicContact CE1-CD2 4.3Å; Y19-L38 HydrophobicContact CG-CD2 4.43Å; H36-L38 VanDerWaalsContact C-N 3.34Å; H36-L38 PolarHBondContact O-N 2.78Å
39Q53.2Low73.9Confident163 Ų16385.8 Ų85.876%0.76243%0.429SS*.SBendtrans-78.6-26.4166.2-86.5164.768.400113.2T37 K41T37-Q39 PolarHBondContact O-N 3.13Å; Q39-K41 VanDerWaalsContact C-N 3.33Å; Q39-K41 PolarHBondContact O-N 3.26Å
40E56.5Low73.9Confident117 Ų11786.2 Ų86.255%0.54744%0.439SS..  trans-75.590.6168.6-66.7-164.188.700108.5T37 T42T37-E40 HydrophobicContact CG2-CB 4.34Å; T37-E40 HydrophobicContact CG2-CG 4.16Å; T37-E40 WeakPolarHBondContact CG2-OE2 3.37Å; T37-E40 CarbonylContact O-C 3.47Å; T37-E40 WeakPolarHBondContact O-CA 3.44Å; T37-E40 WeakPolarHBondContact O-CB 3.5Å; T37-E40 PolarHBondContact O-N 3.43Å; E40-T42 PolarHBondContact O-N 3.21Å
41K63.1Low73.9Confident193 Ų19386.5 Ų86.584%0.83946%0.46SS*.  trans-55.3-9.2177.3-67.9-175.5-179.1-179.10114Q39 P43Q39-K41 VanDerWaalsContact C-N 3.33Å; Q39-K41 PolarHBondContact O-N 3.26Å; K41-P43 WeakPolarHBondContact O-CD 3.42Å
42T77.4Confident74.2Confident100 Ų10085.6 Ų85.661%0.61346%0.456SS*.  trans-84.6113.2-176.949.60000111.6E40E40-T42 PolarHBondContact O-N 3.21Å
43P78.7Confident74.7Confident51 Ų5192.6 Ų92.633%0.33148%0.476SS..  trans-64.7137.517328.7-34.9000110.3Y29 R30 K41 A45Y29-P43 HydrophobicContact CD1-CB 3.73Å; Y29-P43 HydrophobicContact CD1-CG 3.61Å; Y29-P43 HydrophobicContact CE1-CG 4.13Å; Y29-P43 HydrophobicContact CG-CB 4.4Å; R30-P43 CarbonylContact O-C 3.59Å; K41-P43 WeakPolarHBondContact O-CD 3.42Å; P43-A45 VanDerWaalsContact C-N 3.26Å; P43-A45 PolarHBondContact O-N 3.1Å
44R85.1Confident75.8Confident189 Ų18989.8 Ų89.871%0.71346%0.461SS*.SBendtrans-70-25.9175.1-171.7170.3-178.2154.52.1112.4R30R30-R44 WeakPolarHBondContact O-CA 3.17Å; R30-R44 WeakPolarHBondContact O-CB 3.38Å; R30-R44 PolarHBondContact O-N 2.68Å
45A88.1Confident77.2Confident34 Ų3487.9 Ų87.928%0.28146%0.455SS..EExtended strand (participates in β ladder)trans-155.2152.8168.800000110.4R30 P43R30-A45 HydrophobicContact CB-CB 4.35Å; R30-A45 PolarHBondContact N-O 3.19Å; R30-A45 VanDerWaalsContact NH2-CB 3.33Å; R30-A45 PolarHBondContact O-N 2.94Å; P43-A45 VanDerWaalsContact C-N 3.26Å; P43-A45 PolarHBondContact O-N 3.1Å
46C89.9Confident79Confident85 Ų8585 Ų8557%0.57445%0.447SS*.EExtended strand (participates in β ladder)trans-119.8142.3167.849.20000108.8V27 L28 Y29V27-C46 HydrophobicContact CG1-CB 3.67Å; L28-C46 CarbonylContact O-C 3.54Å; L28-C46 WeakPolarHBondContact O-CA 3.42Å; Y29-C46 HydrophobicContact CD1-CB 3.96Å; Y29-C46 HydrophobicContact CE1-CB 3.95Å
47L90.2Very high80.5Confident25 Ų2579 Ų7913%0.13142%0.421CS..EExtended strand (participates in β ladder)trans-127114.6174.5179.370.7000108.2L28 L49 I73 H75L28-L47 HydrophobicContact CB-CB 4.33Å; L28-L47 HydrophobicContact CD2-CD2 4.42Å; L28-L47 PolarHBondContact N-O 2.91Å; L28-L47 PolarHBondContact O-N 2.63Å; L47-L49 PolarHBondContact O-N 2.76Å; L47-I73 HydrophobicContact CD2-CG2 4.34Å; L47-H75 HydrophobicContact CD1-CB 4.33Å
48P91.4Very high81.7Confident65 Ų6583.2 Ų83.242%0.42244%0.443SS..EExtended strand (participates in β ladder)trans-63.5123.9168.927.2-32.8000108.4V52P48-V52 WeakPolarHBondContact O-CG1 3.49Å
49L91Very high82.1Confident0 Ų084.1 Ų84.10%045%0.453CS..  trans-76.5-29.8177.1-60.9171.6000113.3V22 F26 L28 L47 G51 V52 L97 A100 S101V22-L49 HydrophobicContact CG1-CD1 3.89Å; V22-L49 HydrophobicContact CG2-CD1 4.32Å; F26-L49 WeakPolarHBondContact O-CB 3.18Å; F26-L49 WeakPolarHBondContact O-CG 3.45Å; F26-L49 PolarHBondContact O-N 3.1Å; L28-L49 HydrophobicContact CB-CD1 4.19Å; L28-L49 HydrophobicContact CB-CD2 3.82Å; L28-L49 HydrophobicContact CB-CG 4.07Å; L28-L49 HydrophobicContact CD2-CD2 4.47Å; L47-L49 PolarHBondContact O-N 2.76Å; L49-G51 PolarHBondContact O-N 3.01Å; L49-G51 VanDerWaalsContact O-N 3.15Å; L49-V52 HydrophobicContact CD2-CG2 4.3Å; L49-V52 WeakPolarHBondContact O-CG1 3.23Å; L49-V52 WeakPolarHBondContact O-CG2 3.25Å; L49-V52 PolarHBondContact O-N 2.81Å; L49-L97 HydrophobicContact CD1-CD2 3.62Å; L49-L97 HydrophobicContact CD2-CD2 3.61Å; L49-L97 HydrophobicContact CG-CD2 4.28Å; L49-A100 HydrophobicContact CB-CB 4.08Å; L49-A100 HydrophobicContact CD1-CB 3.46Å; L49-A100 VanDerWaalsContact CD1-CB 3.46Å; L49-A100 HydrophobicContact CG-CB 4.41Å; L49-S101 VanDerWaalsContact O-CA 3.29Å; L49-S101 WeakPolarHBondContact O-CA 3.29Å; L49-S101 WeakPolarHBondContact O-CB 3.07Å
50P90.9Very high82.3Confident61 Ų6188.1 Ų88.140%0.39646%0.461SS..THydrogen-bonded Turntrans-53.8124178.8-30.737.2000112.9F26 V52 S101 A103F26-P50 HydrophobicContact CB-CG 4.06Å; F26-P50 WeakPolarHBondContact O-CD 3.37Å; P50-V52 VanDerWaalsContact C-N 3.35Å; P50-S101 WeakPolarHBondContact CA-O 3.26Å; P50-A103 HydrophobicContact CG-CB 4.38Å
51G90Very high82.3Confident66 Ų6688.1 Ų88.168%0.6846%0.461SS*.THydrogen-bonded Turntrans79.16.5179.800000116L49 S101L49-G51 PolarHBondContact O-N 3.01Å; L49-G51 VanDerWaalsContact O-N 3.15Å; G51-S101 PolarHBondContact N-O 3.04Å; G51-S101 VanDerWaalsContact N-O 3.12Å
52V92.4Very high81.8Confident7 Ų781 Ų814%0.04243%0.43CS..  trans-76.9154166.2-49.80000110.4P48 L49 P50 I54 I73 E74 H75P48-V52 WeakPolarHBondContact O-CG1 3.49Å; L49-V52 HydrophobicContact CD2-CG2 4.3Å; L49-V52 WeakPolarHBondContact O-CG1 3.23Å; L49-V52 WeakPolarHBondContact O-CG2 3.25Å; L49-V52 PolarHBondContact O-N 2.81Å; P50-V52 VanDerWaalsContact C-N 3.35Å; V52-I54 HydrophobicContact CG2-CD1 3.61Å; V52-I54 HydrophobicContact CG2-CG1 4.3Å; V52-I73 HydrophobicContact CB-CG2 3.7Å; V52-I73 HydrophobicContact CG1-CG2 4.21Å; V52-I73 HydrophobicContact CG2-CG2 3.69Å; V52-E74 WeakPolarHBondContact CA-O 3.09Å; V52-H75 HydrophobicContact CB-CB 4.44Å; V52-H75 HydrophobicContact CG1-CB 3.81Å
53R91.8Very high80.5Confident180 Ų18082.4 Ų82.468%0.67944%0.444SS*.EExtended strand (participates in β ladder)trans-103.8129.6171.9-60.8178.7173.1-176.8-3.8109.5I73 E74R53-I73 CarbonylContact O-C 3.51Å; R53-I73 VanDerWaalsContact O-CA 3.31Å; R53-I73 WeakPolarHBondContact O-CA 3.17Å; R53-E74 HydrophobicContact CB-CB 4.23Å; R53-E74 PolarHBondContact N-O 2.79Å; R53-E74 PolarHBondContact O-N 3.48Å
54I92.8Very high79.1Confident21 Ų2182.7 Ų82.711%0.10846%0.456CS..EExtended strand (participates in β ladder)trans-107.7127.2175.8-57.185.8000107.5V52 F71 V72 I73 M94 L97V52-I54 HydrophobicContact CG2-CD1 3.61Å; V52-I54 HydrophobicContact CG2-CG1 4.3Å; I54-F71 HydrophobicContact CG2-CD2 4.32Å; I54-V72 WeakPolarHBondContact CA-O 3.31Å; I54-I73 HydrophobicContact CG1-CG1 4.44Å; I54-M94 HydrophobicContact CG2-CB 4.3Å; I54-M94 HydrophobicContact CG2-CE 4.25Å; I54-M94 HydrophobicContact CG2-CG 3.98Å; I54-L97 HydrophobicContact CD1-CB 4.39Å; I54-L97 HydrophobicContact CG1-CB 3.98Å
55S91.4Very high77.4Confident54 Ų5482.8 Ų82.838%0.37846%0.462SS..EExtended strand (participates in β ladder)trans-152161.3-178.3-66.50000110.7V72S55-V72 PolarHBondContact N-O 3.42Å; S55-V72 WeakPolarHBondContact O-CA 3.33Å; S55-V72 PolarHBondContact O-N 3.43Å
56L88.8Confident75.8Confident107 Ų10784.2 Ų84.256%0.5647%0.474SS*.PPolyproline II helixtrans-74.5147.2169.9-66.6174.2000109.5M94L56-M94 HydrophobicContact CD2-CE 3.98Å; L56-M94 HydrophobicContact CD2-SD 3.73Å; L56-M94 HydrophobicContact CG-CE 4.12Å
57P84.3Confident74.9Confident24 Ų2482.2 Ų82.216%0.15646%0.458CS..PPolyproline II helixtrans-62.7141.4173.128.6-35.2000110T59 V70 V72 F81P57-T59 PolarHBondContact O-N 3.06Å; P57-V70 WeakPolarHBondContact CD-O 3.43Å; P57-V70 HydrophobicContact CG-CB 4.07Å; P57-V70 HydrophobicContact CG-CG1 3.82Å; P57-V72 HydrophobicContact CB-CG2 3.74Å; P57-V72 HydrophobicContact CG-CG2 4.45Å; P57-F81 HydrophobicContact CB-CD1 4.46Å; P57-F81 HydrophobicContact CB-CE1 4.32Å
58D75.9Confident74.4Confident112 Ų11283.7 Ų83.760%0.59947%0.469SS*.PPolyproline II helixtrans-56.5126.7168.8-68.4-81.3000109.9R60 Q61D58-R60 PolarHBondContact O-N 3.03Å; D58-Q61 HydrophobicContact CB-CG 4.5Å; D58-Q61 PolarHBondContact O-N 3.1Å
59T62.3Low74.3Confident113 Ų11381.9 Ų81.969%0.69346%0.457SS*.THydrogen-bonded Turntrans-47.4-23.1175.1-69.70000113.4P57P57-T59 PolarHBondContact O-N 3.06Å
60R57.4Low74.3Confident246 Ų24681.9 Ų81.993%0.92846%0.457SS*.THydrogen-bonded Turntrans-75.1-21.9178.5-67.8-173.5176.3167.1-0.1114.6D58D58-R60 PolarHBondContact O-N 3.03Å
61Q54.5Low74.3Confident118 Ų11879 Ų7955%0.55144%0.438SS*.SBendtrans-88.6-16.2-172.9-71.6-154.976.900114.3D58D58-Q61 HydrophobicContact CB-CG 4.5Å; D58-Q61 PolarHBondContact O-N 3.1Å
62E52.8Low74.5Confident42 Ų4276.3 Ų76.320%0.19641%0.409CS..SBendtrans-125.3115-179.6-148.116269.400109.7W15 G64 N67W15-E62 WeakPolarHBondContact CZ2-OE2 3.2Å; E62-G64 PolarHBondContact O-N 2.8Å; E62-N67 PolarHBondContact OE1-ND2 2.91Å
63S51.4Low74.5Confident130 Ų13076 Ų7691%0.90941%0.407SS*.SBendtrans-55.5103.3-177.7-59.50000111.3
64G48Very low74.5Confident57 Ų5771.2 Ų71.259%0.58839%0.392SS*.SBendtrans85.3126.816400000114.7E62E62-G64 PolarHBondContact O-N 2.8Å
65K50.3Low74.4Confident192 Ų19271.8 Ų71.884%0.83539%0.394SS*.SBendtrans65.5118177.8-139.2163.9-172.21720111.9N67K65-N67 VanDerWaalsContact C-N 3.32Å; K65-N67 PolarHBondContact O-N 3.44Å
66A55Low74.1Confident63 Ų6378.4 Ų78.452%0.52142%0.416SS..  trans-47.4101.9168.600000107.8C68A66-C68 PolarHBondContact O-N 2.62Å
67N69.8Low73.9Confident44 Ų4481 Ų8124%0.23543%0.431CS..  trans-76.379.8-179.7-77.3-52.1000105.5E62 K65 T69 V70E62-N67 PolarHBondContact OE1-ND2 2.91Å; K65-N67 VanDerWaalsContact C-N 3.32Å; K65-N67 PolarHBondContact O-N 3.44Å; N67-T69 PolarHBondContact O-N 3.38Å; N67-V70 HydrophobicContact CB-CB 4.15Å; N67-V70 HydrophobicContact CB-CG2 3.65Å; N67-V70 WeakPolarHBondContact O-CB 3.21Å; N67-V70 PolarHBondContact O-N 2.85Å
68C79.9Confident74.1Confident55 Ų5588 Ų8837%0.37245%0.454SS..THydrogen-bonded Turntrans-60.1-1.4173.9-59.60000112.5A66 Q87A66-C68 PolarHBondContact O-N 2.62Å; C68-Q87 HydrophobicContact CB-CB 4.27Å; C68-Q87 HydrophobicContact CB-CG 3.91Å; C68-Q87 WeakPolarHBondContact O-CA 3.37Å
69T88.9Confident74.8Confident28 Ų2884.7 Ų84.717%0.17244%0.438CS..THydrogen-bonded Turntrans-94.82.5171.758.30000113.1N67 R83 C84 T90N67-T69 PolarHBondContact O-N 3.38Å; T69-R83 CarbonylContact O-C 3.52Å; T69-R83 VanDerWaalsContact O-CA 3.27Å; T69-R83 WeakPolarHBondContact O-CA 3.41Å; T69-C84 PolarHBondContact O-N 2.82Å; T69-T90 VanDerWaalsContact C-OG1 3.25Å; T69-T90 WeakPolarHBondContact CA-OG1 3.27Å; T69-T90 PolarHBondContact O-OG1 2.85Å
70V90.8Very high76.2Confident0 Ų080.8 Ų80.80%041%0.411CS..EExtended strand (participates in β ladder)trans-120.7134.9-176.5-178.30000110W15 P57 N67 F82 R83W15-V70 HydrophobicContact CH2-CG1 4.14Å; P57-V70 WeakPolarHBondContact CD-O 3.43Å; P57-V70 HydrophobicContact CG-CB 4.07Å; P57-V70 HydrophobicContact CG-CG1 3.82Å; N67-V70 HydrophobicContact CB-CB 4.15Å; N67-V70 HydrophobicContact CB-CG2 3.65Å; N67-V70 WeakPolarHBondContact O-CB 3.21Å; N67-V70 PolarHBondContact O-N 2.85Å; V70-F82 CarbonylContact C-O 3.49Å; V70-F82 WeakPolarHBondContact CA-O 3.47Å; V70-F82 WeakPolarHBondContact CG1-O 3.43Å; V70-R83 HydrophobicContact CG2-CB 3.86Å; V70-R83 HydrophobicContact CG2-CG 3.74Å
71F92.5Very high77.8Confident1 Ų169.3 Ų69.30%0.00437%0.367CS..EExtended strand (participates in β ladder)trans-132.3161.6171.367.7-86.5000110.4L6 I54 I73 F82 T90 W93 M94 L97L6-F71 HydrophobicContact CD1-CZ 4.34Å; I54-F71 HydrophobicContact CG2-CD2 4.32Å; F71-I73 HydrophobicContact CD2-CG1 4.18Å; F71-I73 HydrophobicContact CE2-CD1 4.06Å; F71-I73 HydrophobicContact CE2-CG1 3.95Å; F71-F82 HydrophobicContact CD1-CB 3.84Å; F71-F82 HydrophobicContact CD2-CB 3.99Å; F71-F82 HydrophobicContact CD2-CD2 4.2Å; F71-F82 HydrophobicContact CD2-CG 4.38Å; F71-F82 HydrophobicContact CE1-CB 3.41Å; F71-F82 VanDerWaalsContact CE1-CB 3.41Å; F71-F82 HydrophobicContact CE1-CG 4.3Å; F71-F82 HydrophobicContact CE2-CB 3.55Å; F71-F82 HydrophobicContact CE2-CD1 4.47Å; F71-F82 AromaticContact CE2-CD2 3.69Å; F71-F82 HydrophobicContact CE2-CD2 3.69Å; F71-F82 AromaticContact CE2-CG 3.67Å; F71-F82 HydrophobicContact CE2-CG 3.67Å; F71-F82 HydrophobicContact CG-CB 4.14Å; F71-F82 HydrophobicContact CZ-CB 3.26Å; F71-F82 HydrophobicContact CZ-CD1 4.19Å; F71-F82 HydrophobicContact CZ-CD2 4.17Å; F71-F82 AromaticContact CZ-CG 3.64Å; F71-F82 HydrophobicContact CZ-CG 3.64Å; F71-F82 PolarHBondContact N-O 3.01Å; F71-F82 PolarHBondContact O-N 2.9Å; F71-T90 HydrophobicContact CB-CG2 4.21Å; F71-T90 HydrophobicContact CD1-CG2 3.94Å; F71-W93 HydrophobicContact CE1-CB 3.82Å; F71-W93 HydrophobicContact CE1-CG 4.35Å; F71-W93 HydrophobicContact CZ-CB 3.93Å; F71-W93 HydrophobicContact CZ-CG 4.42Å; F71-M94 HydrophobicContact CB-CG 3.75Å; F71-M94 HydrophobicContact CB-SD 3.77Å; F71-M94 HydrophobicContact CD1-CG 4.4Å; F71-M94 HydrophobicContact CD2-CG 4.34Å; F71-M94 HydrophobicContact CG-CG 3.93Å; F71-L97 HydrophobicContact CD2-CD1 4.29Å; F71-L97 HydrophobicContact CE2-CD1 3.35Å; F71-L97 HydrophobicContact CZ-CD1 3.7Å
72V92.6Very high79.7Confident9 Ų964 Ų646%0.05534%0.342CS..EExtended strand (participates in β ladder)trans-121.3135.7-175.7-179.60000109.3I54 S55 P57 E74 T79 Y80 F81I54-V72 WeakPolarHBondContact CA-O 3.31Å; S55-V72 PolarHBondContact N-O 3.42Å; S55-V72 WeakPolarHBondContact O-CA 3.33Å; S55-V72 PolarHBondContact O-N 3.43Å; P57-V72 HydrophobicContact CB-CG2 3.74Å; P57-V72 HydrophobicContact CG-CG2 4.45Å; V72-E74 HydrophobicContact CG1-CG 4.07Å; V72-T79 HydrophobicContact CG1-CG2 3.27Å; V72-Y80 CarbonylContact C-O 3.55Å; V72-Y80 VanDerWaalsContact CA-O 3.27Å; V72-Y80 WeakPolarHBondContact CA-O 3.47Å; V72-F81 HydrophobicContact CG2-CD1 3.49Å; V72-F81 VanDerWaalsContact CG2-CD1 3.49Å; V72-F81 HydrophobicContact CG2-CE1 3.65Å; V72-F81 HydrophobicContact CG2-CG 4.27Å
73I93.5Very high81.6Confident0 Ų066.8 Ų66.80%035%0.351CS..EExtended strand (participates in β ladder)trans-111.8121.3167.6-54-177.9000108.3L28 L47 V52 R53 I54 F71 Y80 F82 L97L28-I73 HydrophobicContact CD2-CD1 4.27Å; L47-I73 HydrophobicContact CD2-CG2 4.34Å; V52-I73 HydrophobicContact CB-CG2 3.7Å; V52-I73 HydrophobicContact CG1-CG2 4.21Å; V52-I73 HydrophobicContact CG2-CG2 3.69Å; R53-I73 CarbonylContact O-C 3.51Å; R53-I73 VanDerWaalsContact O-CA 3.31Å; R53-I73 WeakPolarHBondContact O-CA 3.17Å; I54-I73 HydrophobicContact CG1-CG1 4.44Å; F71-I73 HydrophobicContact CD2-CG1 4.18Å; F71-I73 HydrophobicContact CE2-CD1 4.06Å; F71-I73 HydrophobicContact CE2-CG1 3.95Å; I73-Y80 PolarHBondContact N-O 3.37Å; I73-Y80 PolarHBondContact O-N 3.08Å; I73-F82 HydrophobicContact CB-CD2 4.48Å; I73-F82 HydrophobicContact CB-CE2 3.9Å; I73-F82 HydrophobicContact CD1-CD2 4Å; I73-F82 HydrophobicContact CD1-CE2 3.41Å; I73-F82 VanDerWaalsContact CD1-CE2 3.41Å; I73-F82 HydrophobicContact CD1-CZ 3.84Å; I73-F82 HydrophobicContact CG1-CD2 3.87Å; I73-F82 HydrophobicContact CG1-CE2 3.56Å; I73-F82 HydrophobicContact CG1-CZ 4.46Å; I73-L97 HydrophobicContact CD1-CD1 3.89Å; I73-L97 HydrophobicContact CD1-CD2 4.46Å
74E92.2Very high83.5Confident80 Ų8061 Ų6137%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-103.4119.9172.2-54.8-179.194.400109.3V52 R53 V72 R78 T79V52-E74 WeakPolarHBondContact CA-O 3.09Å; R53-E74 HydrophobicContact CB-CB 4.23Å; R53-E74 PolarHBondContact N-O 2.79Å; R53-E74 PolarHBondContact O-N 3.48Å; V72-E74 HydrophobicContact CG1-CG 4.07Å; E74-R78 WeakPolarHBondContact CA-O 3.41Å; E74-T79 HydrophobicContact CG-CG2 4.27Å
75H89.8Confident85.4Confident33 Ų3362.2 Ų62.215%0.15332%0.315CS..EExtended strand (participates in β ladder)trans-126.7113.6174.8179.5-128.5000109L47 V52 N77 R78 Y80L47-H75 HydrophobicContact CD1-CB 4.33Å; V52-H75 HydrophobicContact CB-CB 4.44Å; V52-H75 HydrophobicContact CG1-CB 3.81Å; H75-N77 PolarHBondContact O-N 3.05Å; H75-N77 VanDerWaalsContact O-N 3.07Å; H75-R78 PolarHBondContact N-O 2.88Å; H75-R78 PolarHBondContact O-N 3.4Å; H75-Y80 HydrophobicContact CB-CE2 4.48Å
76K84.8Confident87.3Confident193 Ų19355.6 Ų55.684%0.83929%0.293SS*.THydrogen-bonded Turntrans58.2-106.7-176.1-57176178.7-1750111
77N85.5Confident88.9Confident162 Ų16258.5 Ų58.587%0.86630%0.296SS*.THydrogen-bonded Turntrans-115.728.7179.1-160.626000111.8H75H75-N77 PolarHBondContact O-N 3.05Å; H75-N77 VanDerWaalsContact O-N 3.07Å
78R88.6Confident90Very high170 Ų17063.3 Ų63.364%0.64232%0.317SS*.EExtended strand (participates in β ladder)trans-128.9126.9-179.9-63.6-175-178.3-1801.9110.2E74 H75 Y80E74-R78 WeakPolarHBondContact CA-O 3.41Å; H75-R78 PolarHBondContact N-O 2.88Å; H75-R78 PolarHBondContact O-N 3.4Å; R78-Y80 HydrophobicContact CB-CE2 3.74Å; R78-Y80 WeakPolarHBondContact CD-OH 3.44Å
79T90.6Very high90.6Very high42 Ų4264 Ų6426%0.25832%0.315SS..EExtended strand (participates in β ladder)trans-106.7126.3176.2-48.70000109.4S11 V72 E74 F81S11-T79 PolarHBondContact N-O 3.12Å; V72-T79 HydrophobicContact CG1-CG2 3.27Å; E74-T79 HydrophobicContact CG-CG2 4.27Å; T79-F81 HydrophobicContact CG2-CD2 4.46Å; T79-F81 HydrophobicContact CG2-CE2 3.77Å; T79-F81 HydrophobicContact CG2-CZ 3.91Å
80Y91.2Very high90.7Very high32 Ų3262.9 Ų62.913%0.12531%0.307CS..EExtended strand (participates in β ladder)trans-118.3128.2178.3-57.5-81.8000109.3R9 S10 V72 I73 H75 R78 F82R9-Y80 CarbonylContact O-C 3.56Å; R9-Y80 WeakPolarHBondContact O-CA 3.22Å; S10-Y80 WeakPolarHBondContact OG-CD1 3.22Å; S10-Y80 WeakPolarHBondContact OG-CE1 3.31Å; V72-Y80 CarbonylContact C-O 3.55Å; V72-Y80 VanDerWaalsContact CA-O 3.27Å; V72-Y80 WeakPolarHBondContact CA-O 3.47Å; I73-Y80 PolarHBondContact N-O 3.37Å; I73-Y80 PolarHBondContact O-N 3.08Å; H75-Y80 HydrophobicContact CB-CE2 4.48Å; R78-Y80 HydrophobicContact CB-CE2 3.74Å; R78-Y80 WeakPolarHBondContact CD-OH 3.44Å; Y80-F82 VanDerWaalsContact CB-CE2 3.48Å
81F92.1Very high90.8Very high5 Ų565.6 Ų65.62%0.02233%0.33CS..EExtended strand (participates in β ladder)trans-101136.1176.5-59.7-101000108.3F8 R9 W15 P57 V72 T79F8-F81 CarbonylContact C-O 3.57Å; F8-F81 WeakPolarHBondContact CA-O 3.45Å; R9-F81 HydrophobicContact CG-CB 3.75Å; R9-F81 HydrophobicContact CG-CD2 4.18Å; R9-F81 HydrophobicContact CG-CG 4.28Å; R9-F81 PolarHBondContact N-O 3.07Å; R9-F81 PolarHBondContact O-N 2.84Å; W15-F81 HydrophobicContact CH2-CB 3.72Å; W15-F81 HydrophobicContact CZ2-CB 4.34Å; W15-F81 HydrophobicContact CZ3-CB 4.22Å; P57-F81 HydrophobicContact CB-CD1 4.46Å; P57-F81 HydrophobicContact CB-CE1 4.32Å; V72-F81 HydrophobicContact CG2-CD1 3.49Å; V72-F81 VanDerWaalsContact CG2-CD1 3.49Å; V72-F81 HydrophobicContact CG2-CE1 3.65Å; V72-F81 HydrophobicContact CG2-CG 4.27Å; T79-F81 HydrophobicContact CG2-CD2 4.46Å; T79-F81 HydrophobicContact CG2-CE2 3.77Å; T79-F81 HydrophobicContact CG2-CZ 3.91Å
82F93.3Very high90.8Very high6 Ų671.4 Ų71.43%0.02636%0.356CS..EExtended strand (participates in β ladder)trans-127.3135.9179.6-67-95.9000108.8L6 L7 F8 F20 L28 V70 F71 I73 Y80L6-F82 HydrophobicContact CD1-CD1 4.06Å; L7-F82 CarbonylContact O-C 3.51Å; L7-F82 WeakPolarHBondContact O-CA 3.45Å; F8-F82 HydrophobicContact CB-CD1 3.78Å; F8-F82 HydrophobicContact CB-CE1 3.87Å; F8-F82 HydrophobicContact CB-CG 4.44Å; F20-F82 HydrophobicContact CD1-CE1 4.14Å; F20-F82 AromaticContact CE1-CE1 3.58Å; F20-F82 HydrophobicContact CE1-CE1 3.58Å; F20-F82 HydrophobicContact CE1-CZ 4.35Å; F20-F82 HydrophobicContact CE2-CD1 4.38Å; F20-F82 HydrophobicContact CE2-CE1 4.13Å; F20-F82 HydrophobicContact CZ-CD1 4.24Å; F20-F82 AromaticContact CZ-CE1 3.57Å; F20-F82 HydrophobicContact CZ-CE1 3.57Å; L28-F82 HydrophobicContact CD2-CE1 4.26Å; L28-F82 HydrophobicContact CD2-CZ 4.14Å; V70-F82 CarbonylContact C-O 3.49Å; V70-F82 WeakPolarHBondContact CA-O 3.47Å; V70-F82 WeakPolarHBondContact CG1-O 3.43Å; F71-F82 HydrophobicContact CD1-CB 3.84Å; F71-F82 HydrophobicContact CD2-CB 3.99Å; F71-F82 HydrophobicContact CD2-CD2 4.2Å; F71-F82 HydrophobicContact CD2-CG 4.38Å; F71-F82 HydrophobicContact CE1-CB 3.41Å; F71-F82 VanDerWaalsContact CE1-CB 3.41Å; F71-F82 HydrophobicContact CE1-CG 4.3Å; F71-F82 HydrophobicContact CE2-CB 3.55Å; F71-F82 HydrophobicContact CE2-CD1 4.47Å; F71-F82 AromaticContact CE2-CD2 3.69Å; F71-F82 HydrophobicContact CE2-CD2 3.69Å; F71-F82 AromaticContact CE2-CG 3.67Å; F71-F82 HydrophobicContact CE2-CG 3.67Å; F71-F82 HydrophobicContact CG-CB 4.14Å; F71-F82 HydrophobicContact CZ-CB 3.26Å; F71-F82 HydrophobicContact CZ-CD1 4.19Å; F71-F82 HydrophobicContact CZ-CD2 4.17Å; F71-F82 AromaticContact CZ-CG 3.64Å; F71-F82 HydrophobicContact CZ-CG 3.64Å; F71-F82 PolarHBondContact N-O 3.01Å; F71-F82 PolarHBondContact O-N 2.9Å; I73-F82 HydrophobicContact CB-CD2 4.48Å; I73-F82 HydrophobicContact CB-CE2 3.9Å; I73-F82 HydrophobicContact CD1-CD2 4Å; I73-F82 HydrophobicContact CD1-CE2 3.41Å; I73-F82 VanDerWaalsContact CD1-CE2 3.41Å; I73-F82 HydrophobicContact CD1-CZ 3.84Å; I73-F82 HydrophobicContact CG1-CD2 3.87Å; I73-F82 HydrophobicContact CG1-CE2 3.56Å; I73-F82 HydrophobicContact CG1-CZ 4.46Å; Y80-F82 VanDerWaalsContact CB-CE2 3.48Å
83R92Very high90.8Very high101 Ų10171.2 Ų71.238%0.38135%0.354SS..EExtended strand (participates in β ladder)trans-124.5123.5178.3-177177.7-169.9-166.45.6109.7L7 W15 T69 V70L7-R83 HydrophobicContact CB-CB 4.06Å; L7-R83 PolarHBondContact N-O 2.79Å; L7-R83 VanDerWaalsContact N-O 3.09Å; L7-R83 PolarHBondContact O-N 2.84Å; W15-R83 HydrophobicContact CE3-CB 4.38Å; W15-R83 HydrophobicContact CH2-CB 3.84Å; W15-R83 HydrophobicContact CZ3-CB 3.65Å; T69-R83 CarbonylContact O-C 3.52Å; T69-R83 VanDerWaalsContact O-CA 3.27Å; T69-R83 WeakPolarHBondContact O-CA 3.41Å; V70-R83 HydrophobicContact CG2-CB 3.86Å; V70-R83 HydrophobicContact CG2-CG 3.74Å
84C91.4Very high90.8Very high7 Ų773.4 Ų73.45%0.04736%0.364CS..  trans-92.6172.4174.2-57.90000111.1L6 T69 E89 T90L6-C84 HydrophobicContact CD2-CB 4.24Å; L6-C84 VanDerWaalsContact CD2-SG 3.54Å; T69-C84 PolarHBondContact O-N 2.82Å; C84-E89 HydrophobicContact CB-CB 3.79Å; C84-T90 WeakPolarHBondContact CB-OG1 3.38Å
85A89.2Confident90.8Very high83 Ų8372.1 Ų72.169%0.68637%0.368SS*.SBendtrans-74.3-35.5174.700000111.2E89A85-E89 WeakPolarHBondContact CA-OE2 3.26Å; A85-E89 WeakPolarHBondContact CB-OE2 3.41Å; A85-E89 PolarHBondContact N-OE2 2.94Å
86S89.9Confident90.9Very high53 Ų5372.6 Ų72.637%0.37137%0.373SS..SBendtrans-133.9161.8-176.8-61.10000113.6E88 E89 T90S86-E88 VanDerWaalsContact C-N 3.28Å; S86-E88 PolarHBondContact O-N 2.85Å; S86-E89 PolarHBondContact N-OE2 2.83Å; S86-E89 PolarHBondContact O-N 2.92Å; S86-T90 PolarHBondContact O-N 2.82Å; S86-T90 PolarHBondContact O-OG1 2.89Å
87Q89.4Confident91.2Very high124 Ų12463.4 Ų63.458%0.57933%0.333SS*.Hα-helixtrans-63.4-37.3173.7-179.5178.431.400111.1C68 E89 T90 A91C68-Q87 HydrophobicContact CB-CB 4.27Å; C68-Q87 HydrophobicContact CB-CG 3.91Å; C68-Q87 WeakPolarHBondContact O-CA 3.37Å; Q87-E89 PolarHBondContact O-N 2.96Å; Q87-T90 WeakPolarHBondContact O-CB 3.17Å; Q87-T90 PolarHBondContact O-N 3.44Å; Q87-A91 PolarHBondContact O-N 3.47Å
88E91.8Very high91.5Very high145 Ų14558.3 Ų58.368%0.67831%0.306SS*.Hα-helixtrans-61.7-42.9176.2-62.4175.486.400112S86 T90 A91 K92S86-E88 VanDerWaalsContact C-N 3.28Å; S86-E88 PolarHBondContact O-N 2.85Å; E88-T90 VanDerWaalsContact C-N 3.34Å; E88-A91 PolarHBondContact O-N 3.35Å; E88-K92 WeakPolarHBondContact O-CG 3.36Å; E88-K92 PolarHBondContact O-N 2.85Å
89E91.8Very high91.6Very high71 Ų7153.5 Ų53.533%0.33229%0.292SS..Hα-helixtrans-64.1-42.5173.3-72.4-169.411000111.2C84 A85 S86 Q87 A91 K92 W93C84-E89 HydrophobicContact CB-CB 3.79Å; A85-E89 WeakPolarHBondContact CA-OE2 3.26Å; A85-E89 WeakPolarHBondContact CB-OE2 3.41Å; A85-E89 PolarHBondContact N-OE2 2.94Å; S86-E89 PolarHBondContact N-OE2 2.83Å; S86-E89 PolarHBondContact O-N 2.92Å; Q87-E89 PolarHBondContact O-N 2.96Å; E89-A91 VanDerWaalsContact C-N 3.3Å; E89-A91 PolarHBondContact O-N 3.48Å; E89-K92 PolarHBondContact O-N 3.16Å; E89-K92 VanDerWaalsContact O-N 3.16Å; E89-W93 PolarHBondContact O-N 3.02Å
90T92.4Very high91.5Very high3 Ų351.6 Ų51.62%0.01828%0.281CS..Hα-helixtrans-57.1-46176.5-58.70000110.9T69 F71 C84 S86 Q87 E88 K92 W93 M94T69-T90 VanDerWaalsContact C-OG1 3.25Å; T69-T90 WeakPolarHBondContact CA-OG1 3.27Å; T69-T90 PolarHBondContact O-OG1 2.85Å; F71-T90 HydrophobicContact CB-CG2 4.21Å; F71-T90 HydrophobicContact CD1-CG2 3.94Å; C84-T90 WeakPolarHBondContact CB-OG1 3.38Å; S86-T90 PolarHBondContact O-N 2.82Å; S86-T90 PolarHBondContact O-OG1 2.89Å; Q87-T90 WeakPolarHBondContact O-CB 3.17Å; Q87-T90 PolarHBondContact O-N 3.44Å; E88-T90 VanDerWaalsContact C-N 3.34Å; T90-K92 PolarHBondContact O-N 3.31Å; T90-W93 PolarHBondContact O-N 3.49Å; T90-M94 HydrophobicContact CG2-CG 4.33Å; T90-M94 HydrophobicContact CG2-SD 3.86Å; T90-M94 WeakPolarHBondContact O-CB 3.44Å; T90-M94 VanDerWaalsContact O-CG 3.26Å; T90-M94 WeakPolarHBondContact O-CG 3.27Å; T90-M94 PolarHBondContact O-N 2.85Å
91A92.1Very high91.5Very high58 Ų5851 Ų5148%0.47928%0.281SS..Hα-helixtrans-61.7-43.7176.300000112.1Q87 E88 E89 M94 A95Q87-A91 PolarHBondContact O-N 3.47Å; E88-A91 PolarHBondContact O-N 3.35Å; E89-A91 VanDerWaalsContact C-N 3.3Å; E89-A91 PolarHBondContact O-N 3.48Å; A91-M94 PolarHBondContact O-N 3.21Å; A91-A95 VanDerWaalsContact O-CB 3.31Å; A91-A95 WeakPolarHBondContact O-CB 3.17Å; A91-A95 PolarHBondContact O-N 2.86Å
92K92.7Very high91.3Very high123 Ų12357.9 Ų57.954%0.53531%0.307SS..Hα-helixtrans-60.5-46.5175.1-69.7173.8-163.5176.90111.7L2 E88 E89 T90 A95 V96L2-K92 HydrophobicContact CD2-CB 4.41Å; E88-K92 WeakPolarHBondContact O-CG 3.36Å; E88-K92 PolarHBondContact O-N 2.85Å; E89-K92 PolarHBondContact O-N 3.16Å; E89-K92 VanDerWaalsContact O-N 3.16Å; T90-K92 PolarHBondContact O-N 3.31Å; K92-A95 PolarHBondContact O-N 2.85Å; K92-V96 WeakPolarHBondContact O-CG2 3.37Å; K92-V96 PolarHBondContact O-N 3.33Å
93W93.5Very high90.8Very high5 Ų559.9 Ų59.92%0.01933%0.325CS..Hα-helixtrans-61.2-50.7177.2-8499.2000111.4L2 L6 F20 V22 L28 F71 E89 T90 A95 V96 L97L2-W93 VanDerWaalsContact CD2-CA 3.45Å; L2-W93 HydrophobicContact CD2-CB 4.07Å; L2-W93 HydrophobicContact CD2-CD2 3.32Å; L2-W93 HydrophobicContact CD2-CE3 3.72Å; L2-W93 HydrophobicContact CD2-CG 3.51Å; L2-W93 HydrophobicContact CD2-CZ2 4.22Å; L2-W93 HydrophobicContact CD2-CZ3 4.31Å; L2-W93 HydrophobicContact CG-CD2 4.01Å; L2-W93 HydrophobicContact CG-CE3 4.33Å; L2-W93 HydrophobicContact CG-CH2 4.28Å; L2-W93 HydrophobicContact CG-CZ2 3.95Å; L2-W93 HydrophobicContact CG-CZ3 4.46Å; L6-W93 HydrophobicContact CD1-CD2 3.81Å; L6-W93 HydrophobicContact CD1-CE3 4.04Å; L6-W93 HydrophobicContact CD1-CG 4.4Å; L6-W93 HydrophobicContact CD1-CH2 4.08Å; L6-W93 HydrophobicContact CD1-CZ2 3.85Å; L6-W93 HydrophobicContact CD1-CZ3 4.16Å; L6-W93 HydrophobicContact CD2-CZ2 4.43Å; L6-W93 HydrophobicContact CG-CZ2 4.14Å; F20-W93 HydrophobicContact CB-CH2 3.61Å; F20-W93 HydrophobicContact CB-CZ2 4.35Å; F20-W93 HydrophobicContact CB-CZ3 4.14Å; V22-W93 HydrophobicContact CG2-CZ3 3.84Å; L28-W93 HydrophobicContact CD1-CZ3 3.9Å; F71-W93 HydrophobicContact CE1-CB 3.82Å; F71-W93 HydrophobicContact CE1-CG 4.35Å; F71-W93 HydrophobicContact CZ-CB 3.93Å; F71-W93 HydrophobicContact CZ-CG 4.42Å; E89-W93 PolarHBondContact O-N 3.02Å; T90-W93 PolarHBondContact O-N 3.49Å; W93-A95 PolarHBondContact O-N 3.39Å; W93-V96 PolarHBondContact O-N 3.4Å; W93-L97 HydrophobicContact CB-CD1 4.43Å; W93-L97 HydrophobicContact CE3-CD1 4.14Å; W93-L97 HydrophobicContact CE3-CG 4.33Å; W93-L97 VanDerWaalsContact O-CB 3.23Å; W93-L97 WeakPolarHBondContact O-CB 3.43Å; W93-L97 WeakPolarHBondContact O-CD1 3.32Å; W93-L97 WeakPolarHBondContact O-CG 3.48Å; W93-L97 PolarHBondContact O-N 2.87Å
94M92.9Very high90.1Very high45 Ų4560 Ų6022%0.22233%0.33CS..Hα-helixtrans-59.7-44.1178.5-71.1178.470.600112.2I54 L56 F71 T90 A91 L97 D98I54-M94 HydrophobicContact CG2-CB 4.3Å; I54-M94 HydrophobicContact CG2-CE 4.25Å; I54-M94 HydrophobicContact CG2-CG 3.98Å; L56-M94 HydrophobicContact CD2-CE 3.98Å; L56-M94 HydrophobicContact CD2-SD 3.73Å; L56-M94 HydrophobicContact CG-CE 4.12Å; F71-M94 HydrophobicContact CB-CG 3.75Å; F71-M94 HydrophobicContact CB-SD 3.77Å; F71-M94 HydrophobicContact CD1-CG 4.4Å; F71-M94 HydrophobicContact CD2-CG 4.34Å; F71-M94 HydrophobicContact CG-CG 3.93Å; T90-M94 HydrophobicContact CG2-CG 4.33Å; T90-M94 HydrophobicContact CG2-SD 3.86Å; T90-M94 WeakPolarHBondContact O-CB 3.44Å; T90-M94 VanDerWaalsContact O-CG 3.26Å; T90-M94 WeakPolarHBondContact O-CG 3.27Å; T90-M94 PolarHBondContact O-N 2.85Å; A91-M94 PolarHBondContact O-N 3.21Å; M94-L97 PolarHBondContact O-N 3.31Å; M94-D98 WeakPolarHBondContact O-CB 3.19Å; M94-D98 PolarHBondContact O-N 2.85Å
95A92.1Very high88.9Confident54 Ų5463.8 Ų63.845%0.44635%0.348SS..Hα-helixtrans-62.3-46.6178.900000112.2A91 K92 W93 D98 L99A91-A95 VanDerWaalsContact O-CB 3.31Å; A91-A95 WeakPolarHBondContact O-CB 3.17Å; A91-A95 PolarHBondContact O-N 2.86Å; K92-A95 PolarHBondContact O-N 2.85Å; W93-A95 PolarHBondContact O-N 3.39Å; A95-D98 PolarHBondContact O-N 2.82Å; A95-L99 WeakPolarHBondContact O-CG 3.34Å; A95-L99 PolarHBondContact O-N 2.75Å; A95-L99 VanDerWaalsContact O-N 3.08Å
96V91.3Very high87.4Confident42 Ų4264 Ų6426%0.25534%0.343SS..Hα-helixtrans-67.1-41.4178.7172.20000111.4L2 V22 K92 W93 A100L2-V96 HydrophobicContact CB-CB 4.42Å; L2-V96 HydrophobicContact CB-CG1 4.08Å; L2-V96 HydrophobicContact CB-CG2 4.22Å; L2-V96 HydrophobicContact CD2-CB 4.2Å; L2-V96 HydrophobicContact CD2-CG2 4.15Å; V22-V96 HydrophobicContact CB-CG1 4.32Å; V22-V96 HydrophobicContact CG1-CG1 4.16Å; V22-V96 HydrophobicContact CG2-CG1 4.37Å; K92-V96 WeakPolarHBondContact O-CG2 3.37Å; K92-V96 PolarHBondContact O-N 3.33Å; W93-V96 PolarHBondContact O-N 3.4Å; V96-A100 VanDerWaalsContact O-CB 3.23Å; V96-A100 WeakPolarHBondContact O-CB 3.07Å; V96-A100 PolarHBondContact O-N 2.87Å
97L92.3Very high85.8Confident1 Ų167.4 Ų67.41%0.00536%0.362CS..Hα-helixtrans-69.6-36.4178.6-67.8169.1000111.9V22 L28 L49 I54 F71 I73 W93 M94 A100 S101V22-L97 HydrophobicContact CG2-CD2 3.9Å; L28-L97 HydrophobicContact CD1-CD2 4.4Å; L28-L97 HydrophobicContact CD2-CD2 4.48Å; L49-L97 HydrophobicContact CD1-CD2 3.62Å; L49-L97 HydrophobicContact CD2-CD2 3.61Å; L49-L97 HydrophobicContact CG-CD2 4.28Å; I54-L97 HydrophobicContact CD1-CB 4.39Å; I54-L97 HydrophobicContact CG1-CB 3.98Å; F71-L97 HydrophobicContact CD2-CD1 4.29Å; F71-L97 HydrophobicContact CE2-CD1 3.35Å; F71-L97 HydrophobicContact CZ-CD1 3.7Å; I73-L97 HydrophobicContact CD1-CD1 3.89Å; I73-L97 HydrophobicContact CD1-CD2 4.46Å; W93-L97 HydrophobicContact CB-CD1 4.43Å; W93-L97 HydrophobicContact CE3-CD1 4.14Å; W93-L97 HydrophobicContact CE3-CG 4.33Å; W93-L97 VanDerWaalsContact O-CB 3.23Å; W93-L97 WeakPolarHBondContact O-CB 3.43Å; W93-L97 WeakPolarHBondContact O-CD1 3.32Å; W93-L97 WeakPolarHBondContact O-CG 3.48Å; W93-L97 PolarHBondContact O-N 2.87Å; M94-L97 PolarHBondContact O-N 3.31Å; L97-A100 PolarHBondContact O-N 2.83Å; L97-S101 VanDerWaalsContact O-CB 3.25Å; L97-S101 WeakPolarHBondContact O-CB 3.4Å; L97-S101 PolarHBondContact O-N 2.82Å
98D91.4Very high84Confident55 Ų5567.7 Ų67.729%0.29437%0.367SS..Hα-helixtrans-63.7-50.4175-172.9-92.6000110.8M94 A95 A100 S101 R102M94-D98 WeakPolarHBondContact O-CB 3.19Å; M94-D98 PolarHBondContact O-N 2.85Å; A95-D98 PolarHBondContact O-N 2.82Å; D98-A100 VanDerWaalsContact C-N 3.33Å; D98-A100 PolarHBondContact O-N 3.09Å; D98-S101 WeakPolarHBondContact O-CB 3.5Å; D98-S101 PolarHBondContact O-N 3.24Å; D98-S101 PolarHBondContact O-OG 3.32Å; D98-R102 WeakPolarHBondContact O-CG 3.47Å; D98-R102 PolarHBondContact O-N 2.98Å; D98-R102 IonicContact OD1-CZ 3.58Å; D98-R102 IonicContact OD1-NE 2.88Å; D98-R102 PolarHBondContact OD1-NE 3.48Å; D98-R102 IonicContact OD1-NH2 3.4Å; D98-R102 PolarHBondContact OD1-NH2 3.18Å; D98-R102 IonicContact OD2-NE 3.91Å; D98-R102 IonicContact OD2-NH2 3.55Å
99L89.9Confident82Confident68 Ų6865.6 Ų65.636%0.35638%0.375SS..Hα-helixtrans-56.3-47.5173.6-71171.1000111.7A95 S101 R102 A103 E104A95-L99 WeakPolarHBondContact O-CG 3.34Å; A95-L99 PolarHBondContact O-N 2.75Å; A95-L99 VanDerWaalsContact O-N 3.08Å; L99-S101 VanDerWaalsContact C-N 3.25Å; L99-S101 PolarHBondContact O-N 2.95Å; L99-R102 PolarHBondContact O-N 3.01Å; L99-R102 VanDerWaalsContact O-N 3.1Å; L99-A103 PolarHBondContact O-N 3.23Å; L99-E104 HydrophobicContact CD2-CB 4.39Å; L99-E104 PolarHBondContact O-N 2.88Å
100A89.8Confident79.7Confident3 Ų364 Ų643%0.02538%0.377CS..Hα-helixtrans-66.8-27.3178.300000113.1V22 F26 L49 V96 L97 D98 R102 A103V22-A100 HydrophobicContact CG1-CB 4.43Å; F26-A100 HydrophobicContact CB-CB 4.26Å; F26-A100 HydrophobicContact CD1-CB 3.78Å; L49-A100 HydrophobicContact CB-CB 4.08Å; L49-A100 HydrophobicContact CD1-CB 3.46Å; L49-A100 VanDerWaalsContact CD1-CB 3.46Å; L49-A100 HydrophobicContact CG-CB 4.41Å; V96-A100 VanDerWaalsContact O-CB 3.23Å; V96-A100 WeakPolarHBondContact O-CB 3.07Å; V96-A100 PolarHBondContact O-N 2.87Å; L97-A100 PolarHBondContact O-N 2.83Å; D98-A100 VanDerWaalsContact C-N 3.33Å; D98-A100 PolarHBondContact O-N 3.09Å; A100-R102 PolarHBondContact O-N 2.81Å; A100-A103 PolarHBondContact O-N 2.74Å; A100-A103 VanDerWaalsContact O-N 3.13Å
101S90.2Very high77.3Confident18 Ų1873.1 Ų73.113%0.12642%0.42CS..Hα-helixtrans-70.5-23175.1790000113.3L49 P50 G51 L97 D98 L99L49-S101 VanDerWaalsContact O-CA 3.29Å; L49-S101 WeakPolarHBondContact O-CA 3.29Å; L49-S101 WeakPolarHBondContact O-CB 3.07Å; P50-S101 WeakPolarHBondContact CA-O 3.26Å; G51-S101 PolarHBondContact N-O 3.04Å; G51-S101 VanDerWaalsContact N-O 3.12Å; L97-S101 VanDerWaalsContact O-CB 3.25Å; L97-S101 WeakPolarHBondContact O-CB 3.4Å; L97-S101 PolarHBondContact O-N 2.82Å; D98-S101 WeakPolarHBondContact O-CB 3.5Å; D98-S101 PolarHBondContact O-N 3.24Å; D98-S101 PolarHBondContact O-OG 3.32Å; L99-S101 VanDerWaalsContact C-N 3.25Å; L99-S101 PolarHBondContact O-N 2.95Å
102R88.1Confident74.9Confident150 Ų15078.6 Ų78.657%0.56644%0.438SS*.THydrogen-bonded Turntrans-90.9-2.2172.8-59.6169.8-169.2-91.1-5.3112.5D98 L99 A100 E104D98-R102 WeakPolarHBondContact O-CG 3.47Å; D98-R102 PolarHBondContact O-N 2.98Å; D98-R102 IonicContact OD1-CZ 3.58Å; D98-R102 IonicContact OD1-NE 2.88Å; D98-R102 PolarHBondContact OD1-NE 3.48Å; D98-R102 IonicContact OD1-NH2 3.4Å; D98-R102 PolarHBondContact OD1-NH2 3.18Å; D98-R102 IonicContact OD2-NE 3.91Å; D98-R102 IonicContact OD2-NH2 3.55Å; L99-R102 PolarHBondContact O-N 3.01Å; L99-R102 VanDerWaalsContact O-N 3.1Å; A100-R102 PolarHBondContact O-N 2.81Å; R102-E104 HydrophobicContact CB-CB 4.28Å; R102-E104 HydrophobicContact CB-CG 3.76Å; R102-E104 WeakPolarHBondContact CB-OE2 3.46Å; R102-E104 WeakPolarHBondContact CD-OE2 3.46Å; R102-E104 PolarHBondContact O-N 2.78Å
103A83.1Confident72.5Confident49 Ų4985.8 Ų85.841%0.40547%0.473SS..THydrogen-bonded Turntrans51.831.2-167.500000112.3F26 P50 L99 A100 I105F26-A103 HydrophobicContact CD2-CB 3.9Å; F26-A103 HydrophobicContact CE2-CB 3.74Å; F26-A103 HydrophobicContact CG-CB 4.38Å; F26-A103 HydrophobicContact CZ-CB 4.07Å; F26-A103 WeakPolarHBondContact CZ-O 3.45Å; P50-A103 HydrophobicContact CG-CB 4.38Å; L99-A103 PolarHBondContact O-N 3.23Å; A100-A103 PolarHBondContact O-N 2.74Å; A100-A103 VanDerWaalsContact O-N 3.13Å; A103-I105 PolarHBondContact O-N 2.81Å
104E77.9Confident71.5Confident104 Ų10489.8 Ų89.849%0.48650%0.496SS..  trans-87.4103.9172.6-69.9-176.710300106.9L99 R102L99-E104 HydrophobicContact CD2-CB 4.39Å; L99-E104 PolarHBondContact O-N 2.88Å; R102-E104 HydrophobicContact CB-CB 4.28Å; R102-E104 HydrophobicContact CB-CG 3.76Å; R102-E104 WeakPolarHBondContact CB-OE2 3.46Å; R102-E104 WeakPolarHBondContact CD-OE2 3.46Å; R102-E104 PolarHBondContact O-N 2.78Å
105I65Low70.4Confident85 Ų8592.2 Ų92.244%0.43651%0.51SS..  trans-61.3134.4159.4-46-177.6000103.9F26 A103 T107F26-I105 HydrophobicContact CE1-CG1 3.99Å; F26-I105 HydrophobicContact CE2-CG1 4.18Å; F26-I105 HydrophobicContact CZ-CB 4.33Å; F26-I105 HydrophobicContact CZ-CD1 4.32Å; F26-I105 HydrophobicContact CZ-CG1 3.33Å; A103-I105 PolarHBondContact O-N 2.81Å; I105-T107 PolarHBondContact O-N 2.87Å; I105-T107 PolarHBondContact O-OG1 2.68Å
106P58Low69.1Low88 Ų8894.3 Ų94.357%0.57151%0.514SS*.  trans-59.192.8157.325.7-30.1000104.7D108P106-D108 PolarHBondContact O-N 2.73Å
107T55.5Low67.8Low124 Ų12497.4 Ų97.476%0.76153%0.529SS*.  trans-56.8101.7175.1-58.70000103.4I105 A109I105-T107 PolarHBondContact O-N 2.87Å; I105-T107 PolarHBondContact O-OG1 2.68Å; T107-A109 VanDerWaalsContact C-N 3.25Å; T107-A109 PolarHBondContact O-N 2.84Å
108D51.8Low66.3Low130 Ų130103.4 Ų103.470%0.69556%0.562SS**  trans-54.7104.5166.7-173.8-106.9000104.9P106 G110P106-D108 PolarHBondContact O-N 2.73Å; D108-G110 PolarHBondContact O-N 2.93Å; D108-G110 WeakPolarHBondContact OD1-CA 3.13Å
109A49.5Very low64.6Low102 Ų102106.6 Ų106.684%0.84358%0.579SS**SBendtrans-64.982.8166.800000105.5T107T107-A109 VanDerWaalsContact C-N 3.25Å; T107-A109 PolarHBondContact O-N 2.84Å
110G45.2Very low62.8Low37 Ų37109.4 Ų109.438%0.38160%0.595SS.*  trans-179.832.4-164.200000118.9D108D108-G110 PolarHBondContact O-N 2.93Å; D108-G110 WeakPolarHBondContact OD1-CA 3.13Å
111Q41.5Very low60.8Low194 Ų194117.5 Ų117.591%0.90764%0.639SS**  trans-136.776.2145.4-71.8-172.1-104.700105.2
112M41.8Very low58.3Low174 Ų174125.8 Ų125.886%0.85768%0.682SS**  21.2110.883-74.7-164.2-160.700114.4
113E42.3Very low55.6Low273 Ų273123.6 Ų123.6100%1.27669%0.693SS**  trans910164.7-54.1-169.497.800117.6

Retrieved 113 of 113 residues in 82.8 ms (Link to these results)

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