A0A087XFD4_POEFO Loading...

small monomeric GTPase

AlphaFold DB (A0A3B3TYR9), UniProt , Accession A0A087XFD4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 207 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
1M47.6Very low82.5Confident244 Ų24484.9 Ų84.9100%1.20244%0.436SS*.  0124.10-78.3176.1177.900108K3M1-K3 PolarHBondContact O-N 3.27Å
2A52.1Low83.5Confident92 Ų9277.8 Ų77.876%0.7640%0.4SS*.  trans-60.1135.6178.300000110T4A2-T4 PolarHBondContact O-N 2.8Å; A2-T4 VanDerWaalsContact O-N 3.14Å
3K60.7Low84.4Confident184 Ų18471.8 Ų71.880%0.837%0.369SS*.  trans-59.6119.2174.1-80.9-175.6175.3-179.20108.1M1 Y5M1-K3 PolarHBondContact O-N 3.27Å; K3-Y5 PolarHBondContact O-N 3.4Å
4T84.4Confident85Confident85 Ų8566.7 Ų66.752%0.52134%0.343SS..SBendtrans-822.5-17850.80000113.3A2 R56A2-T4 PolarHBondContact O-N 2.8Å; A2-T4 VanDerWaalsContact O-N 3.14Å; T4-R56 PolarHBondContact O-NE 2.7Å; T4-R56 PolarHBondContact O-NH1 3.44Å; T4-R56 PolarHBondContact O-NH2 2.85Å
5Y89.9Confident85.5Confident70 Ų7062.3 Ų62.328%0.27532%0.32SS..  trans-152.1151.9179.860.2-90.5000110K3 Y7 L8 K58K3-Y5 PolarHBondContact O-N 3.4Å; Y5-Y7 VanDerWaalsContact CD2-O 3.26Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.39Å; Y5-L8 HydrophobicContact CD2-CB 4.42Å; Y5-L8 HydrophobicContact CE2-CB 3.82Å; Y5-K58 HydrophobicContact CD1-CB 4.32Å; Y5-K58 HydrophobicContact CD1-CD 4.22Å; Y5-K58 HydrophobicContact CD2-CB 4.24Å; Y5-K58 HydrophobicContact CE1-CD 4.22Å; Y5-K58 HydrophobicContact CG-CB 3.97Å
6D93.1Very high85.9Confident89 Ų8959.8 Ų59.848%0.47631%0.307SS..SBendtrans-84.1-42.8177.3-61.1-69.2000111.3K55 R56D6-K55 HydrophobicContact CB-CB 4.34Å; D6-K55 HydrophobicContact CB-CD 4.34Å; D6-K55 WeakPolarHBondContact OD2-CA 3.07Å; D6-R56 PolarHBondContact N-O 3.44Å; D6-R56 PolarHBondContact OD2-N 3.49Å
7Y95.6Very high86.1Confident70 Ų7058.7 Ų58.728%0.27531%0.307SS..EExtended strand (participates in β ladder)trans-130.8150.5-176.5-60.2-85.4000112.3Y5 F9 K55 R56 V57 K58 L170 L173Y5-Y7 VanDerWaalsContact CD2-O 3.26Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.39Å; Y7-F9 HydrophobicContact CD1-CE1 4.17Å; Y7-F9 HydrophobicContact CD1-CZ 4.46Å; Y7-F9 HydrophobicContact CG-CE1 4.11Å; Y7-F9 HydrophobicContact CG-CZ 4.17Å; Y7-K55 HydrophobicContact CD2-CB 4.12Å; Y7-K55 HydrophobicContact CD2-CG 4.47Å; Y7-K55 HydrophobicContact CE2-CB 4.06Å; Y7-K55 HydrophobicContact CE2-CD 4.1Å; Y7-K55 HydrophobicContact CE2-CG 3.9Å; Y7-R56 PolarHBondContact N-O 3.44Å; Y7-V57 HydrophobicContact CD2-CG2 4.37Å; Y7-K58 PolarHBondContact O-N 3.38Å; Y7-L170 HydrophobicContact CD1-CD1 4.32Å; Y7-L170 HydrophobicContact CD2-CD1 3.88Å; Y7-L170 HydrophobicContact CE1-CD1 4.04Å; Y7-L170 HydrophobicContact CE2-CD1 3.59Å; Y7-L170 HydrophobicContact CG-CD1 4.24Å; Y7-L173 HydrophobicContact CD1-CD1 4.48Å
8L95.5Very high86.3Confident65 Ų6557.1 Ų57.134%0.3431%0.306SS..EExtended strand (participates in β ladder)trans-121.8115.4172.8-178.772.2000108.2Y5 K58 Q60Y5-L8 HydrophobicContact CD2-CB 4.42Å; Y5-L8 HydrophobicContact CE2-CB 3.82Å; L8-K58 CarbonylContact C-O 3.58Å; L8-K58 WeakPolarHBondContact CA-O 3.24Å; L8-K58 HydrophobicContact CD1-CB 3.85Å; L8-K58 HydrophobicContact CD1-CD 3.72Å; L8-K58 HydrophobicContact CD1-CG 3.67Å; L8-Q60 HydrophobicContact CD1-CG 3.77Å
9F96.9Very high86.7Confident1 Ų154.1 Ų54.10%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-111.4132.2177.9-59.4-20.8000111.1Y7 V57 K58 L59 Q60 M82 A166 I169 L170 L173Y7-F9 HydrophobicContact CD1-CE1 4.17Å; Y7-F9 HydrophobicContact CD1-CZ 4.46Å; Y7-F9 HydrophobicContact CG-CE1 4.11Å; Y7-F9 HydrophobicContact CG-CZ 4.17Å; F9-V57 HydrophobicContact CB-CG1 4.48Å; F9-V57 HydrophobicContact CD1-CG1 4.46Å; F9-V57 HydrophobicContact CD2-CG1 3.31Å; F9-V57 HydrophobicContact CE2-CG1 3.47Å; F9-V57 VanDerWaalsContact CE2-CG1 3.47Å; F9-V57 HydrophobicContact CE2-CG2 4.27Å; F9-V57 HydrophobicContact CG-CG1 3.84Å; F9-V57 HydrophobicContact CZ-CG1 4.11Å; F9-K58 PolarHBondContact N-O 3.44Å; F9-L59 HydrophobicContact CB-CD2 3.88Å; F9-L59 HydrophobicContact CD2-CD2 3.99Å; F9-L59 HydrophobicContact CG-CD2 4.39Å; F9-Q60 PolarHBondContact O-N 3Å; F9-M82 HydrophobicContact CB-SD 4.35Å; F9-M82 HydrophobicContact CD1-CE 3.59Å; F9-M82 HydrophobicContact CD1-SD 3.94Å; F9-M82 HydrophobicContact CE1-CE 4Å; F9-A166 HydrophobicContact CD2-CB 4.22Å; F9-A166 HydrophobicContact CE2-CB 4.44Å; F9-A166 VanDerWaalsContact CE2-O 3.29Å; F9-A166 WeakPolarHBondContact CE2-O 3.34Å; F9-I169 HydrophobicContact CD1-CG2 3.75Å; F9-I169 HydrophobicContact CD2-CB 4.2Å; F9-I169 HydrophobicContact CD2-CD1 4.41Å; F9-I169 HydrophobicContact CD2-CG2 3.94Å; F9-I169 HydrophobicContact CE1-CG2 3.75Å; F9-I169 HydrophobicContact CE2-CB 4.14Å; F9-I169 HydrophobicContact CE2-CG2 3.93Å; F9-I169 HydrophobicContact CG-CG2 3.88Å; F9-I169 HydrophobicContact CZ-CB 4.44Å; F9-I169 HydrophobicContact CZ-CG2 3.85Å; F9-L170 HydrophobicContact CE2-CB 4.21Å; F9-L170 HydrophobicContact CZ-CB 4.01Å; F9-L170 HydrophobicContact CZ-CD1 4.17Å; F9-L173 HydrophobicContact CD1-CD1 4.36Å; F9-L173 HydrophobicContact CE1-CD1 3.46Å; F9-L173 VanDerWaalsContact CE1-CD1 3.46Å; F9-L173 HydrophobicContact CZ-CD1 4.02Å
10K95.6Very high87.1Confident34 Ų3452 Ų5215%0.14828%0.282CS..EExtended strand (participates in β ladder)trans-96.1115.5173.2-177.8174.2166-167.20109.5Q60 Y77 R79 M82 G83K10-Q60 CarbonylContact C-O 3.51Å; K10-Q60 WeakPolarHBondContact CA-O 3.47Å; K10-Y77 WeakPolarHBondContact CE-O 3.31Å; K10-Y77 PolarHBondContact NZ-O 2.85Å; K10-Y77 VanDerWaalsContact NZ-O 3.09Å; K10-R79 PolarHBondContact NZ-O 2.99Å; K10-M82 PolarHBondContact O-N 3.49Å; K10-G83 PolarHBondContact O-N 3.09Å
11L96.5Very high87.4Confident0 Ų049.9 Ų49.90%027%0.27CS..EExtended strand (participates in β ladder)trans-108.7143.5176.8-58.4-175.5000110.6L59 Q60 I61 W62 G83 F162 I165 I169L11-L59 HydrophobicContact CD1-CD1 4.2Å; L11-L59 HydrophobicContact CD1-CD2 4.19Å; L11-Q60 PolarHBondContact N-O 3.28Å; L11-I61 HydrophobicContact CB-CG1 4.31Å; L11-I61 HydrophobicContact CB-CG2 4.41Å; L11-I61 HydrophobicContact CD1-CG1 4.33Å; L11-W62 PolarHBondContact O-N 3.42Å; L11-G83 CarbonylContact C-O 3.54Å; L11-G83 VanDerWaalsContact CA-O 3.31Å; L11-G83 WeakPolarHBondContact CA-O 3.46Å; L11-F162 HydrophobicContact CD1-CD1 4Å; L11-I165 HydrophobicContact CD1-CG2 4.15Å; L11-I165 HydrophobicContact CD2-CG2 4.27Å; L11-I169 HydrophobicContact CD2-CD1 3.51Å
12L94.7Very high89.6Confident0 Ų039.7 Ų39.70%022%0.221CC..EExtended strand (participates in β ladder)trans-124128.6176.7-17567.8000110.1I14 W62 T64 Y78 A81 G83 I84 M85L12-I14 HydrophobicContact CD2-CG2 3.74Å; L12-I14 HydrophobicContact CG-CG2 3.74Å; L12-W62 HydrophobicContact CD1-CB 3.62Å; L12-T64 HydrophobicContact CD1-CG2 3.56Å; L12-T64 HydrophobicContact CG-CG2 4.44Å; L12-Y78 HydrophobicContact CD2-CD1 4.13Å; L12-Y78 HydrophobicContact CD2-CE1 4.21Å; L12-Y78 HydrophobicContact CD2-CG 4.44Å; L12-A81 HydrophobicContact CB-CB 4.44Å; L12-G83 PolarHBondContact N-O 3.47Å; L12-I84 HydrophobicContact CB-CG1 4.22Å; L12-I84 WeakPolarHBondContact O-CA 3.39Å; L12-M85 PolarHBondContact O-N 3.17Å
13L94.4Very high91.5Very high0 Ų037.2 Ų37.20%020%0.198CC..EExtended strand (participates in β ladder)trans-96.3120.9171.4-56.7-178.5000109.1K21 L25 I61 W62 T64 M85 F162L13-K21 HydrophobicContact CB-CB 4.23Å; L13-K21 HydrophobicContact CB-CD 4.36Å; L13-K21 HydrophobicContact CD1-CB 4.46Å; L13-L25 HydrophobicContact CD1-CB 4.01Å; L13-I61 HydrophobicContact CD1-CG2 4.15Å; L13-I61 HydrophobicContact CG-CG2 4.03Å; L13-W62 PolarHBondContact N-O 2.84Å; L13-T64 PolarHBondContact O-OG1 3.44Å; L13-M85 HydrophobicContact CD2-CB 3.7Å; L13-M85 HydrophobicContact CD2-CG 4.03Å; L13-M85 HydrophobicContact CD2-SD 3.68Å; L13-F162 HydrophobicContact CD1-CZ 4.39Å; L13-F162 HydrophobicContact CD2-CE1 4.18Å; L13-F162 HydrophobicContact CD2-CZ 4.2Å
14I93Very high93.2Very high0 Ų028.5 Ų28.50%016%0.16CC..EExtended strand (participates in β ladder)trans-126.8159.9176.469.7173.1000111.4L12 K21 I73 Y78 I84 M85 L86 V87 W102 I106L12-I14 HydrophobicContact CD2-CG2 3.74Å; L12-I14 HydrophobicContact CG-CG2 3.74Å; I14-K21 VanDerWaalsContact C-CD 3.43Å; I14-I73 HydrophobicContact CG2-CD1 4.01Å; I14-Y78 HydrophobicContact CD1-CE1 4.48Å; I14-I84 HydrophobicContact CD1-CG2 3.77Å; I14-I84 HydrophobicContact CG1-CG2 3.88Å; I14-I84 HydrophobicContact CG2-CG2 4.41Å; I14-M85 PolarHBondContact N-O 3.11Å; I14-L86 HydrophobicContact CD1-CD2 4.1Å; I14-L86 HydrophobicContact CD1-CG 3.97Å; I14-L86 HydrophobicContact CG1-CB 4.37Å; I14-L86 HydrophobicContact CG1-CD2 4.49Å; I14-L86 HydrophobicContact CG1-CG 3.95Å; I14-V87 PolarHBondContact O-N 2.79Å; I14-W102 HydrophobicContact CB-CE3 4.2Å; I14-W102 HydrophobicContact CB-CZ3 4.45Å; I14-W102 HydrophobicContact CD1-CB 3.97Å; I14-W102 HydrophobicContact CD1-CD2 4.38Å; I14-W102 HydrophobicContact CD1-CE3 3.96Å; I14-W102 HydrophobicContact CD1-CG 4.44Å; I14-W102 HydrophobicContact CG1-CE3 4.43Å; I14-I106 HydrophobicContact CD1-CD1 3.76Å; I14-I106 HydrophobicContact CD1-CG1 3.89Å
15G92.9Very high93.7Very high0 Ų024.4 Ų24.40%014%0.135CC..  trans143.5170.3-175.900000111.7K21 V87G15-K21 PolarHBondContact O-NZ 3.42Å; G15-V87 WeakPolarHBondContact CA-O 3.2Å
16D91.4Very high93.8Very high22 Ų2224.2 Ų24.212%0.11814%0.136CC..  trans-62.6165.6-175.9-77.116.9000113.3V19 K21 N98 W102D16-V19 HydrophobicContact CB-CG1 3.75Å; D16-V19 WeakPolarHBondContact O-CG2 3.32Å; D16-K21 PolarHBondContact O-NZ 2.84Å; D16-N98 PolarHBondContact OD2-ND2 3.32Å; D16-W102 PolarHBondContact OD1-NE1 2.78Å
17S88.8Confident93.8Very high42 Ų4222 Ų2229%0.29412%0.121SC..THydrogen-bonded Turntrans-61.1141.1171.3-166.10000110.5V19 G66S17-V19 PolarHBondContact O-N 3.33Å; S17-G66 WeakPolarHBondContact CB-O 3.4Å; S17-G66 PolarHBondContact N-O 3.24Å
18G90.4Very high93.8Very high29 Ų2918.9 Ų18.930%0.29911%0.109SC..THydrogen-bonded Turntrans78-3.5174.700000116.3G20 K122G18-G20 PolarHBondContact O-N 3.35Å; G18-K122 WeakPolarHBondContact O-CE 3.48Å; G18-K122 PolarHBondContact O-NZ 3.47Å
19V94.8Very high93.5Very high1 Ų117.4 Ų17.41%0.00610%0.104CC..SBendtrans-70.4-16.6179.1-56.10000113.7D16 S17 K21 V87 D89 N121D16-V19 HydrophobicContact CB-CG1 3.75Å; D16-V19 WeakPolarHBondContact O-CG2 3.32Å; S17-V19 PolarHBondContact O-N 3.33Å; V19-K21 HydrophobicContact CG2-CD 4.33Å; V19-K21 HydrophobicContact CG2-CG 3.7Å; V19-V87 HydrophobicContact CB-CG1 4.32Å; V19-V87 HydrophobicContact CG2-CB 3.93Å; V19-V87 HydrophobicContact CG2-CG1 3.88Å; V19-V87 WeakPolarHBondContact CG2-O 3.41Å; V19-D89 HydrophobicContact CB-CB 4.29Å; V19-D89 HydrophobicContact CG1-CB 4.26Å; V19-N121 PolarHBondContact O-ND2 3.34Å
20G94Very high93Very high11 Ų1122.2 Ų22.211%0.11313%0.126CC..SBendtrans10025.3173.300000116G18 C23 L24G18-G20 PolarHBondContact O-N 3.35Å; G20-C23 WeakPolarHBondContact O-CB 3.46Å; G20-C23 PolarHBondContact O-N 3.49Å; G20-L24 WeakPolarHBondContact O-CG 3.48Å; G20-L24 PolarHBondContact O-N 3.43Å
21K94.3Very high92.4Very high8 Ų826.4 Ų26.44%0.03515%0.15CC..Hα-helixtrans-54.3-52.8174.9-57-175.4-62.2-76.10112.6L13 I14 G15 D16 V19 C23 L24 L25 D63 T64 V87L13-K21 HydrophobicContact CB-CB 4.23Å; L13-K21 HydrophobicContact CB-CD 4.36Å; L13-K21 HydrophobicContact CD1-CB 4.46Å; I14-K21 VanDerWaalsContact C-CD 3.43Å; G15-K21 PolarHBondContact O-NZ 3.42Å; D16-K21 PolarHBondContact O-NZ 2.84Å; V19-K21 HydrophobicContact CG2-CD 4.33Å; V19-K21 HydrophobicContact CG2-CG 3.7Å; K21-C23 VanDerWaalsContact C-N 3.3Å; K21-C23 PolarHBondContact O-N 3.02Å; K21-L24 WeakPolarHBondContact O-CB 3.17Å; K21-L24 PolarHBondContact O-N 2.78Å; K21-L24 VanDerWaalsContact O-N 3.13Å; K21-L25 PolarHBondContact O-N 3.49Å; K21-D63 WeakPolarHBondContact CB-OD1 3.47Å; K21-T64 WeakPolarHBondContact CE-O 3.44Å; K21-V87 HydrophobicContact CG-CB 3.98Å; K21-V87 HydrophobicContact CG-CG2 4.01Å
22T91.9Very high91.5Very high30 Ų3029 Ų2918%0.18417%0.169CC..Hα-helixtrans-58.7-41.2176.2-460000111.9L25 F26 T40 D63T22-L25 PolarHBondContact O-N 2.99Å; T22-F26 HydrophobicContact CG2-CD2 3.69Å; T22-F26 HydrophobicContact CG2-CE2 3.46Å; T22-F26 VanDerWaalsContact CG2-CE2 3.46Å; T22-F26 VanDerWaalsContact O-CD2 3.22Å; T22-F26 WeakPolarHBondContact O-CD2 3.31Å; T22-F26 PolarHBondContact O-N 3.35Å; T22-T40 PolarHBondContact OG1-OG1 3.05Å; T22-D63 WeakPolarHBondContact CA-OD2 3.1Å; T22-D63 VanDerWaalsContact CB-OD2 3.25Å; T22-D63 WeakPolarHBondContact CB-OD2 3.28Å; T22-D63 PolarHBondContact N-OD1 3.42Å; T22-D63 PolarHBondContact OG1-OD2 3.37Å
23C93.6Very high90.6Very high40 Ų4032.3 Ų32.327%0.2718%0.183SC..Hα-helixtrans-65.1-40.1176.6-56.70000112.1G20 K21 L25 R27 F33 A152G20-C23 WeakPolarHBondContact O-CB 3.46Å; G20-C23 PolarHBondContact O-N 3.49Å; K21-C23 VanDerWaalsContact C-N 3.3Å; K21-C23 PolarHBondContact O-N 3.02Å; C23-L25 VanDerWaalsContact C-N 3.35Å; C23-R27 WeakPolarHBondContact O-CB 3.5Å; C23-R27 PolarHBondContact O-N 3.3Å; C23-F33 HydrophobicContact CB-CD2 4.35Å; C23-F33 HydrophobicContact CB-CE2 4.15Å; C23-A152 HydrophobicContact CB-CB 3.58Å
24L95.6Very high89.6Confident1 Ų136.9 Ų36.91%0.00521%0.208CC..Hα-helixtrans-63.1-42.6173.8-72.7169000111G20 K21 R27 F28 V87 L119 N121 A152 V158G20-L24 WeakPolarHBondContact O-CG 3.48Å; G20-L24 PolarHBondContact O-N 3.43Å; K21-L24 WeakPolarHBondContact O-CB 3.17Å; K21-L24 PolarHBondContact O-N 2.78Å; K21-L24 VanDerWaalsContact O-N 3.13Å; L24-R27 PolarHBondContact O-N 3.32Å; L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.3Å; L24-F28 PolarHBondContact O-N 2.91Å; L24-V87 HydrophobicContact CD1-CG1 3.81Å; L24-V87 HydrophobicContact CD1-CG2 4.08Å; L24-L119 HydrophobicContact CD1-CD1 3.98Å; L24-N121 HydrophobicContact CD1-CB 4.3Å; L24-A152 HydrophobicContact CD2-CB 3.95Å; L24-A152 HydrophobicContact CG-CB 4.17Å; L24-V158 HydrophobicContact CD2-CG1 4.23Å; L24-V158 HydrophobicContact CD2-CG2 3.68Å
25L94.1Very high88.3Confident0 Ų042.7 Ų42.70%024%0.243CC..Hα-helixtrans-62.4-46.6177.4-179.557.5000112.2L13 K21 T22 C23 F28 S29 K46 I61 D63L13-L25 HydrophobicContact CD1-CB 4.01Å; K21-L25 PolarHBondContact O-N 3.49Å; T22-L25 PolarHBondContact O-N 2.99Å; C23-L25 VanDerWaalsContact C-N 3.35Å; L25-F28 PolarHBondContact O-N 3.44Å; L25-S29 VanDerWaalsContact O-CB 3.28Å; L25-S29 WeakPolarHBondContact O-CB 3.39Å; L25-S29 PolarHBondContact O-N 3.21Å; L25-S29 PolarHBondContact O-OG 2.69Å; L25-K46 HydrophobicContact CD1-CB 4.02Å; L25-K46 HydrophobicContact CD1-CG 4.35Å; L25-K46 HydrophobicContact CD2-CB 4.11Å; L25-K46 HydrophobicContact CD2-CG 3.81Å; L25-K46 HydrophobicContact CG-CB 4.28Å; L25-K46 HydrophobicContact CG-CG 4.07Å; L25-I61 HydrophobicContact CD1-CB 3.76Å; L25-I61 HydrophobicContact CD1-CD1 3.77Å; L25-I61 HydrophobicContact CD1-CG1 4.38Å; L25-I61 HydrophobicContact CD1-CG2 3.61Å; L25-D63 HydrophobicContact CD2-CB 3.61Å
26F92.1Very high87.2Confident66 Ų6647 Ų4729%0.28927%0.27SS..Hα-helixtrans-66.1-43.9177.4-81.3-60.6000112T22 F28 S29 E30T22-F26 HydrophobicContact CG2-CD2 3.69Å; T22-F26 HydrophobicContact CG2-CE2 3.46Å; T22-F26 VanDerWaalsContact CG2-CE2 3.46Å; T22-F26 VanDerWaalsContact O-CD2 3.22Å; T22-F26 WeakPolarHBondContact O-CD2 3.31Å; T22-F26 PolarHBondContact O-N 3.35Å; F26-F28 VanDerWaalsContact C-N 3.26Å; F26-F28 PolarHBondContact O-N 3.46Å; F26-S29 PolarHBondContact O-N 2.99Å; F26-E30 PolarHBondContact O-N 3.31Å
27R94.4Very high85.8Confident43 Ų4352.3 Ų52.316%0.16229%0.292CS..Hα-helixtrans-58.4-42175.4176.556.770.8-176.55.2110.9C23 L24 D31 S32 A152 K153 V158C23-R27 WeakPolarHBondContact O-CB 3.5Å; C23-R27 PolarHBondContact O-N 3.3Å; L24-R27 PolarHBondContact O-N 3.32Å; R27-D31 WeakPolarHBondContact CD-OD1 3.29Å; R27-D31 IonicContact CZ-OD1 2.91Å; R27-D31 PolarHBondContact NH1-O 3.49Å; R27-D31 IonicContact NH1-OD1 2.69Å; R27-D31 PolarHBondContact NH1-OD1 3.33Å; R27-D31 VanDerWaalsContact O-CA 3.3Å; R27-D31 WeakPolarHBondContact O-CA 3.48Å; R27-D31 PolarHBondContact O-N 3.18Å; R27-S32 WeakPolarHBondContact CA-O 3.49Å; R27-S32 PolarHBondContact N-O 2.88Å; R27-A152 PolarHBondContact NE-O 3.03Å; R27-K153 PolarHBondContact NH2-O 3.26Å; R27-V158 HydrophobicContact CB-CG1 4.18Å; R27-V158 HydrophobicContact CG-CB 4.07Å; R27-V158 HydrophobicContact CG-CG1 3.89Å; R27-V158 HydrophobicContact CG-CG2 3.94Å
28F94.6Very high84.9Confident3 Ų356.3 Ų56.31%0.01331%0.309CS..Hα-helixtrans-70.8-37.3176.5-179.4-110.3000113.3L24 L25 F26 R48 I50 L59 I61 V158 E159 F162 Y163L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.3Å; L24-F28 PolarHBondContact O-N 2.91Å; L25-F28 PolarHBondContact O-N 3.44Å; F26-F28 VanDerWaalsContact C-N 3.26Å; F26-F28 PolarHBondContact O-N 3.46Å; F28-R48 HydrophobicContact CE1-CB 4.03Å; F28-R48 VanDerWaalsContact CE1-CD 3.4Å; F28-R48 HydrophobicContact CE1-CG 4.24Å; F28-R48 WeakPolarHBondContact O-CD 3.46Å; F28-R48 PolarHBondContact O-NE 3.06Å; F28-R48 PolarHBondContact O-NH1 3.35Å; F28-I50 HydrophobicContact CZ-CG2 4.02Å; F28-L59 HydrophobicContact CE1-CD1 3.99Å; F28-L59 HydrophobicContact CZ-CD1 3.9Å; F28-I61 HydrophobicContact CD1-CD1 3.68Å; F28-I61 HydrophobicContact CE1-CD1 3.64Å; F28-V158 HydrophobicContact CB-CG1 3.98Å; F28-E159 HydrophobicContact CD2-CG 4.3Å; F28-F162 HydrophobicContact CB-CD2 3.69Å; F28-F162 HydrophobicContact CB-CE2 3.51Å; F28-F162 HydrophobicContact CB-CZ 4.21Å; F28-F162 HydrophobicContact CD1-CB 4.46Å; F28-F162 HydrophobicContact CD1-CD1 4.12Å; F28-F162 AromaticContact CD1-CD2 3.89Å; F28-F162 HydrophobicContact CD1-CD2 3.89Å; F28-F162 HydrophobicContact CD1-CE1 4.34Å; F28-F162 HydrophobicContact CD1-CE2 4.14Å; F28-F162 AromaticContact CD1-CG 3.9Å; F28-F162 HydrophobicContact CD1-CG 3.9Å; F28-F162 HydrophobicContact CD1-CZ 4.35Å; F28-F162 HydrophobicContact CD2-CB 3.82Å; F28-F162 AromaticContact CD2-CD2 3.37Å; F28-F162 HydrophobicContact CD2-CD2 3.37Å; F28-F162 HydrophobicContact CD2-CE2 4.13Å; F28-F162 AromaticContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CE1-CB 4.07Å; F28-F162 HydrophobicContact CE1-CD1 4.11Å; F28-F162 HydrophobicContact CE1-CD2 4.35Å; F28-F162 AromaticContact CE1-CG 3.93Å; F28-F162 HydrophobicContact CE1-CG 3.93Å; F28-F162 HydrophobicContact CE2-CB 3.38Å; F28-F162 AromaticContact CE2-CD2 3.91Å; F28-F162 HydrophobicContact CE2-CD2 3.91Å; F28-F162 AromaticContact CE2-CG 3.79Å; F28-F162 HydrophobicContact CE2-CG 3.79Å; F28-F162 HydrophobicContact CG-CB 4.34Å; F28-F162 HydrophobicContact CG-CD1 4.41Å; F28-F162 AromaticContact CG-CD2 3.36Å; F28-F162 HydrophobicContact CG-CD2 3.36Å; F28-F162 AromaticContact CG-CE2 3.67Å; F28-F162 HydrophobicContact CG-CE2 3.67Å; F28-F162 AromaticContact CG-CG 3.79Å; F28-F162 HydrophobicContact CG-CG 3.79Å; F28-F162 HydrophobicContact CG-CZ 4.31Å; F28-F162 HydrophobicContact CZ-CB 3.52Å; F28-F162 HydrophobicContact CZ-CD1 4.42Å; F28-F162 HydrophobicContact CZ-CD2 4.36Å; F28-F162 AromaticContact CZ-CG 3.88Å; F28-F162 HydrophobicContact CZ-CG 3.88Å; F28-Y163 HydrophobicContact CE2-CD2 4.34Å; F28-Y163 HydrophobicContact CE2-CE2 4.22Å
29S88.8Confident83.9Confident35 Ų3557.3 Ų57.325%0.24531%0.311CS..Hα-helixtrans-89.3-31.3-170.7-55.70000113.6L25 F26L25-S29 VanDerWaalsContact O-CB 3.28Å; L25-S29 WeakPolarHBondContact O-CB 3.39Å; L25-S29 PolarHBondContact O-N 3.21Å; L25-S29 PolarHBondContact O-OG 2.69Å; F26-S29 PolarHBondContact O-N 2.99Å
30E86.6Confident82.4Confident101 Ų10159 Ų5947%0.47232%0.322SS..Hα-helixtrans-1300.2-167.3-62176.3-162.300112.7F26 S32 K46F26-E30 PolarHBondContact O-N 3.31Å; E30-S32 PolarHBondContact O-N 3.23Å; E30-S32 VanDerWaalsContact O-N 3.11Å; E30-K46 IonicContact OE1-NZ 2.75Å; E30-K46 PolarHBondContact OE1-NZ 3.23Å
31D84.3Confident81.1Confident122 Ų12266.2 Ų66.265%0.65236%0.356SS*.SBendtrans46.536.6-170.6-16423.6000113.7R27R27-D31 WeakPolarHBondContact CD-OD1 3.29Å; R27-D31 IonicContact CZ-OD1 2.91Å; R27-D31 PolarHBondContact NH1-O 3.49Å; R27-D31 IonicContact NH1-OD1 2.69Å; R27-D31 PolarHBondContact NH1-OD1 3.33Å; R27-D31 VanDerWaalsContact O-CA 3.3Å; R27-D31 WeakPolarHBondContact O-CA 3.48Å; R27-D31 PolarHBondContact O-N 3.18Å
32S77.1Confident80Confident56 Ų5667.7 Ų67.739%0.39237%0.374SS..  trans-121149.5-175.8-177.50000111R27 E30R27-S32 WeakPolarHBondContact CA-O 3.49Å; R27-S32 PolarHBondContact N-O 2.88Å; E30-S32 PolarHBondContact O-N 3.23Å; E30-S32 VanDerWaalsContact O-N 3.11Å
33F75.3Confident79.2Confident68 Ų6868.9 Ų68.930%0.29838%0.378SS..  trans-135.2122.8173.1178.3-99000110.1C23 T35 A152 K153C23-F33 HydrophobicContact CB-CD2 4.35Å; C23-F33 HydrophobicContact CB-CE2 4.15Å; F33-T35 HydrophobicContact CD1-CG2 4.27Å; F33-T35 HydrophobicContact CE1-CG2 3.71Å; F33-A152 HydrophobicContact CD2-CB 4.28Å; F33-A152 WeakPolarHBondContact CD2-O 3.48Å; F33-A152 HydrophobicContact CE2-CB 4.28Å; F33-K153 HydrophobicContact CD1-CB 4.5Å; F33-K153 HydrophobicContact CD1-CG 4.22Å; F33-K153 HydrophobicContact CD2-CB 4.46Å; F33-K153 HydrophobicContact CE1-CB 4.13Å; F33-K153 HydrophobicContact CE1-CG 3.86Å; F33-K153 HydrophobicContact CE2-CB 4.09Å; F33-K153 HydrophobicContact CZ-CB 3.92Å; F33-K153 HydrophobicContact CZ-CG 4.13Å
34N72.7Confident78.8Confident97 Ų9769.8 Ų69.852%0.51938%0.38SS..  trans-104.6127.1173.2-165.1-27.7000109.5T36N34-T36 VanDerWaalsContact C-N 3.26Å; N34-T36 VanDerWaalsContact OD1-CB 3.24Å; N34-T36 WeakPolarHBondContact OD1-CB 3.26Å; N34-T36 PolarHBondContact OD1-N 2.76Å; N34-T36 PolarHBondContact OD1-OG1 3.41Å
35T66.5Low78.3Confident121 Ų12173 Ų7374%0.74240%0.395SS*.  trans-74.1-17.9176.446.30000113.1F33 F37F33-T35 HydrophobicContact CD1-CG2 4.27Å; F33-T35 HydrophobicContact CE1-CG2 3.71Å; T35-F37 PolarHBondContact O-N 2.83Å
36T69.6Low78.1Confident90 Ų9075.8 Ų75.855%0.55241%0.407SS*.SBendtrans-73111.2-179.3-45.80000109N34 I38N34-T36 VanDerWaalsContact C-N 3.26Å; N34-T36 VanDerWaalsContact OD1-CB 3.24Å; N34-T36 WeakPolarHBondContact OD1-CB 3.26Å; N34-T36 PolarHBondContact OD1-N 2.76Å; N34-T36 PolarHBondContact OD1-OG1 3.41Å; T36-I38 HydrophobicContact CG2-CG1 4.12Å; T36-I38 PolarHBondContact O-N 2.57Å
37F62.8Low78.2Confident135 Ų13576.5 Ų76.559%0.59241%0.412SS*.  trans-70.1100173.5-178.6-105.4000109.6T35 S39T35-F37 PolarHBondContact O-N 2.83Å; F37-S39 VanDerWaalsContact CE1-OG 3.27Å; F37-S39 WeakPolarHBondContact CE1-OG 3.36Å
38I69.3Low78.2Confident126 Ų12677.4 Ų77.465%0.64642%0.416SS*.PPolyproline II helixtrans-100.6118.4168.6-56.5176.2000106.4T36 T40T36-I38 HydrophobicContact CG2-CG1 4.12Å; T36-I38 PolarHBondContact O-N 2.57Å; I38-T40 PolarHBondContact O-N 2.67Å
39S69.6Low78.2Confident49 Ų4980.2 Ų80.234%0.34343%0.433SS..PPolyproline II helixtrans-64.4125.2174.7-68.50000109.5F37 I41F37-S39 VanDerWaalsContact CE1-OG 3.27Å; F37-S39 WeakPolarHBondContact CE1-OG 3.36Å; S39-I41 PolarHBondContact O-N 2.67Å
40T63.8Low78.5Confident37 Ų3778.9 Ų78.923%0.22742%0.423CS..PPolyproline II helixtrans-62.5119.9173.3-43.60000109.1T22 I38 A65T22-T40 PolarHBondContact OG1-OG1 3.05Å; I38-T40 PolarHBondContact O-N 2.67Å; T40-A65 WeakPolarHBondContact O-CB 3.36Å
41I66.4Low78.9Confident162 Ų16280.7 Ų80.783%0.83143%0.432SS*.  trans-93.5114.1172.7-59.4176.3000106.8S39S39-I41 PolarHBondContact O-N 2.67Å
42G70.1Confident79.4Confident40 Ų4075 Ų7541%0.41240%0.401SS..SBendtrans78.5-129.7-179.200000113.1A65G42-A65 WeakPolarHBondContact O-CB 3.43Å; G42-A65 PolarHBondContact O-N 3.14Å
43I76.7Confident80Confident55 Ų5577.4 Ų77.428%0.28241%0.41SS..EExtended strand (participates in β ladder)trans-133.5130.4-174.8-69.6167.2000108.6W62 D63 T64 Y77I43-W62 HydrophobicContact CG2-CE3 3.72Å; I43-W62 HydrophobicContact CG2-CZ3 4.38Å; I43-D63 CarbonylContact C-O 3.54Å; I43-D63 VanDerWaalsContact CA-O 3.28Å; I43-D63 WeakPolarHBondContact CA-O 3.43Å; I43-D63 WeakPolarHBondContact CG2-O 3.5Å; I43-T64 HydrophobicContact CG1-CG2 4.31Å; I43-Y77 HydrophobicContact CD1-CD1 3.99Å; I43-Y77 HydrophobicContact CD1-CD2 3.43Å; I43-Y77 VanDerWaalsContact CD1-CD2 3.43Å; I43-Y77 HydrophobicContact CD1-CE1 3.67Å; I43-Y77 HydrophobicContact CD1-CE2 3.08Å; I43-Y77 HydrophobicContact CD1-CG 3.88Å; I43-Y77 HydrophobicContact CG2-CE1 4.31Å
44D83.4Confident80.8Confident58 Ų5876.9 Ų76.931%0.3142%0.424SS..EExtended strand (participates in β ladder)trans-101.3153.2173-165.614.5000110.3D63D44-D63 HydrophobicContact CB-CB 4.35Å; D44-D63 PolarHBondContact N-O 3.37Å; D44-D63 PolarHBondContact O-N 2.81Å
45F86.1Confident81.8Confident70 Ų7076.4 Ų76.431%0.30742%0.417SS..EExtended strand (participates in β ladder)trans-137124.7-174.1173.4-99.7000110.7I47 Q60 I61 W62F45-I47 HydrophobicContact CD1-CG1 4.4Å; F45-I47 HydrophobicContact CE1-CD1 3.59Å; F45-I47 HydrophobicContact CE1-CG1 3.41Å; F45-I47 VanDerWaalsContact CE1-CG1 3.41Å; F45-I47 HydrophobicContact CE2-CG1 4.45Å; F45-I47 HydrophobicContact CZ-CD1 3.69Å; F45-I47 HydrophobicContact CZ-CG1 3.45Å; F45-I47 VanDerWaalsContact CZ-CG1 3.45Å; F45-Q60 HydrophobicContact CE2-CB 3.75Å; F45-Q60 HydrophobicContact CE2-CG 3.94Å; F45-Q60 HydrophobicContact CZ-CB 4.12Å; F45-Q60 HydrophobicContact CZ-CG 3.78Å; F45-I61 WeakPolarHBondContact CA-O 3.27Å; F45-W62 HydrophobicContact CB-CE3 4.41Å; F45-W62 HydrophobicContact CB-CZ3 4.49Å; F45-W62 AromaticContact CD2-CD2 3.75Å; F45-W62 HydrophobicContact CD2-CD2 3.75Å; F45-W62 AromaticContact CD2-CE2 3.59Å; F45-W62 HydrophobicContact CD2-CE3 4.05Å; F45-W62 HydrophobicContact CD2-CG 4.25Å; F45-W62 HydrophobicContact CD2-CH2 4.15Å; F45-W62 AromaticContact CD2-CZ2 3.83Å; F45-W62 HydrophobicContact CD2-CZ2 3.83Å; F45-W62 HydrophobicContact CD2-CZ3 4.23Å; F45-W62 AromaticContact CD2-NE1 3.92Å; F45-W62 HydrophobicContact CE2-CD2 4.36Å; F45-W62 AromaticContact CE2-CE2 3.75Å; F45-W62 AromaticContact CE2-CZ2 3.85Å; F45-W62 HydrophobicContact CE2-CZ2 3.85Å; F45-W62 AromaticContact CE2-NE1 3.79Å
46K90.8Very high83.2Confident58 Ų5876.9 Ų76.925%0.25241%0.405SS..EExtended strand (participates in β ladder)trans-126.7148.6175.7-70-70.7-168.4164.30111.2L25 E30 I61L25-K46 HydrophobicContact CD1-CB 4.02Å; L25-K46 HydrophobicContact CD1-CG 4.35Å; L25-K46 HydrophobicContact CD2-CB 4.11Å; L25-K46 HydrophobicContact CD2-CG 3.81Å; L25-K46 HydrophobicContact CG-CB 4.28Å; L25-K46 HydrophobicContact CG-CG 4.07Å; E30-K46 IonicContact OE1-NZ 2.75Å; E30-K46 PolarHBondContact OE1-NZ 3.23Å; K46-I61 PolarHBondContact N-O 3.31Å; K46-I61 PolarHBondContact O-N 2.82Å
47I93.4Very high84.5Confident80 Ų8072.6 Ų72.641%0.4138%0.379SS..EExtended strand (participates in β ladder)trans-117.3124.8173.5-58.9-177.3000108.6F45 K58 L59 Q60F45-I47 HydrophobicContact CD1-CG1 4.4Å; F45-I47 HydrophobicContact CE1-CD1 3.59Å; F45-I47 HydrophobicContact CE1-CG1 3.41Å; F45-I47 VanDerWaalsContact CE1-CG1 3.41Å; F45-I47 HydrophobicContact CE2-CG1 4.45Å; F45-I47 HydrophobicContact CZ-CD1 3.69Å; F45-I47 HydrophobicContact CZ-CG1 3.45Å; F45-I47 VanDerWaalsContact CZ-CG1 3.45Å; I47-K58 HydrophobicContact CG2-CD 3.73Å; I47-K58 HydrophobicContact CG2-CG 3.54Å; I47-L59 VanDerWaalsContact CA-O 3.27Å; I47-L59 WeakPolarHBondContact CA-O 3.43Å; I47-Q60 HydrophobicContact CD1-CG 4.5Å; I47-Q60 HydrophobicContact CG1-CG 4.29Å
48R93.8Very high86.1Confident63 Ų6368.7 Ų68.724%0.23836%0.362CS..EExtended strand (participates in β ladder)trans-126132.2168.5-168.2179.5-179.9-162.1-7.4108.5F28 I50 L59 E159F28-R48 HydrophobicContact CE1-CB 4.03Å; F28-R48 VanDerWaalsContact CE1-CD 3.4Å; F28-R48 HydrophobicContact CE1-CG 4.24Å; F28-R48 WeakPolarHBondContact O-CD 3.46Å; F28-R48 PolarHBondContact O-NE 3.06Å; F28-R48 PolarHBondContact O-NH1 3.35Å; R48-I50 HydrophobicContact CG-CG2 4.27Å; R48-L59 PolarHBondContact N-O 2.61Å; R48-L59 VanDerWaalsContact N-O 3.09Å; R48-L59 WeakPolarHBondContact O-CA 3.32Å; R48-L59 WeakPolarHBondContact O-CB 3.25Å; R48-L59 PolarHBondContact O-N 2.93Å; R48-E159 IonicContact CZ-OE1 2.78Å; R48-E159 IonicContact NH1-OE1 3.83Å; R48-E159 PolarHBondContact NH1-OE1 3.28Å; R48-E159 IonicContact NH2-OE1 2.79Å; R48-E159 PolarHBondContact NH2-OE1 2.83Å
49T94.8Very high87.4Confident61 Ų6162.7 Ų62.737%0.37433%0.331SS..EExtended strand (participates in β ladder)trans-96.4125.6170.5-54.60000107.9V57T49-V57 CarbonylContact C-O 3.47Å; T49-V57 WeakPolarHBondContact CA-O 3.22Å
50I95.2Very high88.6Confident7 Ų762.7 Ų62.74%0.03633%0.326CS..EExtended strand (participates in β ladder)trans-114.8159.6176.563.4167.9000109.8F28 R48 L52 V57 L59 Y163 A166F28-I50 HydrophobicContact CZ-CG2 4.02Å; R48-I50 HydrophobicContact CG-CG2 4.27Å; I50-L52 HydrophobicContact CD1-CB 4.48Å; I50-V57 HydrophobicContact CG1-CB 4.06Å; I50-V57 PolarHBondContact N-O 3.24Å; I50-V57 PolarHBondContact O-N 3.4Å; I50-L59 HydrophobicContact CD1-CD1 3.79Å; I50-L59 HydrophobicContact CD1-CG 4.24Å; I50-L59 HydrophobicContact CG1-CD1 4.16Å; I50-L59 HydrophobicContact CG1-CG 4.22Å; I50-L59 HydrophobicContact CG2-CD1 4.32Å; I50-Y163 HydrophobicContact CB-CE1 4.2Å; I50-Y163 HydrophobicContact CD1-CD1 4.1Å; I50-Y163 HydrophobicContact CD1-CE1 4.04Å; I50-Y163 HydrophobicContact CD1-CG 4.37Å; I50-Y163 HydrophobicContact CG2-CE2 4.19Å; I50-A166 HydrophobicContact CD1-CB 4.1Å
51E94.9Very high90.1Very high139 Ų13960.9 Ų60.965%0.6532%0.315SS*.EExtended strand (participates in β ladder)trans-102.5122.2168.8-169.4173.5166.600108.4K55 Y163E51-K55 WeakPolarHBondContact CA-O 3.49Å; E51-Y163 WeakPolarHBondContact O-CE1 3.22Å
52L94.3Very high91.3Very high3 Ų356 Ų562%0.01629%0.286CS..EExtended strand (participates in β ladder)trans-133.7114.3-174.8-172.571.2000108.3I50 G54 K55 V57 Y163 A166 R167 L170I50-L52 HydrophobicContact CD1-CB 4.48Å; L52-G54 VanDerWaalsContact C-N 3.25Å; L52-G54 PolarHBondContact O-N 3.04Å; L52-K55 PolarHBondContact N-O 3.16Å; L52-K55 WeakPolarHBondContact O-CA 3.19Å; L52-K55 WeakPolarHBondContact O-CB 3.33Å; L52-K55 PolarHBondContact O-N 3.36Å; L52-V57 HydrophobicContact CB-CG2 3.99Å; L52-V57 HydrophobicContact CD2-CG2 4.33Å; L52-Y163 HydrophobicContact CD1-CD1 3.82Å; L52-A166 HydrophobicContact CD2-CB 3.86Å; L52-R167 HydrophobicContact CD1-CB 4.3Å; L52-R167 HydrophobicContact CD2-CB 4.28Å; L52-L170 HydrophobicContact CD2-CB 4.46Å; L52-L170 HydrophobicContact CD2-CD2 4.1Å; L52-L170 HydrophobicContact CG-CD2 4.41Å
53D90.9Very high92.3Very high106 Ų10654.1 Ų54.157%0.56727%0.266SS*.THydrogen-bonded Turntrans51.842.2179.6-52.2-30.4000113.2K55 R167D53-K55 PolarHBondContact O-N 2.99Å; D53-R167 IonicContact OD2-NE 3.96Å
54G91.1Very high92.6Very high58 Ų5851.6 Ų51.660%0.59825%0.253SS*.THydrogen-bonded Turntrans739.1-177.800000114.7L52L52-G54 VanDerWaalsContact C-N 3.25Å; L52-G54 PolarHBondContact O-N 3.04Å
55K94Very high92.2Very high87 Ų8749.3 Ų49.338%0.37824%0.243SC..EExtended strand (participates in β ladder)trans-108.4137.6174.9-57.5-63-173.5-1760110.6D6 Y7 E51 L52 D53 V57D6-K55 HydrophobicContact CB-CB 4.34Å; D6-K55 HydrophobicContact CB-CD 4.34Å; D6-K55 WeakPolarHBondContact OD2-CA 3.07Å; Y7-K55 HydrophobicContact CD2-CB 4.12Å; Y7-K55 HydrophobicContact CD2-CG 4.47Å; Y7-K55 HydrophobicContact CE2-CB 4.06Å; Y7-K55 HydrophobicContact CE2-CD 4.1Å; Y7-K55 HydrophobicContact CE2-CG 3.9Å; E51-K55 WeakPolarHBondContact CA-O 3.49Å; L52-K55 PolarHBondContact N-O 3.16Å; L52-K55 WeakPolarHBondContact O-CA 3.19Å; L52-K55 WeakPolarHBondContact O-CB 3.33Å; L52-K55 PolarHBondContact O-N 3.36Å; D53-K55 PolarHBondContact O-N 2.99Å; K55-V57 HydrophobicContact CB-CG2 4.48Å; K55-V57 PolarHBondContact O-N 3.08Å
56R95.4Very high90.8Very high131 Ų13146.6 Ų46.649%0.49424%0.235SC..EExtended strand (participates in β ladder)trans-85.2108.8173.6-64.7-177.368.1-171.52109.1T4 D6 Y7T4-R56 PolarHBondContact O-NE 2.7Å; T4-R56 PolarHBondContact O-NH1 3.44Å; T4-R56 PolarHBondContact O-NH2 2.85Å; D6-R56 PolarHBondContact N-O 3.44Å; D6-R56 PolarHBondContact OD2-N 3.49Å; Y7-R56 PolarHBondContact N-O 3.44Å
57V96.9Very high89.3Confident0 Ų046.1 Ų46.10%023%0.233CC..EExtended strand (participates in β ladder)trans-106.5119.2-178.3-177.60000109.2Y7 F9 T49 I50 L52 K55 L59Y7-V57 HydrophobicContact CD2-CG2 4.37Å; F9-V57 HydrophobicContact CB-CG1 4.48Å; F9-V57 HydrophobicContact CD1-CG1 4.46Å; F9-V57 HydrophobicContact CD2-CG1 3.31Å; F9-V57 HydrophobicContact CE2-CG1 3.47Å; F9-V57 VanDerWaalsContact CE2-CG1 3.47Å; F9-V57 HydrophobicContact CE2-CG2 4.27Å; F9-V57 HydrophobicContact CG-CG1 3.84Å; F9-V57 HydrophobicContact CZ-CG1 4.11Å; T49-V57 CarbonylContact C-O 3.47Å; T49-V57 WeakPolarHBondContact CA-O 3.22Å; I50-V57 HydrophobicContact CG1-CB 4.06Å; I50-V57 PolarHBondContact N-O 3.24Å; I50-V57 PolarHBondContact O-N 3.4Å; L52-V57 HydrophobicContact CB-CG2 3.99Å; L52-V57 HydrophobicContact CD2-CG2 4.33Å; K55-V57 HydrophobicContact CB-CG2 4.48Å; K55-V57 PolarHBondContact O-N 3.08Å; V57-L59 HydrophobicContact CG1-CD2 3.75Å
58K96.5Very high87.2Confident52 Ų5247.4 Ų47.423%0.22624%0.238CC..EExtended strand (participates in β ladder)trans-86.2112.7170.7-178.9174.7-96.1-171.40109.1Y5 Y7 L8 F9 I47Y5-K58 HydrophobicContact CD1-CB 4.32Å; Y5-K58 HydrophobicContact CD1-CD 4.22Å; Y5-K58 HydrophobicContact CD2-CB 4.24Å; Y5-K58 HydrophobicContact CE1-CD 4.22Å; Y5-K58 HydrophobicContact CG-CB 3.97Å; Y7-K58 PolarHBondContact O-N 3.38Å; L8-K58 CarbonylContact C-O 3.58Å; L8-K58 WeakPolarHBondContact CA-O 3.24Å; L8-K58 HydrophobicContact CD1-CB 3.85Å; L8-K58 HydrophobicContact CD1-CD 3.72Å; L8-K58 HydrophobicContact CD1-CG 3.67Å; F9-K58 PolarHBondContact N-O 3.44Å; I47-K58 HydrophobicContact CG2-CD 3.73Å; I47-K58 HydrophobicContact CG2-CG 3.54Å
59L96.9Very high85.2Confident0 Ų053.8 Ų53.80%026%0.261CS..EExtended strand (participates in β ladder)trans-88.1129173.1-56.4-177.8000109.9F9 L11 F28 I47 R48 I50 V57 I61 A166F9-L59 HydrophobicContact CB-CD2 3.88Å; F9-L59 HydrophobicContact CD2-CD2 3.99Å; F9-L59 HydrophobicContact CG-CD2 4.39Å; L11-L59 HydrophobicContact CD1-CD1 4.2Å; L11-L59 HydrophobicContact CD1-CD2 4.19Å; F28-L59 HydrophobicContact CE1-CD1 3.99Å; F28-L59 HydrophobicContact CZ-CD1 3.9Å; I47-L59 VanDerWaalsContact CA-O 3.27Å; I47-L59 WeakPolarHBondContact CA-O 3.43Å; R48-L59 PolarHBondContact N-O 2.61Å; R48-L59 VanDerWaalsContact N-O 3.09Å; R48-L59 WeakPolarHBondContact O-CA 3.32Å; R48-L59 WeakPolarHBondContact O-CB 3.25Å; R48-L59 PolarHBondContact O-N 2.93Å; I50-L59 HydrophobicContact CD1-CD1 3.79Å; I50-L59 HydrophobicContact CD1-CG 4.24Å; I50-L59 HydrophobicContact CG1-CD1 4.16Å; I50-L59 HydrophobicContact CG1-CG 4.22Å; I50-L59 HydrophobicContact CG2-CD1 4.32Å; V57-L59 HydrophobicContact CG1-CD2 3.75Å; L59-I61 HydrophobicContact CB-CD1 4.34Å; L59-I61 HydrophobicContact CB-CG1 4.12Å; L59-A166 HydrophobicContact CD2-CB 4.12Å
60Q95.6Very high83.2Confident49 Ų4956.7 Ų56.723%0.22927%0.269CS..EExtended strand (participates in β ladder)trans-108.4103.5170.6-79.8-170.7-2100108L8 F9 K10 L11 F45 I47L8-Q60 HydrophobicContact CD1-CG 3.77Å; F9-Q60 PolarHBondContact O-N 3Å; K10-Q60 CarbonylContact C-O 3.51Å; K10-Q60 WeakPolarHBondContact CA-O 3.47Å; L11-Q60 PolarHBondContact N-O 3.28Å; F45-Q60 HydrophobicContact CE2-CB 3.75Å; F45-Q60 HydrophobicContact CE2-CG 3.94Å; F45-Q60 HydrophobicContact CZ-CB 4.12Å; F45-Q60 HydrophobicContact CZ-CG 3.78Å; I47-Q60 HydrophobicContact CD1-CG 4.5Å; I47-Q60 HydrophobicContact CG1-CG 4.29Å
61I94.9Very high81.1Confident0 Ų063.5 Ų63.50%030%0.295CS..EExtended strand (participates in β ladder)trans-107.4121.4-170.8-49.1166000108.9L11 L13 L25 F28 F45 K46 L59 F162L11-I61 HydrophobicContact CB-CG1 4.31Å; L11-I61 HydrophobicContact CB-CG2 4.41Å; L11-I61 HydrophobicContact CD1-CG1 4.33Å; L13-I61 HydrophobicContact CD1-CG2 4.15Å; L13-I61 HydrophobicContact CG-CG2 4.03Å; L25-I61 HydrophobicContact CD1-CB 3.76Å; L25-I61 HydrophobicContact CD1-CD1 3.77Å; L25-I61 HydrophobicContact CD1-CG1 4.38Å; L25-I61 HydrophobicContact CD1-CG2 3.61Å; F28-I61 HydrophobicContact CD1-CD1 3.68Å; F28-I61 HydrophobicContact CE1-CD1 3.64Å; F45-I61 WeakPolarHBondContact CA-O 3.27Å; K46-I61 PolarHBondContact N-O 3.31Å; K46-I61 PolarHBondContact O-N 2.82Å; L59-I61 HydrophobicContact CB-CD1 4.34Å; L59-I61 HydrophobicContact CB-CG1 4.12Å; I61-F162 HydrophobicContact CD1-CD1 4.05Å; I61-F162 HydrophobicContact CD1-CE1 3.82Å; I61-F162 HydrophobicContact CG1-CE1 4.44Å; I61-F162 HydrophobicContact CG2-CE1 4.12Å
62W92.3Very high79.2Confident60 Ų6062.6 Ų62.623%0.22730%0.298CS..EExtended strand (participates in β ladder)trans-101.1114.5178.6-62.682.2000108.9L11 L12 L13 I43 F45 Y77L11-W62 PolarHBondContact O-N 3.42Å; L12-W62 HydrophobicContact CD1-CB 3.62Å; L13-W62 PolarHBondContact N-O 2.84Å; I43-W62 HydrophobicContact CG2-CE3 3.72Å; I43-W62 HydrophobicContact CG2-CZ3 4.38Å; F45-W62 HydrophobicContact CB-CE3 4.41Å; F45-W62 HydrophobicContact CB-CZ3 4.49Å; F45-W62 AromaticContact CD2-CD2 3.75Å; F45-W62 HydrophobicContact CD2-CD2 3.75Å; F45-W62 AromaticContact CD2-CE2 3.59Å; F45-W62 HydrophobicContact CD2-CE3 4.05Å; F45-W62 HydrophobicContact CD2-CG 4.25Å; F45-W62 HydrophobicContact CD2-CH2 4.15Å; F45-W62 AromaticContact CD2-CZ2 3.83Å; F45-W62 HydrophobicContact CD2-CZ2 3.83Å; F45-W62 HydrophobicContact CD2-CZ3 4.23Å; F45-W62 AromaticContact CD2-NE1 3.92Å; F45-W62 HydrophobicContact CE2-CD2 4.36Å; F45-W62 AromaticContact CE2-CE2 3.75Å; F45-W62 AromaticContact CE2-CZ2 3.85Å; F45-W62 HydrophobicContact CE2-CZ2 3.85Å; F45-W62 AromaticContact CE2-NE1 3.79Å; W62-Y77 HydrophobicContact CD2-CD1 4.33Å; W62-Y77 AromaticContact CE3-CD1 3.86Å; W62-Y77 HydrophobicContact CE3-CD1 3.86Å; W62-Y77 AromaticContact CE3-CE1 3.74Å; W62-Y77 HydrophobicContact CE3-CE1 3.74Å; W62-Y77 HydrophobicContact CH2-CE1 4.41Å; W62-Y77 HydrophobicContact CZ3-CD1 4.13Å; W62-Y77 AromaticContact CZ3-CE1 3.63Å; W62-Y77 HydrophobicContact CZ3-CE1 3.63Å
63D89.8Confident77.5Confident0 Ų063.1 Ų63.10%030%0.301CS..EExtended strand (participates in β ladder)trans-96.2123.3173.4178.543.4000110.1K21 T22 L25 I43 D44K21-D63 WeakPolarHBondContact CB-OD1 3.47Å; T22-D63 WeakPolarHBondContact CA-OD2 3.1Å; T22-D63 VanDerWaalsContact CB-OD2 3.25Å; T22-D63 WeakPolarHBondContact CB-OD2 3.28Å; T22-D63 PolarHBondContact N-OD1 3.42Å; T22-D63 PolarHBondContact OG1-OD2 3.37Å; L25-D63 HydrophobicContact CD2-CB 3.61Å; I43-D63 CarbonylContact C-O 3.54Å; I43-D63 VanDerWaalsContact CA-O 3.28Å; I43-D63 WeakPolarHBondContact CA-O 3.43Å; I43-D63 WeakPolarHBondContact CG2-O 3.5Å; D44-D63 HydrophobicContact CB-CB 4.35Å; D44-D63 PolarHBondContact N-O 3.37Å; D44-D63 PolarHBondContact O-N 2.81Å
64T83.5Confident76Confident1 Ų161.6 Ų61.61%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-100.3140.8-175.862.50000112L12 L13 K21 I43 G66 I73L12-T64 HydrophobicContact CD1-CG2 3.56Å; L12-T64 HydrophobicContact CG-CG2 4.44Å; L13-T64 PolarHBondContact O-OG1 3.44Å; K21-T64 WeakPolarHBondContact CE-O 3.44Å; I43-T64 HydrophobicContact CG1-CG2 4.31Å; T64-G66 PolarHBondContact O-N 3.26Å; T64-I73 HydrophobicContact CG2-CD1 4.1Å; T64-I73 HydrophobicContact CG2-CG2 4.28Å
65A74.3Confident74.9Confident11 Ų1162.3 Ų62.39%0.09129%0.289CS..PPolyproline II helixtrans-59.6127.3166.700000110.1T40 G42 Q67T40-A65 WeakPolarHBondContact O-CB 3.36Å; G42-A65 WeakPolarHBondContact O-CB 3.43Å; G42-A65 PolarHBondContact O-N 3.14Å; A65-Q67 VanDerWaalsContact C-N 3.29Å; A65-Q67 PolarHBondContact O-N 3.2Å
66G58.6Low73.8Confident13 Ų1360.9 Ų60.913%0.13429%0.293CS..  trans-85.34.6176.400000114.3S17 T64 E68S17-G66 WeakPolarHBondContact CB-O 3.4Å; S17-G66 PolarHBondContact N-O 3.24Å; T64-G66 PolarHBondContact O-N 3.26Å; G66-E68 PolarHBondContact O-N 3.49Å
67Q57.7Low73Confident47 Ų4757.9 Ų57.922%0.2228%0.282CS..  trans-67126.9-177.4-104.4-150.720.900110.9A65 R69 F70A65-Q67 VanDerWaalsContact C-N 3.29Å; A65-Q67 PolarHBondContact O-N 3.2Å; Q67-R69 PolarHBondContact O-N 2.94Å; Q67-R69 VanDerWaalsContact O-N 3.1Å; Q67-F70 HydrophobicContact CB-CD2 3.8Å; Q67-F70 HydrophobicContact CB-CE2 4.34Å; Q67-F70 PolarHBondContact O-N 3.05Å
68E49.6Very low72.3Confident108 Ų10858 Ų5851%0.50528%0.283SS..G310 helixtrans-58.3-25.9-177.458.5-73.2157.800114.1G66 F70 R71G66-E68 PolarHBondContact O-N 3.49Å; E68-F70 PolarHBondContact O-N 3.18Å; E68-R71 WeakPolarHBondContact O-CB 3.36Å; E68-R71 WeakPolarHBondContact O-CD 3.4Å; E68-R71 WeakPolarHBondContact O-CG 3.2Å; E68-R71 PolarHBondContact O-N 3.45Å
69R52.1Low71.7Confident196 Ų19665.2 Ų65.274%0.7431%0.309SS*.G310 helixtrans-71.4-10.7175.1-65.1-174.4-64.4179.11.8113.9Q67Q67-R69 PolarHBondContact O-N 2.94Å; Q67-R69 VanDerWaalsContact O-N 3.1Å
70F52.2Low71.3Confident123 Ų12367.7 Ų67.754%0.53933%0.334SS..G310 helixtrans-118.422.5175.5-55.1-72.4000112Q67 E68 T72 I73Q67-F70 HydrophobicContact CB-CD2 3.8Å; Q67-F70 HydrophobicContact CB-CE2 4.34Å; Q67-F70 PolarHBondContact O-N 3.05Å; E68-F70 PolarHBondContact O-N 3.18Å; F70-T72 CarbonylContact O-C 3.09Å; F70-T72 PolarHBondContact O-N 3.43Å; F70-I73 PolarHBondContact O-N 2.92Å
71R52Low71.2Confident150 Ų15065.6 Ų65.657%0.56633%0.325SS*.  trans-49.9-21.1-178.9-99.3168.2177.9-157.6-3.7115E68 I73E68-R71 WeakPolarHBondContact O-CB 3.36Å; E68-R71 WeakPolarHBondContact O-CD 3.4Å; E68-R71 WeakPolarHBondContact O-CG 3.2Å; E68-R71 PolarHBondContact O-N 3.45Å; R71-I73 PolarHBondContact O-N 2.92Å
72T55.1Low71.2Confident119 Ų11968 Ų6873%0.7334%0.337SS*.  trans-73.173159.5-41.30000108.9F70 T74F70-T72 CarbonylContact O-C 3.09Å; F70-T72 PolarHBondContact O-N 3.43Å; T72-T74 VanDerWaalsContact C-N 3.3Å; T72-T74 PolarHBondContact O-N 2.69Å
73I57.9Low71.5Confident14 Ų1465.2 Ų65.27%0.07233%0.326CS..  trans-54.1111.5151-62.6177.9000103.3I14 T64 F70 R71 T75 Y77 Y78 W102I14-I73 HydrophobicContact CG2-CD1 4.01Å; T64-I73 HydrophobicContact CG2-CD1 4.1Å; T64-I73 HydrophobicContact CG2-CG2 4.28Å; F70-I73 PolarHBondContact O-N 2.92Å; R71-I73 PolarHBondContact O-N 2.92Å; I73-T75 PolarHBondContact O-N 3.18Å; I73-Y77 HydrophobicContact CG2-CD2 4.27Å; I73-Y78 HydrophobicContact CB-CE2 4.11Å; I73-Y78 HydrophobicContact CG2-CD2 4.43Å; I73-Y78 HydrophobicContact CG2-CE2 3.9Å; I73-W102 HydrophobicContact CD1-CH2 3.94Å; I73-W102 HydrophobicContact CD1-CZ3 3.58Å; I73-W102 HydrophobicContact CG1-CZ3 4.45Å
74T60.1Low71.8Confident75 Ų7565.2 Ų65.246%0.4633%0.326SS..  trans-50.6125.5-175.4-47.10000107.5T72 A76 Y77T72-T74 VanDerWaalsContact C-N 3.3Å; T72-T74 PolarHBondContact O-N 2.69Å; T74-A76 HydrophobicContact CG2-CB 3.69Å; T74-A76 PolarHBondContact O-N 2.96Å; T74-Y77 WeakPolarHBondContact O-CD2 3.44Å; T74-Y77 PolarHBondContact O-N 2.53Å
75T66.7Low72.4Confident73 Ų7365.1 Ų65.145%0.44833%0.326SS..THydrogen-bonded Turntrans-45.4-26177.249.60000112.6I73 Y77 Y78 R79 H109I73-T75 PolarHBondContact O-N 3.18Å; T75-Y77 PolarHBondContact O-N 3.18Å; T75-Y77 VanDerWaalsContact O-N 3.17Å; T75-Y78 PolarHBondContact O-N 3.44Å; T75-R79 PolarHBondContact O-N 3.44Å; T75-H109 HydrophobicContact CG2-CB 4.36Å
76A71.2Confident73.5Confident57 Ų5764.7 Ų64.747%0.47132%0.322SS..THydrogen-bonded Turntrans-46.7-34168.300000115.8T74 R79T74-A76 HydrophobicContact CG2-CB 3.69Å; T74-A76 PolarHBondContact O-N 2.96Å; A76-R79 WeakPolarHBondContact O-CB 3.47Å
77Y78.4Confident75.4Confident67 Ų6764 Ų6426%0.26332%0.315SS..THydrogen-bonded Turntrans-81.3-33.7-177.2-66.7-77.2000113.2K10 I43 W62 I73 T74 T75 R79K10-Y77 WeakPolarHBondContact CE-O 3.31Å; K10-Y77 PolarHBondContact NZ-O 2.85Å; K10-Y77 VanDerWaalsContact NZ-O 3.09Å; I43-Y77 HydrophobicContact CD1-CD1 3.99Å; I43-Y77 HydrophobicContact CD1-CD2 3.43Å; I43-Y77 VanDerWaalsContact CD1-CD2 3.43Å; I43-Y77 HydrophobicContact CD1-CE1 3.67Å; I43-Y77 HydrophobicContact CD1-CE2 3.08Å; I43-Y77 HydrophobicContact CD1-CG 3.88Å; I43-Y77 HydrophobicContact CG2-CE1 4.31Å; W62-Y77 HydrophobicContact CD2-CD1 4.33Å; W62-Y77 AromaticContact CE3-CD1 3.86Å; W62-Y77 HydrophobicContact CE3-CD1 3.86Å; W62-Y77 AromaticContact CE3-CE1 3.74Å; W62-Y77 HydrophobicContact CE3-CE1 3.74Å; W62-Y77 HydrophobicContact CH2-CE1 4.41Å; W62-Y77 HydrophobicContact CZ3-CD1 4.13Å; W62-Y77 AromaticContact CZ3-CE1 3.63Å; W62-Y77 HydrophobicContact CZ3-CE1 3.63Å; I73-Y77 HydrophobicContact CG2-CD2 4.27Å; T74-Y77 WeakPolarHBondContact O-CD2 3.44Å; T74-Y77 PolarHBondContact O-N 2.53Å; T75-Y77 PolarHBondContact O-N 3.18Å; T75-Y77 VanDerWaalsContact O-N 3.17Å; Y77-R79 PolarHBondContact O-N 3.23Å
78Y83.9Confident77.3Confident3 Ų361.8 Ų61.81%0.01231%0.305CS..THydrogen-bonded Turntrans-62.2-33.7170.4-68.7-85.9000111.1L12 I14 I73 T75 G80 A81 I84 I106 H109 A110L12-Y78 HydrophobicContact CD2-CD1 4.13Å; L12-Y78 HydrophobicContact CD2-CE1 4.21Å; L12-Y78 HydrophobicContact CD2-CG 4.44Å; I14-Y78 HydrophobicContact CD1-CE1 4.48Å; I73-Y78 HydrophobicContact CB-CE2 4.11Å; I73-Y78 HydrophobicContact CG2-CD2 4.43Å; I73-Y78 HydrophobicContact CG2-CE2 3.9Å; T75-Y78 PolarHBondContact O-N 3.44Å; Y78-G80 PolarHBondContact O-N 3.4Å; Y78-A81 WeakPolarHBondContact O-CB 3.31Å; Y78-A81 PolarHBondContact O-N 3.19Å; Y78-A81 VanDerWaalsContact O-N 3.1Å; Y78-I84 HydrophobicContact CD1-CD1 3.9Å; Y78-I84 HydrophobicContact CE1-CD1 4.33Å; Y78-I106 HydrophobicContact CD1-CG1 4.44Å; Y78-I106 HydrophobicContact CE1-CG1 3.86Å; Y78-H109 HydrophobicContact CD2-CB 4.15Å; Y78-H109 HydrophobicContact CG-CB 4.06Å; Y78-A110 HydrophobicContact CD1-CB 4.22Å
79R83.1Confident79.6Confident204 Ų20457.1 Ų57.177%0.7728%0.283SS*.THydrogen-bonded Turntrans-60.7121.4176.9-168.4179.6177.9114.1-0.5111.1K10 T75 A76 Y77 A81K10-R79 PolarHBondContact NZ-O 2.99Å; T75-R79 PolarHBondContact O-N 3.44Å; A76-R79 WeakPolarHBondContact O-CB 3.47Å; Y77-R79 PolarHBondContact O-N 3.23Å; R79-A81 PolarHBondContact O-N 3.49Å
80G87.4Confident81.8Confident51 Ų5147.8 Ų47.853%0.52625%0.248SC..THydrogen-bonded Turntrans73.2717900000114.6Y78 M82Y78-G80 PolarHBondContact O-N 3.4Å; G80-M82 PolarHBondContact O-N 2.93Å
81A93.7Very high84Confident5 Ų543 Ų434%0.04123%0.23CC..  trans-63.2132.4164.300000108.6L12 Y78 R79 I84 V114L12-A81 HydrophobicContact CB-CB 4.44Å; Y78-A81 WeakPolarHBondContact O-CB 3.31Å; Y78-A81 PolarHBondContact O-N 3.19Å; Y78-A81 VanDerWaalsContact O-N 3.1Å; R79-A81 PolarHBondContact O-N 3.49Å; A81-I84 HydrophobicContact CB-CD1 4.33Å; A81-I84 HydrophobicContact CB-CG1 4.07Å; A81-V114 HydrophobicContact CB-CG2 4.42Å; A81-V114 WeakPolarHBondContact O-CG2 3.49Å
82M96.4Very high86.2Confident52 Ų5238.9 Ų38.926%0.25622%0.219SC..SBendtrans-99.8-29.5178.6-60.3174.772.700110.7F9 K10 G80 E115 I169 L173F9-M82 HydrophobicContact CB-SD 4.35Å; F9-M82 HydrophobicContact CD1-CE 3.59Å; F9-M82 HydrophobicContact CD1-SD 3.94Å; F9-M82 HydrophobicContact CE1-CE 4Å; K10-M82 PolarHBondContact O-N 3.49Å; G80-M82 PolarHBondContact O-N 2.93Å; M82-E115 PolarHBondContact O-N 2.86Å; M82-I169 HydrophobicContact CB-CD1 4.05Å; M82-I169 HydrophobicContact CB-CG1 4.43Å; M82-I169 HydrophobicContact CB-CG2 4.04Å; M82-I169 HydrophobicContact CE-CG2 3.67Å; M82-L173 HydrophobicContact CE-CD1 3.69Å; M82-L173 HydrophobicContact CE-CD2 4.22Å; M82-L173 HydrophobicContact CE-CG 4.37Å
83G97.1Very high88.2Confident0 Ų036.8 Ų36.80%020%0.201CC..EExtended strand (participates in β ladder)trans-136.8144.8169.800000111.7K10 L11 L12 E115K10-G83 PolarHBondContact O-N 3.09Å; L11-G83 CarbonylContact C-O 3.54Å; L11-G83 VanDerWaalsContact CA-O 3.31Å; L11-G83 WeakPolarHBondContact CA-O 3.46Å; L12-G83 PolarHBondContact N-O 3.47Å; G83-E115 CarbonylContact C-O 3.53Å; G83-E115 VanDerWaalsContact CA-O 3.26Å; G83-E115 WeakPolarHBondContact CA-O 3.22Å
84I96.4Very high90Very high0 Ų043 Ų430%023%0.228CC..EExtended strand (participates in β ladder)trans-127.6125.5176.2-58.9175.3000108.6L12 I14 Y78 A81 I106 A110 V114 E115 K116 M117L12-I84 HydrophobicContact CB-CG1 4.22Å; L12-I84 WeakPolarHBondContact O-CA 3.39Å; I14-I84 HydrophobicContact CD1-CG2 3.77Å; I14-I84 HydrophobicContact CG1-CG2 3.88Å; I14-I84 HydrophobicContact CG2-CG2 4.41Å; Y78-I84 HydrophobicContact CD1-CD1 3.9Å; Y78-I84 HydrophobicContact CE1-CD1 4.33Å; A81-I84 HydrophobicContact CB-CD1 4.33Å; A81-I84 HydrophobicContact CB-CG1 4.07Å; I84-I106 HydrophobicContact CB-CD1 4.24Å; I84-I106 HydrophobicContact CD1-CB 4.48Å; I84-I106 HydrophobicContact CD1-CD1 4.26Å; I84-I106 HydrophobicContact CD1-CG1 3.94Å; I84-I106 HydrophobicContact CD1-CG2 3.8Å; I84-I106 HydrophobicContact CG2-CD1 3.67Å; I84-I106 HydrophobicContact CG2-CG1 4.21Å; I84-A110 HydrophobicContact CD1-CB 4.03Å; I84-V114 HydrophobicContact CD1-CG1 4.23Å; I84-V114 HydrophobicContact CD1-CG2 3.78Å; I84-V114 HydrophobicContact CG1-CG2 3.69Å; I84-E115 PolarHBondContact N-O 2.79Å; I84-K116 WeakPolarHBondContact O-CA 3.3Å; I84-M117 PolarHBondContact O-N 2.99Å
85M97.6Very high91.8Very high0 Ų039.5 Ų39.50%021%0.206CC..EExtended strand (participates in β ladder)trans-107.4117.5176.5-47.7177.387.300108.9L12 L13 I14 M117 L119 A161 F162 I165L12-M85 PolarHBondContact O-N 3.17Å; L13-M85 HydrophobicContact CD2-CB 3.7Å; L13-M85 HydrophobicContact CD2-CG 4.03Å; L13-M85 HydrophobicContact CD2-SD 3.68Å; I14-M85 PolarHBondContact N-O 3.11Å; M85-M117 CarbonylContact C-O 3.58Å; M85-M117 WeakPolarHBondContact CA-O 3.42Å; M85-M117 HydrophobicContact CE-SD 4.05Å; M85-L119 HydrophobicContact CB-CD1 4.37Å; M85-L119 HydrophobicContact CE-CD1 3.78Å; M85-L119 HydrophobicContact CE-CD2 4.33Å; M85-L119 HydrophobicContact CE-CG 4.38Å; M85-A161 HydrophobicContact CE-CB 3.71Å; M85-F162 HydrophobicContact CE-CD1 4.4Å; M85-F162 HydrophobicContact CE-CG 4.48Å; M85-F162 HydrophobicContact SD-CD1 3.76Å; M85-F162 HydrophobicContact SD-CE1 3.62Å; M85-F162 HydrophobicContact SD-CG 4.4Å; M85-F162 HydrophobicContact SD-CZ 4.16Å; M85-I165 HydrophobicContact CE-CG2 4.1Å; M85-I165 HydrophobicContact CG-CD1 3.71Å; M85-I165 HydrophobicContact CG-CG2 4.41Å; M85-I165 HydrophobicContact SD-CG2 4.14Å
86L96.7Very high93.3Very high1 Ų136.7 Ų36.71%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-94.6118.5179.7-56.592.6000109.3I14 I99 W102 I103 I106 K116 M117 I118 L119I14-L86 HydrophobicContact CD1-CD2 4.1Å; I14-L86 HydrophobicContact CD1-CG 3.97Å; I14-L86 HydrophobicContact CG1-CB 4.37Å; I14-L86 HydrophobicContact CG1-CD2 4.49Å; I14-L86 HydrophobicContact CG1-CG 3.95Å; L86-I99 HydrophobicContact CB-CD1 3.99Å; L86-I99 HydrophobicContact CD2-CG2 4.23Å; L86-W102 HydrophobicContact CD2-CB 3.78Å; L86-I103 HydrophobicContact CD2-CD1 4.5Å; L86-I103 HydrophobicContact CD2-CG1 3.55Å; L86-I106 HydrophobicContact CD1-CD1 3.84Å; L86-I106 HydrophobicContact CD2-CD1 3.77Å; L86-I106 HydrophobicContact CG-CD1 3.94Å; L86-K116 HydrophobicContact CD1-CB 4.44Å; L86-M117 WeakPolarHBondContact CD1-O 3.37Å; L86-M117 PolarHBondContact N-O 2.79Å; L86-I118 HydrophobicContact CB-CG1 4.46Å; L86-I118 HydrophobicContact CD1-CG1 4.45Å; L86-I118 CarbonylContact O-C 3.59Å; L86-I118 WeakPolarHBondContact O-CA 3.38Å; L86-L119 PolarHBondContact O-N 2.84Å
87V97.9Very high94.5Very high0 Ų037.8 Ų37.80%019%0.185CC..EExtended strand (participates in β ladder)trans-110.6128.3-173.6-168.50000110.2I14 G15 V19 K21 L24 L119 N121I14-V87 PolarHBondContact O-N 2.79Å; G15-V87 WeakPolarHBondContact CA-O 3.2Å; V19-V87 HydrophobicContact CB-CG1 4.32Å; V19-V87 HydrophobicContact CG2-CB 3.93Å; V19-V87 HydrophobicContact CG2-CG1 3.88Å; V19-V87 WeakPolarHBondContact CG2-O 3.41Å; K21-V87 HydrophobicContact CG-CB 3.98Å; K21-V87 HydrophobicContact CG-CG2 4.01Å; L24-V87 HydrophobicContact CD1-CG1 3.81Å; L24-V87 HydrophobicContact CD1-CG2 4.08Å; V87-L119 WeakPolarHBondContact CA-O 3.46Å; V87-L119 HydrophobicContact CG1-CB 4.44Å; V87-L119 HydrophobicContact CG2-CB 4.33Å; V87-L119 HydrophobicContact CG2-CD1 4.21Å; V87-N121 HydrophobicContact CG1-CB 3.77Å
88Y98.1Very high95.2Very high0 Ų035.5 Ų35.50%018%0.178CC..EExtended strand (participates in β ladder)trans-120.7166.5164.272.7-88.2000110.6I90 F96 I99 I118 L119 G120 N121 V131 F147Y88-I90 HydrophobicContact CE2-CG2 3.96Å; Y88-F96 HydrophobicContact CD1-CD2 4.16Å; Y88-F96 HydrophobicContact CD2-CB 3.83Å; Y88-F96 HydrophobicContact CD2-CD2 4.05Å; Y88-F96 HydrophobicContact CD2-CG 4.44Å; Y88-F96 AromaticContact CE1-CD2 3.91Å; Y88-F96 HydrophobicContact CE1-CD2 3.91Å; Y88-F96 HydrophobicContact CE1-CE2 4.43Å; Y88-F96 HydrophobicContact CE2-CB 4.27Å; Y88-F96 AromaticContact CE2-CD2 3.82Å; Y88-F96 HydrophobicContact CE2-CD2 3.82Å; Y88-F96 HydrophobicContact CE2-CG 4.47Å; Y88-F96 HydrophobicContact CG-CB 4.18Å; Y88-F96 HydrophobicContact CG-CD2 4.21Å; Y88-F96 AromaticContact CZ-CD2 3.75Å; Y88-I99 HydrophobicContact CD1-CD1 4.27Å; Y88-I99 HydrophobicContact CD1-CG1 4.04Å; Y88-I99 HydrophobicContact CG-CG1 4.35Å; Y88-I118 HydrophobicContact CD1-CG2 3.89Å; Y88-I118 HydrophobicContact CE1-CG2 3.69Å; Y88-L119 WeakPolarHBondContact CD1-O 3.29Å; Y88-L119 PolarHBondContact N-O 2.82Å; Y88-G120 VanDerWaalsContact CZ-CA 3.48Å; Y88-N121 WeakPolarHBondContact O-CB 3.49Å; Y88-N121 PolarHBondContact O-N 3.17Å; Y88-V131 HydrophobicContact CE2-CB 4.06Å; Y88-V131 HydrophobicContact CE2-CG1 3.84Å; Y88-V131 HydrophobicContact CE2-CG2 4.41Å; Y88-F147 AromaticContact CE1-CE2 3.92Å; Y88-F147 HydrophobicContact CE1-CE2 3.92Å; Y88-F147 VanDerWaalsContact OH-CE2 3.31Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.49Å
89D98.1Very high95.8Very high10 Ų1035.3 Ų35.35%0.05318%0.177CC..EExtended strand (participates in β ladder)trans-102.8122.6175.9175-6.5000109.4V19 S91 N92 S95 K122V19-D89 HydrophobicContact CB-CB 4.29Å; V19-D89 HydrophobicContact CG1-CB 4.26Å; D89-S91 VanDerWaalsContact CG-OG 3.24Å; D89-S91 PolarHBondContact O-N 2.9Å; D89-S91 VanDerWaalsContact O-N 3.09Å; D89-S91 WeakPolarHBondContact OD1-CA 3.34Å; D89-S91 WeakPolarHBondContact OD1-CB 3.41Å; D89-S91 PolarHBondContact OD1-N 2.67Å; D89-S91 PolarHBondContact OD1-OG 3.45Å; D89-S91 PolarHBondContact OD2-OG 2.86Å; D89-N92 HydrophobicContact CB-CB 4.07Å; D89-N92 PolarHBondContact O-N 3.39Å; D89-S95 PolarHBondContact N-OG 3.37Å; D89-S95 PolarHBondContact O-OG 2.78Å; D89-K122 WeakPolarHBondContact OD2-CD 3.24Å; D89-K122 VanDerWaalsContact OD2-CE 3.23Å; D89-K122 WeakPolarHBondContact OD2-CE 3.3Å; D89-K122 IonicContact OD2-NZ 2.68Å; D89-K122 PolarHBondContact OD2-NZ 2.89Å
90I98.5Very high96.3Very high0 Ų030 Ų300%016%0.16CC..THydrogen-bonded Turntrans-62.3-18.7-178.763135.6000113.5Y88 N121 K122 R129 Q130 V131Y88-I90 HydrophobicContact CE2-CG2 3.96Å; I90-N121 WeakPolarHBondContact CG1-O 3.35Å; I90-N121 PolarHBondContact N-O 3.09Å; I90-K122 WeakPolarHBondContact CD1-O 3.29Å; I90-K122 HydrophobicContact CG1-CB 4.5Å; I90-K122 VanDerWaalsContact CG1-O 3.29Å; I90-K122 WeakPolarHBondContact CG1-O 3.46Å; I90-R129 HydrophobicContact CD1-CB 4.12Å; I90-R129 HydrophobicContact CD1-CG 4.1Å; I90-Q130 PolarHBondContact O-N 2.84Å; I90-V131 PolarHBondContact O-N 3.42Å
91S98Very high96.5Very high22 Ų2230.9 Ų30.915%0.15415%0.152CC..THydrogen-bonded Turntrans-934.9176.872.30000113.7D89 R128 Q130D89-S91 VanDerWaalsContact CG-OG 3.24Å; D89-S91 PolarHBondContact O-N 2.9Å; D89-S91 VanDerWaalsContact O-N 3.09Å; D89-S91 WeakPolarHBondContact OD1-CA 3.34Å; D89-S91 WeakPolarHBondContact OD1-CB 3.41Å; D89-S91 PolarHBondContact OD1-N 2.67Å; D89-S91 PolarHBondContact OD1-OG 3.45Å; D89-S91 PolarHBondContact OD2-OG 2.86Å; S91-R128 VanDerWaalsContact CA-O 3.26Å; S91-R128 WeakPolarHBondContact CA-O 3.5Å; S91-R128 VanDerWaalsContact CB-O 3.24Å; S91-R128 WeakPolarHBondContact CB-O 3.46Å; S91-Q130 PolarHBondContact O-NE2 3.19Å; S91-Q130 VanDerWaalsContact O-NE2 3.1Å; S91-Q130 PolarHBondContact O-OE1 3.17Å
92N97.3Very high96.4Very high63 Ų6331.4 Ų31.434%0.33715%0.153SC..  trans-13798.4-179.1-177.9-19.4000111D89 K94 S95D89-N92 HydrophobicContact CB-CB 4.07Å; D89-N92 PolarHBondContact O-N 3.39Å; N92-K94 VanDerWaalsContact C-N 3.3Å; N92-K94 PolarHBondContact O-N 3.38Å; N92-K94 WeakPolarHBondContact OD1-CB 3.41Å; N92-K94 PolarHBondContact OD1-N 2.97Å; N92-S95 WeakPolarHBondContact O-CB 3.26Å; N92-S95 PolarHBondContact O-N 3.23Å; N92-S95 VanDerWaalsContact O-N 3.11Å; N92-S95 PolarHBondContact O-OG 2.95Å; N92-S95 PolarHBondContact OD1-N 3.18Å
93E97.4Very high96.2Very high76 Ų7629.2 Ų29.236%0.35514%0.142SC..Hα-helixtrans-58.3-38.1-178.5-178.9159.6-139.100113.4S95 F96 D97 Q130 R135E93-S95 PolarHBondContact O-N 3.26Å; E93-F96 WeakPolarHBondContact O-CB 3.42Å; E93-F96 PolarHBondContact O-N 3.33Å; E93-D97 PolarHBondContact O-N 2.89Å; E93-Q130 HydrophobicContact CB-CB 4.31Å; E93-R135 IonicContact OE1-CZ 2.89Å; E93-R135 IonicContact OE1-NH1 2.69Å; E93-R135 PolarHBondContact OE1-NH1 2.98Å; E93-R135 IonicContact OE1-NH2 3.46Å; E93-R135 PolarHBondContact OE1-NH2 2.83Å
94K96.4Very high95.9Very high145 Ų14535.6 Ų35.663%0.6317%0.166SC*.Hα-helixtrans-60.4-36.4178.5-175.6178.4179.7179.50112.2N92 F96 D97 N98N92-K94 VanDerWaalsContact C-N 3.3Å; N92-K94 PolarHBondContact O-N 3.38Å; N92-K94 WeakPolarHBondContact OD1-CB 3.41Å; N92-K94 PolarHBondContact OD1-N 2.97Å; K94-F96 VanDerWaalsContact C-N 3.29Å; K94-F96 PolarHBondContact O-N 3.35Å; K94-D97 PolarHBondContact O-N 3.02Å; K94-N98 WeakPolarHBondContact O-CB 3.31Å; K94-N98 PolarHBondContact O-N 3.31Å; K94-N98 VanDerWaalsContact O-N 3.11Å; K94-N98 PolarHBondContact O-ND2 3.25Å
95S96.6Very high95.5Very high1 Ų138 Ų381%0.00718%0.179CC..Hα-helixtrans-66.7-33.2177.476.30000112.3D89 N92 E93D89-S95 PolarHBondContact N-OG 3.37Å; D89-S95 PolarHBondContact O-OG 2.78Å; N92-S95 WeakPolarHBondContact O-CB 3.26Å; N92-S95 PolarHBondContact O-N 3.23Å; N92-S95 VanDerWaalsContact O-N 3.11Å; N92-S95 PolarHBondContact O-OG 2.95Å; N92-S95 PolarHBondContact OD1-N 3.18Å; E93-S95 PolarHBondContact O-N 3.26Å
96F98.2Very high95.2Very high14 Ų1438.1 Ų38.16%0.06118%0.18CC..Hα-helixtrans-70.8-45.6174.6171.3-99000111.6Y88 E93 K94 N98 I99 V131 R135 L139Y88-F96 HydrophobicContact CD1-CD2 4.16Å; Y88-F96 HydrophobicContact CD2-CB 3.83Å; Y88-F96 HydrophobicContact CD2-CD2 4.05Å; Y88-F96 HydrophobicContact CD2-CG 4.44Å; Y88-F96 AromaticContact CE1-CD2 3.91Å; Y88-F96 HydrophobicContact CE1-CD2 3.91Å; Y88-F96 HydrophobicContact CE1-CE2 4.43Å; Y88-F96 HydrophobicContact CE2-CB 4.27Å; Y88-F96 AromaticContact CE2-CD2 3.82Å; Y88-F96 HydrophobicContact CE2-CD2 3.82Å; Y88-F96 HydrophobicContact CE2-CG 4.47Å; Y88-F96 HydrophobicContact CG-CB 4.18Å; Y88-F96 HydrophobicContact CG-CD2 4.21Å; Y88-F96 AromaticContact CZ-CD2 3.75Å; E93-F96 WeakPolarHBondContact O-CB 3.42Å; E93-F96 PolarHBondContact O-N 3.33Å; K94-F96 VanDerWaalsContact C-N 3.29Å; K94-F96 PolarHBondContact O-N 3.35Å; F96-N98 PolarHBondContact O-N 2.88Å; F96-I99 VanDerWaalsContact O-CB 3.25Å; F96-I99 WeakPolarHBondContact O-CB 3.25Å; F96-I99 WeakPolarHBondContact O-CG1 3.36Å; F96-I99 PolarHBondContact O-N 3.39Å; F96-V131 HydrophobicContact CB-CG1 4.37Å; F96-V131 HydrophobicContact CB-CG2 3.72Å; F96-V131 HydrophobicContact CD1-CG1 4.28Å; F96-V131 HydrophobicContact CD1-CG2 4.43Å; F96-V131 HydrophobicContact CD2-CG1 3.71Å; F96-V131 HydrophobicContact CE2-CG1 3.97Å; F96-V131 HydrophobicContact CG-CG1 3.86Å; F96-V131 HydrophobicContact CG-CG2 4.02Å; F96-V131 HydrophobicContact CZ-CG1 4.37Å; F96-R135 HydrophobicContact CZ-CB 4.12Å; F96-L139 HydrophobicContact CD2-CD2 4.18Å; F96-L139 HydrophobicContact CE2-CB 4.11Å; F96-L139 HydrophobicContact CE2-CD2 3.53Å; F96-L139 HydrophobicContact CE2-CG 4.4Å; F96-L139 HydrophobicContact CZ-CB 4.04Å; F96-L139 HydrophobicContact CZ-CD2 3.84Å; F96-L139 HydrophobicContact CZ-CG 4.4Å
97D96.6Very high94.9Very high79 Ų7943.7 Ų43.742%0.42221%0.206SC..Hα-helixtrans-60.7-35.2178.1-69.3-24.9000112.1E93 K94 I99 K100E93-D97 PolarHBondContact O-N 2.89Å; K94-D97 PolarHBondContact O-N 3.02Å; D97-I99 PolarHBondContact O-N 2.82Å; D97-K100 PolarHBondContact O-N 2.78Å
98N94.8Very high94.5Very high19 Ų1950 Ų5010%0.10224%0.235CC..THydrogen-bonded Turntrans-68.8-15.6177.4-77.7-27.3000114D16 K94 F96 K100 N101 W102D16-N98 PolarHBondContact OD2-ND2 3.32Å; K94-N98 WeakPolarHBondContact O-CB 3.31Å; K94-N98 PolarHBondContact O-N 3.31Å; K94-N98 VanDerWaalsContact O-N 3.11Å; K94-N98 PolarHBondContact O-ND2 3.25Å; F96-N98 PolarHBondContact O-N 2.88Å; N98-K100 PolarHBondContact O-N 2.93Å; N98-N101 WeakPolarHBondContact O-CB 3.47Å; N98-N101 PolarHBondContact O-N 3.05Å; N98-N101 PolarHBondContact OD1-ND2 3.13Å; N98-W102 PolarHBondContact O-N 2.69Å
99I95.2Very high93.9Very high0 Ų053.9 Ų53.90%025%0.253CS..Hα-helixtrans-55.6-36.7175-66.1-64.2000111.4L86 Y88 F96 D97 N101 W102 I103 I118 L139L86-I99 HydrophobicContact CB-CD1 3.99Å; L86-I99 HydrophobicContact CD2-CG2 4.23Å; Y88-I99 HydrophobicContact CD1-CD1 4.27Å; Y88-I99 HydrophobicContact CD1-CG1 4.04Å; Y88-I99 HydrophobicContact CG-CG1 4.35Å; F96-I99 VanDerWaalsContact O-CB 3.25Å; F96-I99 WeakPolarHBondContact O-CB 3.25Å; F96-I99 WeakPolarHBondContact O-CG1 3.36Å; F96-I99 PolarHBondContact O-N 3.39Å; D97-I99 PolarHBondContact O-N 2.82Å; I99-N101 VanDerWaalsContact C-N 3.28Å; I99-N101 PolarHBondContact O-N 3.05Å; I99-W102 WeakPolarHBondContact O-CB 3.47Å; I99-W102 PolarHBondContact O-N 2.9Å; I99-W102 VanDerWaalsContact O-N 3.13Å; I99-I103 HydrophobicContact CG2-CD1 3.93Å; I99-I103 HydrophobicContact CG2-CG1 4.27Å; I99-I103 WeakPolarHBondContact O-CG1 3.3Å; I99-I103 PolarHBondContact O-N 2.99Å; I99-I118 HydrophobicContact CG2-CD1 4.04Å; I99-I118 HydrophobicContact CG2-CG1 4.37Å; I99-L139 HydrophobicContact CB-CD2 4.03Å; I99-L139 HydrophobicContact CG2-CD2 3.74Å
100K93.6Very high93.4Very high93 Ų9354.3 Ų54.340%0.40426%0.258SS..Hα-helixtrans-60.8-38.5177-62.5-177.4179.1175.10112.3D97 N98 R104 L139 Y143D97-K100 PolarHBondContact O-N 2.78Å; N98-K100 PolarHBondContact O-N 2.93Å; K100-R104 WeakPolarHBondContact O-CG 3.27Å; K100-R104 PolarHBondContact O-N 3.33Å; K100-L139 HydrophobicContact CG-CD1 4.34Å; K100-Y143 HydrophobicContact CG-CE2 4.29Å
101N91.8Very high92.9Very high68 Ų6857.3 Ų57.336%0.36428%0.279SS..Hα-helixtrans-70.4-39.8176.5-62-34.5000110.8N98 I99 I103 R104 N105N98-N101 WeakPolarHBondContact O-CB 3.47Å; N98-N101 PolarHBondContact O-N 3.05Å; N98-N101 PolarHBondContact OD1-ND2 3.13Å; I99-N101 VanDerWaalsContact C-N 3.28Å; I99-N101 PolarHBondContact O-N 3.05Å; N101-I103 VanDerWaalsContact C-N 3.34Å; N101-I103 PolarHBondContact O-N 3.25Å; N101-R104 PolarHBondContact O-N 3.1Å; N101-N105 VanDerWaalsContact O-CG 3.29Å; N101-N105 PolarHBondContact O-N 2.76Å; N101-N105 VanDerWaalsContact O-N 3.07Å; N101-N105 PolarHBondContact O-OD1 2.8Å
102W91.8Very high92.3Very high17 Ų1762.2 Ų62.26%0.06431%0.313CS..Hα-helixtrans-61.7-40.6174.9-70.1115.8000112.3I14 D16 I73 L86 N98 I99 N105 I106I14-W102 HydrophobicContact CB-CE3 4.2Å; I14-W102 HydrophobicContact CB-CZ3 4.45Å; I14-W102 HydrophobicContact CD1-CB 3.97Å; I14-W102 HydrophobicContact CD1-CD2 4.38Å; I14-W102 HydrophobicContact CD1-CE3 3.96Å; I14-W102 HydrophobicContact CD1-CG 4.44Å; I14-W102 HydrophobicContact CG1-CE3 4.43Å; D16-W102 PolarHBondContact OD1-NE1 2.78Å; I73-W102 HydrophobicContact CD1-CH2 3.94Å; I73-W102 HydrophobicContact CD1-CZ3 3.58Å; I73-W102 HydrophobicContact CG1-CZ3 4.45Å; L86-W102 HydrophobicContact CD2-CB 3.78Å; N98-W102 PolarHBondContact O-N 2.69Å; I99-W102 WeakPolarHBondContact O-CB 3.47Å; I99-W102 PolarHBondContact O-N 2.9Å; I99-W102 VanDerWaalsContact O-N 3.13Å; W102-N105 PolarHBondContact O-N 2.99Å; W102-I106 WeakPolarHBondContact O-CG1 3.31Å; W102-I106 PolarHBondContact O-N 2.88Å; W102-I106 VanDerWaalsContact O-N 3.09Å
103I92.7Very high91.8Very high5 Ų562.8 Ų62.83%0.02632%0.316CS..Hα-helixtrans-62.6-46.4175.6-68.6173.4000111.2L86 I99 N101 N105 I106 E107 I118 Y143L86-I103 HydrophobicContact CD2-CD1 4.5Å; L86-I103 HydrophobicContact CD2-CG1 3.55Å; I99-I103 HydrophobicContact CG2-CD1 3.93Å; I99-I103 HydrophobicContact CG2-CG1 4.27Å; I99-I103 WeakPolarHBondContact O-CG1 3.3Å; I99-I103 PolarHBondContact O-N 2.99Å; N101-I103 VanDerWaalsContact C-N 3.34Å; N101-I103 PolarHBondContact O-N 3.25Å; I103-N105 VanDerWaalsContact C-N 3.29Å; I103-N105 PolarHBondContact O-N 3.47Å; I103-I106 WeakPolarHBondContact O-CA 3.31Å; I103-I106 WeakPolarHBondContact O-CB 3.49Å; I103-I106 PolarHBondContact O-N 2.84Å; I103-E107 HydrophobicContact CG2-CG 4.42Å; I103-E107 WeakPolarHBondContact O-CG 3.25Å; I103-E107 PolarHBondContact O-N 3.17Å; I103-I118 HydrophobicContact CD1-CD1 4.42Å; I103-Y143 HydrophobicContact CB-CE1 4.45Å; I103-Y143 HydrophobicContact CD1-CD1 3.88Å; I103-Y143 HydrophobicContact CD1-CD2 3.45Å; I103-Y143 VanDerWaalsContact CD1-CD2 3.45Å; I103-Y143 HydrophobicContact CD1-CE1 4.11Å; I103-Y143 HydrophobicContact CD1-CE2 3.71Å; I103-Y143 HydrophobicContact CD1-CG 3.55Å; I103-Y143 HydrophobicContact CG2-CD1 3.78Å; I103-Y143 HydrophobicContact CG2-CE1 3.79Å; I103-Y143 HydrophobicContact CG2-CG 4.48Å
104R90.9Very high91.7Very high135 Ų13559.5 Ų59.551%0.50930%0.301SS..Hα-helixtrans-56.3-43.9175.8-71.3173.4-176.6164.7-1.5111.9K100 N101 I106 E107 E108K100-R104 WeakPolarHBondContact O-CG 3.27Å; K100-R104 PolarHBondContact O-N 3.33Å; N101-R104 PolarHBondContact O-N 3.1Å; R104-I106 VanDerWaalsContact C-N 3.28Å; R104-I106 PolarHBondContact O-N 3.19Å; R104-E107 PolarHBondContact O-N 3.43Å; R104-E107 VanDerWaalsContact O-N 3.13Å; R104-E108 WeakPolarHBondContact O-CG 3.28Å; R104-E108 PolarHBondContact O-N 2.99Å
105N88Confident91.7Very high50 Ų5054.8 Ų54.827%0.26728%0.282SS..Hα-helixtrans-62.4-35.6176.9-65.6-9.4000112.5N101 W102 I103 H109N101-N105 VanDerWaalsContact O-CG 3.29Å; N101-N105 PolarHBondContact O-N 2.76Å; N101-N105 VanDerWaalsContact O-N 3.07Å; N101-N105 PolarHBondContact O-OD1 2.8Å; W102-N105 PolarHBondContact O-N 2.99Å; I103-N105 VanDerWaalsContact C-N 3.29Å; I103-N105 PolarHBondContact O-N 3.47Å; N105-H109 WeakPolarHBondContact O-CB 3.42Å; N105-H109 PolarHBondContact O-CD2 3.24Å; N105-H109 PolarHBondContact O-N 3.39Å
106I90.4Very high91.7Very high2 Ų257.1 Ų57.11%0.0129%0.292CS..Hα-helixtrans-64.8-47.1173.6-64.3167.7000109.9I14 Y78 I84 L86 W102 I103 R104 E108 H109 A110 V114 K116I14-I106 HydrophobicContact CD1-CD1 3.76Å; I14-I106 HydrophobicContact CD1-CG1 3.89Å; Y78-I106 HydrophobicContact CD1-CG1 4.44Å; Y78-I106 HydrophobicContact CE1-CG1 3.86Å; I84-I106 HydrophobicContact CB-CD1 4.24Å; I84-I106 HydrophobicContact CD1-CB 4.48Å; I84-I106 HydrophobicContact CD1-CD1 4.26Å; I84-I106 HydrophobicContact CD1-CG1 3.94Å; I84-I106 HydrophobicContact CD1-CG2 3.8Å; I84-I106 HydrophobicContact CG2-CD1 3.67Å; I84-I106 HydrophobicContact CG2-CG1 4.21Å; L86-I106 HydrophobicContact CD1-CD1 3.84Å; L86-I106 HydrophobicContact CD2-CD1 3.77Å; L86-I106 HydrophobicContact CG-CD1 3.94Å; W102-I106 WeakPolarHBondContact O-CG1 3.31Å; W102-I106 PolarHBondContact O-N 2.88Å; W102-I106 VanDerWaalsContact O-N 3.09Å; I103-I106 WeakPolarHBondContact O-CA 3.31Å; I103-I106 WeakPolarHBondContact O-CB 3.49Å; I103-I106 PolarHBondContact O-N 2.84Å; R104-I106 VanDerWaalsContact C-N 3.28Å; R104-I106 PolarHBondContact O-N 3.19Å; I106-E108 VanDerWaalsContact C-N 3.25Å; I106-E108 PolarHBondContact O-N 2.8Å; I106-H109 PolarHBondContact O-N 3.34Å; I106-A110 HydrophobicContact CG2-CB 3.72Å; I106-A110 WeakPolarHBondContact O-CA 3.4Å; I106-A110 WeakPolarHBondContact O-CB 3.46Å; I106-A110 PolarHBondContact O-N 2.79Å; I106-V114 HydrophobicContact CG2-CG1 3.86Å; I106-K116 HydrophobicContact CG2-CD 4.29Å
107E90.3Very high91.7Very high119 Ų11956.5 Ų56.556%0.55629%0.289SS*.Hα-helixtrans-62-33.2-179.5-68.7171.617000112.5I103 R104I103-E107 HydrophobicContact CG2-CG 4.42Å; I103-E107 WeakPolarHBondContact O-CG 3.25Å; I103-E107 PolarHBondContact O-N 3.17Å; R104-E107 PolarHBondContact O-N 3.43Å; R104-E107 VanDerWaalsContact O-N 3.13Å
108E89Confident91.8Very high133 Ų13352.8 Ų52.862%0.62127%0.269SS*.Hα-helixtrans-79.6-26.6178.9-72.4178.2-167.700114.3R104 I106R104-E108 WeakPolarHBondContact O-CG 3.28Å; R104-E108 PolarHBondContact O-N 2.99Å; I106-E108 VanDerWaalsContact C-N 3.25Å; I106-E108 PolarHBondContact O-N 2.8Å
109H86.9Confident92Very high81 Ų8151.9 Ų51.938%0.37526%0.264SS..Hα-helixtrans-128.2-20.7-165.9-59.1-34.3000115.7T75 Y78 N105 I106T75-H109 HydrophobicContact CG2-CB 4.36Å; Y78-H109 HydrophobicContact CD2-CB 4.15Å; Y78-H109 HydrophobicContact CG-CB 4.06Å; N105-H109 WeakPolarHBondContact O-CB 3.42Å; N105-H109 PolarHBondContact O-CD2 3.24Å; N105-H109 PolarHBondContact O-N 3.39Å; I106-H109 PolarHBondContact O-N 3.34Å
110A87.6Confident92.1Very high19 Ų1951.9 Ų51.916%0.15726%0.264CS..SBendtrans-92.8168.3178.900000111.7Y78 I84 I106 V114Y78-A110 HydrophobicContact CD1-CB 4.22Å; I84-A110 HydrophobicContact CD1-CB 4.03Å; I106-A110 HydrophobicContact CG2-CB 3.72Å; I106-A110 WeakPolarHBondContact O-CA 3.4Å; I106-A110 WeakPolarHBondContact O-CB 3.46Å; I106-A110 PolarHBondContact O-N 2.79Å; A110-V114 HydrophobicContact CB-CB 4.48Å; A110-V114 HydrophobicContact CB-CG1 3.9Å
111S86.5Confident92.4Very high62 Ų6247.6 Ų47.643%0.43425%0.246SC..  trans-69.1147170.9-166.20000110.2D113 V114S111-D113 WeakPolarHBondContact CB-OD1 3.47Å; S111-D113 PolarHBondContact O-N 2.9Å; S111-D113 PolarHBondContact OG-OD1 3.34Å; S111-V114 WeakPolarHBondContact O-CB 3.41Å; S111-V114 WeakPolarHBondContact O-CG1 3.37Å; S111-V114 PolarHBondContact O-N 3.39Å
112S85.8Confident92.7Very high125 Ų12546.6 Ų46.687%0.87424%0.238SC*.THydrogen-bonded Turntrans-64.9-20-179.254.70000113.5
113D88.3Confident92.9Very high75 Ų7546.4 Ų46.440%0.40124%0.239SC..THydrogen-bonded Turntrans-94.610.7179.569.3-28.3000114.3S111 K176S111-D113 WeakPolarHBondContact CB-OD1 3.47Å; S111-D113 PolarHBondContact O-N 2.9Å; S111-D113 PolarHBondContact OG-OD1 3.34Å; D113-K176 VanDerWaalsContact CB-NZ 3.28Å; D113-K176 IonicContact OD2-NZ 2.67Å; D113-K176 PolarHBondContact OD2-NZ 2.89Å
114V94.5Very high93.1Very high7 Ų748.6 Ų48.64%0.04225%0.251CS..  trans-70.4129.9176.474.20000110.8A81 I84 I106 A110 S111 K116A81-V114 HydrophobicContact CB-CG2 4.42Å; A81-V114 WeakPolarHBondContact O-CG2 3.49Å; I84-V114 HydrophobicContact CD1-CG1 4.23Å; I84-V114 HydrophobicContact CD1-CG2 3.78Å; I84-V114 HydrophobicContact CG1-CG2 3.69Å; I106-V114 HydrophobicContact CG2-CG1 3.86Å; A110-V114 HydrophobicContact CB-CB 4.48Å; A110-V114 HydrophobicContact CB-CG1 3.9Å; S111-V114 WeakPolarHBondContact O-CB 3.41Å; S111-V114 WeakPolarHBondContact O-CG1 3.37Å; S111-V114 PolarHBondContact O-N 3.39Å; V114-K116 HydrophobicContact CG1-CG 4.29Å
115E96.6Very high93.3Very high46 Ų4645.4 Ų45.422%0.21524%0.243CC..EExtended strand (participates in β ladder)trans-73.6141.8173.7-77.8-57125.700111.2M82 G83 I84 I165 D168 I169 N172M82-E115 PolarHBondContact O-N 2.86Å; G83-E115 CarbonylContact C-O 3.53Å; G83-E115 VanDerWaalsContact CA-O 3.26Å; G83-E115 WeakPolarHBondContact CA-O 3.22Å; I84-E115 PolarHBondContact N-O 2.79Å; E115-I165 HydrophobicContact CB-CG1 4.19Å; E115-D168 HydrophobicContact CG-CB 4.01Å; E115-I169 HydrophobicContact CB-CG1 3.85Å; E115-I169 HydrophobicContact CG-CG1 3.88Å; E115-N172 PolarHBondContact OE1-ND2 3.38Å
116K96.4Very high93.6Very high51 Ų5147.5 Ų47.522%0.22226%0.258CS..EExtended strand (participates in β ladder)trans-131.2138.3-173.4-62.1163.9-161.7155.70110.5I84 L86 I106 V114 V145I84-K116 WeakPolarHBondContact O-CA 3.3Å; L86-K116 HydrophobicContact CD1-CB 4.44Å; I106-K116 HydrophobicContact CG2-CD 4.29Å; V114-K116 HydrophobicContact CG1-CG 4.29Å; K116-V145 HydrophobicContact CB-CB 4.29Å; K116-V145 HydrophobicContact CB-CG1 3.64Å; K116-V145 HydrophobicContact CD-CG1 4.17Å
117M97.9Very high93.9Very high1 Ų155.1 Ų55.11%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-141.5136.8174.3178176.2-77.900110.6I84 M85 L86 L119 K146 L148 A161 T164 I165I84-M117 PolarHBondContact O-N 2.99Å; M85-M117 CarbonylContact C-O 3.58Å; M85-M117 WeakPolarHBondContact CA-O 3.42Å; M85-M117 HydrophobicContact CE-SD 4.05Å; L86-M117 WeakPolarHBondContact CD1-O 3.37Å; L86-M117 PolarHBondContact N-O 2.79Å; M117-L119 HydrophobicContact CG-CD2 3.91Å; M117-L119 HydrophobicContact SD-CD2 3.76Å; M117-K146 WeakPolarHBondContact CA-O 3.36Å; M117-K146 HydrophobicContact CE-CB 3.72Å; M117-K146 HydrophobicContact CE-CD 4.02Å; M117-K146 HydrophobicContact CG-CB 4.28Å; M117-L148 HydrophobicContact CE-CD1 4.49Å; M117-L148 HydrophobicContact SD-CD1 4.29Å; M117-A161 HydrophobicContact SD-CB 4.22Å; M117-T164 HydrophobicContact CE-CG2 3.47Å; M117-T164 VanDerWaalsContact CE-CG2 3.47Å; M117-I165 HydrophobicContact CB-CD1 4.21Å
118I98.6Very high94.2Very high0 Ų058.1 Ų58.10%030%0.304CS..EExtended strand (participates in β ladder)trans-96134172.9-60.6173.3000109.2L86 Y88 I99 I103 L139 A140 V145 K146 F147 L148L86-I118 HydrophobicContact CB-CG1 4.46Å; L86-I118 HydrophobicContact CD1-CG1 4.45Å; L86-I118 CarbonylContact O-C 3.59Å; L86-I118 WeakPolarHBondContact O-CA 3.38Å; Y88-I118 HydrophobicContact CD1-CG2 3.89Å; Y88-I118 HydrophobicContact CE1-CG2 3.69Å; I99-I118 HydrophobicContact CG2-CD1 4.04Å; I99-I118 HydrophobicContact CG2-CG1 4.37Å; I103-I118 HydrophobicContact CD1-CD1 4.42Å; I118-L139 HydrophobicContact CD1-CD2 4.19Å; I118-L139 HydrophobicContact CD1-CG 4.3Å; I118-A140 HydrophobicContact CD1-CB 4.38Å; I118-V145 HydrophobicContact CD1-CG2 3.54Å; I118-V145 HydrophobicContact CG1-CG2 3.77Å; I118-K146 PolarHBondContact N-O 3.13Å; I118-F147 HydrophobicContact CB-CD2 4.14Å; I118-F147 HydrophobicContact CG2-CD2 3.91Å; I118-F147 HydrophobicContact CG2-CE2 4.35Å; I118-F147 WeakPolarHBondContact O-CA 3.26Å; I118-L148 PolarHBondContact O-N 3.23Å; I118-L148 VanDerWaalsContact O-N 3.13Å
119L98.8Very high94.6Very high1 Ų155.6 Ų55.61%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-117.9118.9175.4-57.4-175000110.8L24 M85 L86 V87 Y88 M117 N121 L148 T150 A161L24-L119 HydrophobicContact CD1-CD1 3.98Å; M85-L119 HydrophobicContact CB-CD1 4.37Å; M85-L119 HydrophobicContact CE-CD1 3.78Å; M85-L119 HydrophobicContact CE-CD2 4.33Å; M85-L119 HydrophobicContact CE-CG 4.38Å; L86-L119 PolarHBondContact O-N 2.84Å; V87-L119 WeakPolarHBondContact CA-O 3.46Å; V87-L119 HydrophobicContact CG1-CB 4.44Å; V87-L119 HydrophobicContact CG2-CB 4.33Å; V87-L119 HydrophobicContact CG2-CD1 4.21Å; Y88-L119 WeakPolarHBondContact CD1-O 3.29Å; Y88-L119 PolarHBondContact N-O 2.82Å; M117-L119 HydrophobicContact CG-CD2 3.91Å; M117-L119 HydrophobicContact SD-CD2 3.76Å; L119-N121 PolarHBondContact O-N 2.85Å; L119-L148 VanDerWaalsContact CA-O 3.3Å; L119-L148 WeakPolarHBondContact CA-O 3.39Å; L119-L148 HydrophobicContact CD2-CB 4.1Å; L119-T150 HydrophobicContact CD1-CG2 4.46Å; L119-T150 HydrophobicContact CD2-CG2 4.06Å; L119-A161 HydrophobicContact CD1-CB 4.32Å; L119-A161 HydrophobicContact CD2-CB 3.76Å
120G98.6Very high95.1Very high0 Ų056.8 Ų56.80%030%0.295CS..EExtended strand (participates in β ladder)trans-86.691.2166.400000110.3Y88 L148 E149 T150Y88-G120 VanDerWaalsContact CZ-CA 3.48Å; G120-L148 PolarHBondContact N-O 2.93Å; G120-E149 CarbonylContact O-C 3.6Å; G120-E149 VanDerWaalsContact O-CA 3.24Å; G120-E149 WeakPolarHBondContact O-CA 3.4Å; G120-T150 PolarHBondContact O-N 3.01Å
121N98.5Very high95.6Very high3 Ų355.9 Ų55.92%0.01629%0.288CS..EExtended strand (participates in β ladder)trans-82.5164.8-175.2-169.930.9000112.4V19 L24 V87 Y88 I90 L119 T150 A152V19-N121 PolarHBondContact O-ND2 3.34Å; L24-N121 HydrophobicContact CD1-CB 4.3Å; V87-N121 HydrophobicContact CG1-CB 3.77Å; Y88-N121 WeakPolarHBondContact O-CB 3.49Å; Y88-N121 PolarHBondContact O-N 3.17Å; I90-N121 WeakPolarHBondContact CG1-O 3.35Å; I90-N121 PolarHBondContact N-O 3.09Å; L119-N121 PolarHBondContact O-N 2.85Å; N121-T150 CarbonylContact C-O 3.56Å; N121-T150 VanDerWaalsContact CA-O 3.26Å; N121-T150 WeakPolarHBondContact CA-O 3.2Å; N121-T150 PolarHBondContact OD1-O 3.39Å; N121-T150 PolarHBondContact OD1-OG1 2.67Å; N121-A152 PolarHBondContact OD1-N 3.44Å
122K97.8Very high96.2Very high46 Ų4655.2 Ų55.220%0.228%0.283CS..  trans65.633.5-178-45.9-170-164.2167.60113.3G18 D89 I90 D124 M125 T150G18-K122 WeakPolarHBondContact O-CE 3.48Å; G18-K122 PolarHBondContact O-NZ 3.47Å; D89-K122 WeakPolarHBondContact OD2-CD 3.24Å; D89-K122 VanDerWaalsContact OD2-CE 3.23Å; D89-K122 WeakPolarHBondContact OD2-CE 3.3Å; D89-K122 IonicContact OD2-NZ 2.68Å; D89-K122 PolarHBondContact OD2-NZ 2.89Å; I90-K122 WeakPolarHBondContact CD1-O 3.29Å; I90-K122 HydrophobicContact CG1-CB 4.5Å; I90-K122 VanDerWaalsContact CG1-O 3.29Å; I90-K122 WeakPolarHBondContact CG1-O 3.46Å; K122-D124 PolarHBondContact O-N 3.17Å; K122-M125 HydrophobicContact CB-CG 4.25Å; K122-M125 HydrophobicContact CB-SD 4.18Å; K122-M125 HydrophobicContact CD-CE 3.96Å; K122-M125 HydrophobicContact CD-SD 4.02Å; K122-M125 WeakPolarHBondContact O-CB 3.39Å; K122-M125 PolarHBondContact O-N 2.88Å; K122-T150 PolarHBondContact N-O 3.11Å
123C97.5Very high96.8Very high13 Ų1354 Ų549%0.08826%0.262CS..THydrogen-bonded Turntrans-62.3-12.7179.266.40000114.1M125 E149 T150C123-M125 PolarHBondContact O-N 3.33Å; C123-E149 HydrophobicContact CB-CB 3.92Å; C123-T150 PolarHBondContact N-O 3.13Å; C123-T150 VanDerWaalsContact N-O 3.12Å; C123-T150 PolarHBondContact SG-O 3.13Å
124D96.8Very high97.2Very high51 Ų5155.8 Ų55.827%0.27327%0.272SS..THydrogen-bonded Turntrans-67.4-17.1168.359.7-79.5000114.2K122 T126 S151 K153K122-D124 PolarHBondContact O-N 3.17Å; D124-T126 VanDerWaalsContact C-N 3.31Å; D124-T126 PolarHBondContact O-N 3.35Å; D124-S151 VanDerWaalsContact CG-OG 3.29Å; D124-S151 VanDerWaalsContact OD1-CB 3.3Å; D124-S151 WeakPolarHBondContact OD1-CB 3.26Å; D124-S151 PolarHBondContact OD1-OG 2.97Å; D124-K153 WeakPolarHBondContact OD2-CD 3.49Å
125M95Very high97.4Very high69 Ų6959.6 Ų59.634%0.3429%0.285SS..  trans-89.457179.7-61.1-171.3-17900112.2K122 C123 D127 R128 R129K122-M125 HydrophobicContact CB-CG 4.25Å; K122-M125 HydrophobicContact CB-SD 4.18Å; K122-M125 HydrophobicContact CD-CE 3.96Å; K122-M125 HydrophobicContact CD-SD 4.02Å; K122-M125 WeakPolarHBondContact O-CB 3.39Å; K122-M125 PolarHBondContact O-N 2.88Å; C123-M125 PolarHBondContact O-N 3.33Å; M125-D127 VanDerWaalsContact C-N 3.29Å; M125-D127 PolarHBondContact O-N 2.96Å; M125-R128 PolarHBondContact O-N 3.34Å; M125-R128 VanDerWaalsContact O-N 3.14Å; M125-R129 PolarHBondContact O-N 3.35Å
126T94.1Very high97.5Very high94 Ų9457.4 Ų57.458%0.57728%0.275SS*.G310 helixtrans-55.6-41.2-176.350.80000113.2D124 R128 R129D124-T126 VanDerWaalsContact C-N 3.31Å; D124-T126 PolarHBondContact O-N 3.35Å; T126-R128 PolarHBondContact O-N 3.03Å; T126-R129 VanDerWaalsContact O-CB 3.3Å; T126-R129 WeakPolarHBondContact O-CB 3.2Å; T126-R129 PolarHBondContact O-N 2.85Å
127D96.1Very high97.6Very high161 Ų16158.2 Ų58.286%0.86128%0.279SS*.G310 helixtrans-71.3-18-176-53.9-28.9000113.5M125M125-D127 VanDerWaalsContact C-N 3.29Å; M125-D127 PolarHBondContact O-N 2.96Å
128R96Very high97.6Very high182 Ų18264.6 Ų64.669%0.68731%0.307SS*.G310 helixtrans-110.28.8179.6-60.5-172.6-177.7-171.40.5112.4S91 M125 T126 Q130S91-R128 VanDerWaalsContact CA-O 3.26Å; S91-R128 WeakPolarHBondContact CA-O 3.5Å; S91-R128 VanDerWaalsContact CB-O 3.24Å; S91-R128 WeakPolarHBondContact CB-O 3.46Å; M125-R128 PolarHBondContact O-N 3.34Å; M125-R128 VanDerWaalsContact O-N 3.14Å; T126-R128 PolarHBondContact O-N 3.03Å; R128-Q130 PolarHBondContact O-N 3.31Å
129R98.2Very high97.5Very high80 Ų8065 Ų6530%0.30231%0.309SS..  trans-61.4124.3-177.6-179.9177.7-75.5-90.711.8110.3I90 M125 T126 V131 E149I90-R129 HydrophobicContact CD1-CB 4.12Å; I90-R129 HydrophobicContact CD1-CG 4.1Å; M125-R129 PolarHBondContact O-N 3.35Å; T126-R129 VanDerWaalsContact O-CB 3.3Å; T126-R129 WeakPolarHBondContact O-CB 3.2Å; T126-R129 PolarHBondContact O-N 2.85Å; R129-V131 VanDerWaalsContact CG-O 3.22Å; R129-V131 WeakPolarHBondContact CG-O 3.3Å; R129-V131 PolarHBondContact NH1-O 3.09Å; R129-E149 IonicContact CZ-OE1 3.69Å; R129-E149 IonicContact CZ-OE2 3.34Å; R129-E149 IonicContact NH1-OE1 3.69Å; R129-E149 PolarHBondContact NH1-OE1 3.27Å; R129-E149 IonicContact NH1-OE2 2.78Å; R129-E149 IonicContact NH2-OE1 2.67Å; R129-E149 PolarHBondContact NH2-OE1 3.47Å; R129-E149 IonicContact NH2-OE2 3.32Å; R129-E149 PolarHBondContact NH2-OE2 3.36Å
130Q98.3Very high97.4Very high107 Ų10765.1 Ų65.150%0.531%0.311SS..  trans-108.9-25.8173.1-62.9-1784.300111.6I90 S91 E93 R128I90-Q130 PolarHBondContact O-N 2.84Å; S91-Q130 PolarHBondContact O-NE2 3.19Å; S91-Q130 VanDerWaalsContact O-NE2 3.1Å; S91-Q130 PolarHBondContact O-OE1 3.17Å; E93-Q130 HydrophobicContact CB-CB 4.31Å; R128-Q130 PolarHBondContact O-N 3.31Å
131V98.2Very high97.4Very high0 Ų071.4 Ų71.40%034%0.343CS..SBendtrans-113.3118.3179.6-173.30000109Y88 I90 F96 R129 R135Y88-V131 HydrophobicContact CE2-CB 4.06Å; Y88-V131 HydrophobicContact CE2-CG1 3.84Å; Y88-V131 HydrophobicContact CE2-CG2 4.41Å; I90-V131 PolarHBondContact O-N 3.42Å; F96-V131 HydrophobicContact CB-CG1 4.37Å; F96-V131 HydrophobicContact CB-CG2 3.72Å; F96-V131 HydrophobicContact CD1-CG1 4.28Å; F96-V131 HydrophobicContact CD1-CG2 4.43Å; F96-V131 HydrophobicContact CD2-CG1 3.71Å; F96-V131 HydrophobicContact CE2-CG1 3.97Å; F96-V131 HydrophobicContact CG-CG1 3.86Å; F96-V131 HydrophobicContact CG-CG2 4.02Å; F96-V131 HydrophobicContact CZ-CG1 4.37Å; R129-V131 VanDerWaalsContact CG-O 3.22Å; R129-V131 WeakPolarHBondContact CG-O 3.3Å; R129-V131 PolarHBondContact NH1-O 3.09Å; V131-R135 HydrophobicContact CG1-CB 4.03Å
132S98.2Very high97.3Very high48 Ų4876.6 Ų76.634%0.33637%0.371SS..  trans-70.3155.1174.164.70000111.3D134 R135 G136S132-D134 VanDerWaalsContact C-N 3.27Å; S132-D134 PolarHBondContact O-N 3.03Å; S132-R135 PolarHBondContact O-N 3.04Å; S132-R135 WeakPolarHBondContact OG-CG 3.11Å; S132-R135 PolarHBondContact OG-N 3.4Å; S132-G136 PolarHBondContact O-N 2.99Å
133K98Very high97.2Very high98 Ų9878.2 Ų78.243%0.42638%0.376SS..Hα-helixtrans-56.8-44.1175.2-167-177.4-176.5-1220111.4R135 G136 E137 F147 E149K133-R135 VanDerWaalsContact C-N 3.27Å; K133-R135 PolarHBondContact O-N 2.84Å; K133-G136 WeakPolarHBondContact O-CA 3.44Å; K133-G136 PolarHBondContact O-N 2.81Å; K133-E137 WeakPolarHBondContact CE-OE1 3.22Å; K133-E137 HydrophobicContact CG-CG 4.45Å; K133-E137 IonicContact NZ-OE1 3.32Å; K133-E137 PolarHBondContact NZ-OE1 3.09Å; K133-E137 PolarHBondContact O-N 2.91Å; K133-F147 HydrophobicContact CG-CE1 3.92Å; K133-E149 WeakPolarHBondContact CA-OE1 3.23Å; K133-E149 HydrophobicContact CG-CG 4.12Å
134D98.3Very high97.1Very high114 Ų11481 Ų8161%0.6141%0.407SS*.Hα-helixtrans-58.4-34.9178.6-54.1-10.4000113.1S132 K138S132-D134 VanDerWaalsContact C-N 3.27Å; S132-D134 PolarHBondContact O-N 3.03Å; D134-K138 WeakPolarHBondContact O-CB 3.46Å; D134-K138 PolarHBondContact O-N 3.12Å
135R98.1Very high97Very high86 Ų8679.9 Ų79.933%0.32540%0.402SS..Hα-helixtrans-66.6-40.6174.5-79.1179.167.3176.23.6111.2E93 F96 V131 S132 K133 L139E93-R135 IonicContact OE1-CZ 2.89Å; E93-R135 IonicContact OE1-NH1 2.69Å; E93-R135 PolarHBondContact OE1-NH1 2.98Å; E93-R135 IonicContact OE1-NH2 3.46Å; E93-R135 PolarHBondContact OE1-NH2 2.83Å; F96-R135 HydrophobicContact CZ-CB 4.12Å; V131-R135 HydrophobicContact CG1-CB 4.03Å; S132-R135 PolarHBondContact O-N 3.04Å; S132-R135 WeakPolarHBondContact OG-CG 3.11Å; S132-R135 PolarHBondContact OG-N 3.4Å; K133-R135 VanDerWaalsContact C-N 3.27Å; K133-R135 PolarHBondContact O-N 2.84Å; R135-L139 WeakPolarHBondContact O-CB 3.43Å; R135-L139 PolarHBondContact O-N 3.47Å
136G97.8Very high97.1Very high0 Ų080.8 Ų80.80%040%0.404CS..Hα-helixtrans-63.2-48.9174.600000112.3S132 K133 L139 A140S132-G136 PolarHBondContact O-N 2.99Å; K133-G136 WeakPolarHBondContact O-CA 3.44Å; K133-G136 PolarHBondContact O-N 2.81Å; G136-L139 PolarHBondContact O-N 2.9Å; G136-A140 PolarHBondContact O-N 2.92Å
137E98.1Very high97.3Very high68 Ų6877.6 Ų77.632%0.31838%0.382SS..Hα-helixtrans-60.3-46.2177-71.6176.3178.100111.6K133 L139 A140 I141 F147K133-E137 WeakPolarHBondContact CE-OE1 3.22Å; K133-E137 HydrophobicContact CG-CG 4.45Å; K133-E137 IonicContact NZ-OE1 3.32Å; K133-E137 PolarHBondContact NZ-OE1 3.09Å; K133-E137 PolarHBondContact O-N 2.91Å; E137-L139 PolarHBondContact O-N 3.42Å; E137-A140 WeakPolarHBondContact O-CB 3.38Å; E137-A140 PolarHBondContact O-N 3.32Å; E137-I141 WeakPolarHBondContact O-CG1 3.43Å; E137-I141 PolarHBondContact O-N 3.27Å; E137-F147 HydrophobicContact CB-CD1 4.34Å; E137-F147 HydrophobicContact CG-CD1 3.46Å; E137-F147 VanDerWaalsContact CG-CD1 3.46Å; E137-F147 HydrophobicContact CG-CE1 3.73Å; E137-F147 HydrophobicContact CG-CG 4.49Å
138K98.3Very high97.4Very high135 Ų13571.6 Ų71.659%0.58735%0.35SS*.Hα-helixtrans-59.7-45.5176.8-176.8173.9-179.4174.80112.1D134 A140 I141 D142D134-K138 WeakPolarHBondContact O-CB 3.46Å; D134-K138 PolarHBondContact O-N 3.12Å; K138-A140 VanDerWaalsContact C-N 3.28Å; K138-A140 PolarHBondContact O-N 2.58Å; K138-I141 PolarHBondContact O-N 3.3Å; K138-D142 VanDerWaalsContact O-CG 3.26Å; K138-D142 PolarHBondContact O-N 3.06Å
139L97.5Very high97.5Very high9 Ų963.9 Ų63.95%0.04732%0.322CS..Hα-helixtrans-59.7-42.1176.9-172.871.4000111.2F96 I99 K100 I118 R135 G136 E137 D142 Y143F96-L139 HydrophobicContact CD2-CD2 4.18Å; F96-L139 HydrophobicContact CE2-CB 4.11Å; F96-L139 HydrophobicContact CE2-CD2 3.53Å; F96-L139 HydrophobicContact CE2-CG 4.4Å; F96-L139 HydrophobicContact CZ-CB 4.04Å; F96-L139 HydrophobicContact CZ-CD2 3.84Å; F96-L139 HydrophobicContact CZ-CG 4.4Å; I99-L139 HydrophobicContact CB-CD2 4.03Å; I99-L139 HydrophobicContact CG2-CD2 3.74Å; K100-L139 HydrophobicContact CG-CD1 4.34Å; I118-L139 HydrophobicContact CD1-CD2 4.19Å; I118-L139 HydrophobicContact CD1-CG 4.3Å; R135-L139 WeakPolarHBondContact O-CB 3.43Å; R135-L139 PolarHBondContact O-N 3.47Å; G136-L139 PolarHBondContact O-N 2.9Å; E137-L139 PolarHBondContact O-N 3.42Å; L139-D142 PolarHBondContact O-N 2.88Å; L139-Y143 HydrophobicContact CD1-CD2 4.02Å; L139-Y143 HydrophobicContact CD1-CE2 3.66Å; L139-Y143 HydrophobicContact CG-CD2 4.19Å; L139-Y143 HydrophobicContact CG-CE2 4.28Å; L139-Y143 VanDerWaalsContact O-CD2 3.31Å; L139-Y143 WeakPolarHBondContact O-CD2 3.41Å; L139-Y143 PolarHBondContact O-N 2.89Å
140A97.1Very high97.5Very high4 Ų460.1 Ų60.13%0.03331%0.307CS..Hα-helixtrans-63.1-42.5176.700000112.8I118 G136 E137 K138 Y143 G144 V145 F147I118-A140 HydrophobicContact CD1-CB 4.38Å; G136-A140 PolarHBondContact O-N 2.92Å; E137-A140 WeakPolarHBondContact O-CB 3.38Å; E137-A140 PolarHBondContact O-N 3.32Å; K138-A140 VanDerWaalsContact C-N 3.28Å; K138-A140 PolarHBondContact O-N 2.58Å; A140-Y143 CarbonylContact O-C 3.56Å; A140-Y143 PolarHBondContact O-N 3.41Å; A140-G144 PolarHBondContact O-N 2.9Å; A140-V145 CarbonylContact C-O 3.58Å; A140-V145 HydrophobicContact CB-CG2 4.09Å; A140-V145 VanDerWaalsContact CB-O 3.22Å; A140-V145 WeakPolarHBondContact CB-O 3.36Å; A140-V145 PolarHBondContact O-N 3.2Å; A140-F147 HydrophobicContact CB-CB 3.5Å; A140-F147 VanDerWaalsContact CB-CB 3.5Å; A140-F147 HydrophobicContact CB-CG 4.43Å
141I97.6Very high97.5Very high132 Ų13255 Ų5568%0.67728%0.283SS*.Hα-helixtrans-60.6-46.5175.1-68.3164.3000110.7E137 K138 Y143 G144E137-I141 WeakPolarHBondContact O-CG1 3.43Å; E137-I141 PolarHBondContact O-N 3.27Å; K138-I141 PolarHBondContact O-N 3.3Å; I141-Y143 PolarHBondContact O-N 3.27Å; I141-G144 PolarHBondContact O-N 2.82Å
142D96.5Very high97.4Very high112 Ų11255.1 Ų55.160%0.59929%0.285SS*.Hα-helixtrans-58.6-32.3-179-69.9-17000112.3K138 L139K138-D142 VanDerWaalsContact O-CG 3.26Å; K138-D142 PolarHBondContact O-N 3.06Å; L139-D142 PolarHBondContact O-N 2.88Å
143Y95.1Very high97.2Very high80 Ų8058.6 Ų58.631%0.31429%0.293SS..Hα-helixtrans-99.8-0.8178-73.4-74000114.4K100 I103 L139 A140 I141 V145K100-Y143 HydrophobicContact CG-CE2 4.29Å; I103-Y143 HydrophobicContact CB-CE1 4.45Å; I103-Y143 HydrophobicContact CD1-CD1 3.88Å; I103-Y143 HydrophobicContact CD1-CD2 3.45Å; I103-Y143 VanDerWaalsContact CD1-CD2 3.45Å; I103-Y143 HydrophobicContact CD1-CE1 4.11Å; I103-Y143 HydrophobicContact CD1-CE2 3.71Å; I103-Y143 HydrophobicContact CD1-CG 3.55Å; I103-Y143 HydrophobicContact CG2-CD1 3.78Å; I103-Y143 HydrophobicContact CG2-CE1 3.79Å; I103-Y143 HydrophobicContact CG2-CG 4.48Å; L139-Y143 HydrophobicContact CD1-CD2 4.02Å; L139-Y143 HydrophobicContact CD1-CE2 3.66Å; L139-Y143 HydrophobicContact CG-CD2 4.19Å; L139-Y143 HydrophobicContact CG-CE2 4.28Å; L139-Y143 VanDerWaalsContact O-CD2 3.31Å; L139-Y143 WeakPolarHBondContact O-CD2 3.41Å; L139-Y143 PolarHBondContact O-N 2.89Å; A140-Y143 CarbonylContact O-C 3.56Å; A140-Y143 PolarHBondContact O-N 3.41Å; I141-Y143 PolarHBondContact O-N 3.27Å; Y143-V145 VanDerWaalsContact C-N 3.32Å; Y143-V145 PolarHBondContact O-N 2.9Å
144G95.1Very high97.1Very high72 Ų7257.6 Ų57.674%0.74230%0.299SS*.THydrogen-bonded Turntrans62.134.8-177.100000114A140 I141A140-G144 PolarHBondContact O-N 2.9Å; I141-G144 PolarHBondContact O-N 2.82Å
145V95.8Very high96.9Very high26 Ų2653.5 Ų53.516%0.15828%0.283CS..  trans-117.3159.8-179.1-59.80000111.2K116 I118 A140 Y143K116-V145 HydrophobicContact CB-CB 4.29Å; K116-V145 HydrophobicContact CB-CG1 3.64Å; K116-V145 HydrophobicContact CD-CG1 4.17Å; I118-V145 HydrophobicContact CD1-CG2 3.54Å; I118-V145 HydrophobicContact CG1-CG2 3.77Å; A140-V145 CarbonylContact C-O 3.58Å; A140-V145 HydrophobicContact CB-CG2 4.09Å; A140-V145 VanDerWaalsContact CB-O 3.22Å; A140-V145 WeakPolarHBondContact CB-O 3.36Å; A140-V145 PolarHBondContact O-N 3.2Å; Y143-V145 VanDerWaalsContact C-N 3.32Å; Y143-V145 PolarHBondContact O-N 2.9Å
146K95.9Very high96.9Very high89 Ų8953.6 Ų53.639%0.38729%0.29SS..EExtended strand (participates in β ladder)trans-76.6154.2176.6-67.3-171.1-178.61790112M117 I118 T164 D168M117-K146 WeakPolarHBondContact CA-O 3.36Å; M117-K146 HydrophobicContact CE-CB 3.72Å; M117-K146 HydrophobicContact CE-CD 4.02Å; M117-K146 HydrophobicContact CG-CB 4.28Å; I118-K146 PolarHBondContact N-O 3.13Å; K146-T164 HydrophobicContact CD-CG2 3.8Å; K146-D168 VanDerWaalsContact CD-OD2 3.28Å; K146-D168 WeakPolarHBondContact CD-OD2 3.42Å; K146-D168 WeakPolarHBondContact CE-OD2 3.24Å; K146-D168 IonicContact NZ-OD1 2.61Å; K146-D168 PolarHBondContact NZ-OD1 2.88Å; K146-D168 IonicContact NZ-OD2 2.67Å; K146-D168 PolarHBondContact NZ-OD2 2.91Å
147F98.4Very high96.9Very high26 Ų2655.9 Ų55.911%0.11430%0.302CS..EExtended strand (participates in β ladder)trans-134.4138.8177.5173.2-104.1000112.2Y88 I118 K133 E137 A140 E149Y88-F147 AromaticContact CE1-CE2 3.92Å; Y88-F147 HydrophobicContact CE1-CE2 3.92Å; Y88-F147 VanDerWaalsContact OH-CE2 3.31Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.49Å; I118-F147 HydrophobicContact CB-CD2 4.14Å; I118-F147 HydrophobicContact CG2-CD2 3.91Å; I118-F147 HydrophobicContact CG2-CE2 4.35Å; I118-F147 WeakPolarHBondContact O-CA 3.26Å; K133-F147 HydrophobicContact CG-CE1 3.92Å; E137-F147 HydrophobicContact CB-CD1 4.34Å; E137-F147 HydrophobicContact CG-CD1 3.46Å; E137-F147 VanDerWaalsContact CG-CD1 3.46Å; E137-F147 HydrophobicContact CG-CE1 3.73Å; E137-F147 HydrophobicContact CG-CG 4.49Å; A140-F147 HydrophobicContact CB-CB 3.5Å; A140-F147 VanDerWaalsContact CB-CB 3.5Å; A140-F147 HydrophobicContact CB-CG 4.43Å; F147-E149 HydrophobicContact CE1-CG 3.96Å; F147-E149 HydrophobicContact CZ-CG 3.59Å
148L98.5Very high96.9Very high35 Ų3552.8 Ų52.818%0.18329%0.288CS..EExtended strand (participates in β ladder)trans-140.1143.7167.6-70.4173.7000110.1M117 I118 L119 G120 T150 E160 A161M117-L148 HydrophobicContact CE-CD1 4.49Å; M117-L148 HydrophobicContact SD-CD1 4.29Å; I118-L148 PolarHBondContact O-N 3.23Å; I118-L148 VanDerWaalsContact O-N 3.13Å; L119-L148 VanDerWaalsContact CA-O 3.3Å; L119-L148 WeakPolarHBondContact CA-O 3.39Å; L119-L148 HydrophobicContact CD2-CB 4.1Å; G120-L148 PolarHBondContact N-O 2.93Å; L148-T150 HydrophobicContact CB-CG2 4.5Å; L148-E160 HydrophobicContact CD1-CG 4.28Å; L148-A161 HydrophobicContact CD1-CB 3.97Å
149E98.5Very high96.9Very high21 Ų2150.9 Ų50.910%0.09828%0.281CS..EExtended strand (participates in β ladder)trans-85.9137.5161.2-72.2-161.5159.900109.8G120 C123 R129 K133 F147 N157G120-E149 CarbonylContact O-C 3.6Å; G120-E149 VanDerWaalsContact O-CA 3.24Å; G120-E149 WeakPolarHBondContact O-CA 3.4Å; C123-E149 HydrophobicContact CB-CB 3.92Å; R129-E149 IonicContact CZ-OE1 3.69Å; R129-E149 IonicContact CZ-OE2 3.34Å; R129-E149 IonicContact NH1-OE1 3.69Å; R129-E149 PolarHBondContact NH1-OE1 3.27Å; R129-E149 IonicContact NH1-OE2 2.78Å; R129-E149 IonicContact NH2-OE1 2.67Å; R129-E149 PolarHBondContact NH2-OE1 3.47Å; R129-E149 IonicContact NH2-OE2 3.32Å; R129-E149 PolarHBondContact NH2-OE2 3.36Å; K133-E149 WeakPolarHBondContact CA-OE1 3.23Å; K133-E149 HydrophobicContact CG-CG 4.12Å; F147-E149 HydrophobicContact CE1-CG 3.96Å; F147-E149 HydrophobicContact CZ-CG 3.59Å; E149-N157 VanDerWaalsContact O-CB 3.29Å; E149-N157 WeakPolarHBondContact O-CB 3.49Å; E149-N157 PolarHBondContact O-ND2 3.38Å
150T98.6Very high96.9Very high0 Ų055.4 Ų55.40%030%0.302CS..EExtended strand (participates in β ladder)trans-131.3156.4-17759.10000111.5L119 G120 N121 K122 C123 L148 L156 N157 A161L119-T150 HydrophobicContact CD1-CG2 4.46Å; L119-T150 HydrophobicContact CD2-CG2 4.06Å; G120-T150 PolarHBondContact O-N 3.01Å; N121-T150 CarbonylContact C-O 3.56Å; N121-T150 VanDerWaalsContact CA-O 3.26Å; N121-T150 WeakPolarHBondContact CA-O 3.2Å; N121-T150 PolarHBondContact OD1-O 3.39Å; N121-T150 PolarHBondContact OD1-OG1 2.67Å; K122-T150 PolarHBondContact N-O 3.11Å; C123-T150 PolarHBondContact N-O 3.13Å; C123-T150 VanDerWaalsContact N-O 3.12Å; C123-T150 PolarHBondContact SG-O 3.13Å; L148-T150 HydrophobicContact CB-CG2 4.5Å; T150-L156 WeakPolarHBondContact CA-O 3.4Å; T150-N157 HydrophobicContact CG2-CB 4.07Å; T150-A161 HydrophobicContact CG2-CB 4.26Å
151S98Very high96.9Very high0 Ų055.2 Ų55.20%030%0.301CS..  trans-133.7104.5169.4170.70000109D124 K153 S154 G155 L156D124-S151 VanDerWaalsContact CG-OG 3.29Å; D124-S151 VanDerWaalsContact OD1-CB 3.3Å; D124-S151 WeakPolarHBondContact OD1-CB 3.26Å; D124-S151 PolarHBondContact OD1-OG 2.97Å; S151-K153 PolarHBondContact O-N 3.27Å; S151-K153 PolarHBondContact OG-N 2.91Å; S151-S154 WeakPolarHBondContact CB-OG 3.4Å; S151-S154 PolarHBondContact O-N 3.03Å; S151-S154 PolarHBondContact OG-N 2.75Å; S151-S154 PolarHBondContact OG-OG 3Å; S151-G155 CarbonylContact O-C 3.34Å; S151-G155 VanDerWaalsContact O-CA 3.31Å; S151-G155 WeakPolarHBondContact O-CA 3.45Å; S151-G155 PolarHBondContact O-N 3.44Å; S151-L156 PolarHBondContact N-O 3.05Å; S151-L156 PolarHBondContact O-N 3.29Å
152A96.2Very high97Very high3 Ų349 Ų493%0.02527%0.269CS..THydrogen-bonded Turntrans-58.1-28.4170.900000112.5C23 L24 R27 F33 N121C23-A152 HydrophobicContact CB-CB 3.58Å; L24-A152 HydrophobicContact CD2-CB 3.95Å; L24-A152 HydrophobicContact CG-CB 4.17Å; R27-A152 PolarHBondContact NE-O 3.03Å; F33-A152 HydrophobicContact CD2-CB 4.28Å; F33-A152 WeakPolarHBondContact CD2-O 3.48Å; F33-A152 HydrophobicContact CE2-CB 4.28Å; N121-A152 PolarHBondContact OD1-N 3.44Å
153K94.6Very high97Very high120 Ų12046.3 Ų46.352%0.52225%0.251SS..THydrogen-bonded Turntrans-67.7-54.2179.3-175-174.1-178.9-175.20111.6R27 F33 D124 S151R27-K153 PolarHBondContact NH2-O 3.26Å; F33-K153 HydrophobicContact CD1-CB 4.5Å; F33-K153 HydrophobicContact CD1-CG 4.22Å; F33-K153 HydrophobicContact CD2-CB 4.46Å; F33-K153 HydrophobicContact CE1-CB 4.13Å; F33-K153 HydrophobicContact CE1-CG 3.86Å; F33-K153 HydrophobicContact CE2-CB 4.09Å; F33-K153 HydrophobicContact CZ-CB 3.92Å; F33-K153 HydrophobicContact CZ-CG 4.13Å; D124-K153 WeakPolarHBondContact OD2-CD 3.49Å; S151-K153 PolarHBondContact O-N 3.27Å; S151-K153 PolarHBondContact OG-N 2.91Å
154S94.8Very high97.2Very high78 Ų7843.4 Ų43.455%0.54524%0.241SC..THydrogen-bonded Turntrans-88.4-14.7-177.562.70000114.1S151 L156S151-S154 WeakPolarHBondContact CB-OG 3.4Å; S151-S154 PolarHBondContact O-N 3.03Å; S151-S154 PolarHBondContact OG-N 2.75Å; S151-S154 PolarHBondContact OG-OG 3Å; S154-L156 VanDerWaalsContact C-N 3.29Å; S154-L156 WeakPolarHBondContact OG-CB 3.21Å; S154-L156 PolarHBondContact OG-N 3.21Å
155G95.4Very high97.3Very high27 Ų2740 Ų4028%0.27821%0.206SC..  trans85.4-4.2-171.900000114S151 N157 V158S151-G155 CarbonylContact O-C 3.34Å; S151-G155 VanDerWaalsContact O-CA 3.31Å; S151-G155 WeakPolarHBondContact O-CA 3.45Å; S151-G155 PolarHBondContact O-N 3.44Å; G155-N157 PolarHBondContact O-N 3.11Å; G155-V158 PolarHBondContact O-N 3.33Å; G155-V158 VanDerWaalsContact O-N 3.17Å
156L97.9Very high97.4Very high89 Ų8938.8 Ų38.847%0.46620%0.199SC..THydrogen-bonded Turntrans-55.8125-176.7-175.465.3000111.5T150 S151 S154 V158T150-L156 WeakPolarHBondContact CA-O 3.4Å; S151-L156 PolarHBondContact N-O 3.05Å; S151-L156 PolarHBondContact O-N 3.29Å; S154-L156 VanDerWaalsContact C-N 3.29Å; S154-L156 WeakPolarHBondContact OG-CB 3.21Å; S154-L156 PolarHBondContact OG-N 3.21Å; L156-V158 PolarHBondContact O-N 2.99Å
157N98Very high97.4Very high48 Ų4838.7 Ų38.726%0.25720%0.196SC..THydrogen-bonded Turntrans55.511.4178.9-58.3-14.6000115.5E149 T150 G155 E160 A161E149-N157 VanDerWaalsContact O-CB 3.29Å; E149-N157 WeakPolarHBondContact O-CB 3.49Å; E149-N157 PolarHBondContact O-ND2 3.38Å; T150-N157 HydrophobicContact CG2-CB 4.07Å; G155-N157 PolarHBondContact O-N 3.11Å; N157-E160 PolarHBondContact OD1-OE2 3.07Å; N157-A161 WeakPolarHBondContact O-CB 3.38Å; N157-A161 PolarHBondContact O-N 3.25Å
158V97.9Very high97.3Very high2 Ų238.6 Ų38.61%0.01220%0.196CC..Hα-helixtrans-68.1-53.5-178.7178.90000110.2L24 R27 F28 G155 L156 E160 A161 F162L24-V158 HydrophobicContact CD2-CG1 4.23Å; L24-V158 HydrophobicContact CD2-CG2 3.68Å; R27-V158 HydrophobicContact CB-CG1 4.18Å; R27-V158 HydrophobicContact CG-CB 4.07Å; R27-V158 HydrophobicContact CG-CG1 3.89Å; R27-V158 HydrophobicContact CG-CG2 3.94Å; F28-V158 HydrophobicContact CB-CG1 3.98Å; G155-V158 PolarHBondContact O-N 3.33Å; G155-V158 VanDerWaalsContact O-N 3.17Å; L156-V158 PolarHBondContact O-N 2.99Å; V158-E160 PolarHBondContact O-N 3.25Å; V158-A161 PolarHBondContact O-N 2.98Å; V158-F162 HydrophobicContact CG1-CD2 4.37Å; V158-F162 HydrophobicContact CG1-CE2 4.17Å; V158-F162 VanDerWaalsContact O-CD2 3.25Å; V158-F162 WeakPolarHBondContact O-CD2 3.48Å; V158-F162 PolarHBondContact O-N 2.97Å
159E96.7Very high97.2Very high96 Ų9637.2 Ų37.245%0.44919%0.189SC..Hα-helixtrans-60.8-47175.4-69.5-147.8133.600111.4F28 R48 A161 F162 Y163F28-E159 HydrophobicContact CD2-CG 4.3Å; R48-E159 IonicContact CZ-OE1 2.78Å; R48-E159 IonicContact NH1-OE1 3.83Å; R48-E159 PolarHBondContact NH1-OE1 3.28Å; R48-E159 IonicContact NH2-OE1 2.79Å; R48-E159 PolarHBondContact NH2-OE1 2.83Å; E159-A161 PolarHBondContact O-N 3.11Å; E159-F162 PolarHBondContact O-N 3.09Å; E159-F162 VanDerWaalsContact O-N 3.09Å; E159-Y163 HydrophobicContact CB-CD2 4.33Å; E159-Y163 HydrophobicContact CB-CE2 4.44Å; E159-Y163 VanDerWaalsContact O-CD2 3.27Å; E159-Y163 WeakPolarHBondContact O-CD2 3.16Å; E159-Y163 PolarHBondContact O-N 3.29Å
160E97.8Very high97.1Very high103 Ų10336.6 Ų36.648%0.48119%0.187SC..Hα-helixtrans-54.4-40.6-179.3-174172.9-175.300112.6L148 N157 V158 Y163 T164L148-E160 HydrophobicContact CD1-CG 4.28Å; N157-E160 PolarHBondContact OD1-OE2 3.07Å; V158-E160 PolarHBondContact O-N 3.25Å; E160-Y163 PolarHBondContact O-N 2.98Å; E160-T164 WeakPolarHBondContact O-CB 3.25Å; E160-T164 PolarHBondContact O-N 3.26Å; E160-T164 PolarHBondContact O-OG1 2.64Å
161A98.4Very high96.9Very high1 Ų140.5 Ų40.51%0.00821%0.207CC..Hα-helixtrans-60.5-48.9176.800000112.7M85 M117 L119 L148 T150 N157 V158 E159 T164 I165M85-A161 HydrophobicContact CE-CB 3.71Å; M117-A161 HydrophobicContact SD-CB 4.22Å; L119-A161 HydrophobicContact CD1-CB 4.32Å; L119-A161 HydrophobicContact CD2-CB 3.76Å; L148-A161 HydrophobicContact CD1-CB 3.97Å; T150-A161 HydrophobicContact CG2-CB 4.26Å; N157-A161 WeakPolarHBondContact O-CB 3.38Å; N157-A161 PolarHBondContact O-N 3.25Å; V158-A161 PolarHBondContact O-N 2.98Å; E159-A161 PolarHBondContact O-N 3.11Å; A161-T164 PolarHBondContact O-N 3.14Å; A161-I165 PolarHBondContact O-N 2.69Å
162F98.1Very high96.6Very high1 Ų143.1 Ų43.10%0.00422%0.221CC..Hα-helixtrans-68.6-38.9179.6-75.5-80.4000112.6L11 L13 F28 I61 M85 V158 E159 I165 A166L11-F162 HydrophobicContact CD1-CD1 4Å; L13-F162 HydrophobicContact CD1-CZ 4.39Å; L13-F162 HydrophobicContact CD2-CE1 4.18Å; L13-F162 HydrophobicContact CD2-CZ 4.2Å; F28-F162 HydrophobicContact CB-CD2 3.69Å; F28-F162 HydrophobicContact CB-CE2 3.51Å; F28-F162 HydrophobicContact CB-CZ 4.21Å; F28-F162 HydrophobicContact CD1-CB 4.46Å; F28-F162 HydrophobicContact CD1-CD1 4.12Å; F28-F162 AromaticContact CD1-CD2 3.89Å; F28-F162 HydrophobicContact CD1-CD2 3.89Å; F28-F162 HydrophobicContact CD1-CE1 4.34Å; F28-F162 HydrophobicContact CD1-CE2 4.14Å; F28-F162 AromaticContact CD1-CG 3.9Å; F28-F162 HydrophobicContact CD1-CG 3.9Å; F28-F162 HydrophobicContact CD1-CZ 4.35Å; F28-F162 HydrophobicContact CD2-CB 3.82Å; F28-F162 AromaticContact CD2-CD2 3.37Å; F28-F162 HydrophobicContact CD2-CD2 3.37Å; F28-F162 HydrophobicContact CD2-CE2 4.13Å; F28-F162 AromaticContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CE1-CB 4.07Å; F28-F162 HydrophobicContact CE1-CD1 4.11Å; F28-F162 HydrophobicContact CE1-CD2 4.35Å; F28-F162 AromaticContact CE1-CG 3.93Å; F28-F162 HydrophobicContact CE1-CG 3.93Å; F28-F162 HydrophobicContact CE2-CB 3.38Å; F28-F162 AromaticContact CE2-CD2 3.91Å; F28-F162 HydrophobicContact CE2-CD2 3.91Å; F28-F162 AromaticContact CE2-CG 3.79Å; F28-F162 HydrophobicContact CE2-CG 3.79Å; F28-F162 HydrophobicContact CG-CB 4.34Å; F28-F162 HydrophobicContact CG-CD1 4.41Å; F28-F162 AromaticContact CG-CD2 3.36Å; F28-F162 HydrophobicContact CG-CD2 3.36Å; F28-F162 AromaticContact CG-CE2 3.67Å; F28-F162 HydrophobicContact CG-CE2 3.67Å; F28-F162 AromaticContact CG-CG 3.79Å; F28-F162 HydrophobicContact CG-CG 3.79Å; F28-F162 HydrophobicContact CG-CZ 4.31Å; F28-F162 HydrophobicContact CZ-CB 3.52Å; F28-F162 HydrophobicContact CZ-CD1 4.42Å; F28-F162 HydrophobicContact CZ-CD2 4.36Å; F28-F162 AromaticContact CZ-CG 3.88Å; F28-F162 HydrophobicContact CZ-CG 3.88Å; I61-F162 HydrophobicContact CD1-CD1 4.05Å; I61-F162 HydrophobicContact CD1-CE1 3.82Å; I61-F162 HydrophobicContact CG1-CE1 4.44Å; I61-F162 HydrophobicContact CG2-CE1 4.12Å; M85-F162 HydrophobicContact CE-CD1 4.4Å; M85-F162 HydrophobicContact CE-CG 4.48Å; M85-F162 HydrophobicContact SD-CD1 3.76Å; M85-F162 HydrophobicContact SD-CE1 3.62Å; M85-F162 HydrophobicContact SD-CG 4.4Å; M85-F162 HydrophobicContact SD-CZ 4.16Å; V158-F162 HydrophobicContact CG1-CD2 4.37Å; V158-F162 HydrophobicContact CG1-CE2 4.17Å; V158-F162 VanDerWaalsContact O-CD2 3.25Å; V158-F162 WeakPolarHBondContact O-CD2 3.48Å; V158-F162 PolarHBondContact O-N 2.97Å; E159-F162 PolarHBondContact O-N 3.09Å; E159-F162 VanDerWaalsContact O-N 3.09Å; F162-I165 WeakPolarHBondContact O-CG2 3.5Å; F162-A166 VanDerWaalsContact O-CB 3.25Å; F162-A166 WeakPolarHBondContact O-CB 3.44Å; F162-A166 PolarHBondContact O-N 2.68Å; F162-A166 VanDerWaalsContact O-N 3.11Å
163Y97.9Very high96.3Very high56 Ų5645.7 Ų45.722%0.2223%0.234CC..Hα-helixtrans-67.6-38.3176-85.4-101.9000111.9F28 I50 E51 L52 E159 E160 A166 R167F28-Y163 HydrophobicContact CE2-CD2 4.34Å; F28-Y163 HydrophobicContact CE2-CE2 4.22Å; I50-Y163 HydrophobicContact CB-CE1 4.2Å; I50-Y163 HydrophobicContact CD1-CD1 4.1Å; I50-Y163 HydrophobicContact CD1-CE1 4.04Å; I50-Y163 HydrophobicContact CD1-CG 4.37Å; I50-Y163 HydrophobicContact CG2-CE2 4.19Å; E51-Y163 WeakPolarHBondContact O-CE1 3.22Å; L52-Y163 HydrophobicContact CD1-CD1 3.82Å; E159-Y163 HydrophobicContact CB-CD2 4.33Å; E159-Y163 HydrophobicContact CB-CE2 4.44Å; E159-Y163 VanDerWaalsContact O-CD2 3.27Å; E159-Y163 WeakPolarHBondContact O-CD2 3.16Å; E159-Y163 PolarHBondContact O-N 3.29Å; E160-Y163 PolarHBondContact O-N 2.98Å; Y163-A166 PolarHBondContact O-N 2.95Å; Y163-R167 WeakPolarHBondContact O-CB 2.88Å; Y163-R167 PolarHBondContact O-N 3.42Å
164T97.9Very high95.8Very high19 Ų1942.6 Ų42.612%0.11723%0.227CC..Hα-helixtrans-65.5-50.5-179.4-62.60000111.2M117 K146 E160 A161 A166 R167 D168M117-T164 HydrophobicContact CE-CG2 3.47Å; M117-T164 VanDerWaalsContact CE-CG2 3.47Å; K146-T164 HydrophobicContact CD-CG2 3.8Å; E160-T164 WeakPolarHBondContact O-CB 3.25Å; E160-T164 PolarHBondContact O-N 3.26Å; E160-T164 PolarHBondContact O-OG1 2.64Å; A161-T164 PolarHBondContact O-N 3.14Å; T164-A166 VanDerWaalsContact C-N 3.31Å; T164-A166 PolarHBondContact O-N 3.27Å; T164-R167 WeakPolarHBondContact O-CB 3.34Å; T164-R167 PolarHBondContact O-N 3.24Å; T164-R167 VanDerWaalsContact O-N 3.16Å; T164-D168 VanDerWaalsContact O-CG 3.32Å; T164-D168 PolarHBondContact O-N 2.84Å
165I97.9Very high95.2Very high1 Ų141.3 Ų41.31%0.00522%0.218CC..Hα-helixtrans-64.9-36177.6-163.6170000111.8L11 M85 E115 M117 A161 F162 R167 D168 I169L11-I165 HydrophobicContact CD1-CG2 4.15Å; L11-I165 HydrophobicContact CD2-CG2 4.27Å; M85-I165 HydrophobicContact CE-CG2 4.1Å; M85-I165 HydrophobicContact CG-CD1 3.71Å; M85-I165 HydrophobicContact CG-CG2 4.41Å; M85-I165 HydrophobicContact SD-CG2 4.14Å; E115-I165 HydrophobicContact CB-CG1 4.19Å; M117-I165 HydrophobicContact CB-CD1 4.21Å; A161-I165 PolarHBondContact O-N 2.69Å; F162-I165 WeakPolarHBondContact O-CG2 3.5Å; I165-R167 VanDerWaalsContact C-N 3.31Å; I165-R167 PolarHBondContact O-N 2.83Å; I165-D168 PolarHBondContact O-N 3.06Å; I165-I169 HydrophobicContact CG1-CD1 4.4Å; I165-I169 WeakPolarHBondContact O-CD1 3.43Å; I165-I169 VanDerWaalsContact O-CG1 3.24Å; I165-I169 WeakPolarHBondContact O-CG1 3.28Å; I165-I169 PolarHBondContact O-N 2.91Å; I165-I169 VanDerWaalsContact O-N 3.08Å
166A97.7Very high94.3Very high0 Ų044.1 Ų44.10%022%0.223CC..Hα-helixtrans-63.2-37.9174.800000112.1F9 I50 L52 L59 F162 Y163 T164 I169 L170F9-A166 HydrophobicContact CD2-CB 4.22Å; F9-A166 HydrophobicContact CE2-CB 4.44Å; F9-A166 VanDerWaalsContact CE2-O 3.29Å; F9-A166 WeakPolarHBondContact CE2-O 3.34Å; I50-A166 HydrophobicContact CD1-CB 4.1Å; L52-A166 HydrophobicContact CD2-CB 3.86Å; L59-A166 HydrophobicContact CD2-CB 4.12Å; F162-A166 VanDerWaalsContact O-CB 3.25Å; F162-A166 WeakPolarHBondContact O-CB 3.44Å; F162-A166 PolarHBondContact O-N 2.68Å; F162-A166 VanDerWaalsContact O-N 3.11Å; Y163-A166 PolarHBondContact O-N 2.95Å; T164-A166 VanDerWaalsContact C-N 3.31Å; T164-A166 PolarHBondContact O-N 3.27Å; A166-I169 PolarHBondContact O-N 3.22Å; A166-L170 WeakPolarHBondContact O-CB 3.18Å; A166-L170 PolarHBondContact O-N 2.78Å
167R97.1Very high92.7Very high87 Ų8744.2 Ų44.233%0.32823%0.227SC..Hα-helixtrans-66.8-40.5176.8-164.9-179.6-63.7104.5-1.7112L52 D53 Y163 T164 I165 L170 N171L52-R167 HydrophobicContact CD1-CB 4.3Å; L52-R167 HydrophobicContact CD2-CB 4.28Å; D53-R167 IonicContact OD2-NE 3.96Å; Y163-R167 WeakPolarHBondContact O-CB 2.88Å; Y163-R167 PolarHBondContact O-N 3.42Å; T164-R167 WeakPolarHBondContact O-CB 3.34Å; T164-R167 PolarHBondContact O-N 3.24Å; T164-R167 VanDerWaalsContact O-N 3.16Å; I165-R167 VanDerWaalsContact C-N 3.31Å; I165-R167 PolarHBondContact O-N 2.83Å; R167-L170 PolarHBondContact O-N 3.17Å; R167-N171 WeakPolarHBondContact O-CB 3.24Å; R167-N171 PolarHBondContact O-N 2.55Å; R167-N171 PolarHBondContact O-ND2 3.3Å
168D96.2Very high90.8Very high23 Ų2346.1 Ų46.112%0.12324%0.24CC..Hα-helixtrans-64.1-43.1177.4-62.7-30.5000111.6E115 K146 T164 I165 L170 N171 N172E115-D168 HydrophobicContact CG-CB 4.01Å; K146-D168 VanDerWaalsContact CD-OD2 3.28Å; K146-D168 WeakPolarHBondContact CD-OD2 3.42Å; K146-D168 WeakPolarHBondContact CE-OD2 3.24Å; K146-D168 IonicContact NZ-OD1 2.61Å; K146-D168 PolarHBondContact NZ-OD1 2.88Å; K146-D168 IonicContact NZ-OD2 2.67Å; K146-D168 PolarHBondContact NZ-OD2 2.91Å; T164-D168 VanDerWaalsContact O-CG 3.32Å; T164-D168 PolarHBondContact O-N 2.84Å; I165-D168 PolarHBondContact O-N 3.06Å; D168-L170 VanDerWaalsContact C-N 3.34Å; D168-L170 PolarHBondContact O-N 2.82Å; D168-N171 PolarHBondContact O-N 2.91Å; D168-N172 WeakPolarHBondContact O-CB 3.44Å; D168-N172 PolarHBondContact O-N 3.4Å
169I96.6Very high88.9Confident6 Ų652.5 Ų52.53%0.03128%0.275CS..Hα-helixtrans-59.3-46.5173.6-65.3165.7000110.6F9 L11 M82 E115 I165 A166 N171 N172 L173F9-I169 HydrophobicContact CD1-CG2 3.75Å; F9-I169 HydrophobicContact CD2-CB 4.2Å; F9-I169 HydrophobicContact CD2-CD1 4.41Å; F9-I169 HydrophobicContact CD2-CG2 3.94Å; F9-I169 HydrophobicContact CE1-CG2 3.75Å; F9-I169 HydrophobicContact CE2-CB 4.14Å; F9-I169 HydrophobicContact CE2-CG2 3.93Å; F9-I169 HydrophobicContact CG-CG2 3.88Å; F9-I169 HydrophobicContact CZ-CB 4.44Å; F9-I169 HydrophobicContact CZ-CG2 3.85Å; L11-I169 HydrophobicContact CD2-CD1 3.51Å; M82-I169 HydrophobicContact CB-CD1 4.05Å; M82-I169 HydrophobicContact CB-CG1 4.43Å; M82-I169 HydrophobicContact CB-CG2 4.04Å; M82-I169 HydrophobicContact CE-CG2 3.67Å; E115-I169 HydrophobicContact CB-CG1 3.85Å; E115-I169 HydrophobicContact CG-CG1 3.88Å; I165-I169 HydrophobicContact CG1-CD1 4.4Å; I165-I169 WeakPolarHBondContact O-CD1 3.43Å; I165-I169 VanDerWaalsContact O-CG1 3.24Å; I165-I169 WeakPolarHBondContact O-CG1 3.28Å; I165-I169 PolarHBondContact O-N 2.91Å; I165-I169 VanDerWaalsContact O-N 3.08Å; A166-I169 PolarHBondContact O-N 3.22Å; I169-N171 PolarHBondContact O-N 2.85Å; I169-N172 PolarHBondContact O-N 3.1Å; I169-L173 HydrophobicContact CG2-CD1 4.07Å; I169-L173 VanDerWaalsContact O-CG 3.3Å; I169-L173 WeakPolarHBondContact O-CG 3.1Å; I169-L173 PolarHBondContact O-N 3.28Å
170L95.3Very high86.7Confident9 Ų953.1 Ų53.15%0.04729%0.289CS..Hα-helixtrans-60.6-45.9179.3-177.261.7000111.6Y7 F9 L52 A166 R167 D168 N172 L173 C174Y7-L170 HydrophobicContact CD1-CD1 4.32Å; Y7-L170 HydrophobicContact CD2-CD1 3.88Å; Y7-L170 HydrophobicContact CE1-CD1 4.04Å; Y7-L170 HydrophobicContact CE2-CD1 3.59Å; Y7-L170 HydrophobicContact CG-CD1 4.24Å; F9-L170 HydrophobicContact CE2-CB 4.21Å; F9-L170 HydrophobicContact CZ-CB 4.01Å; F9-L170 HydrophobicContact CZ-CD1 4.17Å; L52-L170 HydrophobicContact CD2-CB 4.46Å; L52-L170 HydrophobicContact CD2-CD2 4.1Å; L52-L170 HydrophobicContact CG-CD2 4.41Å; A166-L170 WeakPolarHBondContact O-CB 3.18Å; A166-L170 PolarHBondContact O-N 2.78Å; R167-L170 PolarHBondContact O-N 3.17Å; D168-L170 VanDerWaalsContact C-N 3.34Å; D168-L170 PolarHBondContact O-N 2.82Å; L170-N172 VanDerWaalsContact C-N 3.35Å; L170-N172 PolarHBondContact O-N 2.71Å; L170-L173 PolarHBondContact O-N 3.28Å; L170-C174 PolarHBondContact O-N 3.46Å; L170-C174 PolarHBondContact O-SG 2.86Å
171N93.9Very high84.2Confident82 Ų8252.8 Ų52.844%0.43930%0.299SS..Hα-helixtrans-61.4-41.5178.4-71.4-22.4000112.3R167 D168 I169 L173 C174 S175R167-N171 WeakPolarHBondContact O-CB 3.24Å; R167-N171 PolarHBondContact O-N 2.55Å; R167-N171 PolarHBondContact O-ND2 3.3Å; D168-N171 PolarHBondContact O-N 2.91Å; I169-N171 PolarHBondContact O-N 2.85Å; N171-L173 VanDerWaalsContact C-N 3.34Å; N171-L173 PolarHBondContact O-N 3.48Å; N171-C174 PolarHBondContact O-N 3.32Å; N171-S175 PolarHBondContact O-N 3.18Å; N171-S175 PolarHBondContact O-OG 2.97Å; N171-S175 VanDerWaalsContact O-OG 3.05Å
172N91.6Very high81.5Confident54 Ų5456.1 Ų56.129%0.28933%0.333SS..Hα-helixtrans-67.4-32.6176.5-81.5-2.8000113.5E115 D168 I169 L170 S175 K176E115-N172 PolarHBondContact OE1-ND2 3.38Å; D168-N172 WeakPolarHBondContact O-CB 3.44Å; D168-N172 PolarHBondContact O-N 3.4Å; I169-N172 PolarHBondContact O-N 3.1Å; L170-N172 VanDerWaalsContact C-N 3.35Å; L170-N172 PolarHBondContact O-N 2.71Å; N172-S175 WeakPolarHBondContact CA-OG 3.35Å; N172-S175 PolarHBondContact O-OG 2.9Å; N172-K176 VanDerWaalsContact O-CG 3.31Å; N172-K176 WeakPolarHBondContact O-CG 3.37Å; N172-K176 PolarHBondContact O-N 3.49Å
173L89.7Confident78.6Confident57 Ų5760 Ų6030%0.29837%0.374SS..Hα-helixtrans-71-41.6174-68.8169.2000111.2Y7 F9 M82 I169 L170 N171 K176 T177Y7-L173 HydrophobicContact CD1-CD1 4.48Å; F9-L173 HydrophobicContact CD1-CD1 4.36Å; F9-L173 HydrophobicContact CE1-CD1 3.46Å; F9-L173 VanDerWaalsContact CE1-CD1 3.46Å; F9-L173 HydrophobicContact CZ-CD1 4.02Å; M82-L173 HydrophobicContact CE-CD1 3.69Å; M82-L173 HydrophobicContact CE-CD2 4.22Å; M82-L173 HydrophobicContact CE-CG 4.37Å; I169-L173 HydrophobicContact CG2-CD1 4.07Å; I169-L173 VanDerWaalsContact O-CG 3.3Å; I169-L173 WeakPolarHBondContact O-CG 3.1Å; I169-L173 PolarHBondContact O-N 3.28Å; L170-L173 PolarHBondContact O-N 3.28Å; N171-L173 VanDerWaalsContact C-N 3.34Å; N171-L173 PolarHBondContact O-N 3.48Å; L173-K176 PolarHBondContact O-N 3.34Å; L173-T177 PolarHBondContact O-N 3.26Å; L173-T177 PolarHBondContact O-OG1 2.92Å
174C85.3Confident76Confident55 Ų5560.7 Ų60.737%0.37240%0.398SS..Hα-helixtrans-64.9-42.5179-74.50000112.6L170 N171 K176 T177 T178L170-C174 PolarHBondContact O-N 3.46Å; L170-C174 PolarHBondContact O-SG 2.86Å; N171-C174 PolarHBondContact O-N 3.32Å; C174-K176 PolarHBondContact O-N 3.26Å; C174-T177 WeakPolarHBondContact CA-OG1 3.27Å; C174-T177 PolarHBondContact O-N 2.72Å; C174-T177 PolarHBondContact O-OG1 2.82Å; C174-T178 PolarHBondContact O-N 2.95Å; C174-T178 PolarHBondContact O-OG1 3.3Å
175S83Confident73Confident51 Ų5166.9 Ų66.936%0.35744%0.436SS..Hα-helixtrans-62.8-40.6176.150.40000112.8N171 N172 T177 T178 D179N171-S175 PolarHBondContact O-N 3.18Å; N171-S175 PolarHBondContact O-OG 2.97Å; N171-S175 VanDerWaalsContact O-OG 3.05Å; N172-S175 WeakPolarHBondContact CA-OG 3.35Å; N172-S175 PolarHBondContact O-OG 2.9Å; S175-T177 VanDerWaalsContact C-N 3.3Å; S175-T177 PolarHBondContact O-N 2.92Å; S175-T178 PolarHBondContact O-N 3.24Å; S175-T178 PolarHBondContact O-OG1 2.92Å; S175-D179 PolarHBondContact O-N 2.86Å
176K75.8Confident70Confident87 Ų8770.6 Ų70.638%0.37847%0.474SS..Hα-helixtrans-63.9-33.8175-72.5173.2-178.21690113D113 N172 L173 C174 S180D113-K176 VanDerWaalsContact CB-NZ 3.28Å; D113-K176 IonicContact OD2-NZ 2.67Å; D113-K176 PolarHBondContact OD2-NZ 2.89Å; N172-K176 VanDerWaalsContact O-CG 3.31Å; N172-K176 WeakPolarHBondContact O-CG 3.37Å; N172-K176 PolarHBondContact O-N 3.49Å; L173-K176 PolarHBondContact O-N 3.34Å; C174-K176 PolarHBondContact O-N 3.26Å; K176-S180 PolarHBondContact O-N 3.28Å; K176-S180 PolarHBondContact O-OG 3.1Å
177T63.8Low66.8Low91 Ų9181.8 Ų81.856%0.55852%0.516SS*.Hα-helixtrans-71.8-31177.546.40000113.6L173 C174 S175 S181L173-T177 PolarHBondContact O-N 3.26Å; L173-T177 PolarHBondContact O-OG1 2.92Å; C174-T177 WeakPolarHBondContact CA-OG1 3.27Å; C174-T177 PolarHBondContact O-N 2.72Å; C174-T177 PolarHBondContact O-OG1 2.82Å; S175-T177 VanDerWaalsContact C-N 3.3Å; S175-T177 PolarHBondContact O-N 2.92Å; T177-S181 PolarHBondContact O-OG 2.89Å
178T58.5Low63.9Low87 Ų8784 Ų8453%0.53454%0.542SS..Hα-helixtrans-73.8-35.5176.944.70000112.4C174 S175 S180 S181C174-T178 PolarHBondContact O-N 2.95Å; C174-T178 PolarHBondContact O-OG1 3.3Å; S175-T178 PolarHBondContact O-N 3.24Å; S175-T178 PolarHBondContact O-OG1 2.92Å; T178-S180 VanDerWaalsContact C-N 3.31Å; T178-S180 PolarHBondContact O-N 3.3Å; T178-S181 PolarHBondContact O-N 3.2Å; T178-S181 PolarHBondContact O-OG 2.99Å
179D57.3Low60.9Low137 Ų13789.4 Ų89.473%0.73358%0.575SS**Hα-helixtrans-73.7-24.6179-66.4-15.4000112.7S175 S181S175-D179 PolarHBondContact O-N 2.86Å; D179-S181 VanDerWaalsContact C-N 3.34Å
180S52.1Low57.9Low108 Ų10898.3 Ų98.376%0.75561%0.614SS**THydrogen-bonded Turntrans-81.4-11.5179.1-52.10000113.8K176 T178K176-S180 PolarHBondContact O-N 3.28Å; K176-S180 PolarHBondContact O-OG 3.1Å; T178-S180 VanDerWaalsContact C-N 3.31Å; T178-S180 PolarHBondContact O-N 3.3Å
181S45Very low55Low97 Ų97105.3 Ų105.368%0.67865%0.65SS**SBendtrans-1164.2-174.346.30000114.4T177 T178 D179T177-S181 PolarHBondContact O-OG 2.89Å; T178-S181 PolarHBondContact O-N 3.2Å; T178-S181 PolarHBondContact O-OG 2.99Å; D179-S181 VanDerWaalsContact C-N 3.34Å
182G41.1Very low52.1Low71 Ų71107.9 Ų107.973%0.73267%0.668SS**  trans-111.963.4-179.800000114.4
183G37.8Very low49.3Very low83 Ų83112.3 Ų112.386%0.85669%0.692SS**  trans-138.744.9-179.800000113.9
184G42.3Very low46.5Very low70 Ų70119 Ų11972%0.72272%0.719SS**  trans-148.780.2-179.900000113.2
185T35Very low44Very low149 Ų149126 Ų12691%0.91474%0.743SS**  trans-152.5102.3153.432.40000111.5
186G34.5Very low41.6Very low79 Ų79128.8 Ų128.881%0.81476%0.762SS**  trans46.2103.913900000121.8
187R31.8Very low39.6Very low235 Ų235134.4 Ų134.489%0.88779%0.787SS**  trans-132132.2134.4-92-176.7173.7173.8-1.2109.2V189R187-V189 PolarHBondContact O-N 3.21Å
188P35.7Very low38.2Very low132 Ų132141.5 Ų141.586%0.85780%0.803SS**  trans-77112.6177.731-29.3000108.6
189V33.9Very low37.2Very low137 Ų137145.5 Ų145.583%0.8382%0.82SS**  trans-84.3114.9172.8178.30000108.1R187R187-V189 PolarHBondContact O-N 3.21Å
190K33.1Very low36.1Very low194 Ų194147.8 Ų147.884%0.84382%0.823SS**  trans-62.3131.7172.9-77.4-179.6174.9178.80110.2
191I33.2Very low35.1Very low156 Ų156152.4 Ų152.480%0.883%0.83SS**  trans-70.2123.6171.3-62.1167.7000108.6
192T33.3Very low34.7Very low135 Ų135157.3 Ų157.383%0.82884%0.84SS**  trans-140.8118.1155.435.90000109.5
193D33.4Very low34.3Very low148 Ų148163 Ų16379%0.79184%0.844SS**  trans-56.8139.2172.9-77.8-60.8000113.3
194K31.8Very low33.9Very low198 Ų198165.7 Ų165.786%0.86185%0.848SS**  trans-169.2111.3133.4-106.9167.3-173.61790113.6
195K31.5Very low33.5Very low200 Ų200166.6 Ų166.687%0.8784%0.844SS**  trans48.7105.2138.4-68.6-174.9176.8-178.40120.2
196S32.7Very low33.5Very low110 Ų110167.4 Ų167.477%0.76984%0.841SS**  39.7116.1119.3-167.10000119
197K33.2Very low33.8Very low206 Ų206175.2 Ų175.290%0.89686%0.863SS**  trans-154.4114.8134.2-103.4168.5-169.3-174.50110.5
198R35.6Very low33.9Very low239 Ų239172.2 Ų172.290%0.90286%0.862SS**  trans-63.5136.6169.9-84173.4160.7171.3-5.8110.8
199I36.6Very low33.8Very low172 Ų172174.3 Ų174.388%0.88286%0.862SS**  trans-135.9139.1152.1-61.3-177.1000109.2
200K34.2Very low33.8Very low185 Ų185176.4 Ų176.480%0.80486%0.864SS**  trans-83.4144.5-154.9-67.2171.5175.3176.60113.9
201F31.6Very low33.8Very low205 Ų205175.4 Ų175.490%0.89987%0.865SS**  trans-64.5132.5160.2-86.8-104.1000110.9
202F36Very low33.9Very low200 Ų200176.6 Ų176.688%0.87787%0.869SS**  trans-107.5110.1157.6-95.6-89.5000108.9
203K32.9Very low33.9Very low190 Ų190179.3 Ų179.383%0.82687%0.872SS**  trans-75.6132158.7-96.2179.8168.9-178.50107.4
204C30.2Very low33.9Very low139 Ų139181.6 Ų181.694%0.93988%0.878SS**  trans-108.2121.5162.4-161.70000107.3
205S33.7Very low34.1Very low90 Ų90180.3 Ų180.363%0.62988%0.879SS**  trans-142.7129.6177.551.90000108.8
206L34.3Very low34.3Very low165 Ų165178.7 Ų178.786%0.86488%0.88SS**  trans66.3115.6164.6-75.8121.7000119.3
207L40.7Very low34.5Very low243 Ų243184.9 Ų184.9100%1.27289%0.89SS**  -138.90104-98.5156.1000109

Retrieved 207 of 207 residues in 366.4 ms (Link to these results)

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