A0A096M516_POEFO Loading...

Enolase-phosphatase 1

AlphaFold DB , UniProt , Accession A0A096M516, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 226 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
1M46Very low78.9Confident219 Ų21979.1 Ų79.1100%1.07952%0.515SS*.  0120.60-73.5-167.2-85.400107S3M1-S3 PolarHBondContact O-N 2.97Å
2A49.9Very low80.5Confident70 Ų7072.6 Ų72.658%0.57947%0.472SS*.  trans-63.5127.4170.600000107.9L225A2-L225 HydrophobicContact CB-CD2 3.6Å
3S64.4Low81.8Confident117 Ų11767 Ų6782%0.81844%0.436SS*.  trans-92.9113.3176.658.40000108.8M1M1-S3 PolarHBondContact O-N 2.97Å
4V71.8Confident82.9Confident31 Ų3162.2 Ų62.219%0.18841%0.405CS..  trans-76.5123.1171.3-178.20000108.8I6 L210 V223 L225V4-I6 HydrophobicContact CG1-CG1 4.31Å; V4-I6 PolarHBondContact O-N 3.5Å; V4-L210 HydrophobicContact CG1-CD1 4.2Å; V4-L210 HydrophobicContact CG1-CD2 3.72Å; V4-V223 HydrophobicContact CG1-CG1 4.16Å; V4-L225 HydrophobicContact CG2-CD1 3.76Å; V4-L225 HydrophobicContact CG2-CD2 3.89Å; V4-L225 HydrophobicContact CG2-CG 4.05Å
5S81.4Confident83.9Confident89 Ų8958.3 Ų58.362%0.62238%0.379SS*.  trans-80.7113.7171.3-178.90000109.1
6I87.1Confident84.7Confident42 Ų4254.9 Ų54.922%0.21536%0.357CS..  trans-95.5121.6177.7-62.3172.7000108.7V4 T10 L13 W142 L147V4-I6 HydrophobicContact CG1-CG1 4.31Å; V4-I6 PolarHBondContact O-N 3.5Å; I6-T10 VanDerWaalsContact CG2-CB 3.47Å; I6-T10 HydrophobicContact CG2-CG2 3.74Å; I6-T10 WeakPolarHBondContact CG2-OG1 3.39Å; I6-L13 HydrophobicContact CD1-CD1 3.99Å; I6-L13 HydrophobicContact CD1-CD2 4.08Å; I6-L13 HydrophobicContact CG1-CD2 4.29Å; I6-L13 HydrophobicContact CG2-CD2 4.42Å; I6-W142 HydrophobicContact CD1-CD2 4.41Å; I6-W142 HydrophobicContact CD1-CG 4.22Å; I6-L147 HydrophobicContact CD1-CD1 3.97Å; I6-L147 HydrophobicContact CG2-CD1 4.36Å
7P90.6Very high85.3Confident45 Ų4552.2 Ų52.229%0.29234%0.338SS..  trans-54.3144.1174.9-25.132.9000112.5C9 T10 T208P7-C9 PolarHBondContact O-N 2.89Å; P7-T10 WeakPolarHBondContact CD-OG1 3.46Å; P7-T10 WeakPolarHBondContact O-CB 3.33Å; P7-T10 PolarHBondContact O-N 3.25Å; P7-T10 PolarHBondContact O-OG1 3.24Å; P7-T208 WeakPolarHBondContact CD-OG1 3.43Å
8A90.6Very high85.6Confident115 Ų11553.2 Ų53.295%0.9534%0.338SS*.THydrogen-bonded Turntrans-64.4-23.5-175.500000114.4T10A8-T10 VanDerWaalsContact C-N 3.27Å
9C93.3Very high86Confident72 Ų7251.4 Ų51.449%0.48633%0.331SS..THydrogen-bonded Turntrans-79.7-6.4174.856.40000113.6P7 T11 E205P7-C9 PolarHBondContact O-N 2.89Å; C9-T11 PolarHBondContact O-N 3.12Å; C9-E205 PolarHBondContact SG-O 3.06Å; C9-E205 VanDerWaalsContact SG-O 3.4Å
10T95.8Very high86.4Confident11 Ų1149.9 Ų49.97%0.06732%0.321CS..  trans-68.9125.3-176.7-520000110.5I6 P7 A8 A12 L13 L147 E206 T208I6-T10 VanDerWaalsContact CG2-CB 3.47Å; I6-T10 HydrophobicContact CG2-CG2 3.74Å; I6-T10 WeakPolarHBondContact CG2-OG1 3.39Å; P7-T10 WeakPolarHBondContact CD-OG1 3.46Å; P7-T10 WeakPolarHBondContact O-CB 3.33Å; P7-T10 PolarHBondContact O-N 3.25Å; P7-T10 PolarHBondContact O-OG1 3.24Å; A8-T10 VanDerWaalsContact C-N 3.27Å; T10-A12 VanDerWaalsContact CG2-O 3.25Å; T10-A12 WeakPolarHBondContact CG2-O 3.44Å; T10-L13 HydrophobicContact CG2-CD2 4.06Å; T10-L147 HydrophobicContact CG2-CD2 4.45Å; T10-L147 WeakPolarHBondContact O-CD2 3.25Å; T10-E206 CarbonylContact C-O 3.45Å; T10-E206 WeakPolarHBondContact CA-O 3.31Å; T10-T208 PolarHBondContact OG1-OG1 3.36Å
11T96.9Very high86.9Confident59 Ų5947.7 Ų47.736%0.36231%0.307SS..  trans-113.6-21.8170.866.80000111.7C9 K148 E206C9-T11 PolarHBondContact O-N 3.12Å; T11-K148 PolarHBondContact O-N 3.19Å; T11-E206 HydrophobicContact CG2-CB 4.3Å; T11-E206 PolarHBondContact N-O 3.35Å; T11-E206 WeakPolarHBondContact OG1-CB 3.37Å
12A97.8Very high89.3Confident1 Ų137.3 Ų37.31%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-132.3138.5177.400000112.2T10 K148 Y150 I200 E206 I207 T208T10-A12 VanDerWaalsContact CG2-O 3.25Å; T10-A12 WeakPolarHBondContact CG2-O 3.44Å; A12-K148 CarbonylContact C-O 3.5Å; A12-K148 WeakPolarHBondContact CA-O 3.39Å; A12-K148 HydrophobicContact CB-CB 4.22Å; A12-Y150 HydrophobicContact CB-CD2 4.27Å; A12-Y150 HydrophobicContact CB-CE2 4.14Å; A12-I200 HydrophobicContact CB-CG2 4.35Å; A12-E206 PolarHBondContact N-O 3.47Å; A12-E206 VanDerWaalsContact N-O 3.16Å; A12-I207 HydrophobicContact CB-CG1 4.31Å; A12-I207 WeakPolarHBondContact O-CA 3.39Å; A12-T208 PolarHBondContact O-N 3.11Å
13L97.8Very high91.4Very high0 Ų034.5 Ų34.50%023%0.231CC..EExtended strand (participates in β ladder)trans-101.9131.7169-66.5172.7000108.9I6 T10 L15 W142 L147 K148 V149 Y150 T208I6-L13 HydrophobicContact CD1-CD1 3.99Å; I6-L13 HydrophobicContact CD1-CD2 4.08Å; I6-L13 HydrophobicContact CG1-CD2 4.29Å; I6-L13 HydrophobicContact CG2-CD2 4.42Å; T10-L13 HydrophobicContact CG2-CD2 4.06Å; L13-L15 HydrophobicContact CB-CD2 4.35Å; L13-W142 HydrophobicContact CD1-CB 3.83Å; L13-W142 HydrophobicContact CD1-CD2 3.26Å; L13-W142 HydrophobicContact CD1-CE3 3.22Å; L13-W142 HydrophobicContact CD1-CG 3.55Å; L13-W142 HydrophobicContact CD1-CH2 4.49Å; L13-W142 HydrophobicContact CD1-CZ3 3.89Å; L13-L147 HydrophobicContact CD1-CD1 4.04Å; L13-L147 HydrophobicContact CG-CD1 4.33Å; L13-K148 PolarHBondContact N-O 3.08Å; L13-V149 HydrophobicContact CB-CG1 4.46Å; L13-V149 HydrophobicContact CB-CG2 4.46Å; L13-V149 HydrophobicContact CD1-CG2 4.45Å; L13-V149 CarbonylContact O-C 3.58Å; L13-V149 WeakPolarHBondContact O-CA 3.41Å; L13-Y150 PolarHBondContact O-N 3.39Å; L13-T208 WeakPolarHBondContact CA-O 3.33Å; L13-T208 HydrophobicContact CD2-CG2 4.23Å
14L97.7Very high92.7Very high0 Ų032.5 Ų32.50%021%0.211CC..EExtended strand (participates in β ladder)trans-109.2124170.4-167.967000107.2Y150 Y152 F180 Y193 I196 I207 T208 F209 L210L14-Y150 CarbonylContact C-O 3.59Å; L14-Y152 HydrophobicContact CD2-CD1 3.92Å; L14-Y152 HydrophobicContact CD2-CG 4.33Å; L14-F180 HydrophobicContact CD1-CD2 4.1Å; L14-Y193 HydrophobicContact CD2-CD1 4.16Å; L14-Y193 HydrophobicContact CD2-CE1 4.23Å; L14-I196 HydrophobicContact CD1-CG2 4.31Å; L14-I196 HydrophobicContact CD2-CD1 4.02Å; L14-I196 HydrophobicContact CD2-CG2 4.28Å; L14-I207 HydrophobicContact CB-CG2 3.83Å; L14-T208 PolarHBondContact N-O 3.42Å; L14-F209 HydrophobicContact CB-CB 4.37Å; L14-F209 HydrophobicContact CB-CD2 3.75Å; L14-F209 HydrophobicContact CB-CG 4.49Å; L14-F209 HydrophobicContact CD2-CD2 3.75Å; L14-F209 HydrophobicContact CD2-CE2 4.23Å; L14-F209 HydrophobicContact CD2-CG 4.31Å; L14-F209 HydrophobicContact CG-CD2 3.68Å; L14-F209 HydrophobicContact CG-CE2 4.12Å; L14-F209 CarbonylContact O-C 3.52Å; L14-F209 WeakPolarHBondContact O-CA 3.34Å; L14-F209 VanDerWaalsContact O-CD2 3.25Å; L14-F209 WeakPolarHBondContact O-CD2 3.29Å; L14-L210 PolarHBondContact O-N 3.44Å
15L97.7Very high93.7Very high3 Ų334.7 Ų34.72%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-113.2134.1-176.6-50.4-177.5000110.4L13 T21 V139 W142 V149 Y150 I151 Y152 F176 L210L13-L15 HydrophobicContact CB-CD2 4.35Å; L15-T21 HydrophobicContact CB-CG2 4.14Å; L15-T21 HydrophobicContact CD1-CG2 4.08Å; L15-V139 HydrophobicContact CD1-CG2 3.97Å; L15-W142 HydrophobicContact CD1-CZ3 4.25Å; L15-W142 HydrophobicContact CD2-CZ3 4.11Å; L15-V149 HydrophobicContact CD1-CG1 3.61Å; L15-V149 HydrophobicContact CG-CG1 3.98Å; L15-Y150 PolarHBondContact N-O 3.22Å; L15-I151 HydrophobicContact CB-CD1 3.96Å; L15-I151 HydrophobicContact CD1-CD1 4.42Å; L15-I151 CarbonylContact O-C 3.5Å; L15-I151 WeakPolarHBondContact O-CA 3.25Å; L15-Y152 PolarHBondContact O-N 2.7Å; L15-F176 HydrophobicContact CD1-CE1 4.23Å; L15-L210 HydrophobicContact CD2-CB 3.93Å; L15-L210 HydrophobicContact CD2-CD1 3.59Å; L15-L210 HydrophobicContact CD2-CG 4Å
16D96.1Very high94.2Very high4 Ų430.8 Ų30.82%0.02120%0.196CC..  trans-76166.2164.3-162.16.2000111.7T20 T21 K187 F209 L210 T211D16-T20 HydrophobicContact CB-CG2 4.2Å; D16-T21 WeakPolarHBondContact O-CG2 3.46Å; D16-T21 PolarHBondContact O-OG1 3.1Å; D16-T21 VanDerWaalsContact O-OG1 3.09Å; D16-K187 IonicContact OD1-NZ 3.72Å; D16-K187 PolarHBondContact OD1-NZ 3.21Å; D16-K187 IonicContact OD2-NZ 3.78Å; D16-K187 PolarHBondContact OD2-NZ 3.4Å; D16-F209 HydrophobicContact CB-CE2 4.17Å; D16-F209 HydrophobicContact CB-CZ 4.16Å; D16-L210 WeakPolarHBondContact CB-O 3Å; D16-L210 PolarHBondContact N-O 2.84Å; D16-T211 PolarHBondContact OD2-OG1 2.85Å
17I95.3Very high94.3Very high9 Ų929.7 Ų29.75%0.04619%0.191CC..SBendtrans-97.5-73177.6-67.6-177.8000111G19 T20 T21 T22 I151 Q160 L163 F164I17-G19 PolarHBondContact O-N 2.83Å; I17-T20 PolarHBondContact O-N 3.13Å; I17-T20 VanDerWaalsContact O-N 3.13Å; I17-T21 WeakPolarHBondContact CA-OG1 3.5Å; I17-T21 PolarHBondContact O-N 3.29Å; I17-T21 PolarHBondContact O-OG1 2.81Å; I17-T22 HydrophobicContact CG2-CG2 4.43Å; I17-T22 PolarHBondContact O-N 2.93Å; I17-I151 HydrophobicContact CD1-CG2 3.77Å; I17-I151 HydrophobicContact CG1-CG2 3.75Å; I17-Q160 HydrophobicContact CD1-CB 4.17Å; I17-Q160 HydrophobicContact CD1-CG 3.67Å; I17-L163 HydrophobicContact CD1-CD2 3.99Å; I17-L163 HydrophobicContact CG1-CD2 4.5Å; I17-L163 HydrophobicContact CG2-CD2 3.56Å; I17-F164 HydrophobicContact CD1-CE2 3.98Å; I17-F164 HydrophobicContact CD1-CZ 4.49Å; I17-F164 HydrophobicContact CG1-CE2 4.18Å; I17-F164 HydrophobicContact CG1-CZ 4.25Å
18E91.4Very high94.1Very high70 Ų7034.1 Ų34.133%0.32721%0.206SC..BIsolated β-bridgetrans-67.1128.5-170.2-160.6-176.9172.900109.4T20 I24 V27E18-T20 PolarHBondContact O-N 2.99Å; E18-I24 HydrophobicContact CG-CB 4.2Å; E18-I24 HydrophobicContact CG-CG1 3.84Å; E18-V27 HydrophobicContact CB-CG2 4.39Å; E18-V27 HydrophobicContact CG-CB 4.14Å; E18-V27 HydrophobicContact CG-CG2 3.92Å
19G91.5Very high94.2Very high20 Ų2032.8 Ų32.821%0.20618%0.183CC..THydrogen-bonded Turntrans74.2-10.1-177.100000115.3I17 T22I17-G19 PolarHBondContact O-N 2.83Å; G19-T22 PolarHBondContact N-O 3.07Å
20T94.7Very high94.3Very high21 Ų2133.1 Ų33.113%0.12918%0.179CC..THydrogen-bonded Turntrans-114.3-62.3-174.5-58.60000112.8D16 I17 E18 Y132 L210 T211 D212D16-T20 HydrophobicContact CB-CG2 4.2Å; I17-T20 PolarHBondContact O-N 3.13Å; I17-T20 VanDerWaalsContact O-N 3.13Å; E18-T20 PolarHBondContact O-N 2.99Å; T20-Y132 WeakPolarHBondContact O-CD2 3.29Å; T20-L210 HydrophobicContact CG2-CB 4.32Å; T20-T211 WeakPolarHBondContact OG1-CA 3.25Å; T20-D212 PolarHBondContact OG1-N 3.3Å; T20-D212 VanDerWaalsContact OG1-N 3.1Å
21T96.8Very high94.1Very high4 Ų433.5 Ų33.53%0.02518%0.18CC..THydrogen-bonded Turntrans-100.1-20.8174.754.90000112.3L15 D16 I17 I131 Y132 V135L15-T21 HydrophobicContact CB-CG2 4.14Å; L15-T21 HydrophobicContact CD1-CG2 4.08Å; D16-T21 WeakPolarHBondContact O-CG2 3.46Å; D16-T21 PolarHBondContact O-OG1 3.1Å; D16-T21 VanDerWaalsContact O-OG1 3.09Å; I17-T21 WeakPolarHBondContact CA-OG1 3.5Å; I17-T21 PolarHBondContact O-N 3.29Å; I17-T21 PolarHBondContact O-OG1 2.81Å; T21-I131 CarbonylContact O-C 3.54Å; T21-I131 VanDerWaalsContact O-CA 3.28Å; T21-I131 WeakPolarHBondContact O-CA 3.5Å; T21-Y132 PolarHBondContact O-N 2.87Å; T21-V135 HydrophobicContact CG2-CG1 3.91Å; T21-V135 HydrophobicContact CG2-CG2 4.24Å
22T96.3Very high93.8Very high0 Ų034.7 Ų34.70%018%0.181CC..BIsolated β-bridgetrans-134.1137.7-173.1-61.90000109.5I17 G19 I24 F26 V27 E130I17-T22 HydrophobicContact CG2-CG2 4.43Å; I17-T22 PolarHBondContact O-N 2.93Å; G19-T22 PolarHBondContact N-O 3.07Å; T22-I24 PolarHBondContact O-N 3.42Å; T22-F26 HydrophobicContact CG2-CB 3.95Å; T22-F26 HydrophobicContact CG2-CD1 3.65Å; T22-F26 HydrophobicContact CG2-CG 4.15Å; T22-V27 HydrophobicContact CG2-CG2 4.4Å; T22-E130 WeakPolarHBondContact CB-O 3.39Å; T22-E130 WeakPolarHBondContact CG2-O 3.48Å; T22-E130 PolarHBondContact OG1-O 3.35Å; T22-E130 VanDerWaalsContact OG1-O 3.12Å
23P95.2Very high93.7Very high11 Ų1135.7 Ų35.77%0.07119%0.187CC..  trans-56.7137.4175-23.432.2000112.9T25 F26 E130 Y132P23-T25 WeakPolarHBondContact CB-OG1 3.38Å; P23-T25 PolarHBondContact O-N 3.16Å; P23-F26 HydrophobicContact CB-CB 4.45Å; P23-F26 WeakPolarHBondContact O-CB 3.42Å; P23-F26 PolarHBondContact O-N 3.42Å; P23-E130 HydrophobicContact CG-CG 4.05Å; P23-Y132 WeakPolarHBondContact CA-OH 3.34Å; P23-Y132 HydrophobicContact CB-CE1 4.28Å; P23-Y132 HydrophobicContact CG-CD1 4.17Å; P23-Y132 HydrophobicContact CG-CE1 3.64Å
24I90.4Very high93.6Very high76 Ų7637.2 Ų37.239%0.3919%0.193SC..Hα-helixtrans-52.4-39171.2-68.7162.8000110.5E18 T22 F26 V27 K28E18-I24 HydrophobicContact CG-CB 4.2Å; E18-I24 HydrophobicContact CG-CG1 3.84Å; T22-I24 PolarHBondContact O-N 3.42Å; I24-F26 VanDerWaalsContact C-N 3.3Å; I24-F26 PolarHBondContact O-N 2.84Å; I24-V27 PolarHBondContact O-N 3.08Å; I24-K28 WeakPolarHBondContact O-CB 3.34Å; I24-K28 PolarHBondContact O-N 3.28Å
25T92.6Very high93.6Very high77 Ų7737.3 Ų37.347%0.47219%0.193SC..Hα-helixtrans-62.5-32.6178.750.30000112.9P23 D29P23-T25 WeakPolarHBondContact CB-OG1 3.38Å; P23-T25 PolarHBondContact O-N 3.16Å; T25-D29 WeakPolarHBondContact CB-OD2 3.42Å; T25-D29 WeakPolarHBondContact O-CA 3.46Å; T25-D29 WeakPolarHBondContact O-CB 3.37Å; T25-D29 PolarHBondContact O-N 3.05Å
26F93.4Very high93.5Very high7 Ų743.7 Ų43.73%0.03122%0.217CC..Iπ-helixtrans-64.7-44.7176.8179.7-103.2000111.2T22 P23 I24 I30 L31 I127 K128 E130 L163T22-F26 HydrophobicContact CG2-CB 3.95Å; T22-F26 HydrophobicContact CG2-CD1 3.65Å; T22-F26 HydrophobicContact CG2-CG 4.15Å; P23-F26 HydrophobicContact CB-CB 4.45Å; P23-F26 WeakPolarHBondContact O-CB 3.42Å; P23-F26 PolarHBondContact O-N 3.42Å; I24-F26 VanDerWaalsContact C-N 3.3Å; I24-F26 PolarHBondContact O-N 2.84Å; F26-I30 HydrophobicContact CD2-CB 4.07Å; F26-I30 HydrophobicContact CD2-CG1 4.03Å; F26-I30 HydrophobicContact CD2-CG2 4.4Å; F26-I30 HydrophobicContact CE2-CB 4.22Å; F26-I30 HydrophobicContact CE2-CG1 4.5Å; F26-I30 HydrophobicContact CE2-CG2 4.06Å; F26-I30 WeakPolarHBondContact O-CA 3.34Å; F26-I30 WeakPolarHBondContact O-CB 3.13Å; F26-I30 PolarHBondContact O-N 3.04Å; F26-I30 VanDerWaalsContact O-N 3.13Å; F26-L31 HydrophobicContact CD1-CD1 4.13Å; F26-L31 HydrophobicContact CD1-CG 4.07Å; F26-L31 HydrophobicContact CE1-CD1 3.77Å; F26-L31 HydrophobicContact CE1-CD2 3.71Å; F26-L31 HydrophobicContact CE1-CG 3.65Å; F26-L31 HydrophobicContact CZ-CD2 3.81Å; F26-L31 HydrophobicContact CZ-CG 4.17Å; F26-L31 PolarHBondContact O-N 2.88Å; F26-I127 HydrophobicContact CE2-CG2 4.22Å; F26-I127 HydrophobicContact CZ-CG2 3.75Å; F26-K128 WeakPolarHBondContact CE2-O 3.3Å; F26-K128 WeakPolarHBondContact CZ-O 3.49Å; F26-E130 HydrophobicContact CB-CB 4.03Å; F26-E130 HydrophobicContact CD1-CB 4.27Å; F26-E130 HydrophobicContact CD2-CB 3.45Å; F26-E130 VanDerWaalsContact CD2-CB 3.45Å; F26-E130 HydrophobicContact CE2-CB 3.94Å; F26-E130 HydrophobicContact CG-CB 3.64Å; F26-L163 HydrophobicContact CD1-CD1 4.08Å; F26-L163 HydrophobicContact CE1-CD1 3.45Å; F26-L163 VanDerWaalsContact CE1-CD1 3.45Å; F26-L163 HydrophobicContact CZ-CD1 4.33Å
27V88.1Confident93.5Very high18 Ų1848 Ų4811%0.10924%0.24CC..Iπ-helixtrans-66.8-50.4178.1178.60000110.5E18 T22 I24 L31 F32E18-V27 HydrophobicContact CB-CG2 4.39Å; E18-V27 HydrophobicContact CG-CB 4.14Å; E18-V27 HydrophobicContact CG-CG2 3.92Å; T22-V27 HydrophobicContact CG2-CG2 4.4Å; I24-V27 PolarHBondContact O-N 3.08Å; V27-L31 HydrophobicContact CG2-CD1 4.38Å; V27-L31 PolarHBondContact O-N 2.96Å; V27-F32 HydrophobicContact CG1-CD2 3.89Å; V27-F32 HydrophobicContact CG1-CE2 3.58Å; V27-F32 WeakPolarHBondContact O-CD2 3.28Å; V27-F32 PolarHBondContact O-N 3.2Å
28K87.4Confident93.6Very high138 Ų13850.2 Ų50.260%0.625%0.251SS*.Iπ-helixtrans-74.1-39.2-172.6-173.9-173.5171.7-170.70114I24 P33I24-K28 WeakPolarHBondContact O-CB 3.34Å; I24-K28 PolarHBondContact O-N 3.28Å; K28-P33 WeakPolarHBondContact O-CD 3.25Å; K28-P33 VanDerWaalsContact O-CG 3.25Å; K28-P33 WeakPolarHBondContact O-CG 3.35Å
29D92.4Very high93.9Very high88 Ų8846.9 Ų46.947%0.47124%0.235SC..Iπ-helixtrans-105.5-13.4-169.2-51-35.1000112.5T25 P33T25-D29 WeakPolarHBondContact CB-OD2 3.42Å; T25-D29 WeakPolarHBondContact O-CA 3.46Å; T25-D29 WeakPolarHBondContact O-CB 3.37Å; T25-D29 PolarHBondContact O-N 3.05Å; D29-P33 WeakPolarHBondContact O-CG 3.45Å
30I94.6Very high94.1Very high79 Ų7951.4 Ų51.441%0.40525%0.251SS..Iπ-helixtrans-116.7-61177.3-48.5-65000111.8F26 Y34F26-I30 HydrophobicContact CD2-CB 4.07Å; F26-I30 HydrophobicContact CD2-CG1 4.03Å; F26-I30 HydrophobicContact CD2-CG2 4.4Å; F26-I30 HydrophobicContact CE2-CB 4.22Å; F26-I30 HydrophobicContact CE2-CG1 4.5Å; F26-I30 HydrophobicContact CE2-CG2 4.06Å; F26-I30 WeakPolarHBondContact O-CA 3.34Å; F26-I30 WeakPolarHBondContact O-CB 3.13Å; F26-I30 PolarHBondContact O-N 3.04Å; F26-I30 VanDerWaalsContact O-N 3.13Å; I30-Y34 VanDerWaalsContact O-CB 3.25Å; I30-Y34 WeakPolarHBondContact O-CB 3.44Å; I30-Y34 PolarHBondContact O-N 3Å
31L92.1Very high94.2Very high19 Ų1955.4 Ų55.410%0.09927%0.271CS..Iπ-helixtrans-65.3-51.3-170-66.9-175000113.9F26 V27 I35 W118 Y122 I127F26-L31 HydrophobicContact CD1-CD1 4.13Å; F26-L31 HydrophobicContact CD1-CG 4.07Å; F26-L31 HydrophobicContact CE1-CD1 3.77Å; F26-L31 HydrophobicContact CE1-CD2 3.71Å; F26-L31 HydrophobicContact CE1-CG 3.65Å; F26-L31 HydrophobicContact CZ-CD2 3.81Å; F26-L31 HydrophobicContact CZ-CG 4.17Å; F26-L31 PolarHBondContact O-N 2.88Å; V27-L31 HydrophobicContact CG2-CD1 4.38Å; V27-L31 PolarHBondContact O-N 2.96Å; L31-I35 PolarHBondContact O-N 2.77Å; L31-W118 HydrophobicContact CB-CZ2 4.21Å; L31-W118 PolarHBondContact O-NE1 3.04Å; L31-Y122 HydrophobicContact CD2-CE2 4.37Å; L31-Y122 WeakPolarHBondContact CD2-OH 3.41Å; L31-I127 HydrophobicContact CD2-CD1 4.18Å; L31-I127 HydrophobicContact CD2-CG2 3.99Å
32F90.9Very high94.2Very high83 Ų8356.5 Ų56.536%0.36428%0.276SS..Hα-helixtrans-72-41.2179.7-74-68.3000113V27 Y34 I35 R36 M101 W118V27-F32 HydrophobicContact CG1-CD2 3.89Å; V27-F32 HydrophobicContact CG1-CE2 3.58Å; V27-F32 WeakPolarHBondContact O-CD2 3.28Å; V27-F32 PolarHBondContact O-N 3.2Å; F32-Y34 VanDerWaalsContact C-N 3.28Å; F32-Y34 PolarHBondContact O-N 2.94Å; F32-I35 PolarHBondContact O-N 3.02Å; F32-R36 PolarHBondContact O-N 2.86Å; F32-M101 HydrophobicContact CB-CE 4.38Å; F32-M101 HydrophobicContact CD1-CE 4.16Å; F32-M101 WeakPolarHBondContact O-CE 3.43Å; F32-W118 HydrophobicContact CD1-CZ2 4.3Å; F32-W118 HydrophobicContact CE1-CH2 4.14Å; F32-W118 HydrophobicContact CE1-CZ2 4.29Å
33P95.3Very high94.2Very high22 Ų2256.5 Ų56.514%0.14328%0.276CS..Hα-helixtrans-58.9-36.9172-31.942000113.3K28 D29 I35 R36 D37K28-P33 WeakPolarHBondContact O-CD 3.25Å; K28-P33 VanDerWaalsContact O-CG 3.25Å; K28-P33 WeakPolarHBondContact O-CG 3.35Å; D29-P33 WeakPolarHBondContact O-CG 3.45Å; P33-I35 VanDerWaalsContact C-N 3.3Å; P33-I35 PolarHBondContact O-N 3.16Å; P33-R36 WeakPolarHBondContact O-CB 3.21Å; P33-R36 PolarHBondContact O-N 3.34Å; P33-R36 VanDerWaalsContact O-N 3.09Å; P33-D37 WeakPolarHBondContact O-CB 3.34Å; P33-D37 PolarHBondContact O-N 2.92Å
34Y96.8Very high94.2Very high33 Ų3358.9 Ų58.913%0.12929%0.293CS..Hα-helixtrans-56.9-43.7175-178.4-89.6000112.3I30 F32 D37 H38 A121 R126 I127I30-Y34 VanDerWaalsContact O-CB 3.25Å; I30-Y34 WeakPolarHBondContact O-CB 3.44Å; I30-Y34 PolarHBondContact O-N 3Å; F32-Y34 VanDerWaalsContact C-N 3.28Å; F32-Y34 PolarHBondContact O-N 2.94Å; Y34-D37 PolarHBondContact O-N 2.74Å; Y34-H38 AromaticContact CD2-CD2 3.25Å; Y34-H38 WeakPolarHBondContact CD2-CD2 3.4Å; Y34-H38 AromaticContact CD2-NE2 3.66Å; Y34-H38 HydrophobicContact CE1-CB 4.35Å; Y34-H38 AromaticContact CE2-CD2 3.19Å; Y34-H38 WeakPolarHBondContact CE2-CD2 3.44Å; Y34-H38 AromaticContact CE2-NE2 3.49Å; Y34-H38 WeakPolarHBondContact CE2-NE2 3.5Å; Y34-H38 AromaticContact CG-CD2 3.74Å; Y34-H38 AromaticContact CZ-CD2 3.63Å; Y34-H38 WeakPolarHBondContact O-CB 3.3Å; Y34-H38 PolarHBondContact O-CD2 2.88Å; Y34-H38 VanDerWaalsContact O-CD2 3.28Å; Y34-H38 PolarHBondContact O-N 2.81Å; Y34-H38 VanDerWaalsContact O-N 3.08Å; Y34-A121 HydrophobicContact CD1-CB 4.18Å; Y34-A121 HydrophobicContact CE1-CB 3.44Å; Y34-A121 VanDerWaalsContact CE1-CB 3.44Å; Y34-A121 HydrophobicContact CE2-CB 4.01Å; Y34-A121 WeakPolarHBondContact OH-CB 3.49Å; Y34-R126 HydrophobicContact CE2-CB 4.47Å; Y34-I127 HydrophobicContact CD1-CD1 3.95Å; Y34-I127 HydrophobicContact CD2-CD1 3.68Å; Y34-I127 HydrophobicContact CD2-CG1 4.06Å; Y34-I127 HydrophobicContact CE1-CD1 4.42Å; Y34-I127 HydrophobicContact CE2-CD1 4.17Å; Y34-I127 HydrophobicContact CE2-CG1 4.3Å; Y34-I127 HydrophobicContact CG-CD1 3.57Å; Y34-I127 HydrophobicContact CG-CG1 4.44Å
35I96.1Very high94.4Very high1 Ų160.2 Ų60.21%0.00531%0.305CS..Hα-helixtrans-60.2-49.8175.8-59.7-61.6000109.7L31 F32 P33 D37 H38 L39 M101 Q114 M117 W118L31-I35 PolarHBondContact O-N 2.77Å; F32-I35 PolarHBondContact O-N 3.02Å; P33-I35 VanDerWaalsContact C-N 3.3Å; P33-I35 PolarHBondContact O-N 3.16Å; I35-D37 VanDerWaalsContact C-N 3.27Å; I35-D37 PolarHBondContact O-N 2.79Å; I35-H38 PolarHBondContact O-N 2.98Å; I35-L39 WeakPolarHBondContact O-CB 3.45Å; I35-L39 PolarHBondContact O-N 3.27Å; I35-M101 HydrophobicContact CB-CE 3.91Å; I35-M101 HydrophobicContact CB-SD 4.27Å; I35-M101 HydrophobicContact CG2-CE 3.94Å; I35-M101 HydrophobicContact CG2-SD 3.61Å; I35-Q114 HydrophobicContact CD1-CB 4.27Å; I35-Q114 HydrophobicContact CD1-CG 4.27Å; I35-Q114 HydrophobicContact CG1-CG 4.18Å; I35-Q114 HydrophobicContact CG2-CG 4.26Å; I35-M117 HydrophobicContact CB-CE 4.46Å; I35-M117 HydrophobicContact CD1-CB 3.56Å; I35-M117 HydrophobicContact CD1-CE 3.91Å; I35-M117 HydrophobicContact CD1-CG 4.3Å; I35-M117 HydrophobicContact CD1-SD 3.83Å; I35-M117 HydrophobicContact CG2-CE 4.18Å; I35-M117 HydrophobicContact CG2-SD 4.07Å; I35-W118 HydrophobicContact CD1-CD2 4.31Å; I35-W118 HydrophobicContact CD1-CG 4.33Å; I35-W118 HydrophobicContact CD1-CZ2 4.39Å; I35-W118 HydrophobicContact CG1-CZ2 3.94Å
36R95.2Very high94.6Very high137 Ų13758.9 Ų58.952%0.51729%0.293SS..Hα-helixtrans-57.1-43.2-179.6-179.5-175.364.6-155.7-7112.2F32 P33 M98F32-R36 PolarHBondContact O-N 2.86Å; P33-R36 WeakPolarHBondContact O-CB 3.21Å; P33-R36 PolarHBondContact O-N 3.34Å; P33-R36 VanDerWaalsContact O-N 3.09Å; R36-M98 HydrophobicContact CB-CE 4.22Å; R36-M98 HydrophobicContact CB-SD 4.17Å; R36-M98 HydrophobicContact CG-CE 3.77Å; R36-M98 HydrophobicContact CG-SD 3.75Å; R36-M98 WeakPolarHBondContact O-CE 3.38Å
37D96.9Very high94.6Very high95 Ų9560.1 Ų60.151%0.50830%0.297SS..Hα-helixtrans-84.3-15.1-169.6-58.5-8.6000112.5P33 Y34 I35P33-D37 WeakPolarHBondContact O-CB 3.34Å; P33-D37 PolarHBondContact O-N 2.92Å; Y34-D37 PolarHBondContact O-N 2.74Å; I35-D37 VanDerWaalsContact C-N 3.27Å; I35-D37 PolarHBondContact O-N 2.79Å
38H97.5Very high94.9Very high56 Ų5664.9 Ų64.926%0.25932%0.318SS..Hα-helixtrans-122.4-0.6-177.4-65.7-67000115.3Y34 I35 E40 H42 M117Y34-H38 AromaticContact CD2-CD2 3.25Å; Y34-H38 WeakPolarHBondContact CD2-CD2 3.4Å; Y34-H38 AromaticContact CD2-NE2 3.66Å; Y34-H38 HydrophobicContact CE1-CB 4.35Å; Y34-H38 AromaticContact CE2-CD2 3.19Å; Y34-H38 WeakPolarHBondContact CE2-CD2 3.44Å; Y34-H38 AromaticContact CE2-NE2 3.49Å; Y34-H38 WeakPolarHBondContact CE2-NE2 3.5Å; Y34-H38 AromaticContact CG-CD2 3.74Å; Y34-H38 AromaticContact CZ-CD2 3.63Å; Y34-H38 WeakPolarHBondContact O-CB 3.3Å; Y34-H38 PolarHBondContact O-CD2 2.88Å; Y34-H38 VanDerWaalsContact O-CD2 3.28Å; Y34-H38 PolarHBondContact O-N 2.81Å; Y34-H38 VanDerWaalsContact O-N 3.08Å; I35-H38 PolarHBondContact O-N 2.98Å; H38-E40 PolarHBondContact O-N 3.2Å; H38-H42 VanDerWaalsContact O-CB 3.25Å; H38-H42 WeakPolarHBondContact O-CB 3.46Å; H38-H42 PolarHBondContact O-N 3.12Å; H38-M117 HydrophobicContact CB-CE 4.34Å
39L97.2Very high95.4Very high0 Ų062.8 Ų62.80%031%0.311CS..Hα-helixtrans-60.1-48.1-175.3176.263.9000113.5I35 H42 L43 V94 V97 M98 L113 M117I35-L39 WeakPolarHBondContact O-CB 3.45Å; I35-L39 PolarHBondContact O-N 3.27Å; L39-H42 PolarHBondContact O-N 3.48Å; L39-L43 HydrophobicContact CD1-CD1 3.86Å; L39-L43 HydrophobicContact CD1-CG 4.1Å; L39-L43 HydrophobicContact CG-CD1 4.07Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 3.26Å; L39-V94 HydrophobicContact CD2-CB 4.3Å; L39-V94 HydrophobicContact CD2-CG1 4.19Å; L39-V94 HydrophobicContact CD2-CG2 4.28Å; L39-V94 HydrophobicContact CG-CG2 4.17Å; L39-V97 HydrophobicContact CD1-CG1 4.33Å; L39-V97 HydrophobicContact CD2-CB 3.63Å; L39-V97 HydrophobicContact CD2-CG1 3.44Å; L39-V97 VanDerWaalsContact CD2-CG1 3.44Å; L39-V97 HydrophobicContact CD2-CG2 4.35Å; L39-M98 HydrophobicContact CB-CE 4.24Å; L39-M98 HydrophobicContact CD2-CE 3.92Å; L39-M98 HydrophobicContact CD2-SD 4.49Å; L39-L113 HydrophobicContact CD1-CD2 3.79Å; L39-M117 HydrophobicContact CB-CE 4.13Å; L39-M117 HydrophobicContact CD1-CE 4.33Å; L39-M117 HydrophobicContact CD1-SD 3.74Å
40E96.4Very high95.6Very high115 Ų11564.4 Ų64.454%0.53732%0.32SS..Hα-helixtrans-64.9-45.6-177.7-174.8170.6-16900111.4H38 H42 L43 S44 V94H38-E40 PolarHBondContact O-N 3.2Å; E40-H42 VanDerWaalsContact C-N 3.33Å; E40-H42 PolarHBondContact O-N 3.1Å; E40-L43 PolarHBondContact O-N 2.98Å; E40-S44 WeakPolarHBondContact O-CB 3.25Å; E40-S44 PolarHBondContact O-N 3.4Å; E40-S44 PolarHBondContact O-OG 2.99Å; E40-V94 HydrophobicContact CB-CG2 4.12Å; E40-V94 HydrophobicContact CG-CG2 4.43Å
41D96.4Very high95.7Very high105 Ų10564.2 Ų64.256%0.56132%0.317SS*.Hα-helixtrans-60.5-42.2175-73.9-8.8000111.7T45D41-T45 VanDerWaalsContact O-CB 3.24Å; D41-T45 WeakPolarHBondContact O-CB 3.42Å; D41-T45 PolarHBondContact O-N 2.94Å; D41-T45 PolarHBondContact O-OG1 3.44Å
42H96.8Very high95.8Very high27 Ų2763.4 Ų63.413%0.12531%0.313CS..Hα-helixtrans-63.3-51.5178.6-178.781.1000111H38 L39 E40 S44 T45 H46 M117H38-H42 VanDerWaalsContact O-CB 3.25Å; H38-H42 WeakPolarHBondContact O-CB 3.46Å; H38-H42 PolarHBondContact O-N 3.12Å; L39-H42 PolarHBondContact O-N 3.48Å; E40-H42 VanDerWaalsContact C-N 3.33Å; E40-H42 PolarHBondContact O-N 3.1Å; H42-S44 VanDerWaalsContact C-N 3.32Å; H42-S44 PolarHBondContact O-N 3.38Å; H42-T45 PolarHBondContact O-N 3.21Å; H42-H46 AromaticContact CE1-CD2 3.44Å; H42-H46 PolarHBondContact CE1-CD2 3.37Å; H42-H46 VanDerWaalsContact CE1-CD2 3.44Å; H42-H46 AromaticContact CE1-NE2 3.93Å; H42-H46 AromaticContact CG-CD2 3.82Å; H42-H46 AromaticContact ND1-CD2 3.23Å; H42-H46 PolarHBondContact ND1-CD2 3.1Å; H42-H46 AromaticContact ND1-NE2 3.65Å; H42-H46 WeakPolarHBondContact O-CB 3.32Å; H42-H46 PolarHBondContact O-CD2 3.03Å; H42-H46 PolarHBondContact O-N 3.18Å; H42-M117 HydrophobicContact CB-CE 4.11Å; H42-M117 HydrophobicContact CB-CG 4.39Å; H42-M117 VanDerWaalsContact CD2-CG 3.47Å; H42-M117 WeakPolarHBondContact CD2-CG 3.41Å
43L96Very high96Very high0 Ų063.6 Ų63.60%031%0.314CS..Hα-helixtrans-60.8-42.6178.6-70.5171.9000111.6L39 E40 T45 W47 V56 I90 V93 V94 L113L39-L43 HydrophobicContact CD1-CD1 3.86Å; L39-L43 HydrophobicContact CD1-CG 4.1Å; L39-L43 HydrophobicContact CG-CD1 4.07Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 3.26Å; E40-L43 PolarHBondContact O-N 2.98Å; L43-T45 VanDerWaalsContact C-N 3.34Å; L43-T45 PolarHBondContact O-N 2.88Å; L43-W47 HydrophobicContact CB-CE3 4.49Å; L43-W47 VanDerWaalsContact O-CA 3.29Å; L43-W47 WeakPolarHBondContact O-CA 3.34Å; L43-W47 VanDerWaalsContact O-CB 3.24Å; L43-W47 WeakPolarHBondContact O-CB 3.44Å; L43-W47 PolarHBondContact O-N 3.08Å; L43-V56 HydrophobicContact CD2-CG2 4.17Å; L43-I90 HydrophobicContact CB-CG1 4.46Å; L43-I90 HydrophobicContact CB-CG2 3.95Å; L43-I90 HydrophobicContact CD1-CG2 4.33Å; L43-V93 HydrophobicContact CD1-CB 4.09Å; L43-V93 HydrophobicContact CD1-CG1 3.66Å; L43-V93 HydrophobicContact CD2-CG1 4.32Å; L43-V94 HydrophobicContact CD1-CG2 3.78Å; L43-L113 HydrophobicContact CD2-CD1 4.47Å
44S95Very high96Very high61 Ų6168.3 Ų68.343%0.42733%0.334SS..Hα-helixtrans-66.4-35.8179-53.80000112.6E40 H42E40-S44 WeakPolarHBondContact O-CB 3.25Å; E40-S44 PolarHBondContact O-N 3.4Å; E40-S44 PolarHBondContact O-OG 2.99Å; H42-S44 VanDerWaalsContact C-N 3.32Å; H42-S44 PolarHBondContact O-N 3.38Å
45T95.8Very high95.9Very high103 Ų10366.8 Ų66.863%0.63233%0.328SS*.Hα-helixtrans-76.3-39-179.3-58.30000112D41 H42 L43D41-T45 VanDerWaalsContact O-CB 3.24Å; D41-T45 WeakPolarHBondContact O-CB 3.42Å; D41-T45 PolarHBondContact O-N 2.94Å; D41-T45 PolarHBondContact O-OG1 3.44Å; H42-T45 PolarHBondContact O-N 3.21Å; L43-T45 VanDerWaalsContact C-N 3.34Å; L43-T45 PolarHBondContact O-N 2.88Å
46H95.6Very high95.8Very high49 Ų4967.1 Ų67.123%0.22733%0.33CS..Hα-helixtrans-105.36.1-170.5-60.2-74.6000113.4H42 E48 E49 C52H42-H46 AromaticContact CE1-CD2 3.44Å; H42-H46 PolarHBondContact CE1-CD2 3.37Å; H42-H46 VanDerWaalsContact CE1-CD2 3.44Å; H42-H46 AromaticContact CE1-NE2 3.93Å; H42-H46 AromaticContact CG-CD2 3.82Å; H42-H46 AromaticContact ND1-CD2 3.23Å; H42-H46 PolarHBondContact ND1-CD2 3.1Å; H42-H46 AromaticContact ND1-NE2 3.65Å; H42-H46 WeakPolarHBondContact O-CB 3.32Å; H42-H46 PolarHBondContact O-CD2 3.03Å; H42-H46 PolarHBondContact O-N 3.18Å; H46-E48 PolarHBondContact O-N 3Å; H46-E49 HydrophobicContact CB-CG 4.32Å; H46-E49 IonicContact CE1-OE1 3.89Å; H46-E49 IonicContact CG-OE1 2.66Å; H46-E49 IonicContact CG-OE2 3.91Å; H46-E49 IonicContact ND1-OE1 3.71Å; H46-E49 PolarHBondContact ND1-OE1 3.28Å; H46-E49 IonicContact ND1-OE2 2.69Å; H46-E49 PolarHBondContact ND1-OE2 3.42Å; H46-E49 VanDerWaalsContact ND1-OE2 3.15Å; H46-E49 VanDerWaalsContact O-CB 3.28Å; H46-E49 WeakPolarHBondContact O-CB 3.42Å; H46-E49 PolarHBondContact O-N 3.44Å; H46-C52 HydrophobicContact CB-CB 4.09Å; H46-C52 WeakPolarHBondContact O-CB 3.19Å
47W94.6Very high95.7Very high33 Ų3366.4 Ų66.413%0.12533%0.332CS..THydrogen-bonded Turntrans-50.7-38.9-170.8-168.3-111.1000114.5L43 K53 V56 E86 A89 I90L43-W47 HydrophobicContact CB-CE3 4.49Å; L43-W47 VanDerWaalsContact O-CA 3.29Å; L43-W47 WeakPolarHBondContact O-CA 3.34Å; L43-W47 VanDerWaalsContact O-CB 3.24Å; L43-W47 WeakPolarHBondContact O-CB 3.44Å; L43-W47 PolarHBondContact O-N 3.08Å; W47-K53 WeakPolarHBondContact O-CG 3.2Å; W47-V56 HydrophobicContact CE3-CG2 4.35Å; W47-V56 HydrophobicContact CH2-CG1 4.05Å; W47-V56 HydrophobicContact CH2-CG2 4.17Å; W47-V56 HydrophobicContact CZ3-CG1 4.39Å; W47-V56 HydrophobicContact CZ3-CG2 3.67Å; W47-E86 HydrophobicContact CD2-CG 4.37Å; W47-E86 HydrophobicContact CG-CG 4.13Å; W47-A89 HydrophobicContact CH2-CB 3.85Å; W47-A89 HydrophobicContact CZ2-CB 3.71Å; W47-I90 HydrophobicContact CD2-CD1 4.16Å; W47-I90 HydrophobicContact CD2-CG1 3.87Å; W47-I90 HydrophobicContact CE3-CD1 4.09Å; W47-I90 HydrophobicContact CE3-CG1 3.45Å; W47-I90 VanDerWaalsContact CE3-CG1 3.45Å; W47-I90 HydrophobicContact CG-CD1 4.45Å; W47-I90 HydrophobicContact CH2-CG1 3.89Å; W47-I90 HydrophobicContact CZ2-CG1 4.29Å; W47-I90 HydrophobicContact CZ3-CB 4.4Å; W47-I90 HydrophobicContact CZ3-CG1 3.46Å; W47-I90 VanDerWaalsContact CZ3-CG1 3.46Å
48E94.3Very high95.6Very high118 Ų11864.5 Ų64.555%0.55132%0.322SS*.THydrogen-bonded Turntrans-83.8-8.9-177.5-71.6-56.8133.900114.3H46 K53H46-E48 PolarHBondContact O-N 3Å; E48-K53 WeakPolarHBondContact O-CE 3.38Å; E48-K53 PolarHBondContact O-NZ 3.48Å; E48-K53 WeakPolarHBondContact OE2-CE 3.37Å; E48-K53 IonicContact OE2-NZ 3.89Å; E48-K53 PolarHBondContact OE2-NZ 2.62Å
49E96.7Very high95.3Very high94 Ų9461.9 Ų61.944%0.43931%0.31SS..SBendtrans-73.7140.4178.7-60.4-179.2-175.400111.4H46 E51 C52 K53H46-E49 HydrophobicContact CB-CG 4.32Å; H46-E49 IonicContact CE1-OE1 3.89Å; H46-E49 IonicContact CG-OE1 2.66Å; H46-E49 IonicContact CG-OE2 3.91Å; H46-E49 IonicContact ND1-OE1 3.71Å; H46-E49 PolarHBondContact ND1-OE1 3.28Å; H46-E49 IonicContact ND1-OE2 2.69Å; H46-E49 PolarHBondContact ND1-OE2 3.42Å; H46-E49 VanDerWaalsContact ND1-OE2 3.15Å; H46-E49 VanDerWaalsContact O-CB 3.28Å; H46-E49 WeakPolarHBondContact O-CB 3.42Å; H46-E49 PolarHBondContact O-N 3.44Å; E49-E51 PolarHBondContact O-N 3.08Å; E49-C52 HydrophobicContact CB-CB 4.43Å; E49-C52 PolarHBondContact O-N 2.83Å; E49-K53 WeakPolarHBondContact O-CG 3.37Å; E49-K53 PolarHBondContact O-N 3.43Å
50D97.4Very high95Very high123 Ų12366.3 Ų66.366%0.65833%0.329SS*.Hα-helixtrans-59.5-34.4-178.2-72.8-26.6000112.6Q54D50-Q54 VanDerWaalsContact O-CG 3.22Å; D50-Q54 WeakPolarHBondContact O-CG 3.41Å; D50-Q54 PolarHBondContact O-N 3.22Å; D50-Q54 PolarHBondContact O-NE2 2.95Å
51E96Very high94.7Very high74 Ų7467 Ų6735%0.34633%0.33SS..Hα-helixtrans-67.6-48.8177.9-175.7169.4-108.100111.6E49 K53 Q54 D55 H116 R119E49-E51 PolarHBondContact O-N 3.08Å; E51-K53 VanDerWaalsContact C-N 3.31Å; E51-K53 PolarHBondContact O-N 3.08Å; E51-Q54 WeakPolarHBondContact O-CB 3.26Å; E51-Q54 PolarHBondContact O-N 2.79Å; E51-Q54 VanDerWaalsContact O-N 3.12Å; E51-D55 PolarHBondContact O-N 3.28Å; E51-H116 WeakPolarHBondContact CG-CE1 3.08Å; E51-H116 WeakPolarHBondContact CG-ND1 3.47Å; E51-H116 IonicContact OE1-CD2 2.6Å; E51-H116 IonicContact OE1-CE1 3.7Å; E51-H116 IonicContact OE1-ND1 3.13Å; E51-H116 IonicContact OE1-NE2 2.72Å; E51-H116 PolarHBondContact OE1-NE2 3.47Å; E51-H116 IonicContact OE2-CG 3.89Å; E51-R119 IonicContact OE1-CZ 2.9Å; E51-R119 IonicContact OE1-NH1 3.93Å; E51-R119 IonicContact OE1-NH2 3.74Å; E51-R119 PolarHBondContact OE1-NH2 2.9Å; E51-R119 IonicContact OE2-CZ 3.48Å; E51-R119 IonicContact OE2-NH2 3.78Å; E51-R119 PolarHBondContact OE2-NH2 2.67Å
52C95.4Very high94.4Very high3 Ų364.2 Ų64.22%0.0231%0.314CS..Hα-helixtrans-62-39.5175.8-175.60000111.5H46 E49 Q54 D55 V56H46-C52 HydrophobicContact CB-CB 4.09Å; H46-C52 WeakPolarHBondContact O-CB 3.19Å; E49-C52 HydrophobicContact CB-CB 4.43Å; E49-C52 PolarHBondContact O-N 2.83Å; C52-Q54 VanDerWaalsContact C-N 3.31Å; C52-Q54 PolarHBondContact O-N 3.01Å; C52-D55 WeakPolarHBondContact O-CB 3.48Å; C52-D55 PolarHBondContact O-N 2.99Å; C52-V56 VanDerWaalsContact O-CG2 3.3Å; C52-V56 WeakPolarHBondContact O-CG2 3.25Å; C52-V56 PolarHBondContact O-N 3.11Å
53K94Very high93.9Very high86 Ų8664.1 Ų64.137%0.37431%0.314SS..Hα-helixtrans-60.4-39.7174.3-76169.5173.3158.70112.2W47 E48 E49 E51 H57W47-K53 WeakPolarHBondContact O-CG 3.2Å; E48-K53 WeakPolarHBondContact O-CE 3.38Å; E48-K53 PolarHBondContact O-NZ 3.48Å; E48-K53 WeakPolarHBondContact OE2-CE 3.37Å; E48-K53 IonicContact OE2-NZ 3.89Å; E48-K53 PolarHBondContact OE2-NZ 2.62Å; E49-K53 WeakPolarHBondContact O-CG 3.37Å; E49-K53 PolarHBondContact O-N 3.43Å; E51-K53 VanDerWaalsContact C-N 3.31Å; E51-K53 PolarHBondContact O-N 3.08Å; K53-H57 VanDerWaalsContact O-CB 3.3Å; K53-H57 WeakPolarHBondContact O-CB 3.36Å; K53-H57 PolarHBondContact O-N 2.81Å
54Q95.8Very high93.4Very high121 Ų12169.4 Ų69.457%0.56534%0.338SS*.Hα-helixtrans-67.1-42.3175.5-72.9168.43800111.8D50 E51 C52 H57 L58D50-Q54 VanDerWaalsContact O-CG 3.22Å; D50-Q54 WeakPolarHBondContact O-CG 3.41Å; D50-Q54 PolarHBondContact O-N 3.22Å; D50-Q54 PolarHBondContact O-NE2 2.95Å; E51-Q54 WeakPolarHBondContact O-CB 3.26Å; E51-Q54 PolarHBondContact O-N 2.79Å; E51-Q54 VanDerWaalsContact O-N 3.12Å; C52-Q54 VanDerWaalsContact C-N 3.31Å; C52-Q54 PolarHBondContact O-N 3.01Å; Q54-H57 PolarHBondContact O-N 2.92Å; Q54-L58 WeakPolarHBondContact O-CG 3.26Å; Q54-L58 PolarHBondContact O-N 2.85Å
55D95.1Very high93Very high1 Ų170 Ų701%0.00533%0.334CS..Hα-helixtrans-59-50.6175.4-68.5-22.2000111.4E51 C52 H57 L58 L59 Q112 L113 H116E51-D55 PolarHBondContact O-N 3.28Å; C52-D55 WeakPolarHBondContact O-CB 3.48Å; C52-D55 PolarHBondContact O-N 2.99Å; D55-H57 VanDerWaalsContact C-N 3.3Å; D55-H57 PolarHBondContact O-N 2.95Å; D55-L58 PolarHBondContact O-N 3.38Å; D55-L59 WeakPolarHBondContact O-CG 3.26Å; D55-L59 PolarHBondContact O-N 3.2Å; D55-Q112 WeakPolarHBondContact OD1-CG 3.14Å; D55-Q112 PolarHBondContact OD1-NE2 2.98Å; D55-L113 HydrophobicContact CB-CB 4.29Å; D55-L113 HydrophobicContact CB-CD1 4.15Å; D55-H116 VanDerWaalsContact CG-ND1 3.3Å; D55-H116 IonicContact OD1-CE1 2.85Å; D55-H116 PolarHBondContact OD1-CE1 3.39Å; D55-H116 IonicContact OD1-ND1 3.15Å; D55-H116 PolarHBondContact OD1-ND1 2.82Å; D55-H116 VanDerWaalsContact OD1-ND1 3.14Å; D55-H116 IonicContact OD2-CE1 2.7Å; D55-H116 IonicContact OD2-CG 3.75Å; D55-H116 IonicContact OD2-ND1 3.56Å; D55-H116 PolarHBondContact OD2-ND1 2.93Å
56V94.6Very high92.5Very high8 Ų865.1 Ų65.15%0.04831%0.305CS..Hα-helixtrans-60.7-40.8177.7171.80000110.8L43 W47 C52 L59 K60 V93L43-V56 HydrophobicContact CD2-CG2 4.17Å; W47-V56 HydrophobicContact CE3-CG2 4.35Å; W47-V56 HydrophobicContact CH2-CG1 4.05Å; W47-V56 HydrophobicContact CH2-CG2 4.17Å; W47-V56 HydrophobicContact CZ3-CG1 4.39Å; W47-V56 HydrophobicContact CZ3-CG2 3.67Å; C52-V56 VanDerWaalsContact O-CG2 3.3Å; C52-V56 WeakPolarHBondContact O-CG2 3.25Å; C52-V56 PolarHBondContact O-N 3.11Å; V56-L59 PolarHBondContact O-N 3.33Å; V56-K60 HydrophobicContact CG1-CD 4.24Å; V56-K60 WeakPolarHBondContact O-CG 3.4Å; V56-K60 PolarHBondContact O-N 3.04Å; V56-V93 HydrophobicContact CG1-CG2 3.94Å; V56-V93 HydrophobicContact CG2-CG2 4.37Å
57H92.9Very high91.9Very high122 Ų12267.5 Ų67.557%0.56532%0.317SS*.Hα-helixtrans-62.2-44.9176.4-179.475.5000112.2K53 Q54 D55 K60 K61K53-H57 VanDerWaalsContact O-CB 3.3Å; K53-H57 WeakPolarHBondContact O-CB 3.36Å; K53-H57 PolarHBondContact O-N 2.81Å; Q54-H57 PolarHBondContact O-N 2.92Å; D55-H57 VanDerWaalsContact C-N 3.3Å; D55-H57 PolarHBondContact O-N 2.95Å; H57-K60 PolarHBondContact O-N 3.45Å; H57-K61 PolarHBondContact O-N 3.49Å
58L93.4Very high91.5Very high56 Ų5674.9 Ų74.929%0.29335%0.345SS..Hα-helixtrans-65.4-39.6176.7-72.6-177.6000112.2Q54 D55 K61 Q62 A109 Q112Q54-L58 WeakPolarHBondContact O-CG 3.26Å; Q54-L58 PolarHBondContact O-N 2.85Å; D55-L58 PolarHBondContact O-N 3.38Å; L58-K61 PolarHBondContact O-N 3.32Å; L58-Q62 WeakPolarHBondContact O-CB 3.24Å; L58-Q62 PolarHBondContact O-N 2.96Å; L58-A109 HydrophobicContact CB-CB 3.91Å; L58-Q112 VanDerWaalsContact CD1-OE1 3.27Å
59L92.9Very high91Very high1 Ų173.4 Ų73.41%0.00534%0.338CS..Hα-helixtrans-62.8-42.4175.6-74.7166.6000111.5D55 V56 Q62 I63 V93 V97 A109 L113D55-L59 WeakPolarHBondContact O-CG 3.26Å; D55-L59 PolarHBondContact O-N 3.2Å; V56-L59 PolarHBondContact O-N 3.33Å; L59-Q62 WeakPolarHBondContact O-CB 3.32Å; L59-Q62 PolarHBondContact O-N 3.24Å; L59-I63 WeakPolarHBondContact O-CG1 3.33Å; L59-I63 PolarHBondContact O-N 3.14Å; L59-V93 HydrophobicContact CD1-CG1 3.92Å; L59-V97 HydrophobicContact CD1-CG2 3.92Å; L59-V97 HydrophobicContact CD2-CG2 4.22Å; L59-A109 HydrophobicContact CD2-CB 3.9Å; L59-A109 HydrophobicContact CG-CB 4.19Å; L59-L113 HydrophobicContact CD1-CB 4.41Å; L59-L113 HydrophobicContact CD1-CD2 3.65Å
60K90.4Very high90.1Very high92 Ų9276.2 Ų76.240%0.436%0.356SS..Hα-helixtrans-61.1-45.7174.4-75.1178.5176.7-178.50112.1V56 H57 Q62 I63 E64V56-K60 HydrophobicContact CG1-CD 4.24Å; V56-K60 WeakPolarHBondContact O-CG 3.4Å; V56-K60 PolarHBondContact O-N 3.04Å; H57-K60 PolarHBondContact O-N 3.45Å; K60-Q62 VanDerWaalsContact C-N 3.29Å; K60-Q62 PolarHBondContact O-N 3.43Å; K60-I63 WeakPolarHBondContact O-CB 3.2Å; K60-I63 PolarHBondContact O-N 2.83Å; K60-E64 PolarHBondContact O-N 3.03Å; K60-E64 VanDerWaalsContact O-N 3.09Å
61K89.6Confident89.2Confident131 Ų13177.8 Ų77.857%0.5735%0.353SS*.Hα-helixtrans-61.3-38175.4-172.6179.3179.6-178.70112.3H57 L58 E64 E65H57-K61 PolarHBondContact O-N 3.49Å; L58-K61 PolarHBondContact O-N 3.32Å; K61-E64 PolarHBondContact O-N 3.32Å; K61-E65 PolarHBondContact O-N 3.05Å; K61-E65 VanDerWaalsContact O-N 3.17Å
62Q89.3Confident87.8Confident46 Ų4675.7 Ų75.722%0.21535%0.348CS..Hα-helixtrans-64.8-40.7176-178.258.965.100111.7L58 L59 K60 E65 D66 A109L58-Q62 WeakPolarHBondContact O-CB 3.24Å; L58-Q62 PolarHBondContact O-N 2.96Å; L59-Q62 WeakPolarHBondContact O-CB 3.32Å; L59-Q62 PolarHBondContact O-N 3.24Å; K60-Q62 VanDerWaalsContact C-N 3.29Å; K60-Q62 PolarHBondContact O-N 3.43Å; Q62-E65 PolarHBondContact O-N 2.94Å; Q62-D66 PolarHBondContact NE2-OD1 2.84Å; Q62-D66 PolarHBondContact NE2-OD2 3.44Å; Q62-D66 WeakPolarHBondContact O-CB 3.48Å; Q62-D66 PolarHBondContact O-N 3.46Å; Q62-A109 HydrophobicContact CB-CB 3.98Å; Q62-A109 HydrophobicContact CG-CB 4.41Å
63I86.6Confident86.4Confident24 Ų2476 Ų7612%0.12335%0.35CS..Hα-helixtrans-59.7-47.3174.4-67164.1000110.8L59 K60 E65 D66 M67 N96L59-I63 WeakPolarHBondContact O-CG1 3.33Å; L59-I63 PolarHBondContact O-N 3.14Å; K60-I63 WeakPolarHBondContact O-CB 3.2Å; K60-I63 PolarHBondContact O-N 2.83Å; I63-E65 VanDerWaalsContact C-N 3.29Å; I63-E65 PolarHBondContact O-N 2.88Å; I63-D66 PolarHBondContact O-N 2.95Å; I63-M67 HydrophobicContact CG2-CE 3.77Å; I63-M67 HydrophobicContact CG2-CG 4.4Å; I63-M67 HydrophobicContact CG2-SD 4.33Å; I63-M67 WeakPolarHBondContact O-CG 3.28Å; I63-M67 PolarHBondContact O-N 3.02Å; I63-N96 HydrophobicContact CD1-CB 4Å; I63-N96 HydrophobicContact CG1-CB 4.47Å; I63-N96 WeakPolarHBondContact CG1-OD1 3.4Å
64E86Confident84.7Confident111 Ų11176.6 Ų76.652%0.51936%0.363SS..Hα-helixtrans-58.1-42.1178.8-69.9176.2-172.200112.1K60 K61 M67 R68K60-E64 PolarHBondContact O-N 3.03Å; K60-E64 VanDerWaalsContact O-N 3.09Å; K61-E64 PolarHBondContact O-N 3.32Å; E64-M67 PolarHBondContact O-N 3.1Å; E64-R68 WeakPolarHBondContact O-CG 3.44Å; E64-R68 PolarHBondContact O-N 3.27Å; E64-R68 VanDerWaalsContact O-N 3.12Å
65E86.8Confident82.7Confident73 Ų7374.5 Ų74.534%0.34136%0.358SS..Hα-helixtrans-67.8-41.7176.6-174.157.9-155.300111.7K61 Q62 I63 M67 R68 Q69K61-E65 PolarHBondContact O-N 3.05Å; K61-E65 VanDerWaalsContact O-N 3.17Å; Q62-E65 PolarHBondContact O-N 2.94Å; I63-E65 VanDerWaalsContact C-N 3.29Å; I63-E65 PolarHBondContact O-N 2.88Å; E65-M67 VanDerWaalsContact C-N 3.3Å; E65-M67 PolarHBondContact O-N 3.39Å; E65-R68 WeakPolarHBondContact O-CB 3.28Å; E65-R68 PolarHBondContact O-N 2.85Å; E65-R68 IonicContact OE2-NH1 3.61Å; E65-Q69 WeakPolarHBondContact O-CG 3.38Å; E65-Q69 PolarHBondContact O-N 3.3Å; E65-Q69 PolarHBondContact OE1-NE2 3.47Å
66D85.2Confident80.8Confident2 Ų278 Ų781%0.01137%0.374CS..Hα-helixtrans-63.4-35.6175.9-77.3-44.4000112.5Q62 I63 Q69 N70 R71 A72 R105Q62-D66 PolarHBondContact NE2-OD1 2.84Å; Q62-D66 PolarHBondContact NE2-OD2 3.44Å; Q62-D66 WeakPolarHBondContact O-CB 3.48Å; Q62-D66 PolarHBondContact O-N 3.46Å; I63-D66 PolarHBondContact O-N 2.95Å; D66-Q69 CarbonylContact O-C 3.6Å; D66-Q69 PolarHBondContact O-N 3.01Å; D66-N70 PolarHBondContact O-N 3.06Å; D66-N70 VanDerWaalsContact O-N 3.09Å; D66-R71 HydrophobicContact CB-CB 4.47Å; D66-R71 PolarHBondContact O-N 3.39Å; D66-A72 HydrophobicContact CB-CB 4.24Å; D66-A72 PolarHBondContact O-N 2.94Å; D66-R105 IonicContact OD1-CZ 3.24Å; D66-R105 VanDerWaalsContact OD1-CZ 3.24Å; D66-R105 IonicContact OD1-NH1 3.06Å; D66-R105 PolarHBondContact OD1-NH1 3.15Å; D66-R105 IonicContact OD1-NH2 2.66Å; D66-R105 PolarHBondContact OD1-NH2 2.8Å; D66-R105 IonicContact OD2-CZ 3.36Å; D66-R105 IonicContact OD2-NH1 3.73Å; D66-R105 IonicContact OD2-NH2 2.84Å; D66-R105 PolarHBondContact OD2-NH2 3.36Å
67M83.3Confident78.4Confident98 Ų9882.7 Ų82.748%0.48340%0.403SS..Hα-helixtrans-64.4-45173.4-74.2-175.6176.700111.2I63 E64 E65 Q69 N70 A72 H76I63-M67 HydrophobicContact CG2-CE 3.77Å; I63-M67 HydrophobicContact CG2-CG 4.4Å; I63-M67 HydrophobicContact CG2-SD 4.33Å; I63-M67 WeakPolarHBondContact O-CG 3.28Å; I63-M67 PolarHBondContact O-N 3.02Å; E64-M67 PolarHBondContact O-N 3.1Å; E65-M67 VanDerWaalsContact C-N 3.3Å; E65-M67 PolarHBondContact O-N 3.39Å; M67-Q69 PolarHBondContact O-N 3.46Å; M67-N70 PolarHBondContact O-N 3.49Å; M67-N70 VanDerWaalsContact O-N 3.08Å; M67-A72 HydrophobicContact CB-CB 4.27Å; M67-A72 HydrophobicContact CG-CB 3.49Å; M67-A72 VanDerWaalsContact CG-CB 3.49Å; M67-H76 HydrophobicContact CE-CB 4.2Å; M67-H76 VanDerWaalsContact CE-CD2 3.43Å; M67-H76 WeakPolarHBondContact CE-CD2 3.41Å
68R85.6Confident76Confident189 Ų18983.1 Ų83.171%0.71341%0.414SS*.Hα-helixtrans-60.6-33.3175.8-71.3174.1-177169.43.9112.5E64 E65 N70E64-R68 WeakPolarHBondContact O-CG 3.44Å; E64-R68 PolarHBondContact O-N 3.27Å; E64-R68 VanDerWaalsContact O-N 3.12Å; E65-R68 WeakPolarHBondContact O-CB 3.28Å; E65-R68 PolarHBondContact O-N 2.85Å; E65-R68 IonicContact OE2-NH1 3.61Å; R68-N70 VanDerWaalsContact C-N 3.34Å
69Q84.1Confident73.4Confident86 Ų8686.2 Ų86.240%0.40243%0.431SS..THydrogen-bonded Turntrans-89.13.7178.7-63.9-176.11000113.8E65 D66 M67 R71E65-Q69 WeakPolarHBondContact O-CG 3.38Å; E65-Q69 PolarHBondContact O-N 3.3Å; E65-Q69 PolarHBondContact OE1-NE2 3.47Å; D66-Q69 CarbonylContact O-C 3.6Å; D66-Q69 PolarHBondContact O-N 3.01Å; M67-Q69 PolarHBondContact O-N 3.46Å; Q69-R71 VanDerWaalsContact C-N 3.25Å; Q69-R71 HydrophobicContact CB-CG 4.29Å; Q69-R71 PolarHBondContact O-N 3.39Å
70N78.7Confident71Confident154 Ų15495 Ų9582%0.82447%0.472SS*.THydrogen-bonded Turntrans54.839.3-175.9-155.760.3000113.3D66 M67 R68D66-N70 PolarHBondContact O-N 3.06Å; D66-N70 VanDerWaalsContact O-N 3.09Å; M67-N70 PolarHBondContact O-N 3.49Å; M67-N70 VanDerWaalsContact O-N 3.08Å; R68-N70 VanDerWaalsContact C-N 3.34Å
71R76.9Confident69.3Low155 Ų15595.4 Ų95.459%0.58548%0.483SS*.  trans-120.66.9-178.9-71.3175.8177.1-178.2-4.4113D66 Q69 W99D66-R71 HydrophobicContact CB-CB 4.47Å; D66-R71 PolarHBondContact O-N 3.39Å; Q69-R71 VanDerWaalsContact C-N 3.25Å; Q69-R71 HydrophobicContact CB-CG 4.29Å; Q69-R71 PolarHBondContact O-N 3.39Å; R71-W99 WeakPolarHBondContact O-CH2 3.37Å; R71-W99 VanDerWaalsContact O-CZ2 3.3Å; R71-W99 WeakPolarHBondContact O-CZ2 3.44Å
72A67.2Low67.4Low30 Ų3093.4 Ų93.425%0.24848%0.481CS..SBendtrans-72.8162.1-173.700000114D66 M67D66-A72 HydrophobicContact CB-CB 4.24Å; D66-A72 PolarHBondContact O-N 2.94Å; M67-A72 HydrophobicContact CB-CB 4.27Å; M67-A72 HydrophobicContact CG-CB 3.49Å; M67-A72 VanDerWaalsContact CG-CB 3.49Å
73C65.2Low65.7Low9 Ų998.5 Ų98.56%0.06151%0.505CS..  trans-58.6128.8172.8-173.80000110.9V75 H76 W99C73-V75 PolarHBondContact O-N 3.15Å; C73-V75 VanDerWaalsContact O-N 3.17Å; C73-H76 PolarHBondContact O-CD2 3.23Å; C73-W99 HydrophobicContact CB-CB 4.33Å; C73-W99 HydrophobicContact CB-CD2 3.65Å; C73-W99 HydrophobicContact CB-CE3 3.86Å; C73-W99 HydrophobicContact CB-CG 3.83Å; C73-W99 HydrophobicContact CB-CZ3 4.49Å
74P58.8Low64.3Low99 Ų99101.7 Ų101.764%0.64353%0.525SS*.G310 helixtrans-64.3-15.4177.1-20.731.7000114.5H76 T77P74-H76 VanDerWaalsContact C-N 3.34Å; P74-H76 PolarHBondContact O-N 3.09Å; P74-T77 PolarHBondContact O-OG1 3.46Å
75V54.4Low64Low78 Ų78103.7 Ų103.747%0.47354%0.54SS..G310 helixtrans-84.7-3.6-166.8-171.50000113.1C73 T77C73-V75 PolarHBondContact O-N 3.15Å; C73-V75 VanDerWaalsContact O-N 3.17Å; V75-T77 CarbonylContact O-C 3.5Å; V75-T77 PolarHBondContact O-N 3.18Å
76H54.9Low63.9Low73 Ų73104.1 Ų104.134%0.33854%0.542SS..G310 helixtrans-64.66172.5-66.6-58.6000114.6M67 C73 P74M67-H76 HydrophobicContact CE-CB 4.2Å; M67-H76 VanDerWaalsContact CE-CD2 3.43Å; M67-H76 WeakPolarHBondContact CE-CD2 3.41Å; C73-H76 PolarHBondContact O-CD2 3.23Å; P74-H76 VanDerWaalsContact C-N 3.34Å; P74-H76 PolarHBondContact O-N 3.09Å
77T44.7Very low63.9Low108 Ų108109 Ų10966%0.66356%0.564SS**  trans-107.7102.4163.151.80000109.6P74 V75P74-T77 PolarHBondContact O-OG1 3.46Å; V75-T77 CarbonylContact O-C 3.5Å; V75-T77 PolarHBondContact O-N 3.18Å
78V41.3Very low64Low130 Ų130108.8 Ų108.879%0.78856%0.561SS**  161.7137.6129.9163.80000113.9
79D39.2Very low64.1Low122 Ų122100.5 Ų100.565%0.65253%0.533SS*.  trans79.9122.1157.2-101.9-40.2000123.9
80Q42.1Very low64.5Low184 Ų18496.8 Ų96.886%0.8652%0.515SS*.  trans-96.928.8-178.8-68.8-173-23.900112.9
81T54.6Low65.1Low102 Ų10295 Ų9563%0.62650%0.497SS*.  trans-12297.3-179.751.10000109.4
82V50.8Low65.7Low88 Ų8891.6 Ų91.653%0.53349%0.488SS..SBendtrans171153.4147.2160.10000109.5
83H53.3Low66.9Low154 Ų15490.4 Ų90.471%0.71348%0.477SS*.SBendtrans-75.3144-160.9-65.6-91.3000114.4
84T58.2Low68.3Low91 Ų9190.8 Ų90.856%0.55848%0.479SS*.  trans67.4131.5-179.974.90000116.5E86 E87T84-E86 PolarHBondContact O-N 2.74Å; T84-E87 WeakPolarHBondContact OG1-CG 3.39Å
85D79.1Confident69.9Low153 Ų15389.8 Ų89.882%0.81847%0.466SS*.Hα-helixtrans-62.7-24.8-177.8-72.9-31.5000112.9A89D85-A89 WeakPolarHBondContact O-CB 3.38Å; D85-A89 PolarHBondContact O-N 3.48Å; D85-A89 VanDerWaalsContact O-N 3.1Å
86E83.6Confident71.6Confident82 Ų8286.2 Ų86.238%0.38345%0.445SS..Hα-helixtrans-73.3-53.4-179.1178.6170.113600113W47 T84 K88 A89 I90W47-E86 HydrophobicContact CD2-CG 4.37Å; W47-E86 HydrophobicContact CG-CG 4.13Å; T84-E86 PolarHBondContact O-N 2.74Å; E86-K88 PolarHBondContact O-N 3.14Å; E86-A89 WeakPolarHBondContact O-CB 3.16Å; E86-A89 PolarHBondContact O-N 2.69Å; E86-I90 HydrophobicContact CG-CD1 3.91Å; E86-I90 WeakPolarHBondContact O-CG1 3.46Å; E86-I90 PolarHBondContact O-N 2.66Å
87E86.4Confident73.5Confident104 Ų10482.8 Ų82.849%0.48643%0.428SS..Hα-helixtrans-57.3-38.1178.9-72.1-179-179.900111.4T84 R91T84-E87 WeakPolarHBondContact OG1-CG 3.39Å; E87-R91 WeakPolarHBondContact O-CB 3.32Å; E87-R91 PolarHBondContact O-N 3.13Å; E87-R91 VanDerWaalsContact O-N 3.08Å
88K85.5Confident75.9Confident94 Ų9480.3 Ų80.341%0.40941%0.41SS..Hα-helixtrans-65-46.3174.2-172.9-178.3176.2-172.60111.8E86 I90 R91 E92E86-K88 PolarHBondContact O-N 3.14Å; K88-I90 VanDerWaalsContact C-N 3.35Å; K88-I90 PolarHBondContact O-N 3.36Å; K88-R91 PolarHBondContact O-N 2.94Å; K88-E92 WeakPolarHBondContact CE-OE1 3.4Å; K88-E92 WeakPolarHBondContact O-CG 3.44Å; K88-E92 PolarHBondContact O-N 3.04Å
89A87.6Confident78.3Confident15 Ų1576.9 Ų76.912%0.12438%0.383CS..Hα-helixtrans-63.3-40.1179.100000112.2W47 D85 E86 E92 V93W47-A89 HydrophobicContact CH2-CB 3.85Å; W47-A89 HydrophobicContact CZ2-CB 3.71Å; D85-A89 WeakPolarHBondContact O-CB 3.38Å; D85-A89 PolarHBondContact O-N 3.48Å; D85-A89 VanDerWaalsContact O-N 3.1Å; E86-A89 WeakPolarHBondContact O-CB 3.16Å; E86-A89 PolarHBondContact O-N 2.69Å; A89-E92 PolarHBondContact O-N 2.9Å; A89-V93 WeakPolarHBondContact O-CG2 3.31Å; A89-V93 PolarHBondContact O-N 3.46Å; A89-V93 VanDerWaalsContact O-N 3.16Å
90I91.6Very high80.8Confident7 Ų771 Ų714%0.03635%0.352CS..Hα-helixtrans-60.1-49.4174.7-70.5167000109.7L43 W47 E86 K88 E92 V93 V94L43-I90 HydrophobicContact CB-CG1 4.46Å; L43-I90 HydrophobicContact CB-CG2 3.95Å; L43-I90 HydrophobicContact CD1-CG2 4.33Å; W47-I90 HydrophobicContact CD2-CD1 4.16Å; W47-I90 HydrophobicContact CD2-CG1 3.87Å; W47-I90 HydrophobicContact CE3-CD1 4.09Å; W47-I90 HydrophobicContact CE3-CG1 3.45Å; W47-I90 VanDerWaalsContact CE3-CG1 3.45Å; W47-I90 HydrophobicContact CG-CD1 4.45Å; W47-I90 HydrophobicContact CH2-CG1 3.89Å; W47-I90 HydrophobicContact CZ2-CG1 4.29Å; W47-I90 HydrophobicContact CZ3-CB 4.4Å; W47-I90 HydrophobicContact CZ3-CG1 3.46Å; W47-I90 VanDerWaalsContact CZ3-CG1 3.46Å; E86-I90 HydrophobicContact CG-CD1 3.91Å; E86-I90 WeakPolarHBondContact O-CG1 3.46Å; E86-I90 PolarHBondContact O-N 2.66Å; K88-I90 VanDerWaalsContact C-N 3.35Å; K88-I90 PolarHBondContact O-N 3.36Å; I90-E92 VanDerWaalsContact C-N 3.34Å; I90-E92 PolarHBondContact O-N 2.96Å; I90-V93 WeakPolarHBondContact O-CB 3.38Å; I90-V93 PolarHBondContact O-N 2.97Å; I90-V93 VanDerWaalsContact O-N 3.08Å; I90-V94 HydrophobicContact CG2-CG2 4.12Å; I90-V94 WeakPolarHBondContact O-CG2 3.46Å; I90-V94 PolarHBondContact O-N 3.21Å
91R91.3Very high83Confident117 Ų11764.2 Ų64.244%0.44232%0.321SS..Hα-helixtrans-57.5-44.9179.9-169.6-178.4-55.4176.35.7112.7E87 K88 V93 V94 E95E87-R91 WeakPolarHBondContact O-CB 3.32Å; E87-R91 PolarHBondContact O-N 3.13Å; E87-R91 VanDerWaalsContact O-N 3.08Å; K88-R91 PolarHBondContact O-N 2.94Å; R91-V93 VanDerWaalsContact C-N 3.29Å; R91-V93 PolarHBondContact O-N 2.87Å; R91-V94 PolarHBondContact O-N 3.2Å; R91-E95 WeakPolarHBondContact O-CG 3.22Å; R91-E95 PolarHBondContact O-N 3.44Å
92E89.4Confident84.7Confident83 Ų8363.9 Ų63.939%0.38833%0.328SS..Hα-helixtrans-60.6-39176.9-72.5176.4-176.100112.1K88 A89 I90 N96K88-E92 WeakPolarHBondContact CE-OE1 3.4Å; K88-E92 WeakPolarHBondContact O-CG 3.44Å; K88-E92 PolarHBondContact O-N 3.04Å; A89-E92 PolarHBondContact O-N 2.9Å; I90-E92 VanDerWaalsContact C-N 3.34Å; I90-E92 PolarHBondContact O-N 2.96Å; E92-N96 WeakPolarHBondContact O-CB 3.43Å; E92-N96 PolarHBondContact O-N 2.71Å; E92-N96 VanDerWaalsContact O-N 3.14Å
93V92.4Very high86.4Confident5 Ų562.2 Ų62.23%0.0332%0.324CS..Hα-helixtrans-67.6-46175.5175.70000110.7L43 V56 L59 A89 I90 R91 E95 N96 V97L43-V93 HydrophobicContact CD1-CB 4.09Å; L43-V93 HydrophobicContact CD1-CG1 3.66Å; L43-V93 HydrophobicContact CD2-CG1 4.32Å; V56-V93 HydrophobicContact CG1-CG2 3.94Å; V56-V93 HydrophobicContact CG2-CG2 4.37Å; L59-V93 HydrophobicContact CD1-CG1 3.92Å; A89-V93 WeakPolarHBondContact O-CG2 3.31Å; A89-V93 PolarHBondContact O-N 3.46Å; A89-V93 VanDerWaalsContact O-N 3.16Å; I90-V93 WeakPolarHBondContact O-CB 3.38Å; I90-V93 PolarHBondContact O-N 2.97Å; I90-V93 VanDerWaalsContact O-N 3.08Å; R91-V93 VanDerWaalsContact C-N 3.29Å; R91-V93 PolarHBondContact O-N 2.87Å; V93-E95 PolarHBondContact O-N 2.88Å; V93-N96 PolarHBondContact O-N 2.9Å; V93-V97 HydrophobicContact CG1-CG2 4.3Å; V93-V97 WeakPolarHBondContact O-CG2 3.4Å; V93-V97 PolarHBondContact O-N 2.83Å
94V94.6Very high87.9Confident17 Ų1760 Ų6010%0.10332%0.317CS..Hα-helixtrans-55.3-53.8177.51710000110.2L39 E40 L43 I90 R91 N96 V97 M98L39-V94 HydrophobicContact CD2-CB 4.3Å; L39-V94 HydrophobicContact CD2-CG1 4.19Å; L39-V94 HydrophobicContact CD2-CG2 4.28Å; L39-V94 HydrophobicContact CG-CG2 4.17Å; E40-V94 HydrophobicContact CB-CG2 4.12Å; E40-V94 HydrophobicContact CG-CG2 4.43Å; L43-V94 HydrophobicContact CD1-CG2 3.78Å; I90-V94 HydrophobicContact CG2-CG2 4.12Å; I90-V94 WeakPolarHBondContact O-CG2 3.46Å; I90-V94 PolarHBondContact O-N 3.21Å; R91-V94 PolarHBondContact O-N 3.2Å; V94-N96 VanDerWaalsContact C-N 3.34Å; V94-N96 PolarHBondContact O-N 2.78Å; V94-V97 PolarHBondContact O-N 2.96Å; V94-M98 HydrophobicContact CG1-CE 4.23Å; V94-M98 HydrophobicContact CG1-CG 4.29Å; V94-M98 VanDerWaalsContact O-CG 3.28Å; V94-M98 WeakPolarHBondContact O-CG 3.21Å; V94-M98 PolarHBondContact O-N 3.02Å
95E92.4Very high89.2Confident79 Ų7958.3 Ų58.337%0.36930%0.3SS..Hα-helixtrans-59.3-43.5-179.1-72.8177.1-178.900112.3R91 V93 M98 W99R91-E95 WeakPolarHBondContact O-CG 3.22Å; R91-E95 PolarHBondContact O-N 3.44Å; V93-E95 PolarHBondContact O-N 2.88Å; E95-M98 PolarHBondContact O-N 3.42Å; E95-W99 WeakPolarHBondContact O-CB 3.42Å; E95-W99 PolarHBondContact O-N 3.05Å
96N91.6Very high89.4Confident3 Ų356.2 Ų56.22%0.01628%0.284CS..Hα-helixtrans-62.6-44.8176.6171.157.4000112.2I63 E92 V93 V94 W99 Q100I63-N96 HydrophobicContact CD1-CB 4Å; I63-N96 HydrophobicContact CG1-CB 4.47Å; I63-N96 WeakPolarHBondContact CG1-OD1 3.4Å; E92-N96 WeakPolarHBondContact O-CB 3.43Å; E92-N96 PolarHBondContact O-N 2.71Å; E92-N96 VanDerWaalsContact O-N 3.14Å; V93-N96 PolarHBondContact O-N 2.9Å; V94-N96 VanDerWaalsContact C-N 3.34Å; V94-N96 PolarHBondContact O-N 2.78Å; N96-W99 PolarHBondContact O-N 3.27Å; N96-Q100 PolarHBondContact ND2-NE2 2.69Å; N96-Q100 WeakPolarHBondContact O-CG 3.26Å; N96-Q100 PolarHBondContact O-N 3.42Å; N96-Q100 PolarHBondContact OD1-NE2 2.72Å
97V94.1Very high89.5Confident0 Ų053 Ų530%027%0.27CS..Hα-helixtrans-64.4-45.4178.5168.40000110.6L39 L59 V93 V94 W99 Q100 M101 L110 L113L39-V97 HydrophobicContact CD1-CG1 4.33Å; L39-V97 HydrophobicContact CD2-CB 3.63Å; L39-V97 HydrophobicContact CD2-CG1 3.44Å; L39-V97 VanDerWaalsContact CD2-CG1 3.44Å; L39-V97 HydrophobicContact CD2-CG2 4.35Å; L59-V97 HydrophobicContact CD1-CG2 3.92Å; L59-V97 HydrophobicContact CD2-CG2 4.22Å; V93-V97 HydrophobicContact CG1-CG2 4.3Å; V93-V97 WeakPolarHBondContact O-CG2 3.4Å; V93-V97 PolarHBondContact O-N 2.83Å; V94-V97 PolarHBondContact O-N 2.96Å; V97-W99 VanDerWaalsContact C-N 3.32Å; V97-W99 PolarHBondContact O-N 2.64Å; V97-Q100 PolarHBondContact O-N 2.72Å; V97-M101 HydrophobicContact CG1-CG 4.45Å; V97-M101 HydrophobicContact CG1-SD 3.9Å; V97-M101 WeakPolarHBondContact O-CG 3.36Å; V97-M101 PolarHBondContact O-N 3.06Å; V97-L110 HydrophobicContact CB-CD1 4.41Å; V97-L110 HydrophobicContact CG1-CD1 3.73Å; V97-L110 HydrophobicContact CG2-CD1 4.37Å; V97-L113 HydrophobicContact CG2-CD2 3.93Å
98M94.1Very high89.6Confident56 Ų5653.3 Ų53.328%0.27628%0.279SS..Hα-helixtrans-59.6-43.3176.6-66.5-54.1-179.100111.7R36 L39 V94 E95 M101 A102R36-M98 HydrophobicContact CB-CE 4.22Å; R36-M98 HydrophobicContact CB-SD 4.17Å; R36-M98 HydrophobicContact CG-CE 3.77Å; R36-M98 HydrophobicContact CG-SD 3.75Å; R36-M98 WeakPolarHBondContact O-CE 3.38Å; L39-M98 HydrophobicContact CB-CE 4.24Å; L39-M98 HydrophobicContact CD2-CE 3.92Å; L39-M98 HydrophobicContact CD2-SD 4.49Å; V94-M98 HydrophobicContact CG1-CE 4.23Å; V94-M98 HydrophobicContact CG1-CG 4.29Å; V94-M98 VanDerWaalsContact O-CG 3.28Å; V94-M98 WeakPolarHBondContact O-CG 3.21Å; V94-M98 PolarHBondContact O-N 3.02Å; E95-M98 PolarHBondContact O-N 3.42Å; M98-M101 PolarHBondContact O-N 3.14Å; M98-A102 WeakPolarHBondContact O-CB 3.23Å; M98-A102 PolarHBondContact O-N 3.22Å
99W92.4Very high89.9Confident58 Ų5849 Ų4922%0.2226%0.262CS..Hα-helixtrans-63.7-44.6175.7169.884.1000112R71 C73 E95 N96 V97 M101 A102 A103 R105R71-W99 WeakPolarHBondContact O-CH2 3.37Å; R71-W99 VanDerWaalsContact O-CZ2 3.3Å; R71-W99 WeakPolarHBondContact O-CZ2 3.44Å; C73-W99 HydrophobicContact CB-CB 4.33Å; C73-W99 HydrophobicContact CB-CD2 3.65Å; C73-W99 HydrophobicContact CB-CE3 3.86Å; C73-W99 HydrophobicContact CB-CG 3.83Å; C73-W99 HydrophobicContact CB-CZ3 4.49Å; E95-W99 WeakPolarHBondContact O-CB 3.42Å; E95-W99 PolarHBondContact O-N 3.05Å; N96-W99 PolarHBondContact O-N 3.27Å; V97-W99 VanDerWaalsContact C-N 3.32Å; V97-W99 PolarHBondContact O-N 2.64Å; W99-M101 VanDerWaalsContact C-N 3.33Å; W99-M101 PolarHBondContact O-N 3.04Å; W99-A102 PolarHBondContact O-N 3.25Å; W99-A103 WeakPolarHBondContact O-CB 3.24Å; W99-A103 PolarHBondContact O-N 3.09Å; W99-R105 VanDerWaalsContact CH2-CD 3.43Å
100Q90.9Very high90.1Very high0 Ų048.5 Ų48.50%026%0.257CS..Hα-helixtrans-60.9-43.5177.2-75.3-170.665.800111.5N96 V97 A103 D104 R105 S107 L110N96-Q100 PolarHBondContact ND2-NE2 2.69Å; N96-Q100 WeakPolarHBondContact O-CG 3.26Å; N96-Q100 PolarHBondContact O-N 3.42Å; N96-Q100 PolarHBondContact OD1-NE2 2.72Å; V97-Q100 PolarHBondContact O-N 2.72Å; Q100-A103 PolarHBondContact O-N 2.96Å; Q100-D104 PolarHBondContact O-N 3.03Å; Q100-R105 HydrophobicContact CB-CB 4.1Å; Q100-R105 HydrophobicContact CG-CB 4.43Å; Q100-R105 WeakPolarHBondContact O-CB 3.39Å; Q100-R105 PolarHBondContact O-N 3.19Å; Q100-S107 PolarHBondContact OE1-OG 3.07Å; Q100-L110 HydrophobicContact CB-CD2 3.99Å
101M90.2Very high90.1Very high41 Ų4150 Ų5020%0.20226%0.263CS..Hα-helixtrans-64-44.6176.5-71.5174.964.900111.9F32 I35 V97 M98 W99 A103 D104 L110F32-M101 HydrophobicContact CB-CE 4.38Å; F32-M101 HydrophobicContact CD1-CE 4.16Å; F32-M101 WeakPolarHBondContact O-CE 3.43Å; I35-M101 HydrophobicContact CB-CE 3.91Å; I35-M101 HydrophobicContact CB-SD 4.27Å; I35-M101 HydrophobicContact CG2-CE 3.94Å; I35-M101 HydrophobicContact CG2-SD 3.61Å; V97-M101 HydrophobicContact CG1-CG 4.45Å; V97-M101 HydrophobicContact CG1-SD 3.9Å; V97-M101 WeakPolarHBondContact O-CG 3.36Å; V97-M101 PolarHBondContact O-N 3.06Å; M98-M101 PolarHBondContact O-N 3.14Å; W99-M101 VanDerWaalsContact C-N 3.33Å; W99-M101 PolarHBondContact O-N 3.04Å; M101-A103 PolarHBondContact O-N 3.17Å; M101-D104 PolarHBondContact O-N 2.73Å; M101-D104 VanDerWaalsContact O-N 3.1Å; M101-L110 HydrophobicContact CG-CD1 4.22Å; M101-L110 HydrophobicContact CG-CD2 4.27Å
102A89.6Confident90.2Very high94 Ų9447.2 Ų47.278%0.77726%0.255SS*.Hα-helixtrans-62.3-28.6177.900000112.9M98 W99M98-A102 WeakPolarHBondContact O-CB 3.23Å; M98-A102 PolarHBondContact O-N 3.22Å; W99-A102 PolarHBondContact O-N 3.25Å
103A87Confident90.5Very high54 Ų5443.2 Ų43.245%0.44624%0.236SC..THydrogen-bonded Turntrans-91.310.8177.500000114.1W99 Q100 M101 R105W99-A103 WeakPolarHBondContact O-CB 3.24Å; W99-A103 PolarHBondContact O-N 3.09Å; Q100-A103 PolarHBondContact O-N 2.96Å; M101-A103 PolarHBondContact O-N 3.17Å; A103-R105 HydrophobicContact CB-CG 3.88Å; A103-R105 PolarHBondContact O-N 2.96Å; A103-R105 VanDerWaalsContact O-N 3.13Å
104D84.7Confident90.6Very high107 Ų10743.5 Ų43.557%0.57224%0.237SC*.THydrogen-bonded Turntrans4836.3-173.4-168.338.4000113Q100 M101 K106Q100-D104 PolarHBondContact O-N 3.03Å; M101-D104 PolarHBondContact O-N 2.73Å; M101-D104 VanDerWaalsContact O-N 3.1Å; D104-K106 VanDerWaalsContact CG-CE 3.42Å; D104-K106 WeakPolarHBondContact OD1-CE 3.23Å; D104-K106 IonicContact OD1-NZ 3.3Å; D104-K106 PolarHBondContact OD1-NZ 3.15Å; D104-K106 VanDerWaalsContact OD2-CE 3.28Å; D104-K106 WeakPolarHBondContact OD2-CE 3.42Å; D104-K106 IonicContact OD2-NZ 3.61Å; D104-K106 PolarHBondContact OD2-NZ 3.04Å
105R84.4Confident90.6Very high55 Ų5542.7 Ų42.721%0.20823%0.232CC..  trans-75.3139178.3-67.1-176.355.1113.612.7109.4D66 W99 Q100 A103 L110D66-R105 IonicContact OD1-CZ 3.24Å; D66-R105 VanDerWaalsContact OD1-CZ 3.24Å; D66-R105 IonicContact OD1-NH1 3.06Å; D66-R105 PolarHBondContact OD1-NH1 3.15Å; D66-R105 IonicContact OD1-NH2 2.66Å; D66-R105 PolarHBondContact OD1-NH2 2.8Å; D66-R105 IonicContact OD2-CZ 3.36Å; D66-R105 IonicContact OD2-NH1 3.73Å; D66-R105 IonicContact OD2-NH2 2.84Å; D66-R105 PolarHBondContact OD2-NH2 3.36Å; W99-R105 VanDerWaalsContact CH2-CD 3.43Å; Q100-R105 HydrophobicContact CB-CB 4.1Å; Q100-R105 HydrophobicContact CG-CB 4.43Å; Q100-R105 WeakPolarHBondContact O-CB 3.39Å; Q100-R105 PolarHBondContact O-N 3.19Å; A103-R105 HydrophobicContact CB-CG 3.88Å; A103-R105 PolarHBondContact O-N 2.96Å; A103-R105 VanDerWaalsContact O-N 3.13Å; R105-L110 WeakPolarHBondContact O-CD2 3.43Å
106K82.7Confident90.9Very high110 Ų11039.8 Ų39.848%0.47822%0.219SC..  trans-121.541.8-174.2-65.2175.1-168.6167.20111.1D104D104-K106 VanDerWaalsContact CG-CE 3.42Å; D104-K106 WeakPolarHBondContact OD1-CE 3.23Å; D104-K106 IonicContact OD1-NZ 3.3Å; D104-K106 PolarHBondContact OD1-NZ 3.15Å; D104-K106 VanDerWaalsContact OD2-CE 3.28Å; D104-K106 WeakPolarHBondContact OD2-CE 3.42Å; D104-K106 IonicContact OD2-NZ 3.61Å; D104-K106 PolarHBondContact OD2-NZ 3.04Å
107S86.9Confident91.1Very high13 Ų1339.8 Ų39.89%0.09122%0.219CC..  trans-64.7150-179.871.30000110.8Q100 A109 L110 K111Q100-S107 PolarHBondContact OE1-OG 3.07Å; S107-A109 VanDerWaalsContact C-N 3.25Å; S107-A109 PolarHBondContact O-N 3.2Å; S107-L110 PolarHBondContact O-N 3.26Å; S107-L110 VanDerWaalsContact OG-CB 3.25Å; S107-L110 WeakPolarHBondContact OG-CB 3.49Å; S107-L110 PolarHBondContact OG-N 3.12Å; S107-L110 VanDerWaalsContact OG-N 3.16Å; S107-K111 PolarHBondContact O-N 2.88Å
108T88.3Confident91.3Very high111 Ų11140.8 Ų40.868%0.68122%0.223SC*.Hα-helixtrans-58.3-41.6176.2-54.40000111.2L110 K111 Q112T108-L110 PolarHBondContact O-N 2.95Å; T108-K111 PolarHBondContact O-N 3.04Å; T108-Q112 WeakPolarHBondContact O-CB 3.4Å; T108-Q112 PolarHBondContact O-N 2.94Å
109A92.1Very high91.4Very high5 Ų541.8 Ų41.84%0.04122%0.223CC..Hα-helixtrans-61-44.5179.100000112.4L58 L59 Q62 S107 Q112 L113L58-A109 HydrophobicContact CB-CB 3.91Å; L59-A109 HydrophobicContact CD2-CB 3.9Å; L59-A109 HydrophobicContact CG-CB 4.19Å; Q62-A109 HydrophobicContact CB-CB 3.98Å; Q62-A109 HydrophobicContact CG-CB 4.41Å; S107-A109 VanDerWaalsContact C-N 3.25Å; S107-A109 PolarHBondContact O-N 3.2Å; A109-Q112 PolarHBondContact O-N 3.44Å; A109-L113 PolarHBondContact O-N 3.46Å
110L92.6Very high91.6Very high3 Ų341 Ų412%0.01623%0.23CC..Hα-helixtrans-64-47.5176.7178.767.2000111.5V97 Q100 M101 R105 S107 T108 Q112 L113 Q114V97-L110 HydrophobicContact CB-CD1 4.41Å; V97-L110 HydrophobicContact CG1-CD1 3.73Å; V97-L110 HydrophobicContact CG2-CD1 4.37Å; Q100-L110 HydrophobicContact CB-CD2 3.99Å; M101-L110 HydrophobicContact CG-CD1 4.22Å; M101-L110 HydrophobicContact CG-CD2 4.27Å; R105-L110 WeakPolarHBondContact O-CD2 3.43Å; S107-L110 PolarHBondContact O-N 3.26Å; S107-L110 VanDerWaalsContact OG-CB 3.25Å; S107-L110 WeakPolarHBondContact OG-CB 3.49Å; S107-L110 PolarHBondContact OG-N 3.12Å; S107-L110 VanDerWaalsContact OG-N 3.16Å; T108-L110 PolarHBondContact O-N 2.95Å; L110-Q112 PolarHBondContact O-N 3.23Å; L110-L113 PolarHBondContact O-N 2.9Å; L110-Q114 HydrophobicContact CD1-CG 4.25Å; L110-Q114 HydrophobicContact CG-CG 4.34Å; L110-Q114 WeakPolarHBondContact O-CB 3.15Å; L110-Q114 VanDerWaalsContact O-CG 3.28Å; L110-Q114 WeakPolarHBondContact O-CG 3.19Å; L110-Q114 PolarHBondContact O-N 3.46Å
111K90.6Very high91.9Very high40 Ų4041 Ų4117%0.17423%0.23CC..Hα-helixtrans-61.1-34.6-179.1-75.7-176.6168.9-168.60112.4S107 T108 G115 S154 T182S107-K111 PolarHBondContact O-N 2.88Å; T108-K111 PolarHBondContact O-N 3.04Å; K111-G115 PolarHBondContact O-N 2.94Å; K111-S154 PolarHBondContact NZ-O 2.96Å; K111-T182 PolarHBondContact NZ-OG1 3.49Å; K111-T182 VanDerWaalsContact NZ-OG1 3.17Å
112Q93.2Very high92.3Very high57 Ų5739.3 Ų39.327%0.26622%0.221SC..Hα-helixtrans-64.9-54.7179-169.8177.1-70.800111.2D55 L58 T108 A109 L110 Q114 G115 H116D55-Q112 WeakPolarHBondContact OD1-CG 3.14Å; D55-Q112 PolarHBondContact OD1-NE2 2.98Å; L58-Q112 VanDerWaalsContact CD1-OE1 3.27Å; T108-Q112 WeakPolarHBondContact O-CB 3.4Å; T108-Q112 PolarHBondContact O-N 2.94Å; A109-Q112 PolarHBondContact O-N 3.44Å; L110-Q112 PolarHBondContact O-N 3.23Å; Q112-Q114 VanDerWaalsContact C-N 3.32Å; Q112-Q114 PolarHBondContact O-N 2.8Å; Q112-G115 WeakPolarHBondContact O-CA 3.37Å; Q112-G115 PolarHBondContact O-N 3.16Å; Q112-H116 PolarHBondContact O-N 2.95Å
113L95.8Very high92.6Very high0 Ų039 Ų390%021%0.209CC..Hα-helixtrans-56.8-45.7176.6175.862.6000111.7L39 L43 D55 L59 V97 A109 L110 G115 H116 M117L39-L113 HydrophobicContact CD1-CD2 3.79Å; L43-L113 HydrophobicContact CD2-CD1 4.47Å; D55-L113 HydrophobicContact CB-CB 4.29Å; D55-L113 HydrophobicContact CB-CD1 4.15Å; L59-L113 HydrophobicContact CD1-CB 4.41Å; L59-L113 HydrophobicContact CD1-CD2 3.65Å; V97-L113 HydrophobicContact CG2-CD2 3.93Å; A109-L113 PolarHBondContact O-N 3.46Å; L110-L113 PolarHBondContact O-N 2.9Å; L113-G115 VanDerWaalsContact C-N 3.28Å; L113-G115 PolarHBondContact O-N 3.39Å; L113-H116 PolarHBondContact O-N 2.72Å; L113-M117 HydrophobicContact CD1-CG 4.29Å; L113-M117 HydrophobicContact CD1-SD 4.36Å; L113-M117 HydrophobicContact CG-SD 4.2Å; L113-M117 WeakPolarHBondContact O-CG 3.42Å; L113-M117 PolarHBondContact O-N 3.23Å
114Q95.3Very high93.1Very high10 Ų1039.9 Ų39.95%0.04721%0.212CC..Hα-helixtrans-59.4-40.5177-71.6175.4-25.200111.9I35 L110 Q112 M117 W118I35-Q114 HydrophobicContact CD1-CB 4.27Å; I35-Q114 HydrophobicContact CD1-CG 4.27Å; I35-Q114 HydrophobicContact CG1-CG 4.18Å; I35-Q114 HydrophobicContact CG2-CG 4.26Å; L110-Q114 HydrophobicContact CD1-CG 4.25Å; L110-Q114 HydrophobicContact CG-CG 4.34Å; L110-Q114 WeakPolarHBondContact O-CB 3.15Å; L110-Q114 VanDerWaalsContact O-CG 3.28Å; L110-Q114 WeakPolarHBondContact O-CG 3.19Å; L110-Q114 PolarHBondContact O-N 3.46Å; Q112-Q114 VanDerWaalsContact C-N 3.32Å; Q112-Q114 PolarHBondContact O-N 2.8Å; Q114-M117 PolarHBondContact O-N 3.24Å; Q114-W118 HydrophobicContact CB-CD2 4.5Å; Q114-W118 HydrophobicContact CB-CE3 4.02Å; Q114-W118 HydrophobicContact CB-CH2 3.87Å; Q114-W118 HydrophobicContact CB-CZ2 4.36Å; Q114-W118 HydrophobicContact CB-CZ3 3.69Å; Q114-W118 HydrophobicContact CG-CH2 4.45Å; Q114-W118 WeakPolarHBondContact O-CB 3.4Å; Q114-W118 VanDerWaalsContact O-CD2 3.24Å; Q114-W118 VanDerWaalsContact O-CE3 3.24Å; Q114-W118 PolarHBondContact O-N 3.05Å
115G95.1Very high93.6Very high0 Ų037 Ų370%021%0.207CC..Hα-helixtrans-58.5-48.2174.900000112.6K111 Q112 L113 W118 R119K111-G115 PolarHBondContact O-N 2.94Å; Q112-G115 WeakPolarHBondContact O-CA 3.37Å; Q112-G115 PolarHBondContact O-N 3.16Å; L113-G115 VanDerWaalsContact C-N 3.28Å; L113-G115 PolarHBondContact O-N 3.39Å; G115-W118 PolarHBondContact O-N 3.35Å; G115-R119 WeakPolarHBondContact O-CB 3.4Å; G115-R119 PolarHBondContact O-N 3.37Å
116H96.7Very high94.2Very high19 Ų1942.6 Ų42.69%0.08823%0.229CC..Hα-helixtrans-65-43.4178.8-60.7163.2000112.4E51 D55 Q112 L113 R119 A120E51-H116 WeakPolarHBondContact CG-CE1 3.08Å; E51-H116 WeakPolarHBondContact CG-ND1 3.47Å; E51-H116 IonicContact OE1-CD2 2.6Å; E51-H116 IonicContact OE1-CE1 3.7Å; E51-H116 IonicContact OE1-ND1 3.13Å; E51-H116 IonicContact OE1-NE2 2.72Å; E51-H116 PolarHBondContact OE1-NE2 3.47Å; E51-H116 IonicContact OE2-CG 3.89Å; D55-H116 VanDerWaalsContact CG-ND1 3.3Å; D55-H116 IonicContact OD1-CE1 2.85Å; D55-H116 PolarHBondContact OD1-CE1 3.39Å; D55-H116 IonicContact OD1-ND1 3.15Å; D55-H116 PolarHBondContact OD1-ND1 2.82Å; D55-H116 VanDerWaalsContact OD1-ND1 3.14Å; D55-H116 IonicContact OD2-CE1 2.7Å; D55-H116 IonicContact OD2-CG 3.75Å; D55-H116 IonicContact OD2-ND1 3.56Å; D55-H116 PolarHBondContact OD2-ND1 2.93Å; Q112-H116 PolarHBondContact O-N 2.95Å; L113-H116 PolarHBondContact O-N 2.72Å; H116-R119 PolarHBondContact CD2-NH1 3.1Å; H116-R119 WeakPolarHBondContact O-CB 3.5Å; H116-R119 PolarHBondContact O-N 3.05Å; H116-A120 PolarHBondContact O-N 3.47Å; H116-A120 VanDerWaalsContact O-N 3.1Å
117M97.7Very high94.9Very high2 Ų237.8 Ų37.81%0.0121%0.208CC..Hα-helixtrans-60.5-46.7174.7-73-178.569.900112I35 H38 L39 H42 L113 Q114 R119 A120 A121I35-M117 HydrophobicContact CB-CE 4.46Å; I35-M117 HydrophobicContact CD1-CB 3.56Å; I35-M117 HydrophobicContact CD1-CE 3.91Å; I35-M117 HydrophobicContact CD1-CG 4.3Å; I35-M117 HydrophobicContact CD1-SD 3.83Å; I35-M117 HydrophobicContact CG2-CE 4.18Å; I35-M117 HydrophobicContact CG2-SD 4.07Å; H38-M117 HydrophobicContact CB-CE 4.34Å; L39-M117 HydrophobicContact CB-CE 4.13Å; L39-M117 HydrophobicContact CD1-CE 4.33Å; L39-M117 HydrophobicContact CD1-SD 3.74Å; H42-M117 HydrophobicContact CB-CE 4.11Å; H42-M117 HydrophobicContact CB-CG 4.39Å; H42-M117 VanDerWaalsContact CD2-CG 3.47Å; H42-M117 WeakPolarHBondContact CD2-CG 3.41Å; L113-M117 HydrophobicContact CD1-CG 4.29Å; L113-M117 HydrophobicContact CD1-SD 4.36Å; L113-M117 HydrophobicContact CG-SD 4.2Å; L113-M117 WeakPolarHBondContact O-CG 3.42Å; L113-M117 PolarHBondContact O-N 3.23Å; Q114-M117 PolarHBondContact O-N 3.24Å; M117-R119 VanDerWaalsContact C-N 3.34Å; M117-R119 PolarHBondContact O-N 2.93Å; M117-A120 PolarHBondContact O-N 3.4Å; M117-A121 PolarHBondContact O-N 2.95Å
118W97.4Very high95.4Very high22 Ų2243.2 Ų43.28%0.08323%0.23CC..Hα-helixtrans-64.6-38.8176.5-72.6-39.2000111.8L31 F32 I35 Q114 G115 A120 A121 Y122 A159 L162L31-W118 HydrophobicContact CB-CZ2 4.21Å; L31-W118 PolarHBondContact O-NE1 3.04Å; F32-W118 HydrophobicContact CD1-CZ2 4.3Å; F32-W118 HydrophobicContact CE1-CH2 4.14Å; F32-W118 HydrophobicContact CE1-CZ2 4.29Å; I35-W118 HydrophobicContact CD1-CD2 4.31Å; I35-W118 HydrophobicContact CD1-CG 4.33Å; I35-W118 HydrophobicContact CD1-CZ2 4.39Å; I35-W118 HydrophobicContact CG1-CZ2 3.94Å; Q114-W118 HydrophobicContact CB-CD2 4.5Å; Q114-W118 HydrophobicContact CB-CE3 4.02Å; Q114-W118 HydrophobicContact CB-CH2 3.87Å; Q114-W118 HydrophobicContact CB-CZ2 4.36Å; Q114-W118 HydrophobicContact CB-CZ3 3.69Å; Q114-W118 HydrophobicContact CG-CH2 4.45Å; Q114-W118 WeakPolarHBondContact O-CB 3.4Å; Q114-W118 VanDerWaalsContact O-CD2 3.24Å; Q114-W118 VanDerWaalsContact O-CE3 3.24Å; Q114-W118 PolarHBondContact O-N 3.05Å; G115-W118 PolarHBondContact O-N 3.35Å; W118-A120 VanDerWaalsContact C-N 3.31Å; W118-A120 PolarHBondContact O-N 3.12Å; W118-A121 WeakPolarHBondContact O-CB 3.49Å; W118-A121 PolarHBondContact O-N 2.92Å; W118-Y122 HydrophobicContact CB-CD2 4.11Å; W118-Y122 HydrophobicContact CB-CE2 4.14Å; W118-Y122 WeakPolarHBondContact O-CD2 3.46Å; W118-Y122 PolarHBondContact O-N 3.25Å; W118-A159 HydrophobicContact CE3-CB 4.11Å; W118-A159 HydrophobicContact CZ3-CB 4.18Å; W118-L162 HydrophobicContact CB-CD1 4.2Å
119R97.1Very high95.8Very high76 Ų7638 Ų3829%0.28720%0.198SC..Hα-helixtrans-55.8-48.3175.9-176.417065.5-150.38.5111E51 G115 H116 M117 A121 Y122 T123 E158 L162E51-R119 IonicContact OE1-CZ 2.9Å; E51-R119 IonicContact OE1-NH1 3.93Å; E51-R119 IonicContact OE1-NH2 3.74Å; E51-R119 PolarHBondContact OE1-NH2 2.9Å; E51-R119 IonicContact OE2-CZ 3.48Å; E51-R119 IonicContact OE2-NH2 3.78Å; E51-R119 PolarHBondContact OE2-NH2 2.67Å; G115-R119 WeakPolarHBondContact O-CB 3.4Å; G115-R119 PolarHBondContact O-N 3.37Å; H116-R119 PolarHBondContact CD2-NH1 3.1Å; H116-R119 WeakPolarHBondContact O-CB 3.5Å; H116-R119 PolarHBondContact O-N 3.05Å; M117-R119 VanDerWaalsContact C-N 3.34Å; M117-R119 PolarHBondContact O-N 2.93Å; R119-A121 VanDerWaalsContact C-N 3.33Å; R119-A121 PolarHBondContact O-N 3.41Å; R119-Y122 PolarHBondContact O-N 3.07Å; R119-T123 VanDerWaalsContact O-CB 3.32Å; R119-T123 WeakPolarHBondContact O-CB 3.48Å; R119-T123 PolarHBondContact O-N 3.13Å; R119-T123 PolarHBondContact O-OG1 3.22Å; R119-T123 VanDerWaalsContact O-OG1 3.05Å; R119-E158 IonicContact CZ-OE1 2.71Å; R119-E158 IonicContact NH1-OE1 2.86Å; R119-E158 PolarHBondContact NH1-OE1 2.78Å; R119-L162 HydrophobicContact CB-CD1 3.92Å; R119-L162 HydrophobicContact CB-CD2 4.15Å; R119-L162 HydrophobicContact CG-CD2 4.1Å
120A96.4Very high96.1Very high43 Ų4341.5 Ų41.536%0.35521%0.213SC..Hα-helixtrans-60.7-41.7174.900000112.3H116 M117 W118 S124H116-A120 PolarHBondContact O-N 3.47Å; H116-A120 VanDerWaalsContact O-N 3.1Å; M117-A120 PolarHBondContact O-N 3.4Å; W118-A120 VanDerWaalsContact C-N 3.31Å; W118-A120 PolarHBondContact O-N 3.12Å; A120-S124 VanDerWaalsContact O-CB 3.26Å; A120-S124 WeakPolarHBondContact O-CB 3.37Å; A120-S124 PolarHBondContact O-N 3.39Å; A120-S124 PolarHBondContact O-OG 3.29Å
121A97.3Very high96.3Very high0 Ų041.7 Ų41.70%021%0.214CC..Hα-helixtrans-64.1-44.6179.700000113.3Y34 M117 W118 R119 S124 G125 R126 I127Y34-A121 HydrophobicContact CD1-CB 4.18Å; Y34-A121 HydrophobicContact CE1-CB 3.44Å; Y34-A121 VanDerWaalsContact CE1-CB 3.44Å; Y34-A121 HydrophobicContact CE2-CB 4.01Å; Y34-A121 WeakPolarHBondContact OH-CB 3.49Å; M117-A121 PolarHBondContact O-N 2.95Å; W118-A121 WeakPolarHBondContact O-CB 3.49Å; W118-A121 PolarHBondContact O-N 2.92Å; R119-A121 VanDerWaalsContact C-N 3.33Å; R119-A121 PolarHBondContact O-N 3.41Å; A121-S124 PolarHBondContact O-OG 3.4Å; A121-G125 PolarHBondContact O-N 3.43Å; A121-R126 PolarHBondContact O-N 3.32Å; A121-I127 HydrophobicContact CB-CB 4.35Å; A121-I127 HydrophobicContact CB-CD1 3.68Å; A121-I127 HydrophobicContact CB-CG1 3.92Å; A121-I127 PolarHBondContact O-N 3Å
122Y97.8Very high96.6Very high5 Ų543.8 Ų43.82%0.0222%0.222CC..Hα-helixtrans-70.9-47.9178.7-80.3-68.2000111.8L31 W118 R119 S124 G125 I127 L162 L163 Y166L31-Y122 HydrophobicContact CD2-CE2 4.37Å; L31-Y122 WeakPolarHBondContact CD2-OH 3.41Å; W118-Y122 HydrophobicContact CB-CD2 4.11Å; W118-Y122 HydrophobicContact CB-CE2 4.14Å; W118-Y122 WeakPolarHBondContact O-CD2 3.46Å; W118-Y122 PolarHBondContact O-N 3.25Å; R119-Y122 PolarHBondContact O-N 3.07Å; Y122-S124 VanDerWaalsContact C-N 3.27Å; Y122-S124 PolarHBondContact O-N 2.97Å; Y122-G125 PolarHBondContact O-N 3.47Å; Y122-I127 HydrophobicContact CD1-CB 4.19Å; Y122-I127 HydrophobicContact CD1-CG2 4.03Å; Y122-I127 WeakPolarHBondContact CD1-O 3.43Å; Y122-I127 HydrophobicContact CE1-CB 4.2Å; Y122-I127 HydrophobicContact CE1-CG2 3.53Å; Y122-I127 HydrophobicContact CE2-CG2 4.49Å; Y122-L162 HydrophobicContact CD2-CB 3.59Å; Y122-L162 HydrophobicContact CD2-CD1 4.3Å; Y122-L162 HydrophobicContact CD2-CG 4.36Å; Y122-L162 HydrophobicContact CE2-CB 3.84Å; Y122-L162 HydrophobicContact CG-CB 4.24Å; Y122-L163 WeakPolarHBondContact OH-CD1 3.46Å; Y122-Y166 HydrophobicContact CD1-CG 4.35Å; Y122-Y166 HydrophobicContact CG-CD2 4.42Å; Y122-Y166 HydrophobicContact CG-CG 4.43Å; Y122-Y166 WeakPolarHBondContact O-CD1 3.45Å
123T96.3Very high96.7Very high86 Ų8646 Ų4653%0.52824%0.241SC..Hα-helixtrans-64.1-33-179.8-60.20000112.3R119 G125 Y166R119-T123 VanDerWaalsContact O-CB 3.32Å; R119-T123 WeakPolarHBondContact O-CB 3.48Å; R119-T123 PolarHBondContact O-N 3.13Å; R119-T123 PolarHBondContact O-OG1 3.22Å; R119-T123 VanDerWaalsContact O-OG1 3.05Å; T123-G125 VanDerWaalsContact C-N 3.28Å; T123-G125 PolarHBondContact O-N 2.91Å; T123-Y166 PolarHBondContact OG1-OH 3.09Å
124S96.3Very high96.7Very high74 Ų7449.6 Ų49.652%0.51726%0.26SS..THydrogen-bonded Turntrans-78.7-8.3173.762.60000114.1A120 A121 Y122 R126A120-S124 VanDerWaalsContact O-CB 3.26Å; A120-S124 WeakPolarHBondContact O-CB 3.37Å; A120-S124 PolarHBondContact O-N 3.39Å; A120-S124 PolarHBondContact O-OG 3.29Å; A121-S124 PolarHBondContact O-OG 3.4Å; Y122-S124 VanDerWaalsContact C-N 3.27Å; Y122-S124 PolarHBondContact O-N 2.97Å; S124-R126 VanDerWaalsContact C-N 3.27Å; S124-R126 PolarHBondContact O-N 2.95Å; S124-R126 WeakPolarHBondContact OG-CG 3.3Å
125G96.1Very high96.7Very high45 Ų4549.6 Ų49.646%0.46426%0.261SS..THydrogen-bonded Turntrans74.311.7-17700000114.7A121 Y122 T123 I127A121-G125 PolarHBondContact O-N 3.43Å; Y122-G125 PolarHBondContact O-N 3.47Å; T123-G125 VanDerWaalsContact C-N 3.28Å; T123-G125 PolarHBondContact O-N 2.91Å; G125-I127 VanDerWaalsContact C-N 3.28Å
126R96.6Very high96.8Very high174 Ų17450.1 Ų50.166%0.65726%0.264SS*.SBendtrans-67-32.3173.4-70.3-178.4-172.7-150.35.9111.8Y34 A121 S124Y34-R126 HydrophobicContact CE2-CB 4.47Å; A121-R126 PolarHBondContact O-N 3.32Å; S124-R126 VanDerWaalsContact C-N 3.27Å; S124-R126 PolarHBondContact O-N 2.95Å; S124-R126 WeakPolarHBondContact OG-CG 3.3Å
127I97.1Very high96.8Very high8 Ų852.6 Ų52.64%0.04128%0.282CS..SBendtrans-120.5141.1171.7-59179000108.1F26 L31 Y34 A121 Y122 G125F26-I127 HydrophobicContact CE2-CG2 4.22Å; F26-I127 HydrophobicContact CZ-CG2 3.75Å; L31-I127 HydrophobicContact CD2-CD1 4.18Å; L31-I127 HydrophobicContact CD2-CG2 3.99Å; Y34-I127 HydrophobicContact CD1-CD1 3.95Å; Y34-I127 HydrophobicContact CD2-CD1 3.68Å; Y34-I127 HydrophobicContact CD2-CG1 4.06Å; Y34-I127 HydrophobicContact CE1-CD1 4.42Å; Y34-I127 HydrophobicContact CE2-CD1 4.17Å; Y34-I127 HydrophobicContact CE2-CG1 4.3Å; Y34-I127 HydrophobicContact CG-CD1 3.57Å; Y34-I127 HydrophobicContact CG-CG1 4.44Å; A121-I127 HydrophobicContact CB-CB 4.35Å; A121-I127 HydrophobicContact CB-CD1 3.68Å; A121-I127 HydrophobicContact CB-CG1 3.92Å; A121-I127 PolarHBondContact O-N 3Å; Y122-I127 HydrophobicContact CD1-CB 4.19Å; Y122-I127 HydrophobicContact CD1-CG2 4.03Å; Y122-I127 WeakPolarHBondContact CD1-O 3.43Å; Y122-I127 HydrophobicContact CE1-CB 4.2Å; Y122-I127 HydrophobicContact CE1-CG2 3.53Å; Y122-I127 HydrophobicContact CE2-CG2 4.49Å; G125-I127 VanDerWaalsContact C-N 3.28Å
128K97.8Very high96.8Very high128 Ų12854.1 Ų54.156%0.55729%0.293SS*.  trans-121.8141.7164.1-70.4-166.9174.2-169.40109.2F26 E130 Y166 V168F26-K128 WeakPolarHBondContact CE2-O 3.3Å; F26-K128 WeakPolarHBondContact CZ-O 3.49Å; K128-E130 PolarHBondContact O-N 3.06Å; K128-Y166 CarbonylContact C-O 3.59Å; K128-Y166 WeakPolarHBondContact CA-O 3.34Å; K128-V168 HydrophobicContact CB-CG1 3.98Å
129G97.5Very high96.7Very high0 Ų053.1 Ų53.10%029%0.289CS..BIsolated β-bridgetrans-68.8118.4-178.500000110.1Y166 S167 V168G129-Y166 PolarHBondContact N-O 3.17Å; G129-S167 CarbonylContact O-C 3.59Å; G129-S167 WeakPolarHBondContact O-CA 3.28Å; G129-S167 WeakPolarHBondContact O-CB 3.46Å; G129-V168 PolarHBondContact O-N 2.95Å
130E97.7Very high96.8Very high80 Ų8054.7 Ų54.737%0.37430%0.298SS..  trans-81.7127.2176.1-167.8170.7173.400109.7T22 P23 F26 K128T22-E130 WeakPolarHBondContact CB-O 3.39Å; T22-E130 WeakPolarHBondContact CG2-O 3.48Å; T22-E130 PolarHBondContact OG1-O 3.35Å; T22-E130 VanDerWaalsContact OG1-O 3.12Å; P23-E130 HydrophobicContact CG-CG 4.05Å; F26-E130 HydrophobicContact CB-CB 4.03Å; F26-E130 HydrophobicContact CD1-CB 4.27Å; F26-E130 HydrophobicContact CD2-CB 3.45Å; F26-E130 VanDerWaalsContact CD2-CB 3.45Å; F26-E130 HydrophobicContact CE2-CB 3.94Å; F26-E130 HydrophobicContact CG-CB 3.64Å; K128-E130 PolarHBondContact O-N 3.06Å
131I96.8Very high96.8Very high7 Ų755.2 Ų55.24%0.03630%0.297CS..  trans-131.4144.7174.860.3-178.5000108.7T21 V136 F164 V168 E169 V172T21-I131 CarbonylContact O-C 3.54Å; T21-I131 VanDerWaalsContact O-CA 3.28Å; T21-I131 WeakPolarHBondContact O-CA 3.5Å; I131-V136 HydrophobicContact CD1-CG2 3.52Å; I131-F164 HydrophobicContact CG2-CD1 4.19Å; I131-F164 HydrophobicContact CG2-CE1 3.99Å; I131-V168 HydrophobicContact CG1-CG2 4.26Å; I131-E169 HydrophobicContact CD1-CB 3.98Å; I131-E169 HydrophobicContact CD1-CG 3.72Å; I131-E169 HydrophobicContact CG1-CG 3.96Å; I131-V172 HydrophobicContact CD1-CG2 4.27Å
132Y96.4Very high96.7Very high83 Ų8356.7 Ų56.733%0.32530%0.302SS..  trans-63.2142.3179.1-67.5-65.7000110.8T20 T21 P23 D134 V135T20-Y132 WeakPolarHBondContact O-CD2 3.29Å; T21-Y132 PolarHBondContact O-N 2.87Å; P23-Y132 WeakPolarHBondContact CA-OH 3.34Å; P23-Y132 HydrophobicContact CB-CE1 4.28Å; P23-Y132 HydrophobicContact CG-CD1 4.17Å; P23-Y132 HydrophobicContact CG-CE1 3.64Å; Y132-D134 PolarHBondContact O-N 3.37Å; Y132-V135 WeakPolarHBondContact O-CB 3.49Å; Y132-V135 PolarHBondContact O-N 2.71Å
133P95.8Very high96.7Very high103 Ų10360 Ų6067%0.66932%0.315SS*.THydrogen-bonded Turntrans-59.3-24.4-174.2-26.334.8000114.9P137P133-P137 VanDerWaalsContact O-CD 3.24Å; P133-P137 WeakPolarHBondContact O-CD 3.47Å
134D95Very high96.7Very high76 Ų7663.9 Ų63.941%0.40633%0.327SS..THydrogen-bonded Turntrans-85.8-12.5179.658.8-71.9000114.1Y132 S138Y132-D134 PolarHBondContact O-N 3.37Å; D134-S138 WeakPolarHBondContact O-CB 3.24Å; D134-S138 PolarHBondContact O-N 3.37Å; D134-S138 VanDerWaalsContact O-N 3.08Å; D134-S138 PolarHBondContact O-OG 2.6Å
135V96.2Very high96.7Very high11 Ų1169.2 Ų69.27%0.06734%0.336CS..Hα-helixtrans-65.9-55-176.5171.40000111.5T21 Y132 S138 V139T21-V135 HydrophobicContact CG2-CG1 3.91Å; T21-V135 HydrophobicContact CG2-CG2 4.24Å; Y132-V135 WeakPolarHBondContact O-CB 3.49Å; Y132-V135 PolarHBondContact O-N 2.71Å; V135-S138 PolarHBondContact O-N 3.02Å; V135-V139 HydrophobicContact CG1-CG2 4.3Å; V135-V139 VanDerWaalsContact O-CG2 3.32Å; V135-V139 WeakPolarHBondContact O-CG2 3.19Å; V135-V139 PolarHBondContact O-N 2.74Å
136V97.5Very high96.7Very high11 Ų1170 Ų707%0.06734%0.344CS..Hα-helixtrans-61.1-48-177.2168.60000112.2I131 S138 V139 K140 E169 V172 L175I131-V136 HydrophobicContact CD1-CG2 3.52Å; V136-S138 VanDerWaalsContact C-N 3.32Å; V136-S138 PolarHBondContact O-N 3.38Å; V136-V139 PolarHBondContact O-N 3.39Å; V136-K140 HydrophobicContact CG1-CD 4.17Å; V136-K140 WeakPolarHBondContact O-CG 3.25Å; V136-K140 PolarHBondContact O-N 2.98Å; V136-E169 HydrophobicContact CG2-CB 4.27Å; V136-E169 HydrophobicContact CG2-CG 4.17Å; V136-V172 HydrophobicContact CG2-CG1 3.95Å; V136-L175 HydrophobicContact CB-CD1 4.37Å; V136-L175 HydrophobicContact CG1-CD1 3.92Å; V136-L175 HydrophobicContact CG2-CD1 4.17Å
137P96.9Very high96.7Very high70 Ų7062.8 Ų62.846%0.45532%0.318SS..Hα-helixtrans-59.4-40174.6-24.634.4000113.5P133 T141P133-P137 VanDerWaalsContact O-CD 3.24Å; P133-P137 WeakPolarHBondContact O-CD 3.47Å; P137-T141 PolarHBondContact O-N 3.47Å; P137-T141 PolarHBondContact O-OG1 3.25Å
138S96.1Very high96.8Very high35 Ų3567 Ų6725%0.24534%0.336CS..Hα-helixtrans-66.5-47.9179.8-61.80000111.4D134 V135 V136 K140 T141 W142D134-S138 WeakPolarHBondContact O-CB 3.24Å; D134-S138 PolarHBondContact O-N 3.37Å; D134-S138 VanDerWaalsContact O-N 3.08Å; D134-S138 PolarHBondContact O-OG 2.6Å; V135-S138 PolarHBondContact O-N 3.02Å; V136-S138 VanDerWaalsContact C-N 3.32Å; V136-S138 PolarHBondContact O-N 3.38Å; S138-K140 PolarHBondContact O-N 3.1Å; S138-T141 WeakPolarHBondContact O-CB 3.38Å; S138-T141 PolarHBondContact O-N 3.25Å; S138-T141 VanDerWaalsContact O-N 3.16Å; S138-W142 PolarHBondContact O-N 2.93Å
139V97.1Very high96.8Very high1 Ų160.9 Ų60.91%0.00631%0.31CS..Hα-helixtrans-60.8-44.1178.3175.40000111.2L15 V135 V136 T141 W142 R143 V149 L175 F176L15-V139 HydrophobicContact CD1-CG2 3.97Å; V135-V139 HydrophobicContact CG1-CG2 4.3Å; V135-V139 VanDerWaalsContact O-CG2 3.32Å; V135-V139 WeakPolarHBondContact O-CG2 3.19Å; V135-V139 PolarHBondContact O-N 2.74Å; V136-V139 PolarHBondContact O-N 3.39Å; V139-T141 VanDerWaalsContact C-N 3.34Å; V139-T141 PolarHBondContact O-N 2.92Å; V139-W142 HydrophobicContact CB-CE3 4.36Å; V139-W142 HydrophobicContact CG2-CE3 3.96Å; V139-W142 HydrophobicContact CG2-CZ3 3.87Å; V139-W142 PolarHBondContact O-N 3.17Å; V139-R143 HydrophobicContact CG1-CG 4.38Å; V139-R143 WeakPolarHBondContact O-CG 3.41Å; V139-R143 PolarHBondContact O-N 3.42Å; V139-V149 HydrophobicContact CG1-CB 4.29Å; V139-V149 HydrophobicContact CG1-CG1 4.1Å; V139-V149 HydrophobicContact CG1-CG2 4.14Å; V139-V149 HydrophobicContact CG2-CG1 4.36Å; V139-L175 HydrophobicContact CG1-CB 3.75Å; V139-L175 HydrophobicContact CG1-CD1 4.42Å; V139-F176 HydrophobicContact CG1-CE1 4.5Å; V139-F176 HydrophobicContact CG2-CE1 4.37Å
140K97.4Very high96.9Very high108 Ų10862.2 Ų62.247%0.4732%0.315SS..Hα-helixtrans-57.1-47.2174.6-75176.7177.41760111.9V136 S138 W142 R143 E144 L175V136-K140 HydrophobicContact CG1-CD 4.17Å; V136-K140 WeakPolarHBondContact O-CG 3.25Å; V136-K140 PolarHBondContact O-N 2.98Å; S138-K140 PolarHBondContact O-N 3.1Å; K140-W142 VanDerWaalsContact C-N 3.3Å; K140-W142 PolarHBondContact O-N 2.71Å; K140-R143 PolarHBondContact O-N 3.28Å; K140-E144 WeakPolarHBondContact O-CG 3.29Å; K140-E144 PolarHBondContact O-N 3.44Å; K140-L175 HydrophobicContact CG-CD1 4.5Å; K140-L175 HydrophobicContact CG-CD2 3.79Å
141T96.6Very high96.9Very high54 Ų5458.4 Ų58.433%0.33130%0.297SS..Hα-helixtrans-60.2-39.7177.9-57.40000112P137 S138 V139 R145P137-T141 PolarHBondContact O-N 3.47Å; P137-T141 PolarHBondContact O-OG1 3.25Å; S138-T141 WeakPolarHBondContact O-CB 3.38Å; S138-T141 PolarHBondContact O-N 3.25Å; S138-T141 VanDerWaalsContact O-N 3.16Å; V139-T141 VanDerWaalsContact C-N 3.34Å; V139-T141 PolarHBondContact O-N 2.92Å; T141-R145 WeakPolarHBondContact O-CG 3.47Å; T141-R145 PolarHBondContact O-N 3.5Å
142W96.5Very high96.9Very high31 Ų3158.1 Ų58.112%0.11730%0.295CS..Hα-helixtrans-67.9-42.1177.7-60.6-30.2000112.2I6 L13 L15 S138 V139 K140 E144 R145 G146 L147 V149 L210I6-W142 HydrophobicContact CD1-CD2 4.41Å; I6-W142 HydrophobicContact CD1-CG 4.22Å; L13-W142 HydrophobicContact CD1-CB 3.83Å; L13-W142 HydrophobicContact CD1-CD2 3.26Å; L13-W142 HydrophobicContact CD1-CE3 3.22Å; L13-W142 HydrophobicContact CD1-CG 3.55Å; L13-W142 HydrophobicContact CD1-CH2 4.49Å; L13-W142 HydrophobicContact CD1-CZ3 3.89Å; L15-W142 HydrophobicContact CD1-CZ3 4.25Å; L15-W142 HydrophobicContact CD2-CZ3 4.11Å; S138-W142 PolarHBondContact O-N 2.93Å; V139-W142 HydrophobicContact CB-CE3 4.36Å; V139-W142 HydrophobicContact CG2-CE3 3.96Å; V139-W142 HydrophobicContact CG2-CZ3 3.87Å; V139-W142 PolarHBondContact O-N 3.17Å; K140-W142 VanDerWaalsContact C-N 3.3Å; K140-W142 PolarHBondContact O-N 2.71Å; W142-E144 PolarHBondContact O-N 3.49Å; W142-R145 WeakPolarHBondContact O-CB 3.24Å; W142-R145 PolarHBondContact O-N 3.33Å; W142-R145 VanDerWaalsContact O-N 3.12Å; W142-G146 PolarHBondContact O-N 3.4Å; W142-L147 HydrophobicContact CB-CB 4.3Å; W142-L147 HydrophobicContact CB-CD1 4.03Å; W142-L147 HydrophobicContact CG-CD1 4.38Å; W142-L147 WeakPolarHBondContact O-CB 3.21Å; W142-L147 PolarHBondContact O-N 2.95Å; W142-L147 VanDerWaalsContact O-N 3.11Å; W142-V149 HydrophobicContact CB-CG2 4.48Å; W142-L210 HydrophobicContact CH2-CD1 3.86Å; W142-L210 HydrophobicContact CZ2-CD1 4.44Å; W142-L210 HydrophobicContact CZ3-CD1 4.44Å
143R97.3Very high96.8Very high76 Ų7654.7 Ų54.729%0.28728%0.284SS..Hα-helixtrans-63.6-40.2176-67.1-176.280.664.810.3112.6V139 K140 R145 G146 V149 L175 D177V139-R143 HydrophobicContact CG1-CG 4.38Å; V139-R143 WeakPolarHBondContact O-CG 3.41Å; V139-R143 PolarHBondContact O-N 3.42Å; K140-R143 PolarHBondContact O-N 3.28Å; R143-R145 PolarHBondContact O-N 3.34Å; R143-G146 WeakPolarHBondContact O-CA 3.44Å; R143-G146 PolarHBondContact O-N 2.92Å; R143-V149 HydrophobicContact CG-CG2 4.17Å; R143-L175 VanDerWaalsContact CD-O 3.31Å; R143-L175 WeakPolarHBondContact CD-O 3.42Å; R143-L175 PolarHBondContact NH1-O 2.99Å; R143-D177 IonicContact CZ-OD1 3.83Å; R143-D177 IonicContact CZ-OD2 3.64Å; R143-D177 VanDerWaalsContact NH1-CG 3.33Å; R143-D177 IonicContact NH1-OD1 3.95Å; R143-D177 IonicContact NH1-OD2 3.99Å; R143-D177 PolarHBondContact NH1-OD2 3.08Å; R143-D177 IonicContact NH2-OD1 3.14Å; R143-D177 PolarHBondContact NH2-OD1 3.21Å; R143-D177 VanDerWaalsContact NH2-OD1 3.13Å; R143-D177 IonicContact NH2-OD2 3.18Å
144E96.9Very high96.5Very high167 Ų16752 Ų5278%0.7827%0.268SS*.Hα-helixtrans-60.5-28174.6-74.8173.4-176.100112.5K140 W142 G146K140-E144 WeakPolarHBondContact O-CG 3.29Å; K140-E144 PolarHBondContact O-N 3.44Å; W142-E144 PolarHBondContact O-N 3.49Å; E144-G146 PolarHBondContact O-N 3Å
145R94.8Very high96.2Very high185 Ų18549.7 Ų49.770%0.69826%0.262SS*.THydrogen-bonded Turntrans-83.43.4173.5-64.6173.8-173.4-170.22.6113.5T141 W142 R143T141-R145 WeakPolarHBondContact O-CG 3.47Å; T141-R145 PolarHBondContact O-N 3.5Å; W142-R145 WeakPolarHBondContact O-CB 3.24Å; W142-R145 PolarHBondContact O-N 3.33Å; W142-R145 VanDerWaalsContact O-N 3.12Å; R143-R145 PolarHBondContact O-N 3.34Å
146G96.3Very high95.9Very high61 Ų6150.3 Ų50.363%0.62927%0.266SS*.THydrogen-bonded Turntrans84.37179.200000114.9W142 R143 E144W142-G146 PolarHBondContact O-N 3.4Å; R143-G146 WeakPolarHBondContact O-CA 3.44Å; R143-G146 PolarHBondContact O-N 2.92Å; E144-G146 PolarHBondContact O-N 3Å
147L97.3Very high95.8Very high24 Ų2451.6 Ų51.613%0.12627%0.274CS..  trans-74140176.3-61.3176.4000110.8I6 T10 L13 W142I6-L147 HydrophobicContact CD1-CD1 3.97Å; I6-L147 HydrophobicContact CG2-CD1 4.36Å; T10-L147 HydrophobicContact CG2-CD2 4.45Å; T10-L147 WeakPolarHBondContact O-CD2 3.25Å; L13-L147 HydrophobicContact CD1-CD1 4.04Å; L13-L147 HydrophobicContact CG-CD1 4.33Å; W142-L147 HydrophobicContact CB-CB 4.3Å; W142-L147 HydrophobicContact CB-CD1 4.03Å; W142-L147 HydrophobicContact CG-CD1 4.38Å; W142-L147 WeakPolarHBondContact O-CB 3.21Å; W142-L147 PolarHBondContact O-N 2.95Å; W142-L147 VanDerWaalsContact O-N 3.11Å
148K98.4Very high95.7Very high95 Ų9551.7 Ų51.741%0.41327%0.268SS..EExtended strand (participates in β ladder)trans-82145.2167.3-65-65.9-172.7-176.80110.1T11 A12 L13 Y150 D177T11-K148 PolarHBondContact O-N 3.19Å; A12-K148 CarbonylContact C-O 3.5Å; A12-K148 WeakPolarHBondContact CA-O 3.39Å; A12-K148 HydrophobicContact CB-CB 4.22Å; L13-K148 PolarHBondContact N-O 3.08Å; K148-Y150 HydrophobicContact CB-CD2 4.34Å; K148-Y150 HydrophobicContact CB-CE2 3.56Å; K148-D177 VanDerWaalsContact CA-OD2 3.29Å; K148-D177 WeakPolarHBondContact CA-OD2 3.25Å; K148-D177 HydrophobicContact CD-CB 4.17Å; K148-D177 VanDerWaalsContact CD-OD1 3.25Å; K148-D177 WeakPolarHBondContact CD-OD1 3.11Å; K148-D177 WeakPolarHBondContact CD-OD2 3.49Å; K148-D177 IonicContact NZ-OD1 2.74Å; K148-D177 PolarHBondContact NZ-OD1 3.36Å
149V98.5Very high95.6Very high0 Ų050.7 Ų50.70%026%0.263CS..EExtended strand (participates in β ladder)trans-130.4123.1-177.7-1710000109.8L13 L15 V139 W142 R143 F176 D177L13-V149 HydrophobicContact CB-CG1 4.46Å; L13-V149 HydrophobicContact CB-CG2 4.46Å; L13-V149 HydrophobicContact CD1-CG2 4.45Å; L13-V149 CarbonylContact O-C 3.58Å; L13-V149 WeakPolarHBondContact O-CA 3.41Å; L15-V149 HydrophobicContact CD1-CG1 3.61Å; L15-V149 HydrophobicContact CG-CG1 3.98Å; V139-V149 HydrophobicContact CG1-CB 4.29Å; V139-V149 HydrophobicContact CG1-CG1 4.1Å; V139-V149 HydrophobicContact CG1-CG2 4.14Å; V139-V149 HydrophobicContact CG2-CG1 4.36Å; W142-V149 HydrophobicContact CB-CG2 4.48Å; R143-V149 HydrophobicContact CG-CG2 4.17Å; V149-F176 HydrophobicContact CG1-CD1 3.98Å; V149-F176 HydrophobicContact CG1-CE1 4.28Å; V149-F176 CarbonylContact O-C 3.58Å; V149-F176 WeakPolarHBondContact O-CA 3.44Å; V149-D177 PolarHBondContact N-OD2 2.86Å; V149-D177 PolarHBondContact O-N 2.86Å
150Y98.8Very high95.7Very high29 Ų2950.8 Ų50.811%0.11426%0.263CS..EExtended strand (participates in β ladder)trans-124.6155.1-177.4-63.1-88.1000110.6A12 L13 L14 L15 K148 D177 G178 F180 I200A12-Y150 HydrophobicContact CB-CD2 4.27Å; A12-Y150 HydrophobicContact CB-CE2 4.14Å; L13-Y150 PolarHBondContact O-N 3.39Å; L14-Y150 CarbonylContact C-O 3.59Å; L15-Y150 PolarHBondContact N-O 3.22Å; K148-Y150 HydrophobicContact CB-CD2 4.34Å; K148-Y150 HydrophobicContact CB-CE2 3.56Å; Y150-D177 HydrophobicContact CD1-CB 4.27Å; Y150-D177 HydrophobicContact CE1-CB 3.68Å; Y150-D177 HydrophobicContact CE2-CB 4.33Å; Y150-G178 WeakPolarHBondContact CA-O 3.48Å; Y150-F180 AromaticContact CD1-CE2 3.76Å; Y150-F180 HydrophobicContact CD1-CE2 3.76Å; Y150-F180 HydrophobicContact CG-CE2 4.07Å; Y150-I200 HydrophobicContact CD1-CD1 4.46Å; Y150-I200 HydrophobicContact CD1-CG1 4.38Å; Y150-I200 HydrophobicContact CD2-CD1 3.59Å; Y150-I200 HydrophobicContact CD2-CG1 4.1Å; Y150-I200 HydrophobicContact CE1-CG1 4.08Å; Y150-I200 HydrophobicContact CE2-CB 4.4Å; Y150-I200 HydrophobicContact CE2-CD1 3.66Å; Y150-I200 HydrophobicContact CE2-CG1 3.74Å; Y150-I200 HydrophobicContact CE2-CG2 3.77Å; Y150-I200 HydrophobicContact CG-CD1 4.02Å; Y150-I200 HydrophobicContact CG-CG1 4.41Å
151I98.5Very high95.7Very high0 Ų050.7 Ų50.70%026%0.262CS..EExtended strand (participates in β ladder)trans-103.7139.3172.5-59.2-57.8000110L15 I17 Q160 F164 F176 G178 H179 F180L15-I151 HydrophobicContact CB-CD1 3.96Å; L15-I151 HydrophobicContact CD1-CD1 4.42Å; L15-I151 CarbonylContact O-C 3.5Å; L15-I151 WeakPolarHBondContact O-CA 3.25Å; I17-I151 HydrophobicContact CD1-CG2 3.77Å; I17-I151 HydrophobicContact CG1-CG2 3.75Å; I151-Q160 HydrophobicContact CG2-CG 4.4Å; I151-F164 HydrophobicContact CD1-CE2 3.79Å; I151-F164 HydrophobicContact CD1-CZ 3.78Å; I151-F164 HydrophobicContact CG1-CD2 4.38Å; I151-F164 HydrophobicContact CG1-CE2 3.74Å; I151-F164 HydrophobicContact CG1-CZ 4.26Å; I151-F164 HydrophobicContact CG2-CE2 4.2Å; I151-F176 HydrophobicContact CD1-CD1 3.62Å; I151-F176 HydrophobicContact CD1-CE1 3.49Å; I151-F176 VanDerWaalsContact CD1-CE1 3.49Å; I151-F176 HydrophobicContact CD1-CG 4.29Å; I151-F176 HydrophobicContact CD1-CZ 4.04Å; I151-F176 HydrophobicContact CG1-CD1 3.82Å; I151-F176 HydrophobicContact CG1-CD2 4.5Å; I151-F176 HydrophobicContact CG1-CE1 4.13Å; I151-F176 HydrophobicContact CG1-CG 4.02Å; I151-G178 PolarHBondContact N-O 3.48Å; I151-H179 CarbonylContact O-C 3.59Å; I151-F180 PolarHBondContact O-N 2.9Å
152Y97.7Very high95.8Very high0 Ų048.8 Ų48.80%025%0.25CS..EExtended strand (participates in β ladder)trans-135.4111.8167.8-177.8-148000111.7L14 L15 F180 I184 G185 A186 K187 S192 Y193 I196L14-Y152 HydrophobicContact CD2-CD1 3.92Å; L14-Y152 HydrophobicContact CD2-CG 4.33Å; L15-Y152 PolarHBondContact O-N 2.7Å; Y152-F180 WeakPolarHBondContact CA-O 3.48Å; Y152-F180 HydrophobicContact CD2-CB 3.64Å; Y152-F180 HydrophobicContact CE2-CB 4.38Å; Y152-F180 HydrophobicContact CG-CB 4.22Å; Y152-I184 HydrophobicContact CD2-CG2 4.45Å; Y152-I184 HydrophobicContact CE2-CG2 3.7Å; Y152-G185 PolarHBondContact OH-O 3.41Å; Y152-A186 PolarHBondContact OH-O 3.02Å; Y152-K187 HydrophobicContact CD1-CG 4.15Å; Y152-K187 HydrophobicContact CE1-CB 4.24Å; Y152-K187 HydrophobicContact CE1-CG 3.64Å; Y152-K187 HydrophobicContact CE2-CG 4.21Å; Y152-K187 PolarHBondContact OH-N 2.93Å; Y152-S192 WeakPolarHBondContact OH-CB 3.39Å; Y152-Y193 HydrophobicContact CD1-CE1 4.13Å; Y152-Y193 HydrophobicContact CE1-CE1 4.01Å; Y152-I196 HydrophobicContact CD1-CD1 3.66Å; Y152-I196 HydrophobicContact CD2-CD1 4.11Å; Y152-I196 HydrophobicContact CE1-CD1 3.73Å; Y152-I196 HydrophobicContact CE2-CD1 4.2Å; Y152-I196 HydrophobicContact CG-CD1 3.86Å
153S93.8Very high95.8Very high12 Ų1247.6 Ų47.68%0.08425%0.246CC..  trans-138.8163.4-176.7178.70000112.1G155 F180 D181S153-G155 VanDerWaalsContact C-N 3.31Å; S153-G155 PolarHBondContact OG-N 3.26Å; S153-F180 PolarHBondContact N-O 3.2Å; S153-D181 VanDerWaalsContact O-CA 3.26Å; S153-D181 WeakPolarHBondContact O-CA 3.34Å
154S88.7Confident95.9Very high47 Ų4744 Ų4433%0.32923%0.233SC..SBendtrans-76-20.517471.20000113.6K111K111-S154 PolarHBondContact NZ-O 2.96Å
155G88.7Confident96Very high27 Ų2736.6 Ų36.628%0.27820%0.201SC..SBendtrans-68.5147.8170.700000111.3S153 Q160 D181S153-G155 VanDerWaalsContact C-N 3.31Å; S153-G155 PolarHBondContact OG-N 3.26Å; G155-Q160 PolarHBondContact O-NE2 3.13Å; G155-D181 WeakPolarHBondContact O-CB 3.34Å
156S91Very high96.1Very high24 Ų2432.2 Ų32.217%0.16819%0.185CC..  trans-59.6150.9-178.963.60000111.7E158 A159 Q160 D181S156-E158 PolarHBondContact O-N 2.99Å; S156-E158 VanDerWaalsContact O-N 3.13Å; S156-A159 PolarHBondContact O-N 3.19Å; S156-A159 WeakPolarHBondContact OG-CB 3.37Å; S156-A159 PolarHBondContact OG-N 3.16Å; S156-Q160 WeakPolarHBondContact O-CG 3.45Å; S156-Q160 PolarHBondContact O-N 3.48Å; S156-D181 VanDerWaalsContact CA-OD2 3.31Å; S156-D181 WeakPolarHBondContact CA-OD2 3.28Å
157V95.3Very high96.2Very high38 Ų3829.5 Ų29.523%0.2316%0.157CC..Hα-helixtrans-52.7-35.9174.8168.20000112Q160 K161 H179 D181V157-Q160 PolarHBondContact O-N 3.36Å; V157-K161 HydrophobicContact CG1-CD 4.29Å; V157-K161 WeakPolarHBondContact O-CG 3.28Å; V157-K161 PolarHBondContact O-N 2.94Å; V157-H179 HydrophobicContact CB-CB 4.33Å; V157-H179 HydrophobicContact CG1-CB 3.74Å; V157-H179 HydrophobicContact CG2-CB 3.94Å; V157-D181 HydrophobicContact CG2-CB 4.1Å; V157-D181 PolarHBondContact N-OD2 3.46Å
158E94.7Very high96.2Very high71 Ų7132 Ų3233%0.33217%0.172SC..Hα-helixtrans-61.4-49.6173.8-176.2176.3-175.400112R119 S156 Q160 K161 L162R119-E158 IonicContact CZ-OE1 2.71Å; R119-E158 IonicContact NH1-OE1 2.86Å; R119-E158 PolarHBondContact NH1-OE1 2.78Å; S156-E158 PolarHBondContact O-N 2.99Å; S156-E158 VanDerWaalsContact O-N 3.13Å; E158-Q160 VanDerWaalsContact C-N 3.29Å; E158-Q160 PolarHBondContact O-N 3.3Å; E158-K161 PolarHBondContact O-N 3.38Å; E158-K161 VanDerWaalsContact O-N 3.11Å; E158-L162 HydrophobicContact CG-CD1 4.37Å; E158-L162 WeakPolarHBondContact O-CG 3.17Å; E158-L162 PolarHBondContact O-N 2.98Å
159A94.1Very high96Very high15 Ų1532.9 Ų32.912%0.12418%0.178CC..Hα-helixtrans-62.2-36.9178.100000112.3W118 S156 L162 L163W118-A159 HydrophobicContact CE3-CB 4.11Å; W118-A159 HydrophobicContact CZ3-CB 4.18Å; S156-A159 PolarHBondContact O-N 3.19Å; S156-A159 WeakPolarHBondContact OG-CB 3.37Å; S156-A159 PolarHBondContact OG-N 3.16Å; A159-L162 PolarHBondContact O-N 3.24Å; A159-L163 PolarHBondContact O-N 2.78Å
160Q97.6Very high95.9Very high2 Ų234.5 Ų34.51%0.00920%0.195CC..Hα-helixtrans-61.9-44.9173.6-59.6175.72400111I17 I151 G155 S156 V157 E158 L162 L163 F164 H179 F180I17-Q160 HydrophobicContact CD1-CB 4.17Å; I17-Q160 HydrophobicContact CD1-CG 3.67Å; I151-Q160 HydrophobicContact CG2-CG 4.4Å; G155-Q160 PolarHBondContact O-NE2 3.13Å; S156-Q160 WeakPolarHBondContact O-CG 3.45Å; S156-Q160 PolarHBondContact O-N 3.48Å; V157-Q160 PolarHBondContact O-N 3.36Å; E158-Q160 VanDerWaalsContact C-N 3.29Å; E158-Q160 PolarHBondContact O-N 3.3Å; Q160-L162 VanDerWaalsContact C-N 3.33Å; Q160-L162 PolarHBondContact O-N 2.9Å; Q160-L163 WeakPolarHBondContact O-CB 3.25Å; Q160-L163 PolarHBondContact O-N 2.86Å; Q160-F164 WeakPolarHBondContact O-CD2 3.47Å; Q160-F164 PolarHBondContact O-N 3.35Å; Q160-F164 VanDerWaalsContact O-N 3.15Å; Q160-H179 PolarHBondContact OE1-ND1 3.23Å; Q160-H179 VanDerWaalsContact OE1-ND1 3.08Å; Q160-F180 PolarHBondContact NE2-O 3.37Å
161K98.2Very high95.9Very high106 Ų10638.5 Ų38.546%0.46122%0.218SC..Hα-helixtrans-65.5-37.2178.6-73.8178.7176.6-174.60112.4V157 E158 G165 L173V157-K161 HydrophobicContact CG1-CD 4.29Å; V157-K161 WeakPolarHBondContact O-CG 3.28Å; V157-K161 PolarHBondContact O-N 2.94Å; E158-K161 PolarHBondContact O-N 3.38Å; E158-K161 VanDerWaalsContact O-N 3.11Å; K161-G165 WeakPolarHBondContact O-CA 3.37Å; K161-G165 PolarHBondContact O-N 3.38Å; K161-L173 HydrophobicContact CB-CD2 4.15Å; K161-L173 HydrophobicContact CG-CD2 4.13Å
162L98.1Very high95.9Very high14 Ų1439 Ų397%0.07322%0.222CC..Hα-helixtrans-62.8-45.5174-69.8170.7000111.6W118 R119 Y122 E158 A159 Q160 F164 Y166W118-L162 HydrophobicContact CB-CD1 4.2Å; R119-L162 HydrophobicContact CB-CD1 3.92Å; R119-L162 HydrophobicContact CB-CD2 4.15Å; R119-L162 HydrophobicContact CG-CD2 4.1Å; Y122-L162 HydrophobicContact CD2-CB 3.59Å; Y122-L162 HydrophobicContact CD2-CD1 4.3Å; Y122-L162 HydrophobicContact CD2-CG 4.36Å; Y122-L162 HydrophobicContact CE2-CB 3.84Å; Y122-L162 HydrophobicContact CG-CB 4.24Å; E158-L162 HydrophobicContact CG-CD1 4.37Å; E158-L162 WeakPolarHBondContact O-CG 3.17Å; E158-L162 PolarHBondContact O-N 2.98Å; A159-L162 PolarHBondContact O-N 3.24Å; Q160-L162 VanDerWaalsContact C-N 3.33Å; Q160-L162 PolarHBondContact O-N 2.9Å; L162-F164 PolarHBondContact O-N 3.35Å; L162-Y166 HydrophobicContact CD2-CD2 4.26Å; L162-Y166 HydrophobicContact CD2-CE2 3.97Å; L162-Y166 WeakPolarHBondContact O-CD2 3.41Å; L162-Y166 PolarHBondContact O-N 3.42Å; L162-Y166 VanDerWaalsContact O-N 3.1Å
163L98.1Very high95.9Very high7 Ų741.3 Ų41.34%0.03723%0.233CC..Hα-helixtrans-55.9-51.6178178.573.2000112I17 F26 Y122 A159 Q160 S167I17-L163 HydrophobicContact CD1-CD2 3.99Å; I17-L163 HydrophobicContact CG1-CD2 4.5Å; I17-L163 HydrophobicContact CG2-CD2 3.56Å; F26-L163 HydrophobicContact CD1-CD1 4.08Å; F26-L163 HydrophobicContact CE1-CD1 3.45Å; F26-L163 VanDerWaalsContact CE1-CD1 3.45Å; F26-L163 HydrophobicContact CZ-CD1 4.33Å; Y122-L163 WeakPolarHBondContact OH-CD1 3.46Å; A159-L163 PolarHBondContact O-N 2.78Å; Q160-L163 WeakPolarHBondContact O-CB 3.25Å; Q160-L163 PolarHBondContact O-N 2.86Å; L163-S167 PolarHBondContact O-N 3.19Å
164F98.5Very high96.1Very high0 Ų048 Ų480%027%0.268CS..Hα-helixtrans-81-30.3-176.2-68.8-65.6000113.5I17 I131 I151 Q160 L162 V172 L173 F176I17-F164 HydrophobicContact CD1-CE2 3.98Å; I17-F164 HydrophobicContact CD1-CZ 4.49Å; I17-F164 HydrophobicContact CG1-CE2 4.18Å; I17-F164 HydrophobicContact CG1-CZ 4.25Å; I131-F164 HydrophobicContact CG2-CD1 4.19Å; I131-F164 HydrophobicContact CG2-CE1 3.99Å; I151-F164 HydrophobicContact CD1-CE2 3.79Å; I151-F164 HydrophobicContact CD1-CZ 3.78Å; I151-F164 HydrophobicContact CG1-CD2 4.38Å; I151-F164 HydrophobicContact CG1-CE2 3.74Å; I151-F164 HydrophobicContact CG1-CZ 4.26Å; I151-F164 HydrophobicContact CG2-CE2 4.2Å; Q160-F164 WeakPolarHBondContact O-CD2 3.47Å; Q160-F164 PolarHBondContact O-N 3.35Å; Q160-F164 VanDerWaalsContact O-N 3.15Å; L162-F164 PolarHBondContact O-N 3.35Å; F164-V172 HydrophobicContact CB-CG2 4.03Å; F164-V172 HydrophobicContact CD1-CG2 4.02Å; F164-V172 VanDerWaalsContact O-CG2 3.25Å; F164-V172 WeakPolarHBondContact O-CG2 3.1Å; F164-V172 PolarHBondContact O-N 3.3Å; F164-V172 VanDerWaalsContact O-N 3.08Å; F164-L173 HydrophobicContact CB-CD2 3.79Å; F164-L173 HydrophobicContact CB-CG 4.46Å; F164-F176 HydrophobicContact CB-CD2 4.47Å; F164-F176 HydrophobicContact CB-CE2 3.98Å; F164-F176 AromaticContact CD1-CE2 3.45Å; F164-F176 HydrophobicContact CD1-CE2 3.45Å; F164-F176 VanDerWaalsContact CD1-CE2 3.45Å; F164-F176 AromaticContact CD1-CZ 3.73Å; F164-F176 HydrophobicContact CD1-CZ 3.73Å; F164-F176 HydrophobicContact CD2-CD2 4.45Å; F164-F176 HydrophobicContact CD2-CE2 4.02Å; F164-F176 AromaticContact CE1-CE2 3.87Å; F164-F176 HydrophobicContact CE1-CE2 3.87Å; F164-F176 AromaticContact CE1-CZ 3.65Å; F164-F176 HydrophobicContact CE1-CZ 3.65Å; F164-F176 HydrophobicContact CE2-CE2 4.4Å; F164-F176 HydrophobicContact CG-CD2 4.25Å; F164-F176 AromaticContact CG-CE2 3.54Å; F164-F176 HydrophobicContact CG-CE2 3.54Å; F164-F176 HydrophobicContact CG-CZ 4.2Å; F164-F176 HydrophobicContact CZ-CE2 4.33Å; F164-F176 HydrophobicContact CZ-CZ 4.07Å
165G98.4Very high96.6Very high11 Ų1146.8 Ų46.811%0.11326%0.258CS..Hα-helixtrans-74.6-24.9178.700000113.8K161 D171K161-G165 WeakPolarHBondContact O-CA 3.37Å; K161-G165 PolarHBondContact O-N 3.38Å; G165-D171 WeakPolarHBondContact O-CA 3.42Å; G165-D171 WeakPolarHBondContact O-CB 3.15Å
166Y98.3Very high97Very high94 Ų9446.4 Ų46.437%0.36925%0.249SC..THydrogen-bonded Turntrans-118.635.2178.9-63.6-91.9000111.5Y122 T123 K128 G129 L162Y122-Y166 HydrophobicContact CD1-CG 4.35Å; Y122-Y166 HydrophobicContact CG-CD2 4.42Å; Y122-Y166 HydrophobicContact CG-CG 4.43Å; Y122-Y166 WeakPolarHBondContact O-CD1 3.45Å; T123-Y166 PolarHBondContact OG1-OH 3.09Å; K128-Y166 CarbonylContact C-O 3.59Å; K128-Y166 WeakPolarHBondContact CA-O 3.34Å; G129-Y166 PolarHBondContact N-O 3.17Å; L162-Y166 HydrophobicContact CD2-CD2 4.26Å; L162-Y166 HydrophobicContact CD2-CE2 3.97Å; L162-Y166 WeakPolarHBondContact O-CD2 3.41Å; L162-Y166 PolarHBondContact O-N 3.42Å; L162-Y166 VanDerWaalsContact O-N 3.1Å
167S97.8Very high97.4Very high4 Ų447.6 Ų47.63%0.02825%0.253CS..BIsolated β-bridgetrans-71.3165.2-176.187.20000112.6G129 L163 E169 G170G129-S167 CarbonylContact O-C 3.59Å; G129-S167 WeakPolarHBondContact O-CA 3.28Å; G129-S167 WeakPolarHBondContact O-CB 3.46Å; L163-S167 PolarHBondContact O-N 3.19Å; S167-E169 PolarHBondContact O-N 3.48Å; S167-E169 PolarHBondContact OG-N 2.91Å; S167-E169 VanDerWaalsContact OG-N 3.14Å; S167-G170 WeakPolarHBondContact CB-O 3.4Å; S167-G170 PolarHBondContact N-O 2.76Å; S167-G170 PolarHBondContact O-N 3.34Å; S167-G170 PolarHBondContact OG-N 2.74Å; S167-G170 PolarHBondContact OG-O 2.97Å
168V96.9Very high97.5Very high76 Ų7646.7 Ų46.746%0.46125%0.252SS..THydrogen-bonded Turntrans-61.2-21.8171.3-66.40000112.9K128 G129 I131 G170K128-V168 HydrophobicContact CB-CG1 3.98Å; G129-V168 PolarHBondContact O-N 2.95Å; I131-V168 HydrophobicContact CG1-CG2 4.26Å; V168-G170 VanDerWaalsContact C-N 3.34Å
169E95.5Very high97.7Very high113 Ų11344.8 Ų44.853%0.52824%0.243SC..THydrogen-bonded Turntrans-90.75.7174.8-62.2-65140.500112.9I131 V136 S167 V172I131-E169 HydrophobicContact CD1-CB 3.98Å; I131-E169 HydrophobicContact CD1-CG 3.72Å; I131-E169 HydrophobicContact CG1-CG 3.96Å; V136-E169 HydrophobicContact CG2-CB 4.27Å; V136-E169 HydrophobicContact CG2-CG 4.17Å; S167-E169 PolarHBondContact O-N 3.48Å; S167-E169 PolarHBondContact OG-N 2.91Å; S167-E169 VanDerWaalsContact OG-N 3.14Å; E169-V172 HydrophobicContact CB-CG1 4.2Å
170G96.1Very high97.9Very high35 Ų3545 Ų4536%0.36124%0.241SC..BIsolated β-bridgetrans89.7-162.4-171.800000112.7S167 V168 V172S167-G170 WeakPolarHBondContact CB-O 3.4Å; S167-G170 PolarHBondContact N-O 2.76Å; S167-G170 PolarHBondContact O-N 3.34Å; S167-G170 PolarHBondContact OG-N 2.74Å; S167-G170 PolarHBondContact OG-O 2.97Å; V168-G170 VanDerWaalsContact C-N 3.34Å; G170-V172 PolarHBondContact O-N 2.87Å
171D98.3Very high97.7Very high112 Ų11245.7 Ų45.760%0.59925%0.245SC*.  trans-75117.1174.4-171.7-14.2000109.7G165 L173G165-D171 WeakPolarHBondContact O-CA 3.42Å; G165-D171 WeakPolarHBondContact O-CB 3.15Å; D171-L173 WeakPolarHBondContact OD1-CB 3.42Å; D171-L173 WeakPolarHBondContact OD1-CG 3.34Å; D171-L173 PolarHBondContact OD1-N 3.39Å
172V98.2Very high97.3Very high12 Ų1243.3 Ų43.37%0.07324%0.239CC..  trans-117.816.8179.2-61.90000112.8I131 V136 F164 E169 G170 D174 L175 F176I131-V172 HydrophobicContact CD1-CG2 4.27Å; V136-V172 HydrophobicContact CG2-CG1 3.95Å; F164-V172 HydrophobicContact CB-CG2 4.03Å; F164-V172 HydrophobicContact CD1-CG2 4.02Å; F164-V172 VanDerWaalsContact O-CG2 3.25Å; F164-V172 WeakPolarHBondContact O-CG2 3.1Å; F164-V172 PolarHBondContact O-N 3.3Å; F164-V172 VanDerWaalsContact O-N 3.08Å; E169-V172 HydrophobicContact CB-CG1 4.2Å; G170-V172 PolarHBondContact O-N 2.87Å; V172-D174 VanDerWaalsContact C-N 3.26Å; V172-D174 PolarHBondContact O-N 3.22Å; V172-L175 HydrophobicContact CB-CD1 3.88Å; V172-L175 HydrophobicContact CB-CG 4.26Å; V172-L175 HydrophobicContact CG1-CD1 4.28Å; V172-L175 VanDerWaalsContact O-CB 3.28Å; V172-L175 WeakPolarHBondContact O-CB 3.17Å; V172-L175 WeakPolarHBondContact O-CG 3.46Å; V172-L175 PolarHBondContact O-N 3.39Å; V172-L175 VanDerWaalsContact O-N 3.08Å; V172-F176 HydrophobicContact CG2-CE2 4.3Å
173L98.3Very high97Very high47 Ų4748.8 Ų48.825%0.24627%0.273CS..G310 helixtrans-60.2-34.7-177.7-72.2171.8000113.3K161 F164 D171 L175 F176K161-L173 HydrophobicContact CB-CD2 4.15Å; K161-L173 HydrophobicContact CG-CD2 4.13Å; F164-L173 HydrophobicContact CB-CD2 3.79Å; F164-L173 HydrophobicContact CB-CG 4.46Å; D171-L173 WeakPolarHBondContact OD1-CB 3.42Å; D171-L173 WeakPolarHBondContact OD1-CG 3.34Å; D171-L173 PolarHBondContact OD1-N 3.39Å; L173-L175 PolarHBondContact O-N 3.21Å; L173-F176 PolarHBondContact O-N 3.09Å
174D97.9Very high96.7Very high152 Ų15250.1 Ų50.181%0.81328%0.28SS*.G310 helixtrans-64.4-10.5178.5-71-20.5000113.7V172 F176V172-D174 VanDerWaalsContact C-N 3.26Å; V172-D174 PolarHBondContact O-N 3.22Å; D174-F176 VanDerWaalsContact C-N 3.31Å
175L98.1Very high96.4Very high22 Ų2250.7 Ų50.712%0.11529%0.286CS..G310 helixtrans-77.8-16.9173.4-60.1-174.1000113V136 V139 K140 R143 V172 L173V136-L175 HydrophobicContact CB-CD1 4.37Å; V136-L175 HydrophobicContact CG1-CD1 3.92Å; V136-L175 HydrophobicContact CG2-CD1 4.17Å; V139-L175 HydrophobicContact CG1-CB 3.75Å; V139-L175 HydrophobicContact CG1-CD1 4.42Å; K140-L175 HydrophobicContact CG-CD1 4.5Å; K140-L175 HydrophobicContact CG-CD2 3.79Å; R143-L175 VanDerWaalsContact CD-O 3.31Å; R143-L175 WeakPolarHBondContact CD-O 3.42Å; R143-L175 PolarHBondContact NH1-O 2.99Å; V172-L175 HydrophobicContact CB-CD1 3.88Å; V172-L175 HydrophobicContact CB-CG 4.26Å; V172-L175 HydrophobicContact CG1-CD1 4.28Å; V172-L175 VanDerWaalsContact O-CB 3.28Å; V172-L175 WeakPolarHBondContact O-CB 3.17Å; V172-L175 WeakPolarHBondContact O-CG 3.46Å; V172-L175 PolarHBondContact O-N 3.39Å; V172-L175 VanDerWaalsContact O-N 3.08Å; L173-L175 PolarHBondContact O-N 3.21Å
176F98.4Very high95.8Very high19 Ų1952.4 Ų52.48%0.08330%0.299CS..  trans-112130.6-176-51.5-70000110.9L15 V139 V149 I151 F164 V172 L173 D174 G178L15-F176 HydrophobicContact CD1-CE1 4.23Å; V139-F176 HydrophobicContact CG1-CE1 4.5Å; V139-F176 HydrophobicContact CG2-CE1 4.37Å; V149-F176 HydrophobicContact CG1-CD1 3.98Å; V149-F176 HydrophobicContact CG1-CE1 4.28Å; V149-F176 CarbonylContact O-C 3.58Å; V149-F176 WeakPolarHBondContact O-CA 3.44Å; I151-F176 HydrophobicContact CD1-CD1 3.62Å; I151-F176 HydrophobicContact CD1-CE1 3.49Å; I151-F176 VanDerWaalsContact CD1-CE1 3.49Å; I151-F176 HydrophobicContact CD1-CG 4.29Å; I151-F176 HydrophobicContact CD1-CZ 4.04Å; I151-F176 HydrophobicContact CG1-CD1 3.82Å; I151-F176 HydrophobicContact CG1-CD2 4.5Å; I151-F176 HydrophobicContact CG1-CE1 4.13Å; I151-F176 HydrophobicContact CG1-CG 4.02Å; F164-F176 HydrophobicContact CB-CD2 4.47Å; F164-F176 HydrophobicContact CB-CE2 3.98Å; F164-F176 AromaticContact CD1-CE2 3.45Å; F164-F176 HydrophobicContact CD1-CE2 3.45Å; F164-F176 VanDerWaalsContact CD1-CE2 3.45Å; F164-F176 AromaticContact CD1-CZ 3.73Å; F164-F176 HydrophobicContact CD1-CZ 3.73Å; F164-F176 HydrophobicContact CD2-CD2 4.45Å; F164-F176 HydrophobicContact CD2-CE2 4.02Å; F164-F176 AromaticContact CE1-CE2 3.87Å; F164-F176 HydrophobicContact CE1-CE2 3.87Å; F164-F176 AromaticContact CE1-CZ 3.65Å; F164-F176 HydrophobicContact CE1-CZ 3.65Å; F164-F176 HydrophobicContact CE2-CE2 4.4Å; F164-F176 HydrophobicContact CG-CD2 4.25Å; F164-F176 AromaticContact CG-CE2 3.54Å; F164-F176 HydrophobicContact CG-CE2 3.54Å; F164-F176 HydrophobicContact CG-CZ 4.2Å; F164-F176 HydrophobicContact CZ-CE2 4.33Å; F164-F176 HydrophobicContact CZ-CZ 4.07Å; V172-F176 HydrophobicContact CG2-CE2 4.3Å; L173-F176 PolarHBondContact O-N 3.09Å; D174-F176 VanDerWaalsContact C-N 3.31Å; F176-G178 VanDerWaalsContact C-N 3.29Å
177D98.6Very high95.3Very high49 Ų4950 Ų5026%0.26229%0.29SS..SBendtrans-79.5-12.6176.9-60.2-84.9000112.4R143 K148 V149 Y150R143-D177 IonicContact CZ-OD1 3.83Å; R143-D177 IonicContact CZ-OD2 3.64Å; R143-D177 VanDerWaalsContact NH1-CG 3.33Å; R143-D177 IonicContact NH1-OD1 3.95Å; R143-D177 IonicContact NH1-OD2 3.99Å; R143-D177 PolarHBondContact NH1-OD2 3.08Å; R143-D177 IonicContact NH2-OD1 3.14Å; R143-D177 PolarHBondContact NH2-OD1 3.21Å; R143-D177 VanDerWaalsContact NH2-OD1 3.13Å; R143-D177 IonicContact NH2-OD2 3.18Å; K148-D177 VanDerWaalsContact CA-OD2 3.29Å; K148-D177 WeakPolarHBondContact CA-OD2 3.25Å; K148-D177 HydrophobicContact CD-CB 4.17Å; K148-D177 VanDerWaalsContact CD-OD1 3.25Å; K148-D177 WeakPolarHBondContact CD-OD1 3.11Å; K148-D177 WeakPolarHBondContact CD-OD2 3.49Å; K148-D177 IonicContact NZ-OD1 2.74Å; K148-D177 PolarHBondContact NZ-OD1 3.36Å; V149-D177 PolarHBondContact N-OD2 2.86Å; V149-D177 PolarHBondContact O-N 2.86Å; Y150-D177 HydrophobicContact CD1-CB 4.27Å; Y150-D177 HydrophobicContact CE1-CB 3.68Å; Y150-D177 HydrophobicContact CE2-CB 4.33Å
178G98.3Very high94.7Very high19 Ų1955 Ų5520%0.19632%0.32CS..EExtended strand (participates in β ladder)trans175.1173.5175.100000114.5Y150 I151 F176Y150-G178 WeakPolarHBondContact CA-O 3.48Å; I151-G178 PolarHBondContact N-O 3.48Å; F176-G178 VanDerWaalsContact C-N 3.29Å
179H98.6Very high94.3Very high31 Ų3154.3 Ų54.314%0.14431%0.314CS..EExtended strand (participates in β ladder)trans-132.7139.9-175.8-67.6-96000110.2I151 V157 Q160I151-H179 CarbonylContact O-C 3.59Å; V157-H179 HydrophobicContact CB-CB 4.33Å; V157-H179 HydrophobicContact CG1-CB 3.74Å; V157-H179 HydrophobicContact CG2-CB 3.94Å; Q160-H179 PolarHBondContact OE1-ND1 3.23Å; Q160-H179 VanDerWaalsContact OE1-ND1 3.08Å
180F97.9Very high94.1Very high19 Ų1952.6 Ų52.68%0.08332%0.315CS..EExtended strand (participates in β ladder)trans-126.8141.2175.6-62.9-79.4000109.5L14 Y150 I151 Y152 S153 Q160 I184 I196 R199 I200L14-F180 HydrophobicContact CD1-CD2 4.1Å; Y150-F180 AromaticContact CD1-CE2 3.76Å; Y150-F180 HydrophobicContact CD1-CE2 3.76Å; Y150-F180 HydrophobicContact CG-CE2 4.07Å; I151-F180 PolarHBondContact O-N 2.9Å; Y152-F180 WeakPolarHBondContact CA-O 3.48Å; Y152-F180 HydrophobicContact CD2-CB 3.64Å; Y152-F180 HydrophobicContact CE2-CB 4.38Å; Y152-F180 HydrophobicContact CG-CB 4.22Å; S153-F180 PolarHBondContact N-O 3.2Å; Q160-F180 PolarHBondContact NE2-O 3.37Å; F180-I184 HydrophobicContact CB-CG2 4.34Å; F180-I184 HydrophobicContact CD1-CB 4.46Å; F180-I184 HydrophobicContact CD1-CG1 4.26Å; F180-I196 HydrophobicContact CB-CD1 4.28Å; F180-I196 HydrophobicContact CB-CG1 4.44Å; F180-I196 HydrophobicContact CD1-CG1 3.91Å; F180-I196 HydrophobicContact CD2-CG1 4.33Å; F180-I196 HydrophobicContact CD2-CG2 4.11Å; F180-I196 HydrophobicContact CE1-CG1 4.19Å; F180-I196 HydrophobicContact CE1-CG2 4.45Å; F180-I196 HydrophobicContact CE2-CG2 3.81Å; F180-I196 HydrophobicContact CG-CD1 4.25Å; F180-I196 HydrophobicContact CG-CG1 3.97Å; F180-I196 HydrophobicContact CZ-CG2 3.99Å; F180-R199 HydrophobicContact CE1-CB 3.98Å; F180-R199 HydrophobicContact CE1-CG 3.74Å; F180-R199 HydrophobicContact CZ-CB 4.22Å; F180-R199 HydrophobicContact CZ-CG 4.06Å; F180-I200 HydrophobicContact CE2-CD1 4.17Å; F180-I200 HydrophobicContact CE2-CG1 4.17Å; F180-I200 HydrophobicContact CZ-CD1 4.42Å; F180-I200 HydrophobicContact CZ-CG1 4.01Å
181D93.5Very high94Very high17 Ų1756.9 Ų56.99%0.09132%0.323CS..  trans-130.3-171.2170.773.228.3000111.6S153 G155 S156 V157 T183 I184S153-D181 VanDerWaalsContact O-CA 3.26Å; S153-D181 WeakPolarHBondContact O-CA 3.34Å; G155-D181 WeakPolarHBondContact O-CB 3.34Å; S156-D181 VanDerWaalsContact CA-OD2 3.31Å; S156-D181 WeakPolarHBondContact CA-OD2 3.28Å; V157-D181 HydrophobicContact CG2-CB 4.1Å; V157-D181 PolarHBondContact N-OD2 3.46Å; D181-T183 PolarHBondContact O-N 2.93Å; D181-T183 WeakPolarHBondContact OD1-CB 3.33Å; D181-T183 VanDerWaalsContact OD1-CG2 3.24Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.36Å; D181-T183 PolarHBondContact OD1-N 3.14Å; D181-T183 PolarHBondContact OD1-OG1 3.46Å; D181-I184 VanDerWaalsContact O-CG2 3.26Å; D181-I184 WeakPolarHBondContact O-CG2 3.32Å; D181-I184 PolarHBondContact O-N 3.1Å
182T88.8Confident93.8Very high56 Ų5651.5 Ų51.534%0.34430%0.295SS..G310 helixtrans-57.7-12.4-179.149.40000115.5K111 I184 G185K111-T182 PolarHBondContact NZ-OG1 3.49Å; K111-T182 VanDerWaalsContact NZ-OG1 3.17Å; T182-I184 PolarHBondContact O-N 3.16Å; T182-G185 WeakPolarHBondContact CA-O 3.33Å; T182-G185 PolarHBondContact O-N 3.33Å
183T91.5Very high93.6Very high129 Ų12952.9 Ų52.979%0.79130%0.299SS*.G310 helixtrans-66.8-25.7172.566.70000112.6D181 G185D181-T183 PolarHBondContact O-N 2.93Å; D181-T183 WeakPolarHBondContact OD1-CB 3.33Å; D181-T183 VanDerWaalsContact OD1-CG2 3.24Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.36Å; D181-T183 PolarHBondContact OD1-N 3.14Å; D181-T183 PolarHBondContact OD1-OG1 3.46Å; T183-G185 VanDerWaalsContact C-N 3.26Å
184I93.3Very high93.5Very high35 Ų3555.3 Ų55.318%0.17931%0.309CS..G310 helixtrans-78-15.2172-153.363.9000112Y152 F180 D181 T182 R195 I196Y152-I184 HydrophobicContact CD2-CG2 4.45Å; Y152-I184 HydrophobicContact CE2-CG2 3.7Å; F180-I184 HydrophobicContact CB-CG2 4.34Å; F180-I184 HydrophobicContact CD1-CB 4.46Å; F180-I184 HydrophobicContact CD1-CG1 4.26Å; D181-I184 VanDerWaalsContact O-CG2 3.26Å; D181-I184 WeakPolarHBondContact O-CG2 3.32Å; D181-I184 PolarHBondContact O-N 3.1Å; T182-I184 PolarHBondContact O-N 3.16Å; I184-R195 HydrophobicContact CD1-CB 4.01Å; I184-R195 HydrophobicContact CG1-CB 3.97Å; I184-R195 PolarHBondContact O-NE 3.41Å; I184-R195 PolarHBondContact O-NH2 2.9Å; I184-I196 HydrophobicContact CG1-CG1 3.91Å; I184-I196 HydrophobicContact CG2-CD1 3.95Å; I184-I196 HydrophobicContact CG2-CG1 3.91Å
185G91.6Very high93.5Very high12 Ų1252.8 Ų52.812%0.12429%0.288CS..  trans130.4170.8-174.900000112.9Y152 T182 T183 S192Y152-G185 PolarHBondContact OH-O 3.41Å; T182-G185 WeakPolarHBondContact CA-O 3.33Å; T182-G185 PolarHBondContact O-N 3.33Å; T183-G185 VanDerWaalsContact C-N 3.26Å; G185-S192 VanDerWaalsContact CA-OG 3.23Å; G185-S192 WeakPolarHBondContact CA-OG 3.35Å
186A86.9Confident93.5Very high47 Ų4751.7 Ų51.739%0.38828%0.283SS..  trans-79.4146.2179.500000112Y152 V188 D189 S192Y152-A186 PolarHBondContact OH-O 3.02Å; A186-V188 HydrophobicContact CB-CG2 4.3Å; A186-V188 PolarHBondContact O-N 2.89Å; A186-V188 VanDerWaalsContact O-N 3.1Å; A186-D189 HydrophobicContact CB-CB 4.48Å; A186-D189 WeakPolarHBondContact O-CB 3.36Å; A186-D189 PolarHBondContact O-N 3.44Å; A186-S192 PolarHBondContact N-OG 3.1Å; A186-S192 VanDerWaalsContact N-OG 3.14Å; A186-S192 WeakPolarHBondContact O-CB 3.44Å; A186-S192 PolarHBondContact O-OG 3.26Å
187K86.9Confident93.4Very high43 Ų4350.9 Ų50.919%0.18728%0.279CS..THydrogen-bonded Turntrans-62.8-18.8-178.7-65178.366.2-172.40114.5D16 Y152 Y193D16-K187 IonicContact OD1-NZ 3.72Å; D16-K187 PolarHBondContact OD1-NZ 3.21Å; D16-K187 IonicContact OD2-NZ 3.78Å; D16-K187 PolarHBondContact OD2-NZ 3.4Å; Y152-K187 HydrophobicContact CD1-CG 4.15Å; Y152-K187 HydrophobicContact CE1-CB 4.24Å; Y152-K187 HydrophobicContact CE1-CG 3.64Å; Y152-K187 HydrophobicContact CE2-CG 4.21Å; Y152-K187 PolarHBondContact OH-N 2.93Å; K187-Y193 VanDerWaalsContact O-CE2 3.29Å; K187-Y193 WeakPolarHBondContact O-CE2 3.36Å; K187-Y193 PolarHBondContact O-OH 3.13Å
188V85.4Confident93.4Very high109 Ų10955.7 Ų55.766%0.66130%0.3SS*.THydrogen-bonded Turntrans-92.4-4.7177.8-61.80000113.1A186A186-V188 HydrophobicContact CB-CG2 4.3Å; A186-V188 PolarHBondContact O-N 2.89Å; A186-V188 VanDerWaalsContact O-N 3.1Å
189D88.7Confident93.3Very high62 Ų6264.2 Ų64.233%0.33233%0.326SS..  trans-99.7120179.3179.36.5000109.6A186 K191 S192 R195A186-D189 HydrophobicContact CB-CB 4.48Å; A186-D189 WeakPolarHBondContact O-CB 3.36Å; A186-D189 PolarHBondContact O-N 3.44Å; D189-K191 PolarHBondContact O-N 3.43Å; D189-K191 WeakPolarHBondContact OD1-CB 2.96Å; D189-K191 PolarHBondContact OD1-N 3.33Å; D189-K191 VanDerWaalsContact OD1-N 3.09Å; D189-S192 VanDerWaalsContact O-CB 3.23Å; D189-S192 WeakPolarHBondContact O-CB 3.39Å; D189-S192 PolarHBondContact O-N 3.39Å; D189-S192 PolarHBondContact O-OG 3.04Å; D189-R195 IonicContact OD2-NH2 2.8Å
190S90.1Very high93.3Very high77 Ų7764.4 Ų64.454%0.53833%0.328SS..Hα-helixtrans-58.6-32.8-179.3630000112.3S192 Y193 E194S190-S192 PolarHBondContact O-N 3.3Å; S190-Y193 PolarHBondContact O-N 3.31Å; S190-E194 PolarHBondContact O-N 2.85Å
191K94.4Very high93.2Very high125 Ų12566.7 Ų66.754%0.54336%0.357SS..Hα-helixtrans-64.9-20.4178.5-65.8-176.5176.6-178.30113.3D189 Y193 R195D189-K191 PolarHBondContact O-N 3.43Å; D189-K191 WeakPolarHBondContact OD1-CB 2.96Å; D189-K191 PolarHBondContact OD1-N 3.33Å; D189-K191 VanDerWaalsContact OD1-N 3.09Å; K191-Y193 VanDerWaalsContact C-N 3.33Å; K191-R195 WeakPolarHBondContact O-CG 3.48Å; K191-R195 PolarHBondContact O-N 3.17Å; K191-R195 PolarHBondContact O-NE 2.93Å
192S94.2Very high93.3Very high0 Ų066.9 Ų66.90%036%0.359CS..Hα-helixtrans-64.3-42.1172.5-54.50000110.7Y152 G185 A186 D189 S190 R195 I196Y152-S192 WeakPolarHBondContact OH-CB 3.39Å; G185-S192 VanDerWaalsContact CA-OG 3.23Å; G185-S192 WeakPolarHBondContact CA-OG 3.35Å; A186-S192 PolarHBondContact N-OG 3.1Å; A186-S192 VanDerWaalsContact N-OG 3.14Å; A186-S192 WeakPolarHBondContact O-CB 3.44Å; A186-S192 PolarHBondContact O-OG 3.26Å; D189-S192 VanDerWaalsContact O-CB 3.23Å; D189-S192 WeakPolarHBondContact O-CB 3.39Å; D189-S192 PolarHBondContact O-N 3.39Å; D189-S192 PolarHBondContact O-OG 3.04Å; S190-S192 PolarHBondContact O-N 3.3Å; S192-R195 PolarHBondContact O-N 2.84Å; S192-I196 VanDerWaalsContact O-CG1 3.26Å; S192-I196 WeakPolarHBondContact O-CG1 3.37Å; S192-I196 PolarHBondContact O-N 2.66Å
193Y94.7Very high93.6Very high41 Ų4170 Ų7016%0.16137%0.37CS..Hα-helixtrans-72.6-36-179-58.5-86.6000112.2L14 Y152 K187 S190 K191 I196 A197 F209L14-Y193 HydrophobicContact CD2-CD1 4.16Å; L14-Y193 HydrophobicContact CD2-CE1 4.23Å; Y152-Y193 HydrophobicContact CD1-CE1 4.13Å; Y152-Y193 HydrophobicContact CE1-CE1 4.01Å; K187-Y193 VanDerWaalsContact O-CE2 3.29Å; K187-Y193 WeakPolarHBondContact O-CE2 3.36Å; K187-Y193 PolarHBondContact O-OH 3.13Å; S190-Y193 PolarHBondContact O-N 3.31Å; K191-Y193 VanDerWaalsContact C-N 3.33Å; Y193-I196 PolarHBondContact O-N 3.06Å; Y193-A197 WeakPolarHBondContact O-CB 3.48Å; Y193-A197 PolarHBondContact O-N 3.44Å; Y193-F209 AromaticContact CE1-CD1 3.8Å; Y193-F209 HydrophobicContact CE1-CD1 3.8Å; Y193-F209 HydrophobicContact CE1-CE1 4.05Å; Y193-F209 HydrophobicContact CE1-CG 4.16Å; Y193-F209 WeakPolarHBondContact OH-CE1 3.43Å
194E95.7Very high93.7Very high98 Ų9866.4 Ų66.446%0.45835%0.349SS..Hα-helixtrans-57.8-48.6170.6-67.2170.5-16900111S190 I196 A197 E198S190-E194 PolarHBondContact O-N 2.85Å; E194-I196 VanDerWaalsContact C-N 3.35Å; E194-I196 PolarHBondContact O-N 3.36Å; E194-A197 WeakPolarHBondContact O-CB 3.39Å; E194-A197 PolarHBondContact O-N 3.4Å; E194-E198 WeakPolarHBondContact O-CG 3.49Å; E194-E198 PolarHBondContact O-N 3.33Å
195R97.8Very high93.7Very high98 Ų9870.3 Ų70.337%0.3737%0.367SS..Hα-helixtrans-65.1-35.8177.1-73.8178.2-72.5-162.10.2113.2I184 D189 K191 S192 R199I184-R195 HydrophobicContact CD1-CB 4.01Å; I184-R195 HydrophobicContact CG1-CB 3.97Å; I184-R195 PolarHBondContact O-NE 3.41Å; I184-R195 PolarHBondContact O-NH2 2.9Å; D189-R195 IonicContact OD2-NH2 2.8Å; K191-R195 WeakPolarHBondContact O-CG 3.48Å; K191-R195 PolarHBondContact O-N 3.17Å; K191-R195 PolarHBondContact O-NE 2.93Å; S192-R195 PolarHBondContact O-N 2.84Å; R195-R199 WeakPolarHBondContact O-CB 3.47Å; R195-R199 PolarHBondContact O-N 3Å
196I97.3Very high93.9Very high0 Ų072.7 Ų72.70%038%0.375CS..Hα-helixtrans-63.3-46.9173.5-72.2169000109.6L14 Y152 F180 I184 S192 Y193 E194 E198 R199 I200 I207L14-I196 HydrophobicContact CD1-CG2 4.31Å; L14-I196 HydrophobicContact CD2-CD1 4.02Å; L14-I196 HydrophobicContact CD2-CG2 4.28Å; Y152-I196 HydrophobicContact CD1-CD1 3.66Å; Y152-I196 HydrophobicContact CD2-CD1 4.11Å; Y152-I196 HydrophobicContact CE1-CD1 3.73Å; Y152-I196 HydrophobicContact CE2-CD1 4.2Å; Y152-I196 HydrophobicContact CG-CD1 3.86Å; F180-I196 HydrophobicContact CB-CD1 4.28Å; F180-I196 HydrophobicContact CB-CG1 4.44Å; F180-I196 HydrophobicContact CD1-CG1 3.91Å; F180-I196 HydrophobicContact CD2-CG1 4.33Å; F180-I196 HydrophobicContact CD2-CG2 4.11Å; F180-I196 HydrophobicContact CE1-CG1 4.19Å; F180-I196 HydrophobicContact CE1-CG2 4.45Å; F180-I196 HydrophobicContact CE2-CG2 3.81Å; F180-I196 HydrophobicContact CG-CD1 4.25Å; F180-I196 HydrophobicContact CG-CG1 3.97Å; F180-I196 HydrophobicContact CZ-CG2 3.99Å; I184-I196 HydrophobicContact CG1-CG1 3.91Å; I184-I196 HydrophobicContact CG2-CD1 3.95Å; I184-I196 HydrophobicContact CG2-CG1 3.91Å; S192-I196 VanDerWaalsContact O-CG1 3.26Å; S192-I196 WeakPolarHBondContact O-CG1 3.37Å; S192-I196 PolarHBondContact O-N 2.66Å; Y193-I196 PolarHBondContact O-N 3.06Å; E194-I196 VanDerWaalsContact C-N 3.35Å; E194-I196 PolarHBondContact O-N 3.36Å; I196-E198 PolarHBondContact O-N 3.12Å; I196-R199 PolarHBondContact O-N 3.21Å; I196-R199 VanDerWaalsContact O-N 3.12Å; I196-I200 HydrophobicContact CG2-CD1 3.57Å; I196-I200 HydrophobicContact CG2-CG1 4.3Å; I196-I200 VanDerWaalsContact O-CG1 3.3Å; I196-I200 WeakPolarHBondContact O-CG1 3.4Å; I196-I200 PolarHBondContact O-N 2.79Å; I196-I207 HydrophobicContact CG2-CD1 4.31Å
197A97.3Very high94.4Very high1 Ų171.4 Ų71.41%0.00836%0.361CS..Hα-helixtrans-60.4-45.2178.100000112.3Y193 E194 R199 I200 G201 C202 P204 I207Y193-A197 WeakPolarHBondContact O-CB 3.48Å; Y193-A197 PolarHBondContact O-N 3.44Å; E194-A197 WeakPolarHBondContact O-CB 3.39Å; E194-A197 PolarHBondContact O-N 3.4Å; A197-R199 VanDerWaalsContact C-N 3.31Å; A197-R199 PolarHBondContact O-N 3.3Å; A197-I200 PolarHBondContact O-N 3.09Å; A197-G201 PolarHBondContact O-N 3.08Å; A197-C202 CarbonylContact C-O 3.57Å; A197-C202 PolarHBondContact O-N 2.92Å; A197-C202 VanDerWaalsContact O-N 3.1Å; A197-P204 HydrophobicContact CB-CB 4.45Å; A197-P204 HydrophobicContact CB-CG 3.98Å; A197-I207 HydrophobicContact CB-CD1 3.71Å
198E97.8Very high94.8Very high151 Ų15169.5 Ų69.571%0.70635%0.353SS*.Hα-helixtrans-57.2-42.9172.4-73.4177.9173.900112.1E194 I196 G201E194-E198 WeakPolarHBondContact O-CG 3.49Å; E194-E198 PolarHBondContact O-N 3.33Å; I196-E198 PolarHBondContact O-N 3.12Å; E198-G201 PolarHBondContact O-N 3.29Å
199R97.7Very high95.2Very high198 Ų19865 Ų6575%0.74733%0.325SS*.Hα-helixtrans-70.3-33.9-179.4-172.658.1169.3-165.10.2112.8F180 R195 I196 A197 G201F180-R199 HydrophobicContact CE1-CB 3.98Å; F180-R199 HydrophobicContact CE1-CG 3.74Å; F180-R199 HydrophobicContact CZ-CB 4.22Å; F180-R199 HydrophobicContact CZ-CG 4.06Å; R195-R199 WeakPolarHBondContact O-CB 3.47Å; R195-R199 PolarHBondContact O-N 3Å; I196-R199 PolarHBondContact O-N 3.21Å; I196-R199 VanDerWaalsContact O-N 3.12Å; A197-R199 VanDerWaalsContact C-N 3.31Å; A197-R199 PolarHBondContact O-N 3.3Å; R199-G201 VanDerWaalsContact C-N 3.35Å
200I97.1Very high95.5Very high34 Ų3462.3 Ų62.317%0.17431%0.31CS..Hα-helixtrans-74.3-30174.1-67.1171000110.6A12 Y150 F180 I196 A197 C202 I207A12-I200 HydrophobicContact CB-CG2 4.35Å; Y150-I200 HydrophobicContact CD1-CD1 4.46Å; Y150-I200 HydrophobicContact CD1-CG1 4.38Å; Y150-I200 HydrophobicContact CD2-CD1 3.59Å; Y150-I200 HydrophobicContact CD2-CG1 4.1Å; Y150-I200 HydrophobicContact CE1-CG1 4.08Å; Y150-I200 HydrophobicContact CE2-CB 4.4Å; Y150-I200 HydrophobicContact CE2-CD1 3.66Å; Y150-I200 HydrophobicContact CE2-CG1 3.74Å; Y150-I200 HydrophobicContact CE2-CG2 3.77Å; Y150-I200 HydrophobicContact CG-CD1 4.02Å; Y150-I200 HydrophobicContact CG-CG1 4.41Å; F180-I200 HydrophobicContact CE2-CD1 4.17Å; F180-I200 HydrophobicContact CE2-CG1 4.17Å; F180-I200 HydrophobicContact CZ-CD1 4.42Å; F180-I200 HydrophobicContact CZ-CG1 4.01Å; I196-I200 HydrophobicContact CG2-CD1 3.57Å; I196-I200 HydrophobicContact CG2-CG1 4.3Å; I196-I200 VanDerWaalsContact O-CG1 3.3Å; I196-I200 WeakPolarHBondContact O-CG1 3.4Å; I196-I200 PolarHBondContact O-N 2.79Å; A197-I200 PolarHBondContact O-N 3.09Å; I200-C202 HydrophobicContact CG2-CB 4.32Å; I200-C202 VanDerWaalsContact CG2-SG 3.52Å; I200-I207 HydrophobicContact CD1-CD1 3.92Å
201G97.3Very high95.5Very high68 Ų6859.1 Ų59.170%0.70129%0.287SS*.THydrogen-bonded Turntrans84.236.3-17600000113.2A197 E198 R199A197-G201 PolarHBondContact O-N 3.08Å; E198-G201 PolarHBondContact O-N 3.29Å; R199-G201 VanDerWaalsContact C-N 3.35Å
202C95.9Very high95.2Very high20 Ų2056 Ų5614%0.13528%0.277CS..SBendtrans-134171.517865.30000111A197 I200 E206A197-C202 CarbonylContact C-O 3.57Å; A197-C202 PolarHBondContact O-N 2.92Å; A197-C202 VanDerWaalsContact O-N 3.1Å; I200-C202 HydrophobicContact CG2-CB 4.32Å; I200-C202 VanDerWaalsContact CG2-SG 3.52Å; C202-E206 HydrophobicContact CB-CB 4.36Å; C202-E206 WeakPolarHBondContact CB-OE2 3.33Å
203Q94.8Very high94.6Very high122 Ų12259.3 Ų59.357%0.5730%0.296SS*.  trans-79.1148.8171.5-60.2-64.2-25.100110.8E205 E206Q203-E205 WeakPolarHBondContact CB-OE2 3.47Å; Q203-E205 PolarHBondContact O-N 3.38Å; Q203-E206 HydrophobicContact CB-CG 4.13Å; Q203-E206 PolarHBondContact N-OE2 3.31Å; Q203-E206 WeakPolarHBondContact O-CB 3.35Å; Q203-E206 PolarHBondContact O-N 2.93Å
204P93.9Very high93.3Very high53 Ų5362.1 Ų62.134%0.34432%0.322SS..G310 helixtrans-53.3-36.3177.4-27.436000114A197 E206 I207A197-P204 HydrophobicContact CB-CB 4.45Å; A197-P204 HydrophobicContact CB-CG 3.98Å; P204-E206 PolarHBondContact O-N 3.04Å; P204-I207 PolarHBondContact O-N 2.9Å; P204-I207 VanDerWaalsContact O-N 3.1Å
205E93.3Very high91Very high118 Ų11867.9 Ų67.955%0.55134%0.34SS*.G310 helixtrans-71.5-11.7-179.9-54.278.1-170.500113.4C9 Q203 I207C9-E205 PolarHBondContact SG-O 3.06Å; C9-E205 VanDerWaalsContact SG-O 3.4Å; Q203-E205 WeakPolarHBondContact CB-OE2 3.47Å; Q203-E205 PolarHBondContact O-N 3.38Å; E205-I207 VanDerWaalsContact C-N 3.32Å
206E95.4Very high88.3Confident62 Ų6264.8 Ų64.829%0.2934%0.338SS..G310 helixtrans-89-2.4173.8-58.6179.5107.800112.1T10 T11 A12 C202 Q203 P204T10-E206 CarbonylContact C-O 3.45Å; T10-E206 WeakPolarHBondContact CA-O 3.31Å; T11-E206 HydrophobicContact CG2-CB 4.3Å; T11-E206 PolarHBondContact N-O 3.35Å; T11-E206 WeakPolarHBondContact OG1-CB 3.37Å; A12-E206 PolarHBondContact N-O 3.47Å; A12-E206 VanDerWaalsContact N-O 3.16Å; C202-E206 HydrophobicContact CB-CB 4.36Å; C202-E206 WeakPolarHBondContact CB-OE2 3.33Å; Q203-E206 HydrophobicContact CB-CG 4.13Å; Q203-E206 PolarHBondContact N-OE2 3.31Å; Q203-E206 WeakPolarHBondContact O-CB 3.35Å; Q203-E206 PolarHBondContact O-N 2.93Å; P204-E206 PolarHBondContact O-N 3.04Å
207I96.1Very high85.6Confident19 Ų1967.1 Ų67.110%0.09735%0.352CS..EExtended strand (participates in β ladder)trans-103.7122.9177.6-56.4-179.4000110.1A12 L14 I196 A197 I200 P204 E205A12-I207 HydrophobicContact CB-CG1 4.31Å; A12-I207 WeakPolarHBondContact O-CA 3.39Å; L14-I207 HydrophobicContact CB-CG2 3.83Å; I196-I207 HydrophobicContact CG2-CD1 4.31Å; A197-I207 HydrophobicContact CB-CD1 3.71Å; I200-I207 HydrophobicContact CD1-CD1 3.92Å; P204-I207 PolarHBondContact O-N 2.9Å; P204-I207 VanDerWaalsContact O-N 3.1Å; E205-I207 VanDerWaalsContact C-N 3.32Å
208T95.3Very high82.7Confident3 Ų376.2 Ų76.22%0.01840%0.395CS..EExtended strand (participates in β ladder)trans-100.3121165.4-67.90000109.7P7 T10 A12 L13 L14 L210P7-T208 WeakPolarHBondContact CD-OG1 3.43Å; T10-T208 PolarHBondContact OG1-OG1 3.36Å; A12-T208 PolarHBondContact O-N 3.11Å; L13-T208 WeakPolarHBondContact CA-O 3.33Å; L13-T208 HydrophobicContact CD2-CG2 4.23Å; L14-T208 PolarHBondContact N-O 3.42Å; T208-L210 HydrophobicContact CG2-CD2 4.02Å
209F94.3Very high79.6Confident16 Ų1673.9 Ų73.97%0.0739%0.391CS..EExtended strand (participates in β ladder)trans-96.9122.4177.3-177.7-133.8000111.3L14 D16 Y193 T211L14-F209 HydrophobicContact CB-CB 4.37Å; L14-F209 HydrophobicContact CB-CD2 3.75Å; L14-F209 HydrophobicContact CB-CG 4.49Å; L14-F209 HydrophobicContact CD2-CD2 3.75Å; L14-F209 HydrophobicContact CD2-CE2 4.23Å; L14-F209 HydrophobicContact CD2-CG 4.31Å; L14-F209 HydrophobicContact CG-CD2 3.68Å; L14-F209 HydrophobicContact CG-CE2 4.12Å; L14-F209 CarbonylContact O-C 3.52Å; L14-F209 WeakPolarHBondContact O-CA 3.34Å; L14-F209 VanDerWaalsContact O-CD2 3.25Å; L14-F209 WeakPolarHBondContact O-CD2 3.29Å; D16-F209 HydrophobicContact CB-CE2 4.17Å; D16-F209 HydrophobicContact CB-CZ 4.16Å; Y193-F209 AromaticContact CE1-CD1 3.8Å; Y193-F209 HydrophobicContact CE1-CD1 3.8Å; Y193-F209 HydrophobicContact CE1-CE1 4.05Å; Y193-F209 HydrophobicContact CE1-CG 4.16Å; Y193-F209 WeakPolarHBondContact OH-CE1 3.43Å; F209-T211 HydrophobicContact CD1-CG2 3.84Å; F209-T211 HydrophobicContact CE1-CG2 3.51Å; F209-T211 HydrophobicContact CZ-CG2 4.12Å
210L94.5Very high76.4Confident4 Ų473.9 Ų73.92%0.02140%0.399CS..EExtended strand (participates in β ladder)trans-102.1118.8175.9-57.4-177.2000109.3V4 L14 L15 D16 T20 W142 T208V4-L210 HydrophobicContact CG1-CD1 4.2Å; V4-L210 HydrophobicContact CG1-CD2 3.72Å; L14-L210 PolarHBondContact O-N 3.44Å; L15-L210 HydrophobicContact CD2-CB 3.93Å; L15-L210 HydrophobicContact CD2-CD1 3.59Å; L15-L210 HydrophobicContact CD2-CG 4Å; D16-L210 WeakPolarHBondContact CB-O 3Å; D16-L210 PolarHBondContact N-O 2.84Å; T20-L210 HydrophobicContact CG2-CB 4.32Å; W142-L210 HydrophobicContact CH2-CD1 3.86Å; W142-L210 HydrophobicContact CZ2-CD1 4.44Å; W142-L210 HydrophobicContact CZ3-CD1 4.44Å; T208-L210 HydrophobicContact CG2-CD2 4.02Å
211T91.5Very high73.3Confident10 Ų1075.7 Ų75.76%0.06141%0.41CS..  trans-149.7150.8-179.7-1780000110.7D16 T20 F209 V213 L222D16-T211 PolarHBondContact OD2-OG1 2.85Å; T20-T211 WeakPolarHBondContact OG1-CA 3.25Å; F209-T211 HydrophobicContact CD1-CG2 3.84Å; F209-T211 HydrophobicContact CE1-CG2 3.51Å; F209-T211 HydrophobicContact CZ-CG2 4.12Å; T211-V213 VanDerWaalsContact C-N 3.33Å; T211-V213 PolarHBondContact OG1-N 3.17Å; T211-L222 HydrophobicContact CG2-CD2 4.07Å
212D88.1Confident70.3Confident61 Ų6175.8 Ų75.833%0.32639%0.393SS..SBendtrans-78.6-19.1172.570.9-50.6000112.2T20 S214T20-D212 PolarHBondContact OG1-N 3.3Å; T20-D212 VanDerWaalsContact OG1-N 3.1Å; D212-S214 PolarHBondContact O-N 3.08Å
213V81.3Confident67.2Low68 Ų6877.1 Ų77.141%0.41240%0.401SS..  trans-83.3110.8-176-176.10000111.3T211 R215T211-V213 VanDerWaalsContact C-N 3.33Å; T211-V213 PolarHBondContact OG1-N 3.17Å; V213-R215 VanDerWaalsContact C-N 3.3Å; V213-R215 WeakPolarHBondContact CG1-O 3.3Å; V213-R215 PolarHBondContact O-N 3.35Å
214S66.5Low63.9Low101 Ų10174.3 Ų74.371%0.70640%0.399SS*.  trans-72-16.4175.956.50000115D212D212-S214 PolarHBondContact O-N 3.08Å
215R48.2Very low60.8Low219 Ų21975.2 Ų75.283%0.82640%0.4SS*.SBendtrans-106.3100.4-177.2-75.9-175.3175.2-175.7-0.5111.2V213V213-R215 VanDerWaalsContact C-N 3.3Å; V213-R215 WeakPolarHBondContact CG1-O 3.3Å; V213-R215 PolarHBondContact O-N 3.35Å
216G41.1Very low57.7Low33 Ų3381 Ų8134%0.3443%0.434SS..SBendtrans162.8-8.1169.900000117.5
217V40.7Very low55.8Low48 Ų4881.9 Ų81.929%0.29144%0.441SS..  trans-122.595.4-177.9-160.30000109.6T219 L222V217-T219 PolarHBondContact O-N 2.82Å; V217-L222 HydrophobicContact CB-CD1 3.98Å; V217-L222 HydrophobicContact CB-CD2 4.39Å; V217-L222 HydrophobicContact CB-CG 4.17Å; V217-L222 HydrophobicContact CG2-CD1 4.31Å; V217-L222 HydrophobicContact CG2-CD2 4.06Å; V217-L222 HydrophobicContact CG2-CG 4.38Å
218Q37.2Very low53.7Low192 Ų19285.2 Ų85.290%0.89746%0.459SS*.  trans-78.391.4157.8-90.3-169-2300107.5
219T32.5Very low51.4Low103 Ų10389.8 Ų89.863%0.63248%0.483SS*.SBendtrans168.2109.8144.431.90000109V217 D221V217-T219 PolarHBondContact O-N 2.82Å; T219-D221 VanDerWaalsContact C-N 3.28Å; T219-D221 PolarHBondContact O-N 3.45Å
220Q29Very low48.9Very low197 Ų19794.1 Ų94.192%0.92151%0.508SS*.SBendtrans43.4-7.6149.7-71.3-179.3-20.700123.9
221D33.1Very low46.1Very low73 Ų7399.8 Ų99.839%0.3954%0.538SS..  trans-124.629.7-168-64.9-44.4000115.7T219T219-D221 VanDerWaalsContact C-N 3.28Å; T219-D221 PolarHBondContact O-N 3.45Å
222L32.8Very low43Very low69 Ų69105.7 Ų105.736%0.36157%0.57SS.*  trans-90.9114.4174.6-76.8171000112.1T211 V217T211-L222 HydrophobicContact CG2-CD2 4.07Å; V217-L222 HydrophobicContact CB-CD1 3.98Å; V217-L222 HydrophobicContact CB-CD2 4.39Å; V217-L222 HydrophobicContact CB-CG 4.17Å; V217-L222 HydrophobicContact CG2-CD1 4.31Å; V217-L222 HydrophobicContact CG2-CD2 4.06Å; V217-L222 HydrophobicContact CG2-CG 4.38Å
223V32.1Very low39.8Very low48 Ų48108.9 Ų108.929%0.29159%0.587SS.*  trans-97.493.1152.4-178.70000107.2V4 L225V4-V223 HydrophobicContact CG1-CG1 4.16Å; V223-L225 PolarHBondContact O-N 3.41Å
224A25.6Very low36.6Very low64 Ų64112.1 Ų112.153%0.52960%0.601SS.*  trans-68.8124.517000000109.2
225L27.7Very low34.1Very low72 Ų72113 Ų11338%0.37759%0.592SS.*  trans-82.5120.5164.8-81.2156.9000107.7A2 V4 V223A2-L225 HydrophobicContact CB-CD2 3.6Å; V4-L225 HydrophobicContact CG2-CD1 3.76Å; V4-L225 HydrophobicContact CG2-CD2 3.89Å; V4-L225 HydrophobicContact CG2-CG 4.05Å; V223-L225 PolarHBondContact O-N 3.41Å
226L29.5Very low32.8Very low238 Ų238103.4 Ų103.4100%1.24657%0.57SS**  trans-85.40164.5-73.9171.4000109.7

Retrieved 226 of 226 residues in 172.9 ms (Link to these results)

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