G4LUA3_SCHMA Loading...

P25 alpha-related

AlphaFold DB , UniProt , Accession G4LUA3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 173 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
1M55.2Low88.2Confident182 Ų18263.9 Ų63.990%0.89733%0.333SS*.  0-27.20-73.2-160.3-177.800113.3D3 L4 E5M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.11Å; M1-L4 PolarHBondContact O-N 3.21Å; M1-E5 PolarHBondContact O-N 3.35Å
2G75.3Confident88.8Confident51 Ų5158.6 Ų58.653%0.52631%0.306SS..Hα-helixtrans-58.6-36.5179.400000114.9E5 K6G2-E5 PolarHBondContact O-N 3.47Å; G2-K6 WeakPolarHBondContact O-CB 3.49Å; G2-K6 PolarHBondContact O-N 2.84Å
3D88.2Confident89.2Confident109 Ų10960 Ų6058%0.58331%0.314SS*.Hα-helixtrans-68.3-41-179.3-56.9-40.9000112.6M1 K6 I7 T98M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.11Å; D3-K6 PolarHBondContact O-N 3.21Å; D3-I7 WeakPolarHBondContact O-CB 3.47Å; D3-I7 WeakPolarHBondContact O-CD1 3.47Å; D3-I7 VanDerWaalsContact O-CG1 3.25Å; D3-I7 WeakPolarHBondContact O-CG1 3.38Å; D3-I7 PolarHBondContact O-N 3.3Å; D3-T98 HydrophobicContact CB-CG2 3.89Å
4L91.4Very high89.5Confident18 Ų1859.4 Ų59.49%0.09432%0.322CS..Hα-helixtrans-66-40.5178.2-175.964.2000111.5M1 F8 F63 V67 K94 I97M1-L4 PolarHBondContact O-N 3.21Å; L4-F8 WeakPolarHBondContact O-CB 3.5Å; L4-F8 PolarHBondContact O-N 3.27Å; L4-F63 HydrophobicContact CD2-CE2 4.44Å; L4-F63 HydrophobicContact CD2-CZ 4.47Å; L4-F63 HydrophobicContact CG-CE2 4.1Å; L4-F63 HydrophobicContact CG-CZ 4.41Å; L4-V67 HydrophobicContact CD2-CG2 4.41Å; L4-K94 HydrophobicContact CD2-CG 4.33Å; L4-I97 HydrophobicContact CD1-CB 3.9Å; L4-I97 HydrophobicContact CD1-CG2 3.46Å; L4-I97 VanDerWaalsContact CD1-CG2 3.46Å
5E93.3Very high89.7Confident67 Ų6759.1 Ų59.131%0.31332%0.322SS..Hα-helixtrans-65.1-44.3176.7-175.3175.4-175.500111.7M1 G2 F8 Y9 F63M1-E5 PolarHBondContact O-N 3.35Å; G2-E5 PolarHBondContact O-N 3.47Å; E5-F8 WeakPolarHBondContact O-CB 3.44Å; E5-F8 PolarHBondContact O-N 3.42Å; E5-Y9 HydrophobicContact CG-CD2 3.99Å; E5-Y9 HydrophobicContact CG-CE2 3.33Å; E5-Y9 VanDerWaalsContact O-CD2 3.3Å; E5-Y9 WeakPolarHBondContact O-CD2 3.46Å; E5-Y9 PolarHBondContact O-N 3.33Å; E5-Y9 VanDerWaalsContact OE1-CE2 3.23Å; E5-Y9 WeakPolarHBondContact OE1-CE2 3.45Å; E5-Y9 PolarHBondContact OE1-OH 3.39Å; E5-F63 HydrophobicContact CB-CD1 4.21Å; E5-F63 HydrophobicContact CB-CD2 4.17Å; E5-F63 HydrophobicContact CB-CE1 3.83Å; E5-F63 HydrophobicContact CB-CE2 3.79Å; E5-F63 HydrophobicContact CB-CG 4.37Å; E5-F63 HydrophobicContact CB-CZ 3.6Å; E5-F63 HydrophobicContact CG-CD1 3.95Å; E5-F63 HydrophobicContact CG-CD2 4.14Å; E5-F63 HydrophobicContact CG-CE1 4.08Å; E5-F63 HydrophobicContact CG-CE2 4.27Å; E5-F63 HydrophobicContact CG-CG 3.99Å; E5-F63 HydrophobicContact CG-CZ 4.24Å
6K93.2Very high89.9Confident136 Ų13663.3 Ų63.359%0.59134%0.336SS*.Hα-helixtrans-58.9-50.1175.8-175-171.1172.3-158.70111.3G2 D3 F8 Y9 D10G2-K6 WeakPolarHBondContact O-CB 3.49Å; G2-K6 PolarHBondContact O-N 2.84Å; D3-K6 PolarHBondContact O-N 3.21Å; K6-F8 VanDerWaalsContact C-N 3.3Å; K6-F8 PolarHBondContact O-N 2.92Å; K6-Y9 PolarHBondContact O-N 2.95Å; K6-Y9 VanDerWaalsContact O-N 3.15Å; K6-D10 VanDerWaalsContact O-CG 3.31Å; K6-D10 PolarHBondContact O-N 2.75Å
7I93.6Very high90.1Very high17 Ų1770.8 Ų70.89%0.08737%0.366CS..Hα-helixtrans-61.7-41.1179.4-69.3164.5000110.6D3 Y9 D10 F11 I97 T98D3-I7 WeakPolarHBondContact O-CB 3.47Å; D3-I7 WeakPolarHBondContact O-CD1 3.47Å; D3-I7 VanDerWaalsContact O-CG1 3.25Å; D3-I7 WeakPolarHBondContact O-CG1 3.38Å; D3-I7 PolarHBondContact O-N 3.3Å; I7-Y9 VanDerWaalsContact C-N 3.33Å; I7-Y9 PolarHBondContact O-N 3.43Å; I7-D10 WeakPolarHBondContact O-CB 3.4Å; I7-D10 PolarHBondContact O-N 3.03Å; I7-F11 HydrophobicContact CG2-CD2 3.67Å; I7-F11 HydrophobicContact CG2-CE2 3.58Å; I7-F11 VanDerWaalsContact O-CD2 3.23Å; I7-F11 WeakPolarHBondContact O-CD2 3.48Å; I7-F11 PolarHBondContact O-N 3.18Å; I7-I97 HydrophobicContact CG2-CG2 3.88Å; I7-T98 VanDerWaalsContact CD1-O 3.29Å; I7-T98 WeakPolarHBondContact CD1-O 3.43Å
8F94.8Very high90.2Very high1 Ų170.3 Ų70.30%0.00438%0.381CS..Hα-helixtrans-56.4-46.7174.7172.1-97.2000111.9L4 E5 K6 F11 C12 A22 F63 F66L4-F8 WeakPolarHBondContact O-CB 3.5Å; L4-F8 PolarHBondContact O-N 3.27Å; E5-F8 WeakPolarHBondContact O-CB 3.44Å; E5-F8 PolarHBondContact O-N 3.42Å; K6-F8 VanDerWaalsContact C-N 3.3Å; K6-F8 PolarHBondContact O-N 2.92Å; F8-F11 PolarHBondContact O-N 3.01Å; F8-C12 PolarHBondContact O-N 3.2Å; F8-C12 PolarHBondContact O-SG 2.96Å; F8-A22 HydrophobicContact CE2-CB 3.42Å; F8-A22 VanDerWaalsContact CE2-CB 3.42Å; F8-A22 HydrophobicContact CZ-CB 3.64Å; F8-F63 HydrophobicContact CB-CD2 3.91Å; F8-F63 HydrophobicContact CB-CE2 4.28Å; F8-F63 HydrophobicContact CD1-CB 3.98Å; F8-F63 AromaticContact CD1-CD2 3.87Å; F8-F63 HydrophobicContact CD1-CD2 3.87Å; F8-F63 HydrophobicContact CD1-CG 4.39Å; F8-F63 HydrophobicContact CE1-CB 3.95Å; F8-F63 AromaticContact CG-CD2 3.85Å; F8-F63 HydrophobicContact CG-CD2 3.85Å; F8-F66 HydrophobicContact CD2-CB 4.09Å; F8-F66 AromaticContact CD2-CD1 3.45Å; F8-F66 HydrophobicContact CD2-CD1 3.45Å; F8-F66 VanDerWaalsContact CD2-CD1 3.45Å; F8-F66 HydrophobicContact CD2-CD2 4.16Å; F8-F66 AromaticContact CD2-CE1 3.83Å; F8-F66 HydrophobicContact CD2-CE1 3.83Å; F8-F66 HydrophobicContact CD2-CE2 4.48Å; F8-F66 AromaticContact CD2-CG 3.62Å; F8-F66 HydrophobicContact CD2-CG 3.62Å; F8-F66 HydrophobicContact CD2-CZ 4.32Å; F8-F66 HydrophobicContact CE2-CB 3.57Å; F8-F66 AromaticContact CE2-CD1 3.85Å; F8-F66 HydrophobicContact CE2-CD1 3.85Å; F8-F66 AromaticContact CE2-CD2 3.96Å; F8-F66 HydrophobicContact CE2-CD2 3.96Å; F8-F66 AromaticContact CE2-CG 3.5Å; F8-F66 HydrophobicContact CE2-CG 3.5Å; F8-F66 HydrophobicContact CG-CD1 4.24Å; F8-F66 HydrophobicContact CZ-CB 4.17Å
9Y94.8Very high90.3Very high57 Ų5767.4 Ų67.422%0.22437%0.366CS..Hα-helixtrans-66.9-37.5176.5-64.8-42.8000112.9E5 K6 I7 F11 C12 D13 R20E5-Y9 HydrophobicContact CG-CD2 3.99Å; E5-Y9 HydrophobicContact CG-CE2 3.33Å; E5-Y9 VanDerWaalsContact O-CD2 3.3Å; E5-Y9 WeakPolarHBondContact O-CD2 3.46Å; E5-Y9 PolarHBondContact O-N 3.33Å; E5-Y9 VanDerWaalsContact OE1-CE2 3.23Å; E5-Y9 WeakPolarHBondContact OE1-CE2 3.45Å; E5-Y9 PolarHBondContact OE1-OH 3.39Å; K6-Y9 PolarHBondContact O-N 2.95Å; K6-Y9 VanDerWaalsContact O-N 3.15Å; I7-Y9 VanDerWaalsContact C-N 3.33Å; I7-Y9 PolarHBondContact O-N 3.43Å; Y9-F11 VanDerWaalsContact C-N 3.27Å; Y9-F11 PolarHBondContact O-N 3.44Å; Y9-C12 PolarHBondContact O-N 3.45Å; Y9-C12 VanDerWaalsContact O-N 3.13Å; Y9-D13 WeakPolarHBondContact O-CB 3.4Å; Y9-D13 PolarHBondContact O-N 3.39Å; Y9-R20 HydrophobicContact CD1-CB 4.18Å; Y9-R20 HydrophobicContact CD1-CG 4.44Å; Y9-R20 HydrophobicContact CE1-CB 4.02Å; Y9-R20 VanDerWaalsContact CZ-NH2 3.3Å; Y9-R20 PolarHBondContact OH-NH2 2.85Å; Y9-R20 VanDerWaalsContact OH-NH2 3.17Å
10D94.5Very high90.4Very high65 Ų6572.1 Ų72.135%0.34838%0.378SS..Hα-helixtrans-58.6-41.7174.3-66.1-22.5000110.8K6 I7 A14 P103K6-D10 VanDerWaalsContact O-CG 3.31Å; K6-D10 PolarHBondContact O-N 2.75Å; I7-D10 WeakPolarHBondContact O-CB 3.4Å; I7-D10 PolarHBondContact O-N 3.03Å; D10-A14 VanDerWaalsContact O-CB 3.31Å; D10-A14 WeakPolarHBondContact O-CB 3.22Å; D10-A14 PolarHBondContact O-N 3.48Å; D10-P103 HydrophobicContact CB-CG 4.48Å
11F95.6Very high90.6Very high0 Ų070.6 Ų70.60%037%0.372CS..Hα-helixtrans-67.8-38.1174.3-85-75.6000113.3I7 F8 Y9 A14 V15 T26 K29 I30 D33 P103I7-F11 HydrophobicContact CG2-CD2 3.67Å; I7-F11 HydrophobicContact CG2-CE2 3.58Å; I7-F11 VanDerWaalsContact O-CD2 3.23Å; I7-F11 WeakPolarHBondContact O-CD2 3.48Å; I7-F11 PolarHBondContact O-N 3.18Å; F8-F11 PolarHBondContact O-N 3.01Å; Y9-F11 VanDerWaalsContact C-N 3.27Å; Y9-F11 PolarHBondContact O-N 3.44Å; F11-A14 PolarHBondContact O-N 3.42Å; F11-V15 PolarHBondContact O-N 2.96Å; F11-T26 HydrophobicContact CB-CG2 4.14Å; F11-K29 HydrophobicContact CD1-CB 4.48Å; F11-K29 HydrophobicContact CD1-CD 4.24Å; F11-K29 HydrophobicContact CD1-CG 4.02Å; F11-K29 HydrophobicContact CE1-CG 4.1Å; F11-I30 HydrophobicContact CB-CD1 4.06Å; F11-I30 HydrophobicContact CB-CG1 3.71Å; F11-I30 HydrophobicContact CD1-CB 4.47Å; F11-I30 HydrophobicContact CD1-CG1 3.62Å; F11-I30 HydrophobicContact CD2-CD1 4.47Å; F11-I30 HydrophobicContact CD2-CG1 3.66Å; F11-I30 HydrophobicContact CE1-CG1 4.11Å; F11-I30 HydrophobicContact CE2-CG1 4.16Å; F11-I30 HydrophobicContact CG-CD1 4.23Å; F11-I30 HydrophobicContact CG-CG1 3.38Å; F11-I30 HydrophobicContact CZ-CG1 4.37Å; F11-D33 HydrophobicContact CE1-CB 3.71Å; F11-D33 WeakPolarHBondContact CE1-OD2 3.32Å; F11-D33 HydrophobicContact CZ-CB 3.8Å; F11-P103 HydrophobicContact CD1-CB 3.83Å; F11-P103 HydrophobicContact CE1-CB 3.86Å; F11-P103 HydrophobicContact CG-CB 4.47Å
12C95.5Very high92.5Very high0 Ų061.9 Ų61.90%033%0.33CS..Hα-helixtrans-63.1-47.4175.8-65.80000110.9F8 Y9 A14 V15 K16 S19 T21F8-C12 PolarHBondContact O-N 3.2Å; F8-C12 PolarHBondContact O-SG 2.96Å; Y9-C12 PolarHBondContact O-N 3.45Å; Y9-C12 VanDerWaalsContact O-N 3.13Å; C12-A14 VanDerWaalsContact C-N 3.33Å; C12-A14 PolarHBondContact O-N 3.45Å; C12-V15 PolarHBondContact O-N 3.29Å; C12-K16 CarbonylContact O-C 3.53Å; C12-K16 PolarHBondContact O-N 3.28Å; C12-K16 VanDerWaalsContact O-O 3.08Å; C12-S19 WeakPolarHBondContact CB-O 3.4Å; C12-T21 VanDerWaalsContact SG-C 3.54Å; C12-T21 PolarHBondContact SG-O 3.15Å; C12-T21 VanDerWaalsContact SG-O 3.42Å
13D94.6Very high93.4Very high77 Ų7761 Ų6141%0.41231%0.314SS..Hα-helixtrans-61.9-40.4177.7-169.970.1000111.8Y9 V15 K16 K17 G18Y9-D13 WeakPolarHBondContact O-CB 3.4Å; Y9-D13 PolarHBondContact O-N 3.39Å; D13-V15 VanDerWaalsContact C-N 3.3Å; D13-V15 PolarHBondContact O-N 2.97Å; D13-K16 CarbonylContact O-C 3.6Å; D13-K16 PolarHBondContact O-N 2.78Å; D13-K17 WeakPolarHBondContact O-CA 3.25Å; D13-K17 PolarHBondContact O-N 3.33Å; D13-K17 VanDerWaalsContact O-N 3.12Å; D13-K17 WeakPolarHBondContact OD1-CA 3.31Å; D13-G18 PolarHBondContact OD1-N 2.97Å
14A92.7Very high93.6Very high52 Ų5258.5 Ų58.543%0.4330%0.3SS..Hα-helixtrans-66.5-26.3178.700000114.4D10 F11 C12 P103D10-A14 VanDerWaalsContact O-CB 3.31Å; D10-A14 WeakPolarHBondContact O-CB 3.22Å; D10-A14 PolarHBondContact O-N 3.48Å; F11-A14 PolarHBondContact O-N 3.42Å; C12-A14 VanDerWaalsContact C-N 3.33Å; C12-A14 PolarHBondContact O-N 3.45Å; A14-P103 HydrophobicContact CB-CB 3.5Å; A14-P103 HydrophobicContact CB-CG 3.52Å
15V92.7Very high93.7Very high54 Ų5464.3 Ų64.333%0.32733%0.325SS..Hα-helixtrans-87.6-41.7174.1174.60000111.2F11 C12 D13 K25 T26 K29F11-V15 PolarHBondContact O-N 2.96Å; C12-V15 PolarHBondContact O-N 3.29Å; D13-V15 VanDerWaalsContact C-N 3.3Å; D13-V15 PolarHBondContact O-N 2.97Å; V15-K25 HydrophobicContact CG1-CB 4.11Å; V15-T26 HydrophobicContact CG2-CG2 4.44Å; V15-K29 HydrophobicContact CG2-CB 4.31Å; V15-K29 HydrophobicContact CG2-CD 3.69Å
16K92.8Very high93.8Very high126 Ų12661.2 Ų61.255%0.54831%0.31SS..SBendtrans-143.8107.6178.8178.9-177.3176.7-172.10108.1C12 D13 G18 S19C12-K16 CarbonylContact O-C 3.53Å; C12-K16 PolarHBondContact O-N 3.28Å; C12-K16 VanDerWaalsContact O-O 3.08Å; D13-K16 CarbonylContact O-C 3.6Å; D13-K16 PolarHBondContact O-N 2.78Å; K16-G18 PolarHBondContact O-N 3Å; K16-S19 WeakPolarHBondContact O-CB 3.36Å; K16-S19 PolarHBondContact O-N 3.49Å
17K92.9Very high93.9Very high191 Ų19154.9 Ų54.983%0.8328%0.283SS*.THydrogen-bonded Turntrans-50.2125.1-179.2-169.1177-176.6178.80111.2D13 S19D13-K17 WeakPolarHBondContact O-CA 3.25Å; D13-K17 PolarHBondContact O-N 3.33Å; D13-K17 VanDerWaalsContact O-N 3.12Å; D13-K17 WeakPolarHBondContact OD1-CA 3.31Å; K17-S19 VanDerWaalsContact C-N 3.33Å
18G92.1Very high93.9Very high62 Ų6257.2 Ų57.264%0.63929%0.293SS*.THydrogen-bonded Turntrans80.80.6-177.100000115.5D13 K16D13-G18 PolarHBondContact OD1-N 2.97Å; K16-G18 PolarHBondContact O-N 3Å
19S92.8Very high93.9Very high15 Ų1559.4 Ų59.411%0.10530%0.302CS..  trans-72.4137.7178.1-165.50000111.5C12 K16 K17 T21C12-S19 WeakPolarHBondContact CB-O 3.4Å; K16-S19 WeakPolarHBondContact O-CB 3.36Å; K16-S19 PolarHBondContact O-N 3.49Å; K17-S19 VanDerWaalsContact C-N 3.33Å; S19-T21 PolarHBondContact OG-N 2.65Å; S19-T21 PolarHBondContact OG-O 2.9Å; S19-T21 PolarHBondContact OG-OG1 3.43Å
20R93.2Very high93.9Very high161 Ų16156.8 Ų56.861%0.60829%0.292SS*.  trans-112.67.2171.8-60-168.670.7-175.90.1113Y9Y9-R20 HydrophobicContact CD1-CB 4.18Å; Y9-R20 HydrophobicContact CD1-CG 4.44Å; Y9-R20 HydrophobicContact CE1-CB 4.02Å; Y9-R20 VanDerWaalsContact CZ-NH2 3.3Å; Y9-R20 PolarHBondContact OH-NH2 2.85Å; Y9-R20 VanDerWaalsContact OH-NH2 3.17Å
21T94.4Very high94Very high41 Ų4153.7 Ų53.725%0.25228%0.276SS..SBendtrans-120.8146.3178.353.20000109.7C12 S19 E60 V61C12-T21 VanDerWaalsContact SG-C 3.54Å; C12-T21 PolarHBondContact SG-O 3.15Å; C12-T21 VanDerWaalsContact SG-O 3.42Å; S19-T21 PolarHBondContact OG-N 2.65Å; S19-T21 PolarHBondContact OG-O 2.9Å; S19-T21 PolarHBondContact OG-OG1 3.43Å; T21-E60 WeakPolarHBondContact CB-OE2 3.3Å; T21-E60 PolarHBondContact OG1-OE2 2.97Å; T21-V61 CarbonylContact C-O 3.58Å; T21-V61 WeakPolarHBondContact CA-O 3.44Å
22A94.3Very high93.9Very high0 Ų056.6 Ų56.60%029%0.294CS..BIsolated β-bridgetrans-99.2132.2178.300000111F8 T26 I27 E60 V61F8-A22 HydrophobicContact CE2-CB 3.42Å; F8-A22 VanDerWaalsContact CE2-CB 3.42Å; F8-A22 HydrophobicContact CZ-CB 3.64Å; A22-T26 HydrophobicContact CB-CG2 3.73Å; A22-I27 HydrophobicContact CB-CD1 4.07Å; A22-E60 CarbonylContact O-C 3.56Å; A22-E60 VanDerWaalsContact O-CA 3.28Å; A22-E60 WeakPolarHBondContact O-CA 3.44Å; A22-V61 HydrophobicContact CB-CG2 3.87Å; A22-V61 PolarHBondContact N-O 3.35Å; A22-V61 PolarHBondContact O-N 3.29Å
23T93.9Very high93.8Very high31 Ų3156.7 Ų56.719%0.1929%0.294CS..  trans-96.2175.317055.90000110K25 T26 I27 E60T23-K25 PolarHBondContact O-N 3.4Å; T23-T26 PolarHBondContact N-OG1 2.93Å; T23-T26 VanDerWaalsContact N-OG1 3.15Å; T23-T26 WeakPolarHBondContact O-CA 3.35Å; T23-T26 WeakPolarHBondContact O-CB 3.41Å; T23-T26 PolarHBondContact O-N 2.95Å; T23-T26 PolarHBondContact OG1-N 3.2Å; T23-T26 PolarHBondContact OG1-OG1 3.01Å; T23-I27 WeakPolarHBondContact O-CG1 3.28Å; T23-I27 PolarHBondContact O-N 2.85Å; T23-E60 HydrophobicContact CG2-CG 3.86Å
24D92.8Very high93.8Very high57 Ų5753.5 Ų53.531%0.30528%0.277SS..Hα-helixtrans-52.5-37.517075-55.3000112I27 K28 F50D24-I27 PolarHBondContact O-N 3.12Å; D24-K28 WeakPolarHBondContact O-CB 3.48Å; D24-K28 VanDerWaalsContact O-CG 3.27Å; D24-K28 WeakPolarHBondContact O-CG 3.29Å; D24-K28 PolarHBondContact O-N 3.41Å; D24-K28 IonicContact OD2-NZ 3.42Å; D24-K28 PolarHBondContact OD2-NZ 3.36Å; D24-F50 HydrophobicContact CB-CD1 4.13Å; D24-F50 HydrophobicContact CB-CE1 4.02Å
25K93.5Very high93.8Very high140 Ų14056.5 Ų56.561%0.60929%0.286SS*.Hα-helixtrans-64.2-41.6175.4-64-177.3-177.7179.10112.1V15 T23 K28 K29V15-K25 HydrophobicContact CG1-CB 4.11Å; T23-K25 PolarHBondContact O-N 3.4Å; K25-K28 PolarHBondContact O-N 2.85Å; K25-K29 WeakPolarHBondContact O-CB 3.26Å; K25-K29 PolarHBondContact O-N 3.47Å
26T95.2Very high93.9Very high2 Ų254 Ų541%0.01227%0.271CS..Hα-helixtrans-63-46.2175.7-46.60000110.8F11 V15 A22 T23 K28 K29 I30F11-T26 HydrophobicContact CB-CG2 4.14Å; V15-T26 HydrophobicContact CG2-CG2 4.44Å; A22-T26 HydrophobicContact CB-CG2 3.73Å; T23-T26 PolarHBondContact N-OG1 2.93Å; T23-T26 VanDerWaalsContact N-OG1 3.15Å; T23-T26 WeakPolarHBondContact O-CA 3.35Å; T23-T26 WeakPolarHBondContact O-CB 3.41Å; T23-T26 PolarHBondContact O-N 2.95Å; T23-T26 PolarHBondContact OG1-N 3.2Å; T23-T26 PolarHBondContact OG1-OG1 3.01Å; T26-K28 PolarHBondContact O-N 3.42Å; T26-K29 PolarHBondContact O-N 3.21Å; T26-I30 HydrophobicContact CG2-CD1 4.2Å; T26-I30 WeakPolarHBondContact O-CG1 3.41Å; T26-I30 PolarHBondContact O-N 3.39Å
27I95Very high93.9Very high3 Ų350.9 Ų50.92%0.01526%0.256CS..Hα-helixtrans-60.8-45.9176-58.5-51.1000111.3A22 T23 D24 K29 I30 C31 V46 F50 F66 F69A22-I27 HydrophobicContact CB-CD1 4.07Å; T23-I27 WeakPolarHBondContact O-CG1 3.28Å; T23-I27 PolarHBondContact O-N 2.85Å; D24-I27 PolarHBondContact O-N 3.12Å; I27-K29 VanDerWaalsContact C-N 3.3Å; I27-K29 PolarHBondContact O-N 3.31Å; I27-I30 HydrophobicContact CD1-CD1 4.46Å; I27-I30 PolarHBondContact O-N 2.84Å; I27-C31 PolarHBondContact O-N 3.25Å; I27-C31 PolarHBondContact O-SG 3.43Å; I27-V46 HydrophobicContact CG2-CG1 3.58Å; I27-F50 HydrophobicContact CD1-CE2 4.34Å; I27-F50 HydrophobicContact CG1-CD2 4.03Å; I27-F50 HydrophobicContact CG1-CE1 4.46Å; I27-F50 HydrophobicContact CG1-CE2 3.76Å; I27-F50 HydrophobicContact CG1-CG 4.5Å; I27-F50 HydrophobicContact CG1-CZ 4Å; I27-F66 HydrophobicContact CD1-CD2 3.56Å; I27-F66 HydrophobicContact CD1-CE2 3.63Å; I27-F69 HydrophobicContact CG2-CE1 3.84Å; I27-F69 HydrophobicContact CG2-CZ 4.4Å
28K94.3Very high93.8Very high66 Ų6644.1 Ų44.129%0.28723%0.231SC..Hα-helixtrans-59.2-41.2176.5-76.1166-176.4155.30111.6D24 K25 T26 C31 T32 D47D24-K28 WeakPolarHBondContact O-CB 3.48Å; D24-K28 VanDerWaalsContact O-CG 3.27Å; D24-K28 WeakPolarHBondContact O-CG 3.29Å; D24-K28 PolarHBondContact O-N 3.41Å; D24-K28 IonicContact OD2-NZ 3.42Å; D24-K28 PolarHBondContact OD2-NZ 3.36Å; K25-K28 PolarHBondContact O-N 2.85Å; T26-K28 PolarHBondContact O-N 3.42Å; K28-C31 PolarHBondContact O-N 2.92Å; K28-T32 WeakPolarHBondContact O-CB 3.39Å; K28-T32 PolarHBondContact O-N 3.14Å; K28-T32 PolarHBondContact O-OG1 2.79Å; K28-D47 WeakPolarHBondContact CE-OD1 3.46Å; K28-D47 IonicContact NZ-OD1 2.75Å; K28-D47 PolarHBondContact NZ-OD1 3.38Å
29K94.4Very high93.7Very high47 Ų4751.4 Ų51.420%0.20425%0.245CC..Hα-helixtrans-65.3-46.5176.8-171.2176177.160.90111.8F11 V15 K25 T26 I27 C31 T32 D33 P103 K104F11-K29 HydrophobicContact CD1-CB 4.48Å; F11-K29 HydrophobicContact CD1-CD 4.24Å; F11-K29 HydrophobicContact CD1-CG 4.02Å; F11-K29 HydrophobicContact CE1-CG 4.1Å; V15-K29 HydrophobicContact CG2-CB 4.31Å; V15-K29 HydrophobicContact CG2-CD 3.69Å; K25-K29 WeakPolarHBondContact O-CB 3.26Å; K25-K29 PolarHBondContact O-N 3.47Å; T26-K29 PolarHBondContact O-N 3.21Å; I27-K29 VanDerWaalsContact C-N 3.3Å; I27-K29 PolarHBondContact O-N 3.31Å; K29-C31 VanDerWaalsContact C-N 3.33Å; K29-C31 PolarHBondContact O-N 2.95Å; K29-T32 PolarHBondContact O-N 3Å; K29-D33 WeakPolarHBondContact CE-OD2 3.35Å; K29-D33 WeakPolarHBondContact CG-OD2 3.29Å; K29-D33 IonicContact NZ-OD2 3.36Å; K29-D33 PolarHBondContact NZ-OD2 3.23Å; K29-D33 WeakPolarHBondContact O-CB 3.29Å; K29-D33 VanDerWaalsContact O-CG 3.32Å; K29-D33 PolarHBondContact O-N 3.33Å; K29-P103 VanDerWaalsContact CE-CB 3.48Å; K29-K104 PolarHBondContact NZ-O 3.45Å
30I95.7Very high93.5Very high2 Ų253.3 Ų53.31%0.0126%0.259CS..Hα-helixtrans-55.3-50.5174.1-68.7164.5000110F11 T26 I27 T32 D33 C34 I36 F66 I97F11-I30 HydrophobicContact CB-CD1 4.06Å; F11-I30 HydrophobicContact CB-CG1 3.71Å; F11-I30 HydrophobicContact CD1-CB 4.47Å; F11-I30 HydrophobicContact CD1-CG1 3.62Å; F11-I30 HydrophobicContact CD2-CD1 4.47Å; F11-I30 HydrophobicContact CD2-CG1 3.66Å; F11-I30 HydrophobicContact CE1-CG1 4.11Å; F11-I30 HydrophobicContact CE2-CG1 4.16Å; F11-I30 HydrophobicContact CG-CD1 4.23Å; F11-I30 HydrophobicContact CG-CG1 3.38Å; F11-I30 HydrophobicContact CZ-CG1 4.37Å; T26-I30 HydrophobicContact CG2-CD1 4.2Å; T26-I30 WeakPolarHBondContact O-CG1 3.41Å; T26-I30 PolarHBondContact O-N 3.39Å; I27-I30 HydrophobicContact CD1-CD1 4.46Å; I27-I30 PolarHBondContact O-N 2.84Å; I30-T32 VanDerWaalsContact C-N 3.28Å; I30-T32 PolarHBondContact O-N 2.62Å; I30-D33 PolarHBondContact O-N 2.96Å; I30-C34 WeakPolarHBondContact O-CB 3.27Å; I30-C34 PolarHBondContact O-N 3.07Å; I30-C34 PolarHBondContact O-SG 2.91Å; I30-I36 HydrophobicContact CG2-CD1 4.22Å; I30-F66 HydrophobicContact CD1-CE2 4.02Å; I30-F66 HydrophobicContact CD1-CZ 4.04Å; I30-I97 HydrophobicContact CG2-CD1 4.07Å; I30-I97 HydrophobicContact CG2-CG1 3.84Å; I30-I97 HydrophobicContact CG2-CG2 4.47Å
31C95Very high93.5Very high1 Ų145.7 Ų45.71%0.00723%0.23CC..Hα-helixtrans-63.1-34.8-178.2-64.10000113.2I27 K28 K29 I36 Y37 M74I27-C31 PolarHBondContact O-N 3.25Å; I27-C31 PolarHBondContact O-SG 3.43Å; K28-C31 PolarHBondContact O-N 2.92Å; K29-C31 VanDerWaalsContact C-N 3.33Å; K29-C31 PolarHBondContact O-N 2.95Å; C31-I36 HydrophobicContact CB-CB 4.23Å; C31-I36 HydrophobicContact CB-CD1 4.47Å; C31-I36 PolarHBondContact O-N 3.21Å; C31-Y37 HydrophobicContact CB-CD1 4.26Å; C31-Y37 HydrophobicContact CB-CD2 4.17Å; C31-Y37 HydrophobicContact CB-CE1 3.69Å; C31-Y37 HydrophobicContact CB-CE2 3.59Å; C31-Y37 HydrophobicContact CB-CG 4.49Å; C31-M74 WeakPolarHBondContact SG-CE 3.07Å
32T94.1Very high93.4Very high61 Ų6147.2 Ų47.237%0.37424%0.236SC..Hα-helixtrans-72.3-52.7177-51.90000111.2K28 K29 I30 C34 N35 Y37K28-T32 WeakPolarHBondContact O-CB 3.39Å; K28-T32 PolarHBondContact O-N 3.14Å; K28-T32 PolarHBondContact O-OG1 2.79Å; K29-T32 PolarHBondContact O-N 3Å; I30-T32 VanDerWaalsContact C-N 3.28Å; I30-T32 PolarHBondContact O-N 2.62Å; T32-C34 VanDerWaalsContact C-N 3.33Å; T32-C34 PolarHBondContact O-N 3.14Å; T32-N35 PolarHBondContact O-N 3.02Å; T32-Y37 WeakPolarHBondContact OG1-CE2 3.07Å
33D94.3Very high93.4Very high2 Ų249 Ų491%0.01125%0.252CS..Hα-helixtrans-72.2-29.9-170.8-67.1-3000112.3F11 K29 I30 P103 K104 H106F11-D33 HydrophobicContact CE1-CB 3.71Å; F11-D33 WeakPolarHBondContact CE1-OD2 3.32Å; F11-D33 HydrophobicContact CZ-CB 3.8Å; K29-D33 WeakPolarHBondContact CE-OD2 3.35Å; K29-D33 WeakPolarHBondContact CG-OD2 3.29Å; K29-D33 IonicContact NZ-OD2 3.36Å; K29-D33 PolarHBondContact NZ-OD2 3.23Å; K29-D33 WeakPolarHBondContact O-CB 3.29Å; K29-D33 VanDerWaalsContact O-CG 3.32Å; K29-D33 PolarHBondContact O-N 3.33Å; I30-D33 PolarHBondContact O-N 2.96Å; D33-P103 WeakPolarHBondContact OD2-CA 3.38Å; D33-K104 HydrophobicContact CB-CB 4.48Å; D33-K104 PolarHBondContact O-NZ 2.95Å; D33-K104 PolarHBondContact OD2-N 3.12Å; D33-H106 IonicContact OD1-CD2 2.79Å; D33-H106 PolarHBondContact OD1-CD2 2.89Å; D33-H106 IonicContact OD1-CE1 2.64Å; D33-H106 IonicContact OD1-NE2 2.62Å; D33-H106 PolarHBondContact OD1-NE2 3.17Å
34C94.5Very high93.4Very high9 Ų953.1 Ų53.16%0.06127%0.272CS..THydrogen-bonded Turntrans-91.66.6177.3-52.30000113.5I30 T32 I36 S100I30-C34 WeakPolarHBondContact O-CB 3.27Å; I30-C34 PolarHBondContact O-N 3.07Å; I30-C34 PolarHBondContact O-SG 2.91Å; T32-C34 VanDerWaalsContact C-N 3.33Å; T32-C34 PolarHBondContact O-N 3.14Å; C34-I36 VanDerWaalsContact C-N 3.29Å; C34-I36 HydrophobicContact CB-CD1 4.12Å; C34-I36 HydrophobicContact CB-CG1 3.86Å; C34-I36 PolarHBondContact O-N 3.38Å; C34-S100 VanDerWaalsContact SG-CB 3.54Å; C34-S100 PolarHBondContact SG-OG 2.66Å; C34-S100 VanDerWaalsContact SG-OG 3.35Å
35N92.6Very high93.4Very high116 Ų11651 Ų5162%0.6226%0.262SS*.THydrogen-bonded Turntrans51.345.5-179.7-62.7-39.8000113.2T32 K96T32-N35 PolarHBondContact O-N 3.02Å; N35-K96 PolarHBondContact O-NZ 2.67Å; N35-K96 VanDerWaalsContact O-NZ 3.09Å
36I93.9Very high93.5Very high0 Ų044.3 Ų44.30%023%0.233CC..  trans-79.6-36.3179.1-52.6-176.9000110I30 C31 C34 F41 M74 Y78 I93 K96 I97I30-I36 HydrophobicContact CG2-CD1 4.22Å; C31-I36 HydrophobicContact CB-CB 4.23Å; C31-I36 HydrophobicContact CB-CD1 4.47Å; C31-I36 PolarHBondContact O-N 3.21Å; C34-I36 VanDerWaalsContact C-N 3.29Å; C34-I36 HydrophobicContact CB-CD1 4.12Å; C34-I36 HydrophobicContact CB-CG1 3.86Å; C34-I36 PolarHBondContact O-N 3.38Å; I36-F41 HydrophobicContact CG2-CD1 4.26Å; I36-F41 HydrophobicContact CG2-CE1 3.85Å; I36-M74 HydrophobicContact CD1-CE 4.16Å; I36-M74 HydrophobicContact CG2-CE 3.73Å; I36-Y78 HydrophobicContact CG2-CD2 4.48Å; I36-Y78 HydrophobicContact CG2-CE2 4.2Å; I36-I93 HydrophobicContact CD1-CG2 4.21Å; I36-I93 HydrophobicContact CG2-CG1 4.26Å; I36-K96 HydrophobicContact CG1-CB 4.46Å; I36-K96 HydrophobicContact CG1-CD 4.38Å; I36-I97 HydrophobicContact CD1-CD1 4.19Å; I36-I97 HydrophobicContact CD1-CG1 3.86Å
37Y93.8Very high93.4Very high61 Ų6146.7 Ų46.724%0.23925%0.246CC..  trans-59.1139.4179.5-62.6-53.7000112.4C31 T32 F41 A43 V46C31-Y37 HydrophobicContact CB-CD1 4.26Å; C31-Y37 HydrophobicContact CB-CD2 4.17Å; C31-Y37 HydrophobicContact CB-CE1 3.69Å; C31-Y37 HydrophobicContact CB-CE2 3.59Å; C31-Y37 HydrophobicContact CB-CG 4.49Å; T32-Y37 WeakPolarHBondContact OG1-CE2 3.07Å; Y37-F41 CarbonylContact C-O 3.48Å; Y37-F41 WeakPolarHBondContact CA-O 3.41Å; Y37-F41 WeakPolarHBondContact CB-O 3.46Å; Y37-F41 HydrophobicContact CD1-CD1 4.32Å; Y37-F41 WeakPolarHBondContact CD1-O 3.45Å; Y37-A43 VanDerWaalsContact CE1-CA 3.44Å; Y37-A43 HydrophobicContact CE1-CB 4.15Å; Y37-V46 HydrophobicContact CD1-CG2 4.3Å; Y37-V46 HydrophobicContact CE1-CB 4.23Å; Y37-V46 HydrophobicContact CE1-CG2 3.63Å
38T90.5Very high93.3Very high50 Ų5052 Ų5231%0.30727%0.273SS..  trans-122.6176.4171.473.60000109S40 F41 Y78T38-S40 PolarHBondContact O-N 2.88Å; T38-S40 PolarHBondContact OG1-N 3.44Å; T38-S40 PolarHBondContact OG1-OG 3.25Å; T38-F41 HydrophobicContact CG2-CB 4.42Å; T38-F41 PolarHBondContact N-O 3.34Å; T38-F41 CarbonylContact O-C 3.16Å; T38-F41 PolarHBondContact O-N 3.15Å; T38-F41 VanDerWaalsContact O-O 3.04Å; T38-F41 VanDerWaalsContact OG1-CB 3.24Å; T38-F41 WeakPolarHBondContact OG1-CB 3.27Å; T38-F41 PolarHBondContact OG1-N 3.33Å; T38-Y78 HydrophobicContact CG2-CE2 4.18Å
39K89.1Confident93.2Very high215 Ų21549 Ų4994%0.93526%0.261SS*.SBendtrans-57.4-36.1176.8-172.8177.8179.8-178.60112.2
40S89.1Confident93.2Very high55 Ų5547.1 Ų47.139%0.38525%0.252SS..SBendtrans-88.9-37.6176.341.90000112.2T38 N42 Q81T38-S40 PolarHBondContact O-N 2.88Å; T38-S40 PolarHBondContact OG1-N 3.44Å; T38-S40 PolarHBondContact OG1-OG 3.25Å; S40-N42 PolarHBondContact O-N 2.9Å; S40-Q81 VanDerWaalsContact O-CD 3.31Å; S40-Q81 PolarHBondContact O-NE2 2.98Å; S40-Q81 VanDerWaalsContact O-NE2 3.14Å; S40-Q81 PolarHBondContact O-OE1 3.37Å; S40-Q81 VanDerWaalsContact O-OE1 3.07Å; S40-Q81 PolarHBondContact OG-O 3.13Å
41F92.5Very high93Very high0 Ų050.4 Ų50.40%028%0.275CS..SBendtrans-92.388.2-179.3-165.6-106.5000111.1I36 Y37 T38 A45 V46 M74 E77 Y78I36-F41 HydrophobicContact CG2-CD1 4.26Å; I36-F41 HydrophobicContact CG2-CE1 3.85Å; Y37-F41 CarbonylContact C-O 3.48Å; Y37-F41 WeakPolarHBondContact CA-O 3.41Å; Y37-F41 WeakPolarHBondContact CB-O 3.46Å; Y37-F41 HydrophobicContact CD1-CD1 4.32Å; Y37-F41 WeakPolarHBondContact CD1-O 3.45Å; T38-F41 HydrophobicContact CG2-CB 4.42Å; T38-F41 PolarHBondContact N-O 3.34Å; T38-F41 CarbonylContact O-C 3.16Å; T38-F41 PolarHBondContact O-N 3.15Å; T38-F41 VanDerWaalsContact O-O 3.04Å; T38-F41 VanDerWaalsContact OG1-CB 3.24Å; T38-F41 WeakPolarHBondContact OG1-CB 3.27Å; T38-F41 PolarHBondContact OG1-N 3.33Å; F41-A45 HydrophobicContact CD2-CB 4.27Å; F41-A45 HydrophobicContact CE2-CB 4.48Å; F41-V46 HydrophobicContact CD1-CG2 4.14Å; F41-V46 HydrophobicContact CE1-CG2 3.3Å; F41-V46 HydrophobicContact CE2-CG2 4.13Å; F41-V46 HydrophobicContact CZ-CG2 3.31Å; F41-M74 HydrophobicContact CE1-CE 3.83Å; F41-M74 HydrophobicContact CZ-CE 3.91Å; F41-M74 HydrophobicContact CZ-CG 3.89Å; F41-E77 HydrophobicContact CE2-CB 3.99Å; F41-Y78 HydrophobicContact CB-CD2 4.25Å; F41-Y78 AromaticContact CD1-CD2 3.64Å; F41-Y78 HydrophobicContact CD1-CD2 3.64Å; F41-Y78 HydrophobicContact CD1-CE2 4.11Å; F41-Y78 HydrophobicContact CD2-CD2 4.07Å; F41-Y78 AromaticContact CE1-CD2 3.87Å; F41-Y78 HydrophobicContact CE1-CD2 3.87Å; F41-Y78 HydrophobicContact CE2-CD2 4.29Å; F41-Y78 AromaticContact CG-CD2 3.73Å; F41-Y78 HydrophobicContact CG-CD2 3.73Å; F41-Y78 HydrophobicContact CG-CE2 4.38Å; F41-Y78 HydrophobicContact CZ-CD2 4.18Å
42N93.6Very high92.7Very high73 Ų7356.2 Ų56.239%0.3930%0.3SS..  trans-103.8176.7-176.464.629.5000112.5S40 N44 A45 V46S40-N42 PolarHBondContact O-N 2.9Å; N42-N44 PolarHBondContact O-N 3.14Å; N42-N44 WeakPolarHBondContact OD1-CB 3.24Å; N42-N44 PolarHBondContact OD1-N 3.4Å; N42-N44 VanDerWaalsContact OD1-N 3.14Å; N42-A45 PolarHBondContact O-N 2.99Å; N42-A45 VanDerWaalsContact O-N 3.15Å; N42-A45 PolarHBondContact OD1-N 3.07Å; N42-V46 PolarHBondContact O-N 3.48Å
43A94.2Very high92.5Very high39 Ų3955.6 Ų55.632%0.32229%0.293SS..Hα-helixtrans-56.2-35.1179.600000113.3Y37 V46 D47Y37-A43 VanDerWaalsContact CE1-CA 3.44Å; Y37-A43 HydrophobicContact CE1-CB 4.15Å; A43-V46 PolarHBondContact O-N 2.92Å; A43-D47 WeakPolarHBondContact O-CB 3.48Å; A43-D47 PolarHBondContact O-N 3.39Å
44N93.5Very high92.3Very high117 Ų11756.9 Ų56.963%0.62630%0.299SS*.Hα-helixtrans-68.1-41.3178.8-66.4-7.5000111.5N42 V46 D47 I48N42-N44 PolarHBondContact O-N 3.14Å; N42-N44 WeakPolarHBondContact OD1-CB 3.24Å; N42-N44 PolarHBondContact OD1-N 3.4Å; N42-N44 VanDerWaalsContact OD1-N 3.14Å; N44-V46 VanDerWaalsContact C-N 3.32Å; N44-V46 PolarHBondContact O-N 3.17Å; N44-D47 PolarHBondContact O-N 3.4Å; N44-I48 VanDerWaalsContact O-CG1 3.25Å; N44-I48 WeakPolarHBondContact O-CG1 3.5Å; N44-I48 PolarHBondContact O-N 2.98Å
45A93.5Very high91.7Very high11 Ų1164.9 Ų64.99%0.09133%0.333CS..Hα-helixtrans-60.8-42.7176.600000111.6F41 N42 A49F41-A45 HydrophobicContact CD2-CB 4.27Å; F41-A45 HydrophobicContact CE2-CB 4.48Å; N42-A45 PolarHBondContact O-N 2.99Å; N42-A45 VanDerWaalsContact O-N 3.15Å; N42-A45 PolarHBondContact OD1-N 3.07Å; A45-A49 WeakPolarHBondContact O-CB 3.34Å; A45-A49 PolarHBondContact O-N 3.21Å
46V94.7Very high90.7Very high1 Ų165.4 Ų65.41%0.00635%0.346CS..Hα-helixtrans-64.1-44.6175.5173.90000111.7I27 Y37 F41 N42 A43 N44 I48 A49 F50 F69 M74I27-V46 HydrophobicContact CG2-CG1 3.58Å; Y37-V46 HydrophobicContact CD1-CG2 4.3Å; Y37-V46 HydrophobicContact CE1-CB 4.23Å; Y37-V46 HydrophobicContact CE1-CG2 3.63Å; F41-V46 HydrophobicContact CD1-CG2 4.14Å; F41-V46 HydrophobicContact CE1-CG2 3.3Å; F41-V46 HydrophobicContact CE2-CG2 4.13Å; F41-V46 HydrophobicContact CZ-CG2 3.31Å; N42-V46 PolarHBondContact O-N 3.48Å; A43-V46 PolarHBondContact O-N 2.92Å; N44-V46 VanDerWaalsContact C-N 3.32Å; N44-V46 PolarHBondContact O-N 3.17Å; V46-I48 PolarHBondContact O-N 3.43Å; V46-A49 PolarHBondContact O-N 2.81Å; V46-F50 VanDerWaalsContact O-CB 3.31Å; V46-F50 WeakPolarHBondContact O-CB 3.37Å; V46-F50 PolarHBondContact O-N 3.29Å; V46-F69 HydrophobicContact CG1-CZ 4.43Å; V46-M74 HydrophobicContact CG2-CE 4.33Å
47D92.9Very high89.6Confident51 Ų5169.8 Ų69.827%0.27338%0.382SS..Hα-helixtrans-62-43.4-179.7-164.282.9000111.7K28 A43 N44 F50 C51K28-D47 WeakPolarHBondContact CE-OD1 3.46Å; K28-D47 IonicContact NZ-OD1 2.75Å; K28-D47 PolarHBondContact NZ-OD1 3.38Å; A43-D47 WeakPolarHBondContact O-CB 3.48Å; A43-D47 PolarHBondContact O-N 3.39Å; N44-D47 PolarHBondContact O-N 3.4Å; D47-F50 PolarHBondContact O-N 3.19Å; D47-C51 WeakPolarHBondContact O-CB 3.13Å; D47-C51 PolarHBondContact O-N 2.91Å; D47-C51 PolarHBondContact O-SG 3.43Å
48I92.6Very high88.7Confident116 Ų11672.3 Ų72.360%0.59539%0.394SS*.Hα-helixtrans-62.2-47.5174-67166.9000110.9N44 V46 F50 C51 K52N44-I48 VanDerWaalsContact O-CG1 3.25Å; N44-I48 WeakPolarHBondContact O-CG1 3.5Å; N44-I48 PolarHBondContact O-N 2.98Å; V46-I48 PolarHBondContact O-N 3.43Å; I48-F50 VanDerWaalsContact C-N 3.28Å; I48-F50 PolarHBondContact O-N 3.3Å; I48-C51 PolarHBondContact O-N 3.42Å; I48-K52 WeakPolarHBondContact O-CB 3.46Å; I48-K52 PolarHBondContact O-N 3.16Å
49A93Very high88.4Confident2 Ų278.9 Ų78.92%0.01742%0.419CS..Hα-helixtrans-60.3-40.4178.100000111.6A45 V46 K52 H53 F69 A73 E77A45-A49 WeakPolarHBondContact O-CB 3.34Å; A45-A49 PolarHBondContact O-N 3.21Å; V46-A49 PolarHBondContact O-N 2.81Å; A49-K52 PolarHBondContact O-N 2.95Å; A49-H53 WeakPolarHBondContact O-CB 3.5Å; A49-H53 PolarHBondContact O-N 3.44Å; A49-F69 HydrophobicContact CB-CE2 3.95Å; A49-F69 HydrophobicContact CB-CZ 4.42Å; A49-A73 HydrophobicContact CB-CB 4.3Å; A49-E77 HydrophobicContact CB-CG 4.08Å
50F93.7Very high88.4Confident7 Ų772.2 Ų72.23%0.03139%0.391CS..Hα-helixtrans-67.7-43.8179.3-171.8-120000111.4D24 I27 V46 D47 I48 K52 H53 L54 V61 F69D24-F50 HydrophobicContact CB-CD1 4.13Å; D24-F50 HydrophobicContact CB-CE1 4.02Å; I27-F50 HydrophobicContact CD1-CE2 4.34Å; I27-F50 HydrophobicContact CG1-CD2 4.03Å; I27-F50 HydrophobicContact CG1-CE1 4.46Å; I27-F50 HydrophobicContact CG1-CE2 3.76Å; I27-F50 HydrophobicContact CG1-CG 4.5Å; I27-F50 HydrophobicContact CG1-CZ 4Å; V46-F50 VanDerWaalsContact O-CB 3.31Å; V46-F50 WeakPolarHBondContact O-CB 3.37Å; V46-F50 PolarHBondContact O-N 3.29Å; D47-F50 PolarHBondContact O-N 3.19Å; I48-F50 VanDerWaalsContact C-N 3.28Å; I48-F50 PolarHBondContact O-N 3.3Å; F50-K52 VanDerWaalsContact C-N 3.35Å; F50-K52 PolarHBondContact O-N 3.34Å; F50-H53 WeakPolarHBondContact O-CB 3.43Å; F50-H53 PolarHBondContact O-N 3.04Å; F50-L54 HydrophobicContact CD1-CD1 3.77Å; F50-L54 HydrophobicContact CE1-CD1 3.43Å; F50-L54 VanDerWaalsContact CE1-CD1 3.43Å; F50-L54 HydrophobicContact CE1-CG 4.4Å; F50-L54 HydrophobicContact CE2-CD1 4.23Å; F50-L54 HydrophobicContact CE2-CG 4.38Å; F50-L54 HydrophobicContact CG-CD1 4.31Å; F50-L54 HydrophobicContact CZ-CD1 3.69Å; F50-L54 HydrophobicContact CZ-CD2 4.44Å; F50-L54 HydrophobicContact CZ-CG 4.27Å; F50-L54 WeakPolarHBondContact O-CG 3.25Å; F50-L54 PolarHBondContact O-N 3.46Å; F50-V61 HydrophobicContact CE2-CG1 3.7Å; F50-V61 HydrophobicContact CE2-CG2 3.93Å; F50-V61 HydrophobicContact CZ-CG1 4Å; F50-V61 HydrophobicContact CZ-CG2 4.21Å; F50-F69 VanDerWaalsContact CA-CE2 3.5Å; F50-F69 HydrophobicContact CB-CE2 3.99Å; F50-F69 HydrophobicContact CB-CZ 3.93Å; F50-F69 HydrophobicContact CD2-CD1 4.22Å; F50-F69 HydrophobicContact CD2-CD2 4.23Å; F50-F69 HydrophobicContact CD2-CE1 4.12Å; F50-F69 HydrophobicContact CD2-CE2 4.14Å; F50-F69 HydrophobicContact CD2-CG 4.27Å; F50-F69 HydrophobicContact CD2-CZ 4.07Å; F50-F69 HydrophobicContact CG-CZ 4.47Å
51C91.1Very high88.5Confident72 Ų7269.6 Ų69.649%0.48637%0.373SS..Hα-helixtrans-60.7-42.9174.1-69.30000112.1D47 I48 H53 L54 K55D47-C51 WeakPolarHBondContact O-CB 3.13Å; D47-C51 PolarHBondContact O-N 2.91Å; D47-C51 PolarHBondContact O-SG 3.43Å; I48-C51 PolarHBondContact O-N 3.42Å; C51-H53 VanDerWaalsContact C-N 3.3Å; C51-H53 PolarHBondContact O-N 3.32Å; C51-L54 PolarHBondContact O-N 3Å; C51-K55 PolarHBondContact O-N 3.42Å
52K89.8Confident88.6Confident123 Ų12373 Ų7354%0.53539%0.39SS..Hα-helixtrans-59.9-40.3175.2-175.5-173.8176.2-166.20111.6I48 A49 F50 E76I48-K52 WeakPolarHBondContact O-CB 3.46Å; I48-K52 PolarHBondContact O-N 3.16Å; A49-K52 PolarHBondContact O-N 2.95Å; F50-K52 VanDerWaalsContact C-N 3.35Å; F50-K52 PolarHBondContact O-N 3.34Å; K52-E76 IonicContact NZ-OE2 3.21Å; K52-E76 PolarHBondContact NZ-OE2 3.23Å
53H90.5Very high88.6Confident48 Ų4870.9 Ų70.922%0.22238%0.378CS..Hα-helixtrans-66.9-40.5178.4-176.976.8000112.6A49 F50 C51 K55 D65 F69 A73A49-H53 WeakPolarHBondContact O-CB 3.5Å; A49-H53 PolarHBondContact O-N 3.44Å; F50-H53 WeakPolarHBondContact O-CB 3.43Å; F50-H53 PolarHBondContact O-N 3.04Å; C51-H53 VanDerWaalsContact C-N 3.3Å; C51-H53 PolarHBondContact O-N 3.32Å; H53-K55 PolarHBondContact O-N 3.18Å; H53-D65 PolarHBondContact NE2-O 3.47Å; H53-F69 HydrophobicContact CB-CD2 3.74Å; H53-F69 HydrophobicContact CB-CE2 4.47Å; H53-F69 PolarHBondContact CE1-N 2.9Å; H53-F69 AromaticContact CG-CD2 3.9Å; H53-A73 HydrophobicContact CB-CB 4.32Å
54L88.2Confident88.6Confident28 Ų2872.2 Ų72.215%0.14739%0.385CS..Hα-helixtrans-74.3-20-177-72.1173.3000115F50 C51 S56 A57 K58 V61F50-L54 HydrophobicContact CD1-CD1 3.77Å; F50-L54 HydrophobicContact CE1-CD1 3.43Å; F50-L54 VanDerWaalsContact CE1-CD1 3.43Å; F50-L54 HydrophobicContact CE1-CG 4.4Å; F50-L54 HydrophobicContact CE2-CD1 4.23Å; F50-L54 HydrophobicContact CE2-CG 4.38Å; F50-L54 HydrophobicContact CG-CD1 4.31Å; F50-L54 HydrophobicContact CZ-CD1 3.69Å; F50-L54 HydrophobicContact CZ-CD2 4.44Å; F50-L54 HydrophobicContact CZ-CG 4.27Å; F50-L54 WeakPolarHBondContact O-CG 3.25Å; F50-L54 PolarHBondContact O-N 3.46Å; C51-L54 PolarHBondContact O-N 3Å; L54-S56 PolarHBondContact O-N 3.29Å; L54-S56 VanDerWaalsContact O-N 3.11Å; L54-A57 PolarHBondContact O-N 3.34Å; L54-K58 WeakPolarHBondContact CD1-O 3.5Å; L54-K58 HydrophobicContact CD2-CB 4.01Å; L54-V61 HydrophobicContact CD2-CG1 3.49Å; L54-V61 VanDerWaalsContact CD2-CG1 3.49Å; L54-V61 HydrophobicContact CG-CG1 4.49Å
55K82.9Confident88.5Confident178 Ų17867.8 Ų67.877%0.77436%0.361SS*.THydrogen-bonded Turntrans49.336.8-179.9-57.1179.9-176.6177.40113.7C51 H53 A57C51-K55 PolarHBondContact O-N 3.42Å; H53-K55 PolarHBondContact O-N 3.18Å; K55-A57 VanDerWaalsContact C-N 3.31Å; K55-A57 PolarHBondContact O-N 3.08Å
56S70.9Confident88.6Confident127 Ų12767.4 Ų67.489%0.88836%0.357SS*.THydrogen-bonded Turntrans68.5-3.1177.5-56.10000118.7L54L54-S56 PolarHBondContact O-N 3.29Å; L54-S56 VanDerWaalsContact O-N 3.11Å
57A70.7Confident88.6Confident91 Ų9168.4 Ų68.475%0.75236%0.363SS*.THydrogen-bonded Turntrans-92.8-39.4-173.300000114.5L54 K55L54-A57 PolarHBondContact O-N 3.34Å; K55-A57 VanDerWaalsContact C-N 3.31Å; K55-A57 PolarHBondContact O-N 3.08Å
58K76Confident88.6Confident114 Ų11473.3 Ų73.350%0.49638%0.378SS..  trans-109142.4-175.9-63.2-176-174.2-178.90110.4L54 D65L54-K58 WeakPolarHBondContact CD1-O 3.5Å; L54-K58 HydrophobicContact CD2-CB 4.01Å; K58-D65 IonicContact NZ-OD2 2.84Å; K58-D65 PolarHBondContact NZ-OD2 2.8Å
59K82.9Confident88.7Confident189 Ų18967.8 Ų67.882%0.82235%0.35SS*.SBendtrans-95.4-9.3171.8-65.9-174.3179.5-179.10113
60E90.1Very high88.8Confident74 Ų7467.8 Ų67.835%0.34635%0.349SS..  trans-139.1148.9-174-54.3-172.7169.400109.4T21 A22 T23T21-E60 WeakPolarHBondContact CB-OE2 3.3Å; T21-E60 PolarHBondContact OG1-OE2 2.97Å; A22-E60 CarbonylContact O-C 3.56Å; A22-E60 VanDerWaalsContact O-CA 3.28Å; A22-E60 WeakPolarHBondContact O-CA 3.44Å; T23-E60 HydrophobicContact CG2-CG 3.86Å
61V92Very high88.8Confident1 Ų171.4 Ų71.41%0.00637%0.366CS..BIsolated β-bridgetrans-116.3141.3174.3-63.30000110.3T21 A22 F50 L54 D65 F66T21-V61 CarbonylContact C-O 3.58Å; T21-V61 WeakPolarHBondContact CA-O 3.44Å; A22-V61 HydrophobicContact CB-CG2 3.87Å; A22-V61 PolarHBondContact N-O 3.35Å; A22-V61 PolarHBondContact O-N 3.29Å; F50-V61 HydrophobicContact CE2-CG1 3.7Å; F50-V61 HydrophobicContact CE2-CG2 3.93Å; F50-V61 HydrophobicContact CZ-CG1 4Å; F50-V61 HydrophobicContact CZ-CG2 4.21Å; L54-V61 HydrophobicContact CD2-CG1 3.49Å; L54-V61 VanDerWaalsContact CD2-CG1 3.49Å; L54-V61 HydrophobicContact CG-CG1 4.49Å; V61-D65 HydrophobicContact CB-CB 3.78Å; V61-D65 HydrophobicContact CG1-CB 4.06Å; V61-F66 HydrophobicContact CG2-CB 4.17Å
62D93.8Very high88.9Confident70 Ų7069 Ų6937%0.37436%0.355SS..  trans-79.7-179.8166.664.629000110.5S64 D65 F66D62-S64 VanDerWaalsContact C-N 3.29Å; D62-S64 PolarHBondContact O-N 3.31Å; D62-S64 WeakPolarHBondContact OD1-CA 3.44Å; D62-S64 WeakPolarHBondContact OD1-CB 3.32Å; D62-S64 PolarHBondContact OD1-N 2.85Å; D62-D65 PolarHBondContact O-N 3.17Å; D62-D65 WeakPolarHBondContact OD1-CB 3.47Å; D62-D65 PolarHBondContact OD1-N 3.06Å; D62-F66 VanDerWaalsContact O-CB 3.29Å; D62-F66 WeakPolarHBondContact O-CB 3.27Å; D62-F66 PolarHBondContact O-N 3.42Å
63F94.1Very high89Confident30 Ų3063.8 Ų63.813%0.13233%0.334CS..Hα-helixtrans-61.5-36.2179.3177.3-110.9000112.7L4 E5 F8 F66 V67L4-F63 HydrophobicContact CD2-CE2 4.44Å; L4-F63 HydrophobicContact CD2-CZ 4.47Å; L4-F63 HydrophobicContact CG-CE2 4.1Å; L4-F63 HydrophobicContact CG-CZ 4.41Å; E5-F63 HydrophobicContact CB-CD1 4.21Å; E5-F63 HydrophobicContact CB-CD2 4.17Å; E5-F63 HydrophobicContact CB-CE1 3.83Å; E5-F63 HydrophobicContact CB-CE2 3.79Å; E5-F63 HydrophobicContact CB-CG 4.37Å; E5-F63 HydrophobicContact CB-CZ 3.6Å; E5-F63 HydrophobicContact CG-CD1 3.95Å; E5-F63 HydrophobicContact CG-CD2 4.14Å; E5-F63 HydrophobicContact CG-CE1 4.08Å; E5-F63 HydrophobicContact CG-CE2 4.27Å; E5-F63 HydrophobicContact CG-CG 3.99Å; E5-F63 HydrophobicContact CG-CZ 4.24Å; F8-F63 HydrophobicContact CB-CD2 3.91Å; F8-F63 HydrophobicContact CB-CE2 4.28Å; F8-F63 HydrophobicContact CD1-CB 3.98Å; F8-F63 AromaticContact CD1-CD2 3.87Å; F8-F63 HydrophobicContact CD1-CD2 3.87Å; F8-F63 HydrophobicContact CD1-CG 4.39Å; F8-F63 HydrophobicContact CE1-CB 3.95Å; F8-F63 AromaticContact CG-CD2 3.85Å; F8-F63 HydrophobicContact CG-CD2 3.85Å; F63-F66 HydrophobicContact CD2-CD1 4.41Å; F63-F66 PolarHBondContact O-N 2.71Å; F63-V67 HydrophobicContact CD1-CG2 4.5Å; F63-V67 HydrophobicContact CD2-CG2 4.32Å; F63-V67 HydrophobicContact CE1-CG2 4.01Å; F63-V67 HydrophobicContact CE2-CG2 3.8Å; F63-V67 HydrophobicContact CZ-CG2 3.63Å; F63-V67 WeakPolarHBondContact O-CG2 3.35Å; F63-V67 PolarHBondContact O-N 3.26Å
64S92.8Very high89.2Confident66 Ų6661.6 Ų61.646%0.46232%0.324SS..Hα-helixtrans-69.5-45.7-178.9-168.50000111.3D62 F66 V67 R68D62-S64 VanDerWaalsContact C-N 3.29Å; D62-S64 PolarHBondContact O-N 3.31Å; D62-S64 WeakPolarHBondContact OD1-CA 3.44Å; D62-S64 WeakPolarHBondContact OD1-CB 3.32Å; D62-S64 PolarHBondContact OD1-N 2.85Å; S64-F66 VanDerWaalsContact C-N 3.32Å; S64-V67 PolarHBondContact O-N 3.26Å; S64-R68 WeakPolarHBondContact O-CG 3.23Å; S64-R68 PolarHBondContact O-N 2.62Å
65D93.2Very high89.5Confident24 Ų2460.3 Ų60.313%0.12832%0.317CS..Hα-helixtrans-63.8-38.3174.1-77-18.4000110.3H53 K58 V61 D62 R68 F69H53-D65 PolarHBondContact NE2-O 3.47Å; K58-D65 IonicContact NZ-OD2 2.84Å; K58-D65 PolarHBondContact NZ-OD2 2.8Å; V61-D65 HydrophobicContact CB-CB 3.78Å; V61-D65 HydrophobicContact CG1-CB 4.06Å; D62-D65 PolarHBondContact O-N 3.17Å; D62-D65 WeakPolarHBondContact OD1-CB 3.47Å; D62-D65 PolarHBondContact OD1-N 3.06Å; D65-R68 PolarHBondContact O-N 2.7Å; D65-F69 WeakPolarHBondContact O-CB 3.42Å; D65-F69 PolarHBondContact O-N 2.92Å
66F94.4Very high90Very high3 Ų355.5 Ų55.51%0.01330%0.297CS..Hα-helixtrans-61-45.2173.7174.3-108.7000112.9F8 I27 I30 V61 D62 F63 S64 R68 F69 V70 I97F8-F66 HydrophobicContact CD2-CB 4.09Å; F8-F66 AromaticContact CD2-CD1 3.45Å; F8-F66 HydrophobicContact CD2-CD1 3.45Å; F8-F66 VanDerWaalsContact CD2-CD1 3.45Å; F8-F66 HydrophobicContact CD2-CD2 4.16Å; F8-F66 AromaticContact CD2-CE1 3.83Å; F8-F66 HydrophobicContact CD2-CE1 3.83Å; F8-F66 HydrophobicContact CD2-CE2 4.48Å; F8-F66 AromaticContact CD2-CG 3.62Å; F8-F66 HydrophobicContact CD2-CG 3.62Å; F8-F66 HydrophobicContact CD2-CZ 4.32Å; F8-F66 HydrophobicContact CE2-CB 3.57Å; F8-F66 AromaticContact CE2-CD1 3.85Å; F8-F66 HydrophobicContact CE2-CD1 3.85Å; F8-F66 AromaticContact CE2-CD2 3.96Å; F8-F66 HydrophobicContact CE2-CD2 3.96Å; F8-F66 AromaticContact CE2-CG 3.5Å; F8-F66 HydrophobicContact CE2-CG 3.5Å; F8-F66 HydrophobicContact CG-CD1 4.24Å; F8-F66 HydrophobicContact CZ-CB 4.17Å; I27-F66 HydrophobicContact CD1-CD2 3.56Å; I27-F66 HydrophobicContact CD1-CE2 3.63Å; I30-F66 HydrophobicContact CD1-CE2 4.02Å; I30-F66 HydrophobicContact CD1-CZ 4.04Å; V61-F66 HydrophobicContact CG2-CB 4.17Å; D62-F66 VanDerWaalsContact O-CB 3.29Å; D62-F66 WeakPolarHBondContact O-CB 3.27Å; D62-F66 PolarHBondContact O-N 3.42Å; F63-F66 HydrophobicContact CD2-CD1 4.41Å; F63-F66 PolarHBondContact O-N 2.71Å; S64-F66 VanDerWaalsContact C-N 3.32Å; F66-R68 VanDerWaalsContact C-N 3.33Å; F66-R68 PolarHBondContact O-N 3.01Å; F66-F69 HydrophobicContact CD2-CD1 4.44Å; F66-F69 WeakPolarHBondContact O-CB 3.46Å; F66-F69 PolarHBondContact O-N 3.45Å; F66-V70 HydrophobicContact CD2-CG2 4.23Å; F66-V70 HydrophobicContact CE1-CG2 4.08Å; F66-V70 HydrophobicContact CE2-CG2 3.77Å; F66-V70 HydrophobicContact CZ-CG2 3.7Å; F66-V70 WeakPolarHBondContact O-CG2 3.43Å; F66-V70 PolarHBondContact O-N 2.84Å; F66-I97 HydrophobicContact CZ-CD1 3.94Å
67V94.5Very high91Very high22 Ų2251.5 Ų51.513%0.13327%0.265CS..Hα-helixtrans-62-43.5176.6171.90000110.6L4 F63 S64 F69 V70 E71L4-V67 HydrophobicContact CD2-CG2 4.41Å; F63-V67 HydrophobicContact CD1-CG2 4.5Å; F63-V67 HydrophobicContact CD2-CG2 4.32Å; F63-V67 HydrophobicContact CE1-CG2 4.01Å; F63-V67 HydrophobicContact CE2-CG2 3.8Å; F63-V67 HydrophobicContact CZ-CG2 3.63Å; F63-V67 WeakPolarHBondContact O-CG2 3.35Å; F63-V67 PolarHBondContact O-N 3.26Å; S64-V67 PolarHBondContact O-N 3.26Å; V67-F69 VanDerWaalsContact C-N 3.31Å; V67-F69 PolarHBondContact O-N 3.12Å; V67-V70 PolarHBondContact O-N 2.85Å; V67-E71 HydrophobicContact CG1-CG 4.33Å; V67-E71 WeakPolarHBondContact O-CB 3.45Å; V67-E71 WeakPolarHBondContact O-CG 3.35Å; V67-E71 PolarHBondContact O-N 3.39Å
68R93.6Very high92Very high155 Ų15547.3 Ų47.359%0.58523%0.229SC*.Hα-helixtrans-62.4-36.8175.2-71.1172.7170.2-175.5-2.2112.7S64 D65 F66 G72S64-R68 WeakPolarHBondContact O-CG 3.23Å; S64-R68 PolarHBondContact O-N 2.62Å; D65-R68 PolarHBondContact O-N 2.7Å; F66-R68 VanDerWaalsContact C-N 3.33Å; F66-R68 PolarHBondContact O-N 3.01Å; R68-G72 PolarHBondContact O-N 3.46Å
69F94.5Very high92.9Very high0 Ų042.2 Ų42.20%021%0.209CC..Hα-helixtrans-63.7-47174.6168.8-116.4000111.5I27 V46 A49 F50 H53 D65 F66 V67 G72 A73 M74I27-F69 HydrophobicContact CG2-CE1 3.84Å; I27-F69 HydrophobicContact CG2-CZ 4.4Å; V46-F69 HydrophobicContact CG1-CZ 4.43Å; A49-F69 HydrophobicContact CB-CE2 3.95Å; A49-F69 HydrophobicContact CB-CZ 4.42Å; F50-F69 VanDerWaalsContact CA-CE2 3.5Å; F50-F69 HydrophobicContact CB-CE2 3.99Å; F50-F69 HydrophobicContact CB-CZ 3.93Å; F50-F69 HydrophobicContact CD2-CD1 4.22Å; F50-F69 HydrophobicContact CD2-CD2 4.23Å; F50-F69 HydrophobicContact CD2-CE1 4.12Å; F50-F69 HydrophobicContact CD2-CE2 4.14Å; F50-F69 HydrophobicContact CD2-CG 4.27Å; F50-F69 HydrophobicContact CD2-CZ 4.07Å; F50-F69 HydrophobicContact CG-CZ 4.47Å; H53-F69 HydrophobicContact CB-CD2 3.74Å; H53-F69 HydrophobicContact CB-CE2 4.47Å; H53-F69 PolarHBondContact CE1-N 2.9Å; H53-F69 AromaticContact CG-CD2 3.9Å; D65-F69 WeakPolarHBondContact O-CB 3.42Å; D65-F69 PolarHBondContact O-N 2.92Å; F66-F69 HydrophobicContact CD2-CD1 4.44Å; F66-F69 WeakPolarHBondContact O-CB 3.46Å; F66-F69 PolarHBondContact O-N 3.45Å; V67-F69 VanDerWaalsContact C-N 3.31Å; V67-F69 PolarHBondContact O-N 3.12Å; F69-G72 PolarHBondContact O-N 3.25Å; F69-A73 HydrophobicContact CD2-CB 4.25Å; F69-A73 HydrophobicContact CE2-CB 4.36Å; F69-A73 PolarHBondContact O-N 2.93Å; F69-M74 HydrophobicContact CD1-CB 4.45Å; F69-M74 HydrophobicContact CD1-SD 4.41Å; F69-M74 HydrophobicContact CD2-CB 4.36Å; F69-M74 HydrophobicContact CE1-CB 4.06Å; F69-M74 HydrophobicContact CE1-CG 4.2Å; F69-M74 HydrophobicContact CE1-SD 3.76Å; F69-M74 HydrophobicContact CE2-CB 3.94Å; F69-M74 HydrophobicContact CZ-CB 3.8Å; F69-M74 HydrophobicContact CZ-CG 4.04Å; F69-M74 HydrophobicContact CZ-SD 4.18Å; F69-M74 VanDerWaalsContact O-CB 3.29Å; F69-M74 WeakPolarHBondContact O-CB 3.4Å; F69-M74 PolarHBondContact O-N 3.26Å
70V94.3Very high93.2Very high1 Ų139.3 Ų39.31%0.00620%0.196CC..Iπ-helixtrans-64.2-41.9179.1169.70000111.8F66 V67 M74 A75 I93 K94 I97F66-V70 HydrophobicContact CD2-CG2 4.23Å; F66-V70 HydrophobicContact CE1-CG2 4.08Å; F66-V70 HydrophobicContact CE2-CG2 3.77Å; F66-V70 HydrophobicContact CZ-CG2 3.7Å; F66-V70 WeakPolarHBondContact O-CG2 3.43Å; F66-V70 PolarHBondContact O-N 2.84Å; V67-V70 PolarHBondContact O-N 2.85Å; V70-M74 HydrophobicContact CG2-SD 4.22Å; V70-A75 VanDerWaalsContact O-CB 3.27Å; V70-A75 WeakPolarHBondContact O-CB 3.37Å; V70-A75 PolarHBondContact O-N 2.92Å; V70-I93 HydrophobicContact CG1-CB 4.19Å; V70-I93 HydrophobicContact CG1-CG2 3.6Å; V70-I93 HydrophobicContact CG2-CG2 4.46Å; V70-K94 HydrophobicContact CG1-CG 3.88Å; V70-I97 HydrophobicContact CG2-CD1 4.47Å
71E93.6Very high93.2Very high83 Ų8338.4 Ų38.439%0.38819%0.192SC..Iπ-helixtrans-76.6-25.2179.3-69.9175.9172.100113.8V67 K94V67-E71 HydrophobicContact CG1-CG 4.33Å; V67-E71 WeakPolarHBondContact O-CB 3.45Å; V67-E71 WeakPolarHBondContact O-CG 3.35Å; V67-E71 PolarHBondContact O-N 3.39Å; E71-K94 WeakPolarHBondContact OE1-CE 3.44Å; E71-K94 IonicContact OE1-NZ 3.59Å; E71-K94 PolarHBondContact OE1-NZ 3.33Å
72G93.6Very high93Very high23 Ų2342.7 Ų42.724%0.23721%0.21CC..Iπ-helixtrans-104.2-102.6-176.500000112.7R68 F69 M74 A75 E76R68-G72 PolarHBondContact O-N 3.46Å; F69-G72 PolarHBondContact O-N 3.25Å; G72-M74 VanDerWaalsContact C-N 3.28Å; G72-M74 PolarHBondContact O-N 3.26Å; G72-A75 PolarHBondContact O-N 3.22Å; G72-A75 VanDerWaalsContact O-N 3.14Å; G72-E76 WeakPolarHBondContact O-CG 3.41Å; G72-E76 PolarHBondContact O-N 3.3Å
73A93.3Very high92.8Very high12 Ų1246.4 Ų46.410%0.09923%0.23CC..Iπ-helixtrans-57.9-37.4-169.100000113.5A49 H53 F69 E77A49-A73 HydrophobicContact CB-CB 4.3Å; H53-A73 HydrophobicContact CB-CB 4.32Å; F69-A73 HydrophobicContact CD2-CB 4.25Å; F69-A73 HydrophobicContact CE2-CB 4.36Å; F69-A73 PolarHBondContact O-N 2.93Å; A73-E77 WeakPolarHBondContact O-CG 3.33Å; A73-E77 PolarHBondContact O-N 3.43Å
74M93.4Very high92.7Very high3 Ų347.3 Ų47.32%0.01524%0.236CC..Iπ-helixtrans-71.5-43.7178.6-164-178.1179.200111.8C31 I36 F41 V46 F69 V70 G72 E77 Y78 I93C31-M74 WeakPolarHBondContact SG-CE 3.07Å; I36-M74 HydrophobicContact CD1-CE 4.16Å; I36-M74 HydrophobicContact CG2-CE 3.73Å; F41-M74 HydrophobicContact CE1-CE 3.83Å; F41-M74 HydrophobicContact CZ-CE 3.91Å; F41-M74 HydrophobicContact CZ-CG 3.89Å; V46-M74 HydrophobicContact CG2-CE 4.33Å; F69-M74 HydrophobicContact CD1-CB 4.45Å; F69-M74 HydrophobicContact CD1-SD 4.41Å; F69-M74 HydrophobicContact CD2-CB 4.36Å; F69-M74 HydrophobicContact CE1-CB 4.06Å; F69-M74 HydrophobicContact CE1-CG 4.2Å; F69-M74 HydrophobicContact CE1-SD 3.76Å; F69-M74 HydrophobicContact CE2-CB 3.94Å; F69-M74 HydrophobicContact CZ-CB 3.8Å; F69-M74 HydrophobicContact CZ-CG 4.04Å; F69-M74 HydrophobicContact CZ-SD 4.18Å; F69-M74 VanDerWaalsContact O-CB 3.29Å; F69-M74 WeakPolarHBondContact O-CB 3.4Å; F69-M74 PolarHBondContact O-N 3.26Å; V70-M74 HydrophobicContact CG2-SD 4.22Å; G72-M74 VanDerWaalsContact C-N 3.28Å; G72-M74 PolarHBondContact O-N 3.26Å; M74-E77 PolarHBondContact O-N 3Å; M74-Y78 VanDerWaalsContact O-CB 3.29Å; M74-Y78 WeakPolarHBondContact O-CB 3.15Å; M74-Y78 PolarHBondContact O-N 3.48Å; M74-I93 HydrophobicContact CE-CD1 4.43Å; M74-I93 HydrophobicContact CE-CG2 4.25Å; M74-I93 HydrophobicContact CG-CD1 4.08Å; M74-I93 HydrophobicContact SD-CD1 4.32Å; M74-I93 HydrophobicContact SD-CG2 4.12Å
75A94.4Very high92.7Very high0 Ų046.4 Ų46.40%023%0.23CC..Hα-helixtrans-65.4-39177.500000112.2V70 G72 Y78 A79 T86 A89V70-A75 VanDerWaalsContact O-CB 3.27Å; V70-A75 WeakPolarHBondContact O-CB 3.37Å; V70-A75 PolarHBondContact O-N 2.92Å; G72-A75 PolarHBondContact O-N 3.22Å; G72-A75 VanDerWaalsContact O-N 3.14Å; A75-Y78 PolarHBondContact O-N 2.85Å; A75-A79 WeakPolarHBondContact O-CB 3.38Å; A75-A79 PolarHBondContact O-N 2.67Å; A75-T86 HydrophobicContact CB-CG2 3.84Å; A75-A89 HydrophobicContact CB-CB 4.19Å
76E93.4Very high92.7Very high77 Ų7748.4 Ų48.436%0.3624%0.243SC..Hα-helixtrans-58.6-48.6174.6-75176.3-169.800111.8K52 G72 K80 T86K52-E76 IonicContact NZ-OE2 3.21Å; K52-E76 PolarHBondContact NZ-OE2 3.23Å; G72-E76 WeakPolarHBondContact O-CG 3.41Å; G72-E76 PolarHBondContact O-N 3.3Å; E76-K80 VanDerWaalsContact O-CG 3.26Å; E76-K80 WeakPolarHBondContact O-CG 3.47Å; E76-K80 PolarHBondContact O-N 3.46Å; E76-K80 VanDerWaalsContact O-N 3.12Å; E76-T86 HydrophobicContact CG-CG2 4.32Å
77E92.2Very high92.6Very high44 Ų4452.6 Ų52.621%0.20627%0.269CS..Hα-helixtrans-69-38.7179.7-69.3-56.1131.100112F41 A49 A73 M74 K80 Q81F41-E77 HydrophobicContact CE2-CB 3.99Å; A49-E77 HydrophobicContact CB-CG 4.08Å; A73-E77 WeakPolarHBondContact O-CG 3.33Å; A73-E77 PolarHBondContact O-N 3.43Å; M74-E77 PolarHBondContact O-N 3Å; E77-K80 IonicContact OE1-NZ 3.21Å; E77-K80 PolarHBondContact OE1-NZ 3.21Å; E77-Q81 WeakPolarHBondContact O-CG 3.23Å; E77-Q81 PolarHBondContact O-N 3.42Å
78Y93.1Very high92.5Very high2 Ų255.9 Ų55.91%0.00829%0.285CS..Hα-helixtrans-66-41.8175.8-167-97.4000112.2I36 T38 F41 M74 A75 Q81 K82 I84 A89 E92 I93 K96I36-Y78 HydrophobicContact CG2-CD2 4.48Å; I36-Y78 HydrophobicContact CG2-CE2 4.2Å; T38-Y78 HydrophobicContact CG2-CE2 4.18Å; F41-Y78 HydrophobicContact CB-CD2 4.25Å; F41-Y78 AromaticContact CD1-CD2 3.64Å; F41-Y78 HydrophobicContact CD1-CD2 3.64Å; F41-Y78 HydrophobicContact CD1-CE2 4.11Å; F41-Y78 HydrophobicContact CD2-CD2 4.07Å; F41-Y78 AromaticContact CE1-CD2 3.87Å; F41-Y78 HydrophobicContact CE1-CD2 3.87Å; F41-Y78 HydrophobicContact CE2-CD2 4.29Å; F41-Y78 AromaticContact CG-CD2 3.73Å; F41-Y78 HydrophobicContact CG-CD2 3.73Å; F41-Y78 HydrophobicContact CG-CE2 4.38Å; F41-Y78 HydrophobicContact CZ-CD2 4.18Å; M74-Y78 VanDerWaalsContact O-CB 3.29Å; M74-Y78 WeakPolarHBondContact O-CB 3.15Å; M74-Y78 PolarHBondContact O-N 3.48Å; A75-Y78 PolarHBondContact O-N 2.85Å; Y78-Q81 PolarHBondContact O-N 2.99Å; Y78-K82 HydrophobicContact CE1-CD 3.83Å; Y78-K82 WeakPolarHBondContact O-CB 3.17Å; Y78-K82 PolarHBondContact O-N 2.92Å; Y78-I84 HydrophobicContact CD1-CD1 4.03Å; Y78-I84 HydrophobicContact CE1-CD1 3.98Å; Y78-A89 HydrophobicContact CD1-CB 3.77Å; Y78-E92 PolarHBondContact OH-OE1 3.28Å; Y78-I93 HydrophobicContact CD1-CD1 4.24Å; Y78-I93 HydrophobicContact CD1-CG1 4.33Å; Y78-I93 HydrophobicContact CD2-CD1 4.35Å; Y78-I93 HydrophobicContact CD2-CG1 4.45Å; Y78-I93 HydrophobicContact CG-CD1 3.91Å; Y78-I93 HydrophobicContact CG-CG1 4.27Å; Y78-K96 PolarHBondContact OH-NZ 2.99Å
79A92.9Very high92.5Very high8 Ų848.5 Ų48.57%0.06626%0.258CS..Hα-helixtrans-61.6-47.5178.200000112A75 Q81 K82 N83 I84 A89A75-A79 WeakPolarHBondContact O-CB 3.38Å; A75-A79 PolarHBondContact O-N 2.67Å; A79-Q81 PolarHBondContact O-N 2.86Å; A79-K82 PolarHBondContact O-N 3.32Å; A79-N83 WeakPolarHBondContact O-CA 3.3Å; A79-N83 PolarHBondContact O-N 2.98Å; A79-I84 WeakPolarHBondContact CB-O 3.45Å; A79-I84 PolarHBondContact O-N 2.72Å; A79-A89 HydrophobicContact CB-CB 3.95Å
80K90.7Very high92.5Very high128 Ų12849.1 Ų49.156%0.55726%0.262SS*.Hα-helixtrans-55.9-36.1177.1-73.9170.7-167.5171.80112.7E76 E77E76-K80 VanDerWaalsContact O-CG 3.26Å; E76-K80 WeakPolarHBondContact O-CG 3.47Å; E76-K80 PolarHBondContact O-N 3.46Å; E76-K80 VanDerWaalsContact O-N 3.12Å; E77-K80 IonicContact OE1-NZ 3.21Å; E77-K80 PolarHBondContact OE1-NZ 3.21Å
81Q88.8Confident92.4Very high54 Ų5452.9 Ų52.925%0.25228%0.282SS..Hα-helixtrans-92-23.7-171.6-70-178.2-7.700114.1S40 E77 Y78 A79S40-Q81 VanDerWaalsContact O-CD 3.31Å; S40-Q81 PolarHBondContact O-NE2 2.98Å; S40-Q81 VanDerWaalsContact O-NE2 3.14Å; S40-Q81 PolarHBondContact O-OE1 3.37Å; S40-Q81 VanDerWaalsContact O-OE1 3.07Å; S40-Q81 PolarHBondContact OG-O 3.13Å; E77-Q81 WeakPolarHBondContact O-CG 3.23Å; E77-Q81 PolarHBondContact O-N 3.42Å; Y78-Q81 PolarHBondContact O-N 2.99Å; A79-Q81 PolarHBondContact O-N 2.86Å
82K89Confident92.4Very high91 Ų9151.1 Ų51.140%0.39627%0.274SS..Hα-helixtrans-101.8-5.4176.7-161177.1175.2-163.70113.1Y78 A79 I84 E92Y78-K82 HydrophobicContact CE1-CD 3.83Å; Y78-K82 WeakPolarHBondContact O-CB 3.17Å; Y78-K82 PolarHBondContact O-N 2.92Å; A79-K82 PolarHBondContact O-N 3.32Å; K82-I84 VanDerWaalsContact C-N 3.35Å; K82-I84 HydrophobicContact CB-CD1 4.36Å; K82-I84 HydrophobicContact CB-CG1 4.18Å; K82-I84 HydrophobicContact CD-CD1 4.05Å; K82-I84 HydrophobicContact CG-CG2 4.3Å; K82-E92 IonicContact NZ-OE1 3.8Å; K82-E92 PolarHBondContact NZ-OE1 2.85Å; K82-E92 IonicContact NZ-OE2 3.88Å; K82-E92 PolarHBondContact NZ-OE2 3.42Å
83N88.8Confident92.5Very high149 Ų14950 Ų5080%0.79726%0.263SS*.THydrogen-bonded Turntrans57.844.2-176.3-55-68.8000112.7A79A79-N83 WeakPolarHBondContact O-CA 3.3Å; A79-N83 PolarHBondContact O-N 2.98Å
84I92.5Very high92.5Very high49 Ų4951.3 Ų51.325%0.25127%0.266SS..  trans-118.9166.5176.560.7174.5000110.2Y78 A79 K82 D88 A89Y78-I84 HydrophobicContact CD1-CD1 4.03Å; Y78-I84 HydrophobicContact CE1-CD1 3.98Å; A79-I84 WeakPolarHBondContact CB-O 3.45Å; A79-I84 PolarHBondContact O-N 2.72Å; K82-I84 VanDerWaalsContact C-N 3.35Å; K82-I84 HydrophobicContact CB-CD1 4.36Å; K82-I84 HydrophobicContact CB-CG1 4.18Å; K82-I84 HydrophobicContact CD-CD1 4.05Å; K82-I84 HydrophobicContact CG-CG2 4.3Å; I84-D88 HydrophobicContact CD1-CB 4.49Å; I84-A89 HydrophobicContact CD1-CB 3.81Å; I84-A89 HydrophobicContact CG1-CB 4.1Å
85S92.6Very high92.5Very high47 Ų4755.6 Ų55.633%0.32929%0.289SS..  trans-66.9151.4174.777.40000111.1T87 D88 A89S85-T87 PolarHBondContact O-N 3Å; S85-T87 PolarHBondContact OG-OG1 3.39Å; S85-D88 PolarHBondContact O-N 3.45Å; S85-D88 WeakPolarHBondContact OG-CB 3.36Å; S85-D88 PolarHBondContact OG-N 3.49Å; S85-D88 PolarHBondContact OG-OD2 3.35Å; S85-A89 WeakPolarHBondContact O-CB 3.5Å; S85-A89 PolarHBondContact O-N 2.64Å
86T92.4Very high92.5Very high65 Ų6558.2 Ų58.240%0.39930%0.3SS..Hα-helixtrans-58.8-35.6176.5-49.10000111.8A75 E76 A89 S90A75-T86 HydrophobicContact CB-CG2 3.84Å; E76-T86 HydrophobicContact CG-CG2 4.32Å; T86-A89 PolarHBondContact O-N 2.68Å; T86-S90 PolarHBondContact O-N 3.33Å
87T92.5Very high92.5Very high92 Ų9254.7 Ų54.756%0.56428%0.284SS*.Hα-helixtrans-65.3-46.3176.2460000111.4S85 A89 S90 N91S85-T87 PolarHBondContact O-N 3Å; S85-T87 PolarHBondContact OG-OG1 3.39Å; T87-A89 VanDerWaalsContact C-N 3.33Å; T87-A89 PolarHBondContact O-N 3.21Å; T87-S90 PolarHBondContact O-N 3.03Å; T87-S90 PolarHBondContact O-OG 3.3Å; T87-N91 PolarHBondContact O-N 2.93Å; T87-N91 VanDerWaalsContact O-N 3.08Å; T87-N91 PolarHBondContact O-ND2 3.23Å
88D92.8Very high92.5Very high90 Ų9054.7 Ų54.748%0.48129%0.287SS..Hα-helixtrans-66.1-38177.8-61.9-33.3000111.4I84 S85 N91 E92I84-D88 HydrophobicContact CD1-CB 4.49Å; S85-D88 PolarHBondContact O-N 3.45Å; S85-D88 WeakPolarHBondContact OG-CB 3.36Å; S85-D88 PolarHBondContact OG-N 3.49Å; S85-D88 PolarHBondContact OG-OD2 3.35Å; D88-N91 PolarHBondContact O-N 2.98Å; D88-E92 WeakPolarHBondContact O-CB 3.34Å; D88-E92 PolarHBondContact O-N 2.9Å
89A93.5Very high92.4Very high0 Ų061.1 Ų61.10%032%0.322CS..Hα-helixtrans-59-49.3174.900000111.7A75 Y78 A79 I84 S85 T86 T87 N91 E92 I93A75-A89 HydrophobicContact CB-CB 4.19Å; Y78-A89 HydrophobicContact CD1-CB 3.77Å; A79-A89 HydrophobicContact CB-CB 3.95Å; I84-A89 HydrophobicContact CD1-CB 3.81Å; I84-A89 HydrophobicContact CG1-CB 4.1Å; S85-A89 WeakPolarHBondContact O-CB 3.5Å; S85-A89 PolarHBondContact O-N 2.64Å; T86-A89 PolarHBondContact O-N 2.68Å; T87-A89 VanDerWaalsContact C-N 3.33Å; T87-A89 PolarHBondContact O-N 3.21Å; A89-N91 VanDerWaalsContact C-N 3.33Å; A89-N91 PolarHBondContact O-N 2.93Å; A89-E92 PolarHBondContact O-N 3.42Å; A89-I93 WeakPolarHBondContact O-CB 3.24Å; A89-I93 WeakPolarHBondContact O-CD1 3.31Å; A89-I93 VanDerWaalsContact O-CG1 3.25Å; A89-I93 WeakPolarHBondContact O-CG1 3.42Å; A89-I93 PolarHBondContact O-N 3.15Å
90S93.7Very high92.2Very high13 Ų1361.5 Ų61.59%0.09132%0.324CS..Hα-helixtrans-62-40.8178.573.20000112.3T86 T87 I93 K94T86-S90 PolarHBondContact O-N 3.33Å; T87-S90 PolarHBondContact O-N 3.03Å; T87-S90 PolarHBondContact O-OG 3.3Å; S90-I93 PolarHBondContact O-N 3.22Å; S90-K94 WeakPolarHBondContact O-CB 3.47Å; S90-K94 VanDerWaalsContact O-CG 3.27Å; S90-K94 WeakPolarHBondContact O-CG 3.44Å; S90-K94 PolarHBondContact O-N 3.4Å
91N93.9Very high91.9Very high81 Ų8160.8 Ų60.843%0.43334%0.335SS..Hα-helixtrans-66.9-43.1178.1-72.7-26.2000111.2T87 D88 A89 K94 N95T87-N91 PolarHBondContact O-N 2.93Å; T87-N91 VanDerWaalsContact O-N 3.08Å; T87-N91 PolarHBondContact O-ND2 3.23Å; D88-N91 PolarHBondContact O-N 2.98Å; A89-N91 VanDerWaalsContact C-N 3.33Å; A89-N91 PolarHBondContact O-N 2.93Å; N91-K94 PolarHBondContact O-N 3.42Å; N91-N95 VanDerWaalsContact O-CB 3.24Å; N91-N95 WeakPolarHBondContact O-CB 3.33Å; N91-N95 PolarHBondContact O-N 3.46Å; N91-N95 PolarHBondContact O-ND2 3.35Å; N91-N95 PolarHBondContact O-OD1 2.74Å
92E93.9Very high91.8Very high46 Ų4658.4 Ų58.422%0.21533%0.325CS..Hα-helixtrans-63-44.4177-170.3-176.9150.200111.7Y78 K82 D88 A89 N95 K96Y78-E92 PolarHBondContact OH-OE1 3.28Å; K82-E92 IonicContact NZ-OE1 3.8Å; K82-E92 PolarHBondContact NZ-OE1 2.85Å; K82-E92 IonicContact NZ-OE2 3.88Å; K82-E92 PolarHBondContact NZ-OE2 3.42Å; D88-E92 WeakPolarHBondContact O-CB 3.34Å; D88-E92 PolarHBondContact O-N 2.9Å; A89-E92 PolarHBondContact O-N 3.42Å; E92-N95 PolarHBondContact O-N 2.83Å; E92-K96 WeakPolarHBondContact O-CB 3.49Å; E92-K96 WeakPolarHBondContact O-CG 3.46Å; E92-K96 PolarHBondContact O-N 3.42Å; E92-K96 WeakPolarHBondContact OE1-CE 3.34Å; E92-K96 IonicContact OE1-NZ 2.95Å
93I94.2Very high91.9Very high0 Ų056.3 Ų56.30%032%0.321CS..Hα-helixtrans-61.2-49.8176.9-69.2165.1000110.3I36 V70 M74 Y78 A89 S90 N95 K96 I97I36-I93 HydrophobicContact CD1-CG2 4.21Å; I36-I93 HydrophobicContact CG2-CG1 4.26Å; V70-I93 HydrophobicContact CG1-CB 4.19Å; V70-I93 HydrophobicContact CG1-CG2 3.6Å; V70-I93 HydrophobicContact CG2-CG2 4.46Å; M74-I93 HydrophobicContact CE-CD1 4.43Å; M74-I93 HydrophobicContact CE-CG2 4.25Å; M74-I93 HydrophobicContact CG-CD1 4.08Å; M74-I93 HydrophobicContact SD-CD1 4.32Å; M74-I93 HydrophobicContact SD-CG2 4.12Å; Y78-I93 HydrophobicContact CD1-CD1 4.24Å; Y78-I93 HydrophobicContact CD1-CG1 4.33Å; Y78-I93 HydrophobicContact CD2-CD1 4.35Å; Y78-I93 HydrophobicContact CD2-CG1 4.45Å; Y78-I93 HydrophobicContact CG-CD1 3.91Å; Y78-I93 HydrophobicContact CG-CG1 4.27Å; A89-I93 WeakPolarHBondContact O-CB 3.24Å; A89-I93 WeakPolarHBondContact O-CD1 3.31Å; A89-I93 VanDerWaalsContact O-CG1 3.25Å; A89-I93 WeakPolarHBondContact O-CG1 3.42Å; A89-I93 PolarHBondContact O-N 3.15Å; S90-I93 PolarHBondContact O-N 3.22Å; I93-N95 VanDerWaalsContact C-N 3.31Å; I93-N95 PolarHBondContact O-N 3.48Å; I93-K96 PolarHBondContact O-N 2.99Å; I93-I97 HydrophobicContact CG2-CD1 3.78Å; I93-I97 VanDerWaalsContact O-CG1 3.3Å; I93-I97 WeakPolarHBondContact O-CG1 3.29Å; I93-I97 PolarHBondContact O-N 3.21Å
94K94.2Very high92Very high39 Ų3953.2 Ų53.217%0.1730%0.3CS..Hα-helixtrans-60.7-40.3177.7-74173.3-179.4175.80112.3L4 V70 E71 S90 N91 I97 T98L4-K94 HydrophobicContact CD2-CG 4.33Å; V70-K94 HydrophobicContact CG1-CG 3.88Å; E71-K94 WeakPolarHBondContact OE1-CE 3.44Å; E71-K94 IonicContact OE1-NZ 3.59Å; E71-K94 PolarHBondContact OE1-NZ 3.33Å; S90-K94 WeakPolarHBondContact O-CB 3.47Å; S90-K94 VanDerWaalsContact O-CG 3.27Å; S90-K94 WeakPolarHBondContact O-CG 3.44Å; S90-K94 PolarHBondContact O-N 3.4Å; N91-K94 PolarHBondContact O-N 3.42Å; K94-I97 PolarHBondContact O-N 2.74Å; K94-T98 WeakPolarHBondContact O-CB 3.44Å; K94-T98 PolarHBondContact O-N 3.42Å; K94-T98 PolarHBondContact O-OG1 3.24Å
95N93.3Very high91.6Very high93 Ų9355.1 Ų55.150%0.49732%0.318SS..Hα-helixtrans-65.4-41.8177.5-72.2-16.4000111.2N91 E92 I93 I97 T98 N99N91-N95 VanDerWaalsContact O-CB 3.24Å; N91-N95 WeakPolarHBondContact O-CB 3.33Å; N91-N95 PolarHBondContact O-N 3.46Å; N91-N95 PolarHBondContact O-ND2 3.35Å; N91-N95 PolarHBondContact O-OD1 2.74Å; E92-N95 PolarHBondContact O-N 2.83Å; I93-N95 VanDerWaalsContact C-N 3.31Å; I93-N95 PolarHBondContact O-N 3.48Å; N95-I97 VanDerWaalsContact C-N 3.32Å; N95-I97 PolarHBondContact O-N 2.79Å; N95-T98 PolarHBondContact O-N 3.03Å; N95-N99 WeakPolarHBondContact O-CB 3.25Å; N95-N99 VanDerWaalsContact O-CG 3.25Å; N95-N99 PolarHBondContact O-N 3.09Å; N95-N99 PolarHBondContact O-ND2 3.25Å
96K93.9Very high91.1Very high55 Ų5558.2 Ų58.224%0.23933%0.327CS..Hα-helixtrans-61.6-39.8174.5-76.3-178.6178.1-172.40112.4N35 I36 Y78 E92 I93 S100N35-K96 PolarHBondContact O-NZ 2.67Å; N35-K96 VanDerWaalsContact O-NZ 3.09Å; I36-K96 HydrophobicContact CG1-CB 4.46Å; I36-K96 HydrophobicContact CG1-CD 4.38Å; Y78-K96 PolarHBondContact OH-NZ 2.99Å; E92-K96 WeakPolarHBondContact O-CB 3.49Å; E92-K96 WeakPolarHBondContact O-CG 3.46Å; E92-K96 PolarHBondContact O-N 3.42Å; E92-K96 WeakPolarHBondContact OE1-CE 3.34Å; E92-K96 IonicContact OE1-NZ 2.95Å; I93-K96 PolarHBondContact O-N 2.99Å; K96-S100 PolarHBondContact O-N 3.32Å
97I94.2Very high90.4Very high2 Ų259.4 Ų59.41%0.0135%0.352CS..Hα-helixtrans-69.9-48.1177.6-61.4161.8000110.2L4 I7 I30 I36 F66 V70 I93 K94 N95 N99 S100L4-I97 HydrophobicContact CD1-CB 3.9Å; L4-I97 HydrophobicContact CD1-CG2 3.46Å; L4-I97 VanDerWaalsContact CD1-CG2 3.46Å; I7-I97 HydrophobicContact CG2-CG2 3.88Å; I30-I97 HydrophobicContact CG2-CD1 4.07Å; I30-I97 HydrophobicContact CG2-CG1 3.84Å; I30-I97 HydrophobicContact CG2-CG2 4.47Å; I36-I97 HydrophobicContact CD1-CD1 4.19Å; I36-I97 HydrophobicContact CD1-CG1 3.86Å; F66-I97 HydrophobicContact CZ-CD1 3.94Å; V70-I97 HydrophobicContact CG2-CD1 4.47Å; I93-I97 HydrophobicContact CG2-CD1 3.78Å; I93-I97 VanDerWaalsContact O-CG1 3.3Å; I93-I97 WeakPolarHBondContact O-CG1 3.29Å; I93-I97 PolarHBondContact O-N 3.21Å; K94-I97 PolarHBondContact O-N 2.74Å; N95-I97 VanDerWaalsContact C-N 3.32Å; N95-I97 PolarHBondContact O-N 2.79Å; I97-N99 PolarHBondContact O-N 3.21Å; I97-S100 WeakPolarHBondContact O-CB 3.21Å; I97-S100 PolarHBondContact O-N 3.01Å; I97-S100 VanDerWaalsContact O-N 3.12Å; I97-S100 PolarHBondContact O-OG 3.39Å
98T92.4Very high89.9Confident44 Ų4458.4 Ų58.427%0.2735%0.346SS..Hα-helixtrans-67.8-36-175.7-500000112.5D3 I7 K94 N95 S100D3-T98 HydrophobicContact CB-CG2 3.89Å; I7-T98 VanDerWaalsContact CD1-O 3.29Å; I7-T98 WeakPolarHBondContact CD1-O 3.43Å; K94-T98 WeakPolarHBondContact O-CB 3.44Å; K94-T98 PolarHBondContact O-N 3.42Å; K94-T98 PolarHBondContact O-OG1 3.24Å; N95-T98 PolarHBondContact O-N 3.03Å; T98-S100 PolarHBondContact O-N 3.35Å
99N90.8Very high89.4Confident138 Ų13860.6 Ų60.674%0.73836%0.362SS*.THydrogen-bonded Turntrans-81.2-0.5176.4-66.4-30.3000113.2N95 I97N95-N99 WeakPolarHBondContact O-CB 3.25Å; N95-N99 VanDerWaalsContact O-CG 3.25Å; N95-N99 PolarHBondContact O-N 3.09Å; N95-N99 PolarHBondContact O-ND2 3.25Å; I97-N99 PolarHBondContact O-N 3.21Å
100S87.3Confident88.7Confident16 Ų1667.3 Ų67.311%0.11239%0.394CS..SBendtrans-78142.1175.476.90000110.6C34 K96 I97 T98 G102C34-S100 VanDerWaalsContact SG-CB 3.54Å; C34-S100 PolarHBondContact SG-OG 2.66Å; C34-S100 VanDerWaalsContact SG-OG 3.35Å; K96-S100 PolarHBondContact O-N 3.32Å; I97-S100 WeakPolarHBondContact O-CB 3.21Å; I97-S100 PolarHBondContact O-N 3.01Å; I97-S100 VanDerWaalsContact O-N 3.12Å; I97-S100 PolarHBondContact O-OG 3.39Å; T98-S100 PolarHBondContact O-N 3.35Å; S100-G102 PolarHBondContact O-N 3.4Å
101S84.6Confident88.1Confident112 Ų11270.7 Ų70.778%0.78342%0.422SS*.  trans-75.119176.664.10000113.5
102G88.1Confident87.5Confident5 Ų570.3 Ų70.35%0.05243%0.426CS..SBendtrans87.5-171-172.700000114.8S100S100-G102 PolarHBondContact O-N 3.4Å
103P91.2Very high87Confident47 Ų4777.5 Ų77.531%0.30546%0.457SS..  trans-65.3135-17525.3-33.9000112.4D10 F11 A14 K29 D33D10-P103 HydrophobicContact CB-CG 4.48Å; F11-P103 HydrophobicContact CD1-CB 3.83Å; F11-P103 HydrophobicContact CE1-CB 3.86Å; F11-P103 HydrophobicContact CG-CB 4.47Å; A14-P103 HydrophobicContact CB-CB 3.5Å; A14-P103 HydrophobicContact CB-CG 3.52Å; K29-P103 VanDerWaalsContact CE-CB 3.48Å; D33-P103 WeakPolarHBondContact OD2-CA 3.38Å
104K90Very high86.8Confident83 Ų8381.5 Ų81.536%0.36148%0.478SS..  trans-103.5145.8180-65.8173.6-175.6157.80110.8K29 D33K29-K104 PolarHBondContact NZ-O 3.45Å; D33-K104 HydrophobicContact CB-CB 4.48Å; D33-K104 PolarHBondContact O-NZ 2.95Å; D33-K104 PolarHBondContact OD2-N 3.12Å
105S85Confident86.7Confident89 Ų8983.2 Ų83.262%0.62250%0.495SS*.  trans-90.6106173.1-150.20000109.4T108S105-T108 WeakPolarHBondContact CB-OG1 3.48Å; S105-T108 PolarHBondContact OG-OG1 3.38Å
106H82.1Confident86.6Confident113 Ų11380.5 Ų80.552%0.52349%0.486SS..  trans-89.3142.9176.6-66.7-70.9000110.8D33 T108D33-H106 IonicContact OD1-CD2 2.79Å; D33-H106 PolarHBondContact OD1-CD2 2.89Å; D33-H106 IonicContact OD1-CE1 2.64Å; D33-H106 IonicContact OD1-NE2 2.62Å; D33-H106 PolarHBondContact OD1-NE2 3.17Å; H106-T108 PolarHBondContact O-N 3.13Å; H106-T108 VanDerWaalsContact O-N 3.13Å
107G77.7Confident86.4Confident89 Ų8980.5 Ų80.592%0.91849%0.491SS*.SBendtrans66.612.2174.400000115.3
108T81.1Confident86.1Confident72 Ų7283.9 Ų83.944%0.44251%0.514SS..  trans-80.6132.5177.2-48.80000110.5S105 H106 Q110S105-T108 WeakPolarHBondContact CB-OG1 3.48Å; S105-T108 PolarHBondContact OG-OG1 3.38Å; H106-T108 PolarHBondContact O-N 3.13Å; H106-T108 VanDerWaalsContact O-N 3.13Å; T108-Q110 PolarHBondContact O-N 2.65Å; T108-Q110 VanDerWaalsContact O-N 3.09Å; T108-Q110 PolarHBondContact O-NE2 3.09Å
109T81.4Confident86Confident135 Ų13590.6 Ų90.683%0.82854%0.535SS*.  trans-58.9112.9169.8-48.40000108.8
110Q79.8Confident85.9Confident141 Ų14190.3 Ų90.366%0.65953%0.533SS*.PPolyproline II helixtrans-67.9143.8173.1-59.5-58.7-44.100108.7T108 S112T108-Q110 PolarHBondContact O-N 2.65Å; T108-Q110 VanDerWaalsContact O-N 3.09Å; T108-Q110 PolarHBondContact O-NE2 3.09Å; Q110-S112 PolarHBondContact O-N 3.44Å
111A80.3Confident86Confident84 Ų8493.8 Ų93.869%0.69455%0.553SS**PPolyproline II helixtrans-56.1132.7169.600000109.1K113A111-K113 PolarHBondContact O-N 3.42Å
112S81.4Confident86.3Confident73 Ų7392 Ų9251%0.5153%0.534SS..PPolyproline II helixtrans-59123.2176.1177.50000109.1Q110 D114 T117Q110-S112 PolarHBondContact O-N 3.44Å; S112-D114 PolarHBondContact OG-N 3.18Å; S112-T117 PolarHBondContact OG-OG1 3.2Å
113K83.6Confident86.5Confident197 Ų19792.6 Ų92.686%0.85754%0.537SS*.  trans-98.610.3173.5-61.9-176.8-177.6178.80111.9A111A111-K113 PolarHBondContact O-N 3.42Å
114D91.5Very high86.4Confident84 Ų8497.9 Ų97.945%0.44956%0.556SS.*  trans-67.3143.8-179.3175.958.6000111.6S112 A116 T117 S118S112-D114 PolarHBondContact OG-N 3.18Å; D114-A116 VanDerWaalsContact C-N 3.27Å; D114-A116 PolarHBondContact O-N 3.46Å; D114-A116 WeakPolarHBondContact OD2-CA 3.49Å; D114-A116 WeakPolarHBondContact OD2-CB 3.45Å; D114-A116 PolarHBondContact OD2-N 3.31Å; D114-T117 PolarHBondContact O-N 3.38Å; D114-T117 VanDerWaalsContact O-N 3.17Å; D114-S118 PolarHBondContact O-N 2.97Å
115S91Very high86.4Confident75 Ų7596.6 Ų96.652%0.52457%0.565SS.*Hα-helixtrans-62.1-31.3-17770.80000113.3R119S115-R119 WeakPolarHBondContact O-CB 3.17Å; S115-R119 VanDerWaalsContact O-CG 3.32Å; S115-R119 WeakPolarHBondContact O-CG 3.14Å; S115-R119 PolarHBondContact O-N 3.2Å; S115-R119 PolarHBondContact O-NE 3.3Å
116A91.4Very high86.7Confident37 Ų3795.2 Ų95.231%0.30655%0.547SS..Hα-helixtrans-71.7-43.9176.400000110.2D114 R119 L120D114-A116 VanDerWaalsContact C-N 3.27Å; D114-A116 PolarHBondContact O-N 3.46Å; D114-A116 WeakPolarHBondContact OD2-CA 3.49Å; D114-A116 WeakPolarHBondContact OD2-CB 3.45Å; D114-A116 PolarHBondContact OD2-N 3.31Å; A116-R119 PolarHBondContact O-N 3.39Å; A116-L120 WeakPolarHBondContact O-CB 3.42Å; A116-L120 WeakPolarHBondContact O-CG 3.47Å; A116-L120 PolarHBondContact O-N 3.03Å
117T89.4Confident87Confident55 Ų5595.2 Ų95.234%0.33756%0.555SS.*Hα-helixtrans-61.4-48.7177.2-50.40000110.5S112 D114 R119 L120 T121S112-T117 PolarHBondContact OG-OG1 3.2Å; D114-T117 PolarHBondContact O-N 3.38Å; D114-T117 VanDerWaalsContact O-N 3.17Å; T117-R119 VanDerWaalsContact C-N 3.35Å; T117-R119 PolarHBondContact O-N 2.89Å; T117-L120 PolarHBondContact O-N 2.89Å; T117-L120 VanDerWaalsContact O-N 3.14Å; T117-T121 HydrophobicContact CG2-CG2 4.21Å; T117-T121 PolarHBondContact O-N 3.35Å; T117-T121 PolarHBondContact O-OG1 3.26Å
118S88.5Confident87.3Confident73 Ų7393.8 Ų93.851%0.5154%0.54SS..Hα-helixtrans-55-47.3179.3-176.60000112.5D114 T121 D122D114-S118 PolarHBondContact O-N 2.97Å; S118-T121 PolarHBondContact O-N 2.87Å; S118-D122 PolarHBondContact O-N 3.08Å; S118-D122 VanDerWaalsContact O-N 3.15Å
119R89.1Confident87.4Confident184 Ų18494.4 Ų94.469%0.69455%0.548SS*.Hα-helixtrans-65.9-38.6177.4-73.2-177.3-66.1175.81.3113.3S115 A116 T117 T121S115-R119 WeakPolarHBondContact O-CB 3.17Å; S115-R119 VanDerWaalsContact O-CG 3.32Å; S115-R119 WeakPolarHBondContact O-CG 3.14Å; S115-R119 PolarHBondContact O-N 3.2Å; S115-R119 PolarHBondContact O-NE 3.3Å; A116-R119 PolarHBondContact O-N 3.39Å; T117-R119 VanDerWaalsContact C-N 3.35Å; T117-R119 PolarHBondContact O-N 2.89Å; R119-T121 VanDerWaalsContact C-N 3.33Å
120L89.5Confident87.7Confident133 Ų13392.4 Ų92.470%0.69653%0.529SS*.Hα-helixtrans-75.8-22.8-177.7-69.8171000112.8A116 T117 Y126A116-L120 WeakPolarHBondContact O-CB 3.42Å; A116-L120 WeakPolarHBondContact O-CG 3.47Å; A116-L120 PolarHBondContact O-N 3.03Å; T117-L120 PolarHBondContact O-N 2.89Å; T117-L120 VanDerWaalsContact O-N 3.14Å; L120-Y126 PolarHBondContact O-OH 2.84Å
121T88.9Confident88.1Confident88 Ų8891.6 Ų91.654%0.5452%0.523SS..Hα-helixtrans-103.31.3179.560.30000114T117 S118 R119 V123T117-T121 HydrophobicContact CG2-CG2 4.21Å; T117-T121 PolarHBondContact O-N 3.35Å; T117-T121 PolarHBondContact O-OG1 3.26Å; S118-T121 PolarHBondContact O-N 2.87Å; R119-T121 VanDerWaalsContact C-N 3.33Å; T121-V123 PolarHBondContact O-N 3.23Å
122D90.8Very high88.4Confident74 Ų7492.9 Ų92.940%0.39652%0.515SS..  trans-77.6103.3176.4-175.97000110.9S118 K124 G125S118-D122 PolarHBondContact O-N 3.08Å; S118-D122 VanDerWaalsContact O-N 3.15Å; D122-K124 PolarHBondContact O-N 2.93Å; D122-K124 VanDerWaalsContact O-N 3.12Å; D122-K124 WeakPolarHBondContact OD1-CB 3.45Å; D122-K124 WeakPolarHBondContact OD1-CG 3.45Å; D122-K124 PolarHBondContact OD1-N 3.17Å; D122-G125 PolarHBondContact O-N 2.79Å; D122-G125 VanDerWaalsContact O-N 3.09Å
123V92Very high88.8Confident18 Ų1892.9 Ų92.911%0.10950%0.504CS..G310 helixtrans-60.4-21.7179.7-62.20000113.3T121 G125 Y126 F134T121-V123 PolarHBondContact O-N 3.23Å; V123-G125 PolarHBondContact O-N 3.28Å; V123-Y126 HydrophobicContact CB-CD2 4.15Å; V123-Y126 HydrophobicContact CB-CE2 4.21Å; V123-Y126 HydrophobicContact CG1-CD2 4.16Å; V123-Y126 HydrophobicContact CG1-CE2 3.75Å; V123-Y126 WeakPolarHBondContact O-CB 3.26Å; V123-Y126 PolarHBondContact O-N 3.42Å; V123-Y126 VanDerWaalsContact O-N 3.15Å; V123-F134 HydrophobicContact CB-CB 4.17Å; V123-F134 HydrophobicContact CG1-CB 3.86Å; V123-F134 HydrophobicContact CG1-CD1 4.11Å; V123-F134 HydrophobicContact CG1-CG 4.03Å
124K90.8Very high89.2Confident159 Ų15986.3 Ų86.369%0.69148%0.475SS*.G310 helixtrans-68.9-24.2178.7-62.4179.2179.7179.30112.1D122D122-K124 PolarHBondContact O-N 2.93Å; D122-K124 VanDerWaalsContact O-N 3.12Å; D122-K124 WeakPolarHBondContact OD1-CB 3.45Å; D122-K124 WeakPolarHBondContact OD1-CG 3.45Å; D122-K124 PolarHBondContact OD1-N 3.17Å
125G89.6Confident89.1Confident55 Ų5584.8 Ų84.857%0.56747%0.467SS*.G310 helixtrans-84-7.6174.800000114.1D122 V123D122-G125 PolarHBondContact O-N 2.79Å; D122-G125 VanDerWaalsContact O-N 3.09Å; V123-G125 PolarHBondContact O-N 3.28Å
126Y90.9Very high89Confident61 Ų6183.7 Ų83.724%0.23946%0.462CS..  trans-72.4136.6-178.7-66.1-6.1000111.3L120 V123 H130 F134L120-Y126 PolarHBondContact O-OH 2.84Å; V123-Y126 HydrophobicContact CB-CD2 4.15Å; V123-Y126 HydrophobicContact CB-CE2 4.21Å; V123-Y126 HydrophobicContact CG1-CD2 4.16Å; V123-Y126 HydrophobicContact CG1-CE2 3.75Å; V123-Y126 WeakPolarHBondContact O-CB 3.26Å; V123-Y126 PolarHBondContact O-N 3.42Å; V123-Y126 VanDerWaalsContact O-N 3.15Å; Y126-H130 HydrophobicContact CD2-CB 4.34Å; Y126-H130 HydrophobicContact CG-CB 4.28Å; Y126-F134 AromaticContact CD2-CD2 3.69Å; Y126-F134 HydrophobicContact CD2-CD2 3.69Å; Y126-F134 HydrophobicContact CD2-CE2 4.14Å; Y126-F134 HydrophobicContact CD2-CG 4.28Å; Y126-F134 AromaticContact CE2-CD2 3.68Å; Y126-F134 HydrophobicContact CE2-CD2 3.68Å; Y126-F134 AromaticContact CE2-CE2 3.79Å; Y126-F134 HydrophobicContact CE2-CE2 3.79Å; Y126-F134 HydrophobicContact CE2-CG 4.15Å; Y126-F134 HydrophobicContact CE2-CZ 4.35Å
127T88.3Confident88.9Confident112 Ų11290.6 Ų90.669%0.68749%0.488SS*.  trans-123166.8-178.664.30000111.3H130T127-H130 PolarHBondContact O-N 2.99Å
128G84.8Confident89Confident59 Ų5992 Ų9261%0.60850%0.497SS*.THydrogen-bonded Turntrans57.5-139.9-179.900000112.7H130 K131G128-H130 PolarHBondContact O-N 2.89Å; G128-H130 VanDerWaalsContact O-N 3.16Å; G128-K131 WeakPolarHBondContact O-CB 3.32Å; G128-K131 PolarHBondContact O-N 3.14Å; G128-K131 VanDerWaalsContact O-N 3.11Å
129S83.4Confident89Confident86 Ų8690.1 Ų90.160%0.60149%0.489SS*.Hα-helixtrans-63.1-20.1-178.558.80000114.2K131 R133S129-K131 VanDerWaalsContact C-N 3.34Å; S129-R133 WeakPolarHBondContact O-CG 3.36Å
130H86.5Confident89.1Confident92 Ų9288.6 Ų88.643%0.42649%0.487SS..Hα-helixtrans-71-32.3175.9-73.1-94000112.2Y126 T127 G128 E132 R133 F134Y126-H130 HydrophobicContact CD2-CB 4.34Å; Y126-H130 HydrophobicContact CG-CB 4.28Å; T127-H130 PolarHBondContact O-N 2.99Å; G128-H130 PolarHBondContact O-N 2.89Å; G128-H130 VanDerWaalsContact O-N 3.16Å; H130-E132 VanDerWaalsContact C-N 3.28Å; H130-E132 PolarHBondContact O-N 3.1Å; H130-R133 PolarHBondContact O-N 3.39Å; H130-F134 WeakPolarHBondContact O-CD2 3.19Å
131K88.1Confident89.2Confident125 Ų12584.7 Ų84.754%0.54348%0.479SS..Hα-helixtrans-62.3-37.6177.9-170.4-179.6177.5-175.10111.8G128 S129 R133 F134G128-K131 WeakPolarHBondContact O-CB 3.32Å; G128-K131 PolarHBondContact O-N 3.14Å; G128-K131 VanDerWaalsContact O-N 3.11Å; S129-K131 VanDerWaalsContact C-N 3.34Å; K131-R133 VanDerWaalsContact C-N 3.27Å; K131-R133 PolarHBondContact O-N 3.21Å; K131-F134 VanDerWaalsContact O-O 3.1Å
132E86.5Confident89.3Confident111 Ų11184.2 Ų84.252%0.51947%0.47SS..Hα-helixtrans-71.8-23.2-180-58.2-48.1135.100112.9H130 K142 G146H130-E132 VanDerWaalsContact C-N 3.28Å; H130-E132 PolarHBondContact O-N 3.1Å; E132-K142 WeakPolarHBondContact O-CD 3.49Å; E132-G146 CarbonylContact C-O 3.39Å; E132-G146 WeakPolarHBondContact O-CA 3.33Å
133R89.8Confident89.2Confident73 Ų7382.8 Ų82.828%0.27547%0.473SS..Hα-helixtrans-81.1-18.8-175.5-69.9172.264.2-173.4-2.7114.3S129 H130 K131 G141 K142 G146 R147S129-R133 WeakPolarHBondContact O-CG 3.36Å; H130-R133 PolarHBondContact O-N 3.39Å; K131-R133 VanDerWaalsContact C-N 3.27Å; K131-R133 PolarHBondContact O-N 3.21Å; R133-G141 WeakPolarHBondContact O-CA 3.47Å; R133-K142 PolarHBondContact O-N 2.96Å; R133-G146 WeakPolarHBondContact CA-O 3.29Å; R133-G146 WeakPolarHBondContact CG-O 3.38Å; R133-R147 HydrophobicContact CG-CG 4.23Å; R133-R147 VanDerWaalsContact NH2-CZ 3.34Å
134F91.5Very high89Confident58 Ų5889 Ų8925%0.25450%0.504SS..BIsolated β-bridgetrans-126.8145.3-175.6-64.1-90.8000111.1V123 Y126 H130 K131 K140 K142V123-F134 HydrophobicContact CB-CB 4.17Å; V123-F134 HydrophobicContact CG1-CB 3.86Å; V123-F134 HydrophobicContact CG1-CD1 4.11Å; V123-F134 HydrophobicContact CG1-CG 4.03Å; Y126-F134 AromaticContact CD2-CD2 3.69Å; Y126-F134 HydrophobicContact CD2-CD2 3.69Å; Y126-F134 HydrophobicContact CD2-CE2 4.14Å; Y126-F134 HydrophobicContact CD2-CG 4.28Å; Y126-F134 AromaticContact CE2-CD2 3.68Å; Y126-F134 HydrophobicContact CE2-CD2 3.68Å; Y126-F134 AromaticContact CE2-CE2 3.79Å; Y126-F134 HydrophobicContact CE2-CE2 3.79Å; Y126-F134 HydrophobicContact CE2-CG 4.15Å; Y126-F134 HydrophobicContact CE2-CZ 4.35Å; H130-F134 WeakPolarHBondContact O-CD2 3.19Å; K131-F134 VanDerWaalsContact O-O 3.1Å; F134-K140 WeakPolarHBondContact CA-O 3.42Å; F134-K142 WeakPolarHBondContact O-CE 3.48Å
135D90.2Very high88.7Confident53 Ų5388.6 Ų88.628%0.28350%0.504SS..  trans-78.3122169.8-179.4-67000109.1E137 T138 G139 K140 K142D135-E137 VanDerWaalsContact C-N 3.26Å; D135-E137 PolarHBondContact O-N 3.41Å; D135-E137 WeakPolarHBondContact OD1-CA 3.36Å; D135-E137 PolarHBondContact OD1-N 3.09Å; D135-T138 VanDerWaalsContact CB-OG1 3.32Å; D135-T138 WeakPolarHBondContact CB-OG1 3.16Å; D135-T138 VanDerWaalsContact CG-OG1 3.27Å; D135-T138 PolarHBondContact OD1-N 3.12Å; D135-T138 PolarHBondContact OD1-OG1 3.15Å; D135-T138 VanDerWaalsContact OD1-OG1 3.08Å; D135-G139 VanDerWaalsContact O-CA 3.26Å; D135-G139 WeakPolarHBondContact O-CA 3.47Å; D135-G139 PolarHBondContact O-N 3.11Å; D135-K140 PolarHBondContact N-O 3.46Å; D135-K142 HydrophobicContact CB-CG 4.45Å
136A89.8Confident88.5Confident51 Ų5186.4 Ų86.442%0.42148%0.481SS..THydrogen-bonded Turntrans-71.4-18.6-173.300000113.9
137E89.2Confident88.1Confident183 Ų18391.6 Ų91.686%0.85550%0.5SS*.THydrogen-bonded Turntrans-90.9-45.9-179.9-62-170.2168.300111.3D135D135-E137 VanDerWaalsContact C-N 3.26Å; D135-E137 PolarHBondContact O-N 3.41Å; D135-E137 WeakPolarHBondContact OD1-CA 3.36Å; D135-E137 PolarHBondContact OD1-N 3.09Å
138T90Very high87.7Confident84 Ų8492.5 Ų92.552%0.51550%0.497SS..THydrogen-bonded Turntrans-92.3-18.8-175.267.80000113.4D135 K140D135-T138 VanDerWaalsContact CB-OG1 3.32Å; D135-T138 WeakPolarHBondContact CB-OG1 3.16Å; D135-T138 VanDerWaalsContact CG-OG1 3.27Å; D135-T138 PolarHBondContact OD1-N 3.12Å; D135-T138 PolarHBondContact OD1-OG1 3.15Å; D135-T138 VanDerWaalsContact OD1-OG1 3.08Å; T138-K140 PolarHBondContact O-N 2.92Å; T138-K140 PolarHBondContact OG1-N 3.21Å
139G89.8Confident87.1Confident34 Ų3497.8 Ų97.835%0.35150%0.5SS..  trans72.4-0.9-172.400000114.5D135D135-G139 VanDerWaalsContact O-CA 3.26Å; D135-G139 WeakPolarHBondContact O-CA 3.47Å; D135-G139 PolarHBondContact O-N 3.11Å
140K91.5Very high86.3Confident151 Ų15199.2 Ų99.266%0.65751%0.505SS*.  trans-78145.8-177.5-66-176.71791780110.7F134 D135 T138F134-K140 WeakPolarHBondContact CA-O 3.42Å; D135-K140 PolarHBondContact N-O 3.46Å; T138-K140 PolarHBondContact O-N 2.92Å; T138-K140 PolarHBondContact OG1-N 3.21Å
141G91.6Very high85.3Confident51 Ų51100.4 Ų100.453%0.52651%0.512SS..BIsolated β-bridgetrans-69.1135.417100000110.9R133 G143R133-G141 WeakPolarHBondContact O-CA 3.47Å; G141-G143 PolarHBondContact O-N 3.14Å
142K90.5Very high84.2Confident79 Ų7998.4 Ų98.434%0.34351%0.507SS..  trans-75.97.1177.6-60.2-173.1-170.3168.90113.9E132 R133 F134 D135 I144 E145E132-K142 WeakPolarHBondContact O-CD 3.49Å; R133-K142 PolarHBondContact O-N 2.96Å; F134-K142 WeakPolarHBondContact O-CE 3.48Å; D135-K142 HydrophobicContact CB-CG 4.45Å; K142-I144 PolarHBondContact O-N 3.34Å; K142-E145 PolarHBondContact O-N 3.19Å
143G89.3Confident83.3Confident44 Ų44101.2 Ų101.245%0.45452%0.52SS..THydrogen-bonded Turntrans64.7-130.3178.900000113.4G141 R147G141-G143 PolarHBondContact O-N 3.14Å; G143-R147 WeakPolarHBondContact O-CG 3.32Å
144I86.1Confident82Confident148 Ų148101.8 Ų101.876%0.75952%0.524SS*.THydrogen-bonded Turntrans-70-41.8-179.9-65.8170.8000110.5K142 G146 R147 E148K142-I144 PolarHBondContact O-N 3.34Å; I144-G146 VanDerWaalsContact C-N 3.31Å; I144-G146 PolarHBondContact O-N 2.96Å; I144-R147 CarbonylContact O-C 3.49Å; I144-R147 WeakPolarHBondContact O-CA 3.39Å; I144-R147 PolarHBondContact O-N 3.01Å; I144-E148 PolarHBondContact O-N 3.16Å
145E85.3Confident80.6Confident151 Ų151100 Ų10071%0.70652%0.521SS*.G310 helixtrans-55.1-45.5-178.3-173.3-175.7171.500111.7K142 R147 E148K142-E145 PolarHBondContact O-N 3.19Å; E145-R147 PolarHBondContact O-N 3.35Å; E145-E148 PolarHBondContact O-N 3.3Å
146G84.5Confident79.6Confident8 Ų8101.3 Ų101.38%0.08254%0.539CS..G310 helixtrans-74.9-1.3177.200000115.6E132 R133 I144E132-G146 CarbonylContact C-O 3.39Å; E132-G146 WeakPolarHBondContact O-CA 3.33Å; R133-G146 WeakPolarHBondContact CA-O 3.29Å; R133-G146 WeakPolarHBondContact CG-O 3.38Å; I144-G146 VanDerWaalsContact C-N 3.31Å; I144-G146 PolarHBondContact O-N 2.96Å
147R83Confident78.8Confident170 Ų170102 Ų10264%0.64254%0.541SS*.G310 helixtrans-113.2-11.3176.4-66.6177.6-174.6-1109.5112.5R133 G143 I144 E145 Y149R133-R147 HydrophobicContact CG-CG 4.23Å; R133-R147 VanDerWaalsContact NH2-CZ 3.34Å; G143-R147 WeakPolarHBondContact O-CG 3.32Å; I144-R147 CarbonylContact O-C 3.49Å; I144-R147 WeakPolarHBondContact O-CA 3.39Å; I144-R147 PolarHBondContact O-N 3.01Å; E145-R147 PolarHBondContact O-N 3.35Å; R147-Y149 PolarHBondContact O-N 3.31Å
148E81Confident78.1Confident132 Ų13296.6 Ų96.662%0.61753%0.534SS*.SBendtrans-68.8129.4175.8-170.7165.5-164.100108.8I144 E145 V150I144-E148 PolarHBondContact O-N 3.16Å; E145-E148 PolarHBondContact O-N 3.3Å; E148-V150 HydrophobicContact CG-CG2 4.49Å; E148-V150 PolarHBondContact O-N 3.15Å; E148-V150 VanDerWaalsContact O-N 3.1Å
149Y71.9Confident77.3Confident170 Ų17096.5 Ų96.567%0.66753%0.525SS*.  trans-76.5100.5173.4-169.9-72000107.5R147 M151R147-Y149 PolarHBondContact O-N 3.31Å; Y149-M151 HydrophobicContact CD1-CE 3.5Å; Y149-M151 HydrophobicContact CD1-CG 4.01Å; Y149-M151 HydrophobicContact CD1-SD 4.13Å; Y149-M151 HydrophobicContact CE1-CB 4.29Å; Y149-M151 HydrophobicContact CE1-CE 3.03Å; Y149-M151 HydrophobicContact CE1-CG 3.63Å; Y149-M151 HydrophobicContact CE1-SD 3.29Å; Y149-M151 WeakPolarHBondContact CE1-SD 3.5Å
150V66.3Low76.5Confident116 Ų116100.9 Ų100.970%0.70354%0.544SS*.  trans-91.4114168.1-173.70000107.3E148 D152E148-V150 HydrophobicContact CG-CG2 4.49Å; E148-V150 PolarHBondContact O-N 3.15Å; E148-V150 VanDerWaalsContact O-N 3.1Å; V150-D152 PolarHBondContact O-N 3.2Å; V150-D152 VanDerWaalsContact O-N 3.14Å
151M64.6Low75.3Confident117 Ų11796.5 Ų96.558%0.57654%0.543SS*.  trans-62114.3172-67.3-84158.900108.1Y149 A155Y149-M151 HydrophobicContact CD1-CE 3.5Å; Y149-M151 HydrophobicContact CD1-CG 4.01Å; Y149-M151 HydrophobicContact CD1-SD 4.13Å; Y149-M151 HydrophobicContact CE1-CB 4.29Å; Y149-M151 HydrophobicContact CE1-CE 3.03Å; Y149-M151 HydrophobicContact CE1-CG 3.63Å; Y149-M151 HydrophobicContact CE1-SD 3.29Å; Y149-M151 WeakPolarHBondContact CE1-SD 3.5Å; M151-A155 HydrophobicContact SD-CB 4.39Å
152D66.2Low74.2Confident82 Ų8297.2 Ų97.244%0.43955%0.55SS..  trans-58.6146.3167.9-177-0.9000108.6V150 K154 A155 A156V150-D152 PolarHBondContact O-N 3.2Å; V150-D152 VanDerWaalsContact O-N 3.14Å; D152-K154 PolarHBondContact O-N 3.06Å; D152-K154 PolarHBondContact OD1-N 3.47Å; D152-A155 HydrophobicContact CB-CB 4.44Å; D152-A155 CarbonylContact O-C 3.55Å; D152-A155 WeakPolarHBondContact O-CA 3.46Å; D152-A155 WeakPolarHBondContact O-CB 3.21Å; D152-A155 PolarHBondContact O-N 3.37Å; D152-A156 PolarHBondContact O-N 3.39Å
153E66.9Low73.6Confident170 Ų17098.4 Ų98.479%0.79455%0.553SS**Hα-helixtrans-52.4-33.2177.1-65.5-176.8168.600111.5A156 S157E153-A156 WeakPolarHBondContact O-CB 3.33Å; E153-A156 PolarHBondContact O-N 3.35Å; E153-S157 PolarHBondContact O-N 3.34Å; E153-S157 PolarHBondContact O-OG 3.11Å
154K62.2Low73.1Confident85 Ų85105.5 Ų105.537%0.3757%0.571SS.*Hα-helixtrans-65.5-41173.5-67-179.1-179.5179.40112.6D152 S157 G158 Y159D152-K154 PolarHBondContact O-N 3.06Å; D152-K154 PolarHBondContact OD1-N 3.47Å; K154-S157 WeakPolarHBondContact CA-OG 3.44Å; K154-S157 CarbonylContact O-C 3.6Å; K154-S157 PolarHBondContact O-N 2.8Å; K154-S157 PolarHBondContact O-OG 2.73Å; K154-G158 PolarHBondContact O-N 3.4Å; K154-Y159 PolarHBondContact O-N 3.02Å
155A63.7Low72.9Confident22 Ų2299.3 Ų99.318%0.18254%0.544CS..Hα-helixtrans-67-37.6173.800000111.9M151 D152 S157 G158 Y159M151-A155 HydrophobicContact SD-CB 4.39Å; D152-A155 HydrophobicContact CB-CB 4.44Å; D152-A155 CarbonylContact O-C 3.55Å; D152-A155 WeakPolarHBondContact O-CA 3.46Å; D152-A155 WeakPolarHBondContact O-CB 3.21Å; D152-A155 PolarHBondContact O-N 3.37Å; A155-S157 PolarHBondContact O-N 2.98Å; A155-G158 PolarHBondContact O-N 3.23Å; A155-Y159 WeakPolarHBondContact CA-O 3.33Å
156A67.8Low72.4Confident80 Ų8095.8 Ų95.866%0.66153%0.526SS*.Hα-helixtrans-61-3417200000112.2D152 E153 G158D152-A156 PolarHBondContact O-N 3.39Å; E153-A156 WeakPolarHBondContact O-CB 3.33Å; E153-A156 PolarHBondContact O-N 3.35Å; A156-G158 PolarHBondContact O-N 2.89Å
157S72.9Confident72.1Confident65 Ų65101.4 Ų101.446%0.45556%0.555SS.*THydrogen-bonded Turntrans-80.16.2172.964.50000115.2E153 K154 A155 Y159E153-S157 PolarHBondContact O-N 3.34Å; E153-S157 PolarHBondContact O-OG 3.11Å; K154-S157 WeakPolarHBondContact CA-OG 3.44Å; K154-S157 CarbonylContact O-C 3.6Å; K154-S157 PolarHBondContact O-N 2.8Å; K154-S157 PolarHBondContact O-OG 2.73Å; A155-S157 PolarHBondContact O-N 2.98Å; S157-Y159 VanDerWaalsContact OG-CD2 3.32Å; S157-Y159 WeakPolarHBondContact OG-CD2 3.32Å
158G74.8Confident72.1Confident70 Ų7098.3 Ų98.372%0.72255%0.554SS**THydrogen-bonded Turntrans913.9175.600000115.8K154 A155 A156K154-G158 PolarHBondContact O-N 3.4Å; A155-G158 PolarHBondContact O-N 3.23Å; A156-G158 PolarHBondContact O-N 2.89Å
159Y72.9Confident72Confident82 Ų82100.3 Ų100.332%0.32256%0.557SS.*PPolyproline II helixtrans-90.3145.2176.7-63.5-76.3000112K154 A155 S157 Y163 K166K154-Y159 PolarHBondContact O-N 3.02Å; A155-Y159 WeakPolarHBondContact CA-O 3.33Å; S157-Y159 VanDerWaalsContact OG-CD2 3.32Å; S157-Y159 WeakPolarHBondContact OG-CD2 3.32Å; Y159-Y163 AromaticContact CD1-CD1 3.21Å; Y159-Y163 HydrophobicContact CD1-CD1 3.21Å; Y159-Y163 AromaticContact CD1-CE1 3.38Å; Y159-Y163 HydrophobicContact CD1-CE1 3.38Å; Y159-Y163 HydrophobicContact CD1-CG 4.01Å; Y159-Y163 AromaticContact CE1-CD1 3.73Å; Y159-Y163 HydrophobicContact CE1-CD1 3.73Å; Y159-Y163 AromaticContact CE1-CE1 3.39Å; Y159-Y163 HydrophobicContact CE1-CE1 3.39Å; Y159-Y163 AromaticContact CG-CD1 3.76Å; Y159-Y163 HydrophobicContact CG-CD1 3.76Å; Y159-Y163 HydrophobicContact CG-CE1 4.3Å; Y159-K166 HydrophobicContact CD2-CD 4.1Å; Y159-K166 HydrophobicContact CD2-CG 4.21Å; Y159-K166 HydrophobicContact CE2-CB 4.4Å; Y159-K166 HydrophobicContact CE2-CD 3.91Å; Y159-K166 HydrophobicContact CE2-CG 3.7Å
160V73.2Confident72.4Confident125 Ų12596 Ų9676%0.75855%0.546SS*.PPolyproline II helixtrans-65.4140.5173.5-178.10000110.3G162 Y163V160-G162 PolarHBondContact O-N 2.98Å; V160-G162 VanDerWaalsContact O-N 3.11Å; V160-Y163 WeakPolarHBondContact O-CB 3.37Å; V160-Y163 PolarHBondContact O-N 3.04Å
161G66.6Low73Confident60 Ų6099.3 Ų99.362%0.61955%0.551SS**THydrogen-bonded Turntrans-53.4116.5174.700000111.3
162G69.1Low73.6Confident66 Ų6699.3 Ų99.368%0.6856%0.558SS**THydrogen-bonded Turntrans107.4-5.4-17500000115.6V160 K164V160-G162 PolarHBondContact O-N 2.98Å; V160-G162 VanDerWaalsContact O-N 3.11Å; G162-K164 PolarHBondContact O-N 3.35Å
163Y76.8Confident73.3Confident104 Ų104105.3 Ų105.341%0.40858%0.583SS.*  trans-65126.9174.6-173.8-110.3000111.8Y159 V160 G165 K166Y159-Y163 AromaticContact CD1-CD1 3.21Å; Y159-Y163 HydrophobicContact CD1-CD1 3.21Å; Y159-Y163 AromaticContact CD1-CE1 3.38Å; Y159-Y163 HydrophobicContact CD1-CE1 3.38Å; Y159-Y163 HydrophobicContact CD1-CG 4.01Å; Y159-Y163 AromaticContact CE1-CD1 3.73Å; Y159-Y163 HydrophobicContact CE1-CD1 3.73Å; Y159-Y163 AromaticContact CE1-CE1 3.39Å; Y159-Y163 HydrophobicContact CE1-CE1 3.39Å; Y159-Y163 AromaticContact CG-CD1 3.76Å; Y159-Y163 HydrophobicContact CG-CD1 3.76Å; Y159-Y163 HydrophobicContact CG-CE1 4.3Å; V160-Y163 WeakPolarHBondContact O-CB 3.37Å; V160-Y163 PolarHBondContact O-N 3.04Å; Y163-G165 WeakPolarHBondContact CE1-O 3.36Å; Y163-G165 PolarHBondContact OH-O 3.38Å; Y163-K166 HydrophobicContact CD1-CB 4.34Å; Y163-K166 HydrophobicContact CE1-CB 4.43Å
164K80.4Confident73.7Confident193 Ų193102.1 Ų102.184%0.83957%0.572SS**  trans-106.6-11-177.7-63.1-175.9-178.21800114.2G162 K166G162-K164 PolarHBondContact O-N 3.35Å; K164-K166 PolarHBondContact O-N 3.27Å
165G81.5Confident74.3Confident18 Ų18102.9 Ų102.919%0.18658%0.583CS.*  trans-86.617.5-17900000114.2Y163 D167 T168Y163-G165 WeakPolarHBondContact CE1-O 3.36Å; Y163-G165 PolarHBondContact OH-O 3.38Å; G165-D167 PolarHBondContact O-N 3.35Å; G165-T168 WeakPolarHBondContact CA-OG1 3.45Å; G165-T168 PolarHBondContact O-N 2.95Å; G165-T168 PolarHBondContact O-OG1 3.26Å
166K73.7Confident74.9Confident77 Ų77107.4 Ų107.434%0.33561%0.605SS.*THydrogen-bonded Turntrans-64.2128.1176.9-172179171.5-74.20107.3Y159 Y163 K164 T168Y159-K166 HydrophobicContact CD2-CD 4.1Å; Y159-K166 HydrophobicContact CD2-CG 4.21Å; Y159-K166 HydrophobicContact CE2-CB 4.4Å; Y159-K166 HydrophobicContact CE2-CD 3.91Å; Y159-K166 HydrophobicContact CE2-CG 3.7Å; Y163-K166 HydrophobicContact CD1-CB 4.34Å; Y163-K166 HydrophobicContact CE1-CB 4.43Å; K164-K166 PolarHBondContact O-N 3.27Å; K166-T168 PolarHBondContact O-N 3.31Å
167D78.7Confident75.3Confident126 Ų126109.1 Ų109.167%0.67460%0.602SS**THydrogen-bonded Turntrans67.314.3-179.6-48.6-46.5000115.5G165G165-D167 PolarHBondContact O-N 3.35Å
168T82.2Confident75.4Confident104 Ų104111.8 Ų111.864%0.63861%0.611SS**  trans-91.4-4.6176.465.20000114.2G165 K166G165-T168 WeakPolarHBondContact CA-OG1 3.45Å; G165-T168 PolarHBondContact O-N 2.95Å; G165-T168 PolarHBondContact O-OG1 3.26Å; K166-T168 PolarHBondContact O-N 3.31Å
169Y79.3Confident75.5Confident174 Ų174114.6 Ų114.668%0.68260%0.603SS**SBendtrans-80.1120177-178.5-101.4000110.3K171Y169-K171 HydrophobicContact CD1-CG 4.45Å; Y169-K171 PolarHBondContact O-N 3.34Å
170D80.9Confident75.7Confident80 Ų80116.9 Ų116.943%0.42862%0.624SS.*  trans-72.2114.8173.6-175.9-3.7000110.1T172 H173D170-T172 VanDerWaalsContact CG-OG1 3.26Å; D170-T172 PolarHBondContact O-N 3.22Å; D170-T172 WeakPolarHBondContact OD1-CB 3.45Å; D170-T172 PolarHBondContact OD1-N 2.66Å; D170-T172 PolarHBondContact OD1-OG1 3.25Å; D170-T172 PolarHBondContact OD2-OG1 3.02Å; D170-H173 IonicContact OD2-CE1 2.67Å; D170-H173 PolarHBondContact OD2-CE1 3.36Å; D170-H173 IonicContact OD2-ND1 2.68Å
171K78.4Confident75.8Confident186 Ų186116.3 Ų116.381%0.80961%0.613SS**THydrogen-bonded Turntrans-76.33.1-176.7-61.5-177.8-178.41770113.8Y169Y169-K171 HydrophobicContact CD1-CG 4.45Å; Y169-K171 PolarHBondContact O-N 3.34Å
172T78.4Confident76.6Confident117 Ų117121 Ų12172%0.71861%0.613SS**THydrogen-bonded Turntrans-10215.2-173.164.30000115.1D170D170-T172 VanDerWaalsContact CG-OG1 3.26Å; D170-T172 PolarHBondContact O-N 3.22Å; D170-T172 WeakPolarHBondContact OD1-CB 3.45Å; D170-T172 PolarHBondContact OD1-N 2.66Å; D170-T172 PolarHBondContact OD1-OG1 3.25Å; D170-T172 PolarHBondContact OD2-OG1 3.02Å
173H60Low77.3Confident207 Ų207126 Ų12696%0.95861%0.607SS**  trans-96.70172.1-63.580.5000112.2D170D170-H173 IonicContact OD2-CE1 2.67Å; D170-H173 PolarHBondContact OD2-CE1 3.36Å; D170-H173 IonicContact OD2-ND1 2.68Å

Retrieved 173 of 173 residues in 337.4 ms (Link to these results)

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