A0A077Z5V1_TRITR Loading...

HAD-superfamily hydrolase

AlphaFold DB , UniProt , Accession A0A077Z5V1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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
1M50.5Low90.1Very high213 Ų21353.2 Ų53.2100%1.04925%0.254SS*.  0137.50-78.3167.5163.400107.4R3M1-R3 PolarHBondContact O-N 2.99Å
2S68.7Low90.5Very high77 Ų7750.3 Ų50.354%0.53824%0.241SC..PPolyproline II helixtrans-67.2125.3175.151.10000108.4
3R87Confident90.8Very high202 Ų20247.1 Ų47.176%0.76223%0.23SC*.PPolyproline II helixtrans-80.9134175.8-177.6179.1179-179.20.7107.6M1 E5M1-R3 PolarHBondContact O-N 2.99Å; R3-E5 PolarHBondContact O-N 3.3Å
4I97Very high91.2Very high15 Ų1543.7 Ų43.78%0.07721%0.213CC..PPolyproline II helixtrans-66124.4169.2-64.7-52.8000108.5A6 N161 I163 W217 I219I4-A6 VanDerWaalsContact CG2-O 3.29Å; I4-A6 WeakPolarHBondContact CG2-O 3.14Å; I4-N161 CarbonylContact C-O 3.5Å; I4-N161 VanDerWaalsContact CA-O 3.3Å; I4-N161 WeakPolarHBondContact CA-O 3.27Å; I4-I163 HydrophobicContact CD1-CG2 3.66Å; I4-I163 HydrophobicContact CG1-CG2 4.06Å; I4-I163 HydrophobicContact CG2-CG1 4.31Å; I4-I163 HydrophobicContact CG2-CG2 4.18Å; I4-W217 HydrophobicContact CD1-CD2 3.99Å; I4-W217 HydrophobicContact CD1-CE3 4.29Å; I4-W217 HydrophobicContact CD1-CG 4.4Å; I4-W217 HydrophobicContact CD1-CZ2 4.31Å; I4-W217 HydrophobicContact CG1-CB 4.19Å; I4-W217 HydrophobicContact CG1-CD2 3.76Å; I4-W217 HydrophobicContact CG1-CE3 4.04Å; I4-W217 HydrophobicContact CG1-CG 3.81Å; I4-I219 HydrophobicContact CB-CD1 4.01Å; I4-I219 HydrophobicContact CB-CG1 4.23Å; I4-I219 HydrophobicContact CG1-CD1 3.82Å; I4-I219 HydrophobicContact CG1-CG1 4.35Å; I4-I219 HydrophobicContact CG2-CD1 4.09Å
5E97.6Very high91.7Very high68 Ų6840.8 Ų40.832%0.31820%0.199SC..  trans-83.7-28.7-176.5-70.9-178.1-158.900112.2R3 P103 V157 N158 N161R3-E5 PolarHBondContact O-N 3.3Å; E5-P103 WeakPolarHBondContact O-CD 3.47Å; E5-P103 WeakPolarHBondContact O-CG 3.5Å; E5-V157 HydrophobicContact CB-CB 3.83Å; E5-V157 HydrophobicContact CB-CG1 3.78Å; E5-V157 WeakPolarHBondContact OE2-CA 3.27Å; E5-V157 VanDerWaalsContact OE2-CB 3.26Å; E5-V157 WeakPolarHBondContact OE2-CB 3.5Å; E5-N158 PolarHBondContact OE2-N 3Å; E5-N161 HydrophobicContact CB-CB 4.23Å; E5-N161 HydrophobicContact CG-CB 3.79Å; E5-N161 PolarHBondContact N-O 3.21Å; E5-N161 PolarHBondContact OE1-ND2 3.08Å
6A98.3Very high92Very high0 Ų038.3 Ų38.30%019%0.187CC..EExtended strand (participates in β ladder)trans-163.1157.9175.700000113.3I4 F8 P103 M155 V157 C162 I163I4-A6 VanDerWaalsContact CG2-O 3.29Å; I4-A6 WeakPolarHBondContact CG2-O 3.14Å; A6-F8 HydrophobicContact CB-CD1 4.09Å; A6-F8 HydrophobicContact CB-CE1 3.68Å; A6-P103 CarbonylContact C-O 3.59Å; A6-P103 WeakPolarHBondContact CA-O 3.41Å; A6-P103 HydrophobicContact CB-CB 4.24Å; A6-P103 WeakPolarHBondContact CB-O 3.21Å; A6-M155 HydrophobicContact CB-CE 3.43Å; A6-M155 VanDerWaalsContact CB-CE 3.43Å; A6-M155 HydrophobicContact CB-SD 4.08Å; A6-V157 HydrophobicContact CB-CG1 4.45Å; A6-V157 HydrophobicContact CB-CG2 4.37Å; A6-C162 WeakPolarHBondContact O-CA 3.43Å; A6-I163 PolarHBondContact O-N 3.26Å; A6-I163 VanDerWaalsContact O-N 3.14Å
7V98.7Very high92.2Very high0 Ų040.2 Ų40.20%020%0.198CC..EExtended strand (participates in β ladder)trans-110.5123.1172.4-172.40000109.4F9 I100 A102 P103 M104 C105 I163 V165 W212 I219V7-F9 HydrophobicContact CB-CE2 3.98Å; V7-F9 HydrophobicContact CG1-CD2 3.91Å; V7-F9 HydrophobicContact CG1-CE1 4.3Å; V7-F9 HydrophobicContact CG1-CE2 3.27Å; V7-F9 HydrophobicContact CG1-CZ 3.49Å; V7-F9 VanDerWaalsContact CG1-CZ 3.49Å; V7-I100 HydrophobicContact CG2-CG2 4.38Å; V7-A102 HydrophobicContact CG2-CB 4.4Å; V7-P103 PolarHBondContact N-O 2.88Å; V7-M104 HydrophobicContact CB-CG 4.35Å; V7-M104 VanDerWaalsContact O-CA 3.29Å; V7-M104 WeakPolarHBondContact O-CA 3.47Å; V7-C105 PolarHBondContact O-N 3.03Å; V7-C105 VanDerWaalsContact O-N 3.08Å; V7-I163 HydrophobicContact CB-CD1 4.42Å; V7-I163 HydrophobicContact CB-CG1 4.13Å; V7-I163 HydrophobicContact CG1-CD1 3.93Å; V7-I163 HydrophobicContact CG1-CG1 3.84Å; V7-I163 HydrophobicContact CG2-CD1 3.94Å; V7-I163 HydrophobicContact CG2-CG1 3.97Å; V7-V165 HydrophobicContact CG1-CG2 4.25Å; V7-W212 HydrophobicContact CG1-CH2 4.44Å; V7-W212 HydrophobicContact CG1-CZ2 4.35Å; V7-I219 HydrophobicContact CG2-CG2 3.6Å
8F98.9Very high92.4Very high0 Ų038 Ų380%019%0.187CC..EExtended strand (participates in β ladder)trans-104.3127.2179.7-69.528.4000107.3A6 C105 V107 M148 A151 A152 M155 V157 C162 I163 L164 V165 M180A6-F8 HydrophobicContact CB-CD1 4.09Å; A6-F8 HydrophobicContact CB-CE1 3.68Å; F8-C105 WeakPolarHBondContact CD1-SG 3.16Å; F8-C105 WeakPolarHBondContact CG-SG 3.5Å; F8-V107 HydrophobicContact CB-CG2 4.08Å; F8-V107 HydrophobicContact CD2-CG1 4Å; F8-V107 HydrophobicContact CD2-CG2 4.42Å; F8-M148 HydrophobicContact CD2-SD 4.02Å; F8-A151 HydrophobicContact CD2-CB 4.17Å; F8-A151 HydrophobicContact CE2-CB 3.55Å; F8-A151 HydrophobicContact CZ-CB 4.06Å; F8-A152 HydrophobicContact CE2-CB 4.44Å; F8-A152 HydrophobicContact CZ-CB 3.99Å; F8-M155 HydrophobicContact CD1-SD 4.44Å; F8-M155 HydrophobicContact CE1-SD 3.75Å; F8-M155 HydrophobicContact CZ-SD 4.25Å; F8-V157 HydrophobicContact CZ-CG2 4.48Å; F8-C162 HydrophobicContact CD1-CB 4.23Å; F8-C162 HydrophobicContact CE1-CB 3.93Å; F8-C162 HydrophobicContact CZ-CB 4.31Å; F8-I163 WeakPolarHBondContact CB-O 3.12Å; F8-I163 PolarHBondContact N-O 3.35Å; F8-L164 HydrophobicContact CB-CD1 3.95Å; F8-L164 CarbonylContact O-C 3.54Å; F8-L164 WeakPolarHBondContact O-CA 3.42Å; F8-V165 PolarHBondContact O-N 3.41Å; F8-M180 HydrophobicContact CB-CE 4.13Å; F8-M180 HydrophobicContact CD1-CE 4.27Å; F8-M180 HydrophobicContact CD2-CE 3.69Å; F8-M180 HydrophobicContact CE2-CE 4.09Å; F8-M180 HydrophobicContact CG-CE 3.79Å
9F98.9Very high92.3Very high0 Ų038.1 Ų38.10%019%0.187CC..EExtended strand (participates in β ladder)trans-111.7139.9176.4-71.3-85.3000110.3V7 T14 L15 L96 L97 I100 M104 C105 V106 V107 F128 V165V7-F9 HydrophobicContact CB-CE2 3.98Å; V7-F9 HydrophobicContact CG1-CD2 3.91Å; V7-F9 HydrophobicContact CG1-CE1 4.3Å; V7-F9 HydrophobicContact CG1-CE2 3.27Å; V7-F9 HydrophobicContact CG1-CZ 3.49Å; V7-F9 VanDerWaalsContact CG1-CZ 3.49Å; F9-T14 HydrophobicContact CD1-CG2 4.39Å; F9-L15 HydrophobicContact CB-CD1 3.67Å; F9-L15 HydrophobicContact CB-CG 4.09Å; F9-L15 HydrophobicContact CD1-CD2 3.9Å; F9-L15 HydrophobicContact CD1-CG 4.3Å; F9-L15 HydrophobicContact CE1-CD2 4.38Å; F9-L15 HydrophobicContact CG-CD1 4.1Å; F9-L15 HydrophobicContact CG-CD2 4.27Å; F9-L15 HydrophobicContact CG-CG 4.37Å; F9-L96 HydrophobicContact CE1-CD2 3.99Å; F9-L96 HydrophobicContact CZ-CD2 4.13Å; F9-L97 HydrophobicContact CD2-CD2 4.11Å; F9-L97 HydrophobicContact CE2-CD2 3.72Å; F9-L97 HydrophobicContact CZ-CD2 4.01Å; F9-I100 HydrophobicContact CE2-CD1 3.85Å; F9-I100 HydrophobicContact CZ-CD1 3.62Å; F9-M104 HydrophobicContact CE2-CG 4.41Å; F9-M104 HydrophobicContact CE2-SD 3.94Å; F9-C105 PolarHBondContact N-O 3.02Å; F9-V106 CarbonylContact O-C 3.59Å; F9-V106 VanDerWaalsContact O-CA 3.23Å; F9-V106 WeakPolarHBondContact O-CA 3.43Å; F9-V107 PolarHBondContact O-N 2.88Å; F9-F128 HydrophobicContact CD2-CE1 4.24Å; F9-F128 HydrophobicContact CD2-CZ 4.44Å; F9-V165 HydrophobicContact CD1-CB 3.61Å; F9-V165 HydrophobicContact CD1-CG1 4.02Å; F9-V165 HydrophobicContact CD1-CG2 3.95Å; F9-V165 HydrophobicContact CE1-CB 3.8Å; F9-V165 HydrophobicContact CE1-CG1 4.08Å; F9-V165 HydrophobicContact CE1-CG2 3.65Å; F9-V165 HydrophobicContact CG-CB 4.48Å; F9-V165 HydrophobicContact CZ-CG2 4.29Å
10D98.2Very high92.2Very high10 Ų1039.9 Ų39.95%0.05320%0.2CC..  trans-67.6162.6153.5-168.173.3000110.9D12 T14 L15 V107 K142 V165 D166D10-D12 PolarHBondContact OD2-N 2.92Å; D10-T14 HydrophobicContact CB-CG2 4.36Å; D10-L15 WeakPolarHBondContact O-CG 3.43Å; D10-V107 WeakPolarHBondContact CA-O 3.34Å; D10-V107 VanDerWaalsContact OD1-O 3.13Å; D10-K142 IonicContact OD1-NZ 3.55Å; D10-K142 PolarHBondContact OD1-NZ 3.45Å; D10-V165 PolarHBondContact N-O 2.9Å; D10-D166 HydrophobicContact CB-CB 4.28Å; D10-D166 WeakPolarHBondContact CB-OD2 3.47Å
11C97.4Very high92.3Very high0 Ų038.5 Ų38.50%019%0.193CC..SBendtrans-95.3-63178.2-177.90000111.5L15 V16 V106 M115C11-L15 PolarHBondContact O-N 3.41Å; C11-V16 PolarHBondContact O-N 3.3Å; C11-V106 HydrophobicContact CB-CG1 3.73Å; C11-M115 HydrophobicContact CB-CG 4.23Å; C11-M115 HydrophobicContact CB-SD 4.41Å
12D94.6Very high94.4Very high18 Ų1828.6 Ų28.610%0.09615%0.145CC..BIsolated β-bridgetrans-86.6122.7-163.9-65.3-46.5000109.1D10 T14 S18 K114 D167D10-D12 PolarHBondContact OD2-N 2.92Å; D12-T14 PolarHBondContact O-N 3.23Å; D12-S18 WeakPolarHBondContact CB-OG 3.46Å; D12-S18 PolarHBondContact OD1-OG 3.38Å; D12-K114 IonicContact OD1-NZ 3.13Å; D12-K114 PolarHBondContact OD1-NZ 3.3Å; D12-K114 IonicContact OD2-NZ 3.25Å; D12-K114 PolarHBondContact OD2-NZ 2.92Å; D12-D167 VanDerWaalsContact O-OD1 3.07Å
13G94.2Very high95.6Very high9 Ų925.1 Ų25.19%0.09312%0.121CC..THydrogen-bonded Turntrans81.3-15.1-17400000114.1V16 F185G13-V16 PolarHBondContact N-O 3.03Å; G13-F185 WeakPolarHBondContact O-CD1 3.37Å; G13-F185 WeakPolarHBondContact O-CE1 3.46Å
14T96.9Very high96Very high0 Ų019.5 Ų19.50%010%0.1CC..THydrogen-bonded Turntrans-105.3-50.8178.7-66.50000113.5F9 D10 D12 I90 V165 D167F9-T14 HydrophobicContact CD1-CG2 4.39Å; D10-T14 HydrophobicContact CB-CG2 4.36Å; D12-T14 PolarHBondContact O-N 3.23Å; T14-I90 WeakPolarHBondContact O-CG1 3.29Å; T14-V165 HydrophobicContact CG2-CG1 3.99Å; T14-D167 PolarHBondContact OG1-N 3.36Å; T14-D167 PolarHBondContact OG1-OD1 3.05Å
15L98.2Very high96Very high0 Ų018.8 Ų18.80%010%0.096CC..THydrogen-bonded Turntrans-107.5-31.4176.6-70.2-179.1000112F9 D10 C11 I90 A93 L97 V106 M124 F128F9-L15 HydrophobicContact CB-CD1 3.67Å; F9-L15 HydrophobicContact CB-CG 4.09Å; F9-L15 HydrophobicContact CD1-CD2 3.9Å; F9-L15 HydrophobicContact CD1-CG 4.3Å; F9-L15 HydrophobicContact CE1-CD2 4.38Å; F9-L15 HydrophobicContact CG-CD1 4.1Å; F9-L15 HydrophobicContact CG-CD2 4.27Å; F9-L15 HydrophobicContact CG-CG 4.37Å; D10-L15 WeakPolarHBondContact O-CG 3.43Å; C11-L15 PolarHBondContact O-N 3.41Å; L15-I90 PolarHBondContact O-N 3.14Å; L15-A93 HydrophobicContact CD2-CB 4.14Å; L15-L97 HydrophobicContact CD1-CD1 4.47Å; L15-L97 HydrophobicContact CD2-CD1 4.29Å; L15-L97 HydrophobicContact CD2-CD2 4.27Å; L15-L97 HydrophobicContact CD2-CG 4.4Å; L15-V106 HydrophobicContact CD1-CG2 4.23Å; L15-M124 HydrophobicContact CB-CE 3.99Å; L15-M124 HydrophobicContact CD1-CE 4.45Å; L15-M124 HydrophobicContact CD2-CE 4.25Å; L15-M124 HydrophobicContact CG-CE 4.46Å; L15-F128 HydrophobicContact CD1-CE2 4.06Å; L15-F128 HydrophobicContact CD1-CZ 3.74Å
16V97.5Very high95.9Very high0 Ų016.5 Ų16.50%09%0.085CC..EExtended strand (participates in β ladder)trans-120.1127-174.8-179.30000109.2C11 G13 S18 L87 M119 L122C11-V16 PolarHBondContact O-N 3.3Å; G13-V16 PolarHBondContact N-O 3.03Å; V16-S18 VanDerWaalsContact C-N 3.28Å; V16-S18 PolarHBondContact O-N 3.27Å; V16-L87 HydrophobicContact CG1-CD1 3.48Å; V16-L87 VanDerWaalsContact CG1-CD1 3.48Å; V16-L87 HydrophobicContact CG1-CD2 3.84Å; V16-L87 HydrophobicContact CG1-CG 3.86Å; V16-M119 HydrophobicContact CG2-CG 4.38Å; V16-L122 HydrophobicContact CB-CD1 4.29Å; V16-L122 HydrophobicContact CG1-CD1 3.92Å; V16-L122 HydrophobicContact CG2-CD1 3.86Å
17D95.6Very high95.8Very high72 Ų7217.5 Ų17.539%0.3859%0.091SC..EExtended strand (participates in β ladder)trans-80.477.4175.8-165.9-4.9000110.6E88 I90D17-E88 PolarHBondContact N-O 2.96Å; D17-I90 HydrophobicContact CB-CD1 3.78Å; D17-I90 HydrophobicContact CB-CG1 4.5Å
18S94.3Very high95.7Very high0 Ų019.4 Ų19.40%010%0.102CC..  trans-106.6-11.5-173.488.30000114.7D12 V16 V20 I21 C22 K114D12-S18 WeakPolarHBondContact CB-OG 3.46Å; D12-S18 PolarHBondContact OD1-OG 3.38Å; V16-S18 VanDerWaalsContact C-N 3.28Å; V16-S18 PolarHBondContact O-N 3.27Å; S18-V20 PolarHBondContact O-N 3.38Å; S18-I21 PolarHBondContact O-N 3.11Å; S18-C22 WeakPolarHBondContact O-CB 3.44Å; S18-C22 PolarHBondContact O-N 2.99Å; S18-C22 PolarHBondContact O-SG 2.98Å; S18-K114 PolarHBondContact OG-NZ 3.29Å
19E91Very high95.7Very high39 Ų3919.4 Ų19.418%0.18210%0.102CC..Hα-helixtrans-67-43.3-168.2-70.6-62126.900112.5I21 C22 S23 F43E19-I21 VanDerWaalsContact C-N 3.34Å; E19-C22 PolarHBondContact O-N 3.06Å; E19-S23 WeakPolarHBondContact O-CB 3.37Å; E19-S23 PolarHBondContact O-N 2.82Å; E19-S23 PolarHBondContact O-OG 3.2Å; E19-F43 HydrophobicContact CB-CE2 3.93Å
20V91.4Very high95.6Very high75 Ų7519.4 Ų19.446%0.45510%0.102SC..Hα-helixtrans-65.4-40.5176.6177.20000110.7S18 S23 R24 F43S18-V20 PolarHBondContact O-N 3.38Å; V20-S23 PolarHBondContact O-N 2.89Å; V20-R24 WeakPolarHBondContact O-CG 3.29Å; V20-R24 PolarHBondContact O-N 2.99Å; V20-F43 HydrophobicContact CG2-CD2 4.42Å; V20-F43 HydrophobicContact CG2-CE2 3.96Å
21I94.4Very high95.5Very high10 Ų1024.7 Ų24.75%0.05113%0.127CC..Hα-helixtrans-63.5-47.7176.6-71.8171.3000110.7S18 E19 S23 R24 A25 L82 F83 E86 L87S18-I21 PolarHBondContact O-N 3.11Å; E19-I21 VanDerWaalsContact C-N 3.34Å; I21-S23 VanDerWaalsContact C-N 3.28Å; I21-S23 PolarHBondContact O-N 3.17Å; I21-R24 PolarHBondContact O-N 3.36Å; I21-A25 PolarHBondContact O-N 3.19Å; I21-L82 HydrophobicContact CG2-CB 3.4Å; I21-L82 HydrophobicContact CG2-CD1 3.85Å; I21-L82 HydrophobicContact CG2-CG 4.26Å; I21-F83 HydrophobicContact CB-CD1 4.46Å; I21-F83 HydrophobicContact CB-CE1 4.2Å; I21-F83 HydrophobicContact CD1-CD1 4.15Å; I21-F83 HydrophobicContact CD1-CE1 4.43Å; I21-F83 HydrophobicContact CG2-CD1 3.68Å; I21-F83 HydrophobicContact CG2-CE1 3.65Å; I21-E86 HydrophobicContact CD1-CB 4.23Å; I21-L87 HydrophobicContact CD1-CB 4.41Å; I21-L87 HydrophobicContact CD1-CD1 3.88Å
22C93.8Very high95.4Very high6 Ų631.3 Ų31.34%0.04116%0.158CC..Hα-helixtrans-60.1-40.9177.9-670000111S18 E19 A25 Y26 Y75S18-C22 WeakPolarHBondContact O-CB 3.44Å; S18-C22 PolarHBondContact O-N 2.99Å; S18-C22 PolarHBondContact O-SG 2.98Å; E19-C22 PolarHBondContact O-N 3.06Å; C22-A25 WeakPolarHBondContact O-CB 3.48Å; C22-A25 PolarHBondContact O-N 3.45Å; C22-Y26 WeakPolarHBondContact O-CD2 3.47Å; C22-Y26 PolarHBondContact O-N 3.39Å; C22-Y26 VanDerWaalsContact O-N 3.08Å; C22-Y75 WeakPolarHBondContact CB-OH 3.33Å; C22-Y75 WeakPolarHBondContact O-CE2 3.25Å
23S93.4Very high95.5Very high4 Ų433.1 Ų33.13%0.02817%0.165CC..Hα-helixtrans-64-43.3177.4-62.60000112.7E19 V20 I21 A25 Y26 V27 V42 F43E19-S23 WeakPolarHBondContact O-CB 3.37Å; E19-S23 PolarHBondContact O-N 2.82Å; E19-S23 PolarHBondContact O-OG 3.2Å; V20-S23 PolarHBondContact O-N 2.89Å; I21-S23 VanDerWaalsContact C-N 3.28Å; I21-S23 PolarHBondContact O-N 3.17Å; S23-A25 VanDerWaalsContact C-N 3.29Å; S23-A25 PolarHBondContact O-N 3.47Å; S23-Y26 WeakPolarHBondContact O-CB 3.42Å; S23-Y26 PolarHBondContact O-N 3.34Å; S23-V27 PolarHBondContact O-N 2.9Å; S23-V42 WeakPolarHBondContact O-CG1 3.36Å; S23-F43 WeakPolarHBondContact OG-CD2 3.39Å
24R95Very high95.5Very high84 Ų8436 Ų3632%0.31719%0.194SC..Hα-helixtrans-64-34.2173.7-75.316956.5-154.1-1.5112.8V20 I21 Y26 V27 T28 L82 E86V20-R24 WeakPolarHBondContact O-CG 3.29Å; V20-R24 PolarHBondContact O-N 2.99Å; I21-R24 PolarHBondContact O-N 3.36Å; R24-Y26 VanDerWaalsContact C-N 3.33Å; R24-V27 PolarHBondContact O-N 3.04Å; R24-T28 PolarHBondContact O-N 3.21Å; R24-T28 PolarHBondContact O-OG1 3.2Å; R24-L82 HydrophobicContact CB-CD1 4.35Å; R24-E86 IonicContact CZ-OE1 3.54Å; R24-E86 IonicContact CZ-OE2 3.11Å; R24-E86 IonicContact NH1-OE1 2.79Å; R24-E86 IonicContact NH1-OE2 3.94Å; R24-E86 PolarHBondContact NH1-OE2 2.67Å; R24-E86 IonicContact NH2-OE1 2.67Å; R24-E86 PolarHBondContact NH2-OE1 3.46Å; R24-E86 IonicContact NH2-OE2 2.65Å; R24-E86 PolarHBondContact NH2-OE2 2.96Å
25A96.7Very high95.5Very high0 Ų036.3 Ų36.30%020%0.196CC..Hα-helixtrans-66.8-33.417500000112.1I21 C22 S23 M29 Y75 E78 V79 L82I21-A25 PolarHBondContact O-N 3.19Å; C22-A25 WeakPolarHBondContact O-CB 3.48Å; C22-A25 PolarHBondContact O-N 3.45Å; S23-A25 VanDerWaalsContact C-N 3.29Å; S23-A25 PolarHBondContact O-N 3.47Å; A25-M29 VanDerWaalsContact O-CB 3.22Å; A25-M29 WeakPolarHBondContact O-CB 3.46Å; A25-M29 PolarHBondContact O-N 3.19Å; A25-Y75 HydrophobicContact CB-CD2 3.72Å; A25-Y75 HydrophobicContact CB-CE2 3.68Å; A25-E78 HydrophobicContact CB-CB 4.19Å; A25-E78 HydrophobicContact CB-CG 3.93Å; A25-V79 HydrophobicContact CB-CG2 3.5Å; A25-L82 HydrophobicContact CB-CD1 4.41Å
26Y96.6Very high95.4Very high20 Ų2042.2 Ų42.28%0.07823%0.232CC..Hα-helixtrans-62.6-47.1170.3-61.9-47.8000111.8C22 S23 R24 T28 M29 F30 V42 L51 I54 Y75C22-Y26 WeakPolarHBondContact O-CD2 3.47Å; C22-Y26 PolarHBondContact O-N 3.39Å; C22-Y26 VanDerWaalsContact O-N 3.08Å; S23-Y26 WeakPolarHBondContact O-CB 3.42Å; S23-Y26 PolarHBondContact O-N 3.34Å; R24-Y26 VanDerWaalsContact C-N 3.33Å; Y26-T28 VanDerWaalsContact C-N 3.31Å; Y26-T28 PolarHBondContact O-N 3.48Å; Y26-M29 PolarHBondContact O-N 2.94Å; Y26-F30 WeakPolarHBondContact O-CD2 3.48Å; Y26-F30 PolarHBondContact O-N 2.86Å; Y26-V42 HydrophobicContact CD2-CG1 3.89Å; Y26-V42 HydrophobicContact CG-CG1 4.4Å; Y26-L51 HydrophobicContact CD1-CD1 4.06Å; Y26-L51 HydrophobicContact CE1-CD1 3.64Å; Y26-I54 HydrophobicContact CD1-CD1 4.4Å; Y26-I54 HydrophobicContact CD2-CD1 4.29Å; Y26-I54 HydrophobicContact CE1-CD1 3.75Å; Y26-I54 HydrophobicContact CE2-CD1 3.64Å; Y26-I54 WeakPolarHBondContact OH-CD1 3.46Å; Y26-Y75 AromaticContact CD1-CD2 3.51Å; Y26-Y75 HydrophobicContact CD1-CD2 3.51Å; Y26-Y75 AromaticContact CD1-CE2 3.33Å; Y26-Y75 HydrophobicContact CD1-CE2 3.33Å; Y26-Y75 HydrophobicContact CD1-CG 4.45Å; Y26-Y75 AromaticContact CE1-CD2 3.66Å; Y26-Y75 HydrophobicContact CE1-CD2 3.66Å; Y26-Y75 HydrophobicContact CE1-CE1 4.28Å; Y26-Y75 AromaticContact CE1-CE2 3.15Å; Y26-Y75 HydrophobicContact CE1-CE2 3.15Å; Y26-Y75 HydrophobicContact CE1-CG 4.4Å; Y26-Y75 AromaticContact CE1-CZ 3.51Å; Y26-Y75 HydrophobicContact CE2-CE2 4.48Å; Y26-Y75 HydrophobicContact CG-CD2 4.41Å; Y26-Y75 HydrophobicContact CG-CE2 4.07Å; Y26-Y75 AromaticContact CZ-CE2 3.77Å; Y26-Y75 AromaticContact CZ-CZ 3.87Å; Y26-Y75 PolarHBondContact OH-OH 2.88Å
27V96.7Very high95.4Very high21 Ų2143.3 Ų43.313%0.12724%0.238CC..Hα-helixtrans-56.7-48.5179176.50000110.5S23 R24 F30 Q31 P39 V42S23-V27 PolarHBondContact O-N 2.9Å; R24-V27 PolarHBondContact O-N 3.04Å; V27-F30 PolarHBondContact O-N 3.29Å; V27-Q31 WeakPolarHBondContact O-CB 3.16Å; V27-Q31 PolarHBondContact O-N 3.14Å; V27-P39 HydrophobicContact CG1-CG 4.44Å; V27-P39 HydrophobicContact CG2-CB 4.13Å; V27-P39 HydrophobicContact CG2-CG 4.1Å; V27-V42 HydrophobicContact CG2-CB 4.24Å; V27-V42 HydrophobicContact CG2-CG1 4.32Å; V27-V42 HydrophobicContact CG2-CG2 4.02Å
28T96.7Very high95.3Very high40 Ų4044 Ų4425%0.24524%0.242CC..Hα-helixtrans-63.3-46.3178.9-53.60000111.4R24 Y26 F30 Q31 E32 E78R24-T28 PolarHBondContact O-N 3.21Å; R24-T28 PolarHBondContact O-OG1 3.2Å; Y26-T28 VanDerWaalsContact C-N 3.31Å; Y26-T28 PolarHBondContact O-N 3.48Å; T28-F30 PolarHBondContact O-N 2.96Å; T28-Q31 WeakPolarHBondContact O-CB 3.39Å; T28-Q31 PolarHBondContact O-N 2.83Å; T28-E32 PolarHBondContact O-N 3.1Å; T28-E78 HydrophobicContact CG2-CG 3.99Å
29M97.5Very high95.1Very high0 Ų047 Ų470%026%0.261CS..Hα-helixtrans-55.2-51.5176.3175.8-159.47100111.2A25 Y26 Q31 E32 F33 L51 I55 A71 V74A25-M29 VanDerWaalsContact O-CB 3.22Å; A25-M29 WeakPolarHBondContact O-CB 3.46Å; A25-M29 PolarHBondContact O-N 3.19Å; Y26-M29 PolarHBondContact O-N 2.94Å; M29-Q31 VanDerWaalsContact C-N 3.31Å; M29-Q31 PolarHBondContact O-N 3.35Å; M29-E32 WeakPolarHBondContact O-CB 3.31Å; M29-E32 PolarHBondContact O-N 3.09Å; M29-F33 HydrophobicContact CG-CE2 4.14Å; M29-F33 WeakPolarHBondContact O-CD2 3.29Å; M29-L51 HydrophobicContact SD-CD1 4.12Å; M29-I55 HydrophobicContact CE-CG1 4.15Å; M29-I55 HydrophobicContact SD-CG1 4.49Å; M29-A71 HydrophobicContact CG-CB 4.23Å; M29-A71 WeakPolarHBondContact CG-O 3.48Å; M29-A71 HydrophobicContact SD-CB 3.74Å; M29-V74 HydrophobicContact CB-CG1 4.18Å; M29-V74 HydrophobicContact CG-CB 4.25Å; M29-V74 HydrophobicContact CG-CG1 4.26Å
30F97.6Very high95Very high0 Ų051.5 Ų51.50%028%0.282CS..Hα-helixtrans-67.2-32-179-78.4-62.1000112.9Y26 V27 T28 E32 F33 G34 I35 L37 I54 I55 V58 L66Y26-F30 WeakPolarHBondContact O-CD2 3.48Å; Y26-F30 PolarHBondContact O-N 2.86Å; V27-F30 PolarHBondContact O-N 3.29Å; T28-F30 PolarHBondContact O-N 2.96Å; F30-E32 VanDerWaalsContact C-N 3.31Å; F30-E32 PolarHBondContact O-N 3.43Å; F30-F33 CarbonylContact O-C 3.53Å; F30-F33 WeakPolarHBondContact O-CA 3.47Å; F30-F33 PolarHBondContact O-N 3.08Å; F30-G34 PolarHBondContact O-N 2.91Å; F30-I35 CarbonylContact C-O 3.42Å; F30-I35 HydrophobicContact CB-CB 4.04Å; F30-I35 HydrophobicContact CB-CG2 4.22Å; F30-I35 HydrophobicContact CD1-CD1 4.1Å; F30-I35 PolarHBondContact O-N 3.47Å; F30-L37 HydrophobicContact CB-CD1 4.02Å; F30-L37 HydrophobicContact CB-CG 4.29Å; F30-L37 HydrophobicContact CD2-CD1 3.27Å; F30-L37 HydrophobicContact CD2-CG 4.38Å; F30-L37 HydrophobicContact CE2-CD1 3.84Å; F30-L37 HydrophobicContact CG-CD1 3.8Å; F30-I54 HydrophobicContact CE2-CG2 3.83Å; F30-I54 HydrophobicContact CZ-CG2 4.05Å; F30-I55 HydrophobicContact CZ-CG1 4.4Å; F30-V58 HydrophobicContact CD1-CB 4.3Å; F30-V58 HydrophobicContact CD1-CG1 3.65Å; F30-V58 HydrophobicContact CD2-CG1 4.38Å; F30-V58 HydrophobicContact CE1-CB 3.55Å; F30-V58 HydrophobicContact CE1-CG1 3.41Å; F30-V58 VanDerWaalsContact CE1-CG1 3.41Å; F30-V58 HydrophobicContact CE1-CG2 4.2Å; F30-V58 HydrophobicContact CE2-CB 4.1Å; F30-V58 HydrophobicContact CE2-CG1 4.18Å; F30-V58 HydrophobicContact CE2-CG2 3.8Å; F30-V58 HydrophobicContact CG-CG1 4.13Å; F30-V58 HydrophobicContact CZ-CB 3.43Å; F30-V58 VanDerWaalsContact CZ-CB 3.43Å; F30-V58 HydrophobicContact CZ-CG1 3.7Å; F30-V58 HydrophobicContact CZ-CG2 3.59Å; F30-L66 HydrophobicContact CD1-CD2 3.84Å; F30-L66 HydrophobicContact CE1-CD2 3.8Å
31Q96.9Very high95Very high121 Ų12153 Ų5357%0.56528%0.284SS*.Hα-helixtrans-61.8-37.9175.2-173.7175.12.700112.2V27 T28 M29 F33 G34 I35V27-Q31 WeakPolarHBondContact O-CB 3.16Å; V27-Q31 PolarHBondContact O-N 3.14Å; T28-Q31 WeakPolarHBondContact O-CB 3.39Å; T28-Q31 PolarHBondContact O-N 2.83Å; M29-Q31 VanDerWaalsContact C-N 3.31Å; M29-Q31 PolarHBondContact O-N 3.35Å; Q31-F33 PolarHBondContact O-N 2.77Å; Q31-G34 PolarHBondContact O-N 3.33Å; Q31-I35 VanDerWaalsContact CA-O 3.29Å; Q31-I35 WeakPolarHBondContact CA-O 3.43Å; Q31-I35 PolarHBondContact N-O 2.82Å; Q31-I35 VanDerWaalsContact N-O 3.16Å
32E95.2Very high94.9Very high139 Ų13952.7 Ų52.765%0.6528%0.283SS*.Hα-helixtrans-61.3-27.1173.4-67.4-64.8145.700112.5T28 M29 F30 G34 V74T28-E32 PolarHBondContact O-N 3.1Å; M29-E32 WeakPolarHBondContact O-CB 3.31Å; M29-E32 PolarHBondContact O-N 3.09Å; F30-E32 VanDerWaalsContact C-N 3.31Å; F30-E32 PolarHBondContact O-N 3.43Å; E32-G34 VanDerWaalsContact C-N 3.34Å; E32-V74 HydrophobicContact CB-CG1 4.46Å; E32-V74 HydrophobicContact CG-CG1 4.04Å
33F94.9Very high94.7Very high56 Ų5654.5 Ų54.525%0.24629%0.29CS..THydrogen-bonded Turntrans-93.914.4173.6-60-78.2000113.4M29 F30 Q31 I35 L66 E70 A71 V74M29-F33 HydrophobicContact CG-CE2 4.14Å; M29-F33 WeakPolarHBondContact O-CD2 3.29Å; F30-F33 CarbonylContact O-C 3.53Å; F30-F33 WeakPolarHBondContact O-CA 3.47Å; F30-F33 PolarHBondContact O-N 3.08Å; Q31-F33 PolarHBondContact O-N 2.77Å; F33-I35 VanDerWaalsContact C-N 3.34Å; F33-I35 PolarHBondContact O-N 3.36Å; F33-L66 HydrophobicContact CB-CD1 4.44Å; F33-L66 HydrophobicContact CB-CD2 3.88Å; F33-L66 HydrophobicContact CB-CG 4.14Å; F33-L66 HydrophobicContact CD1-CD2 4.29Å; F33-L66 HydrophobicContact CD1-CG 4.12Å; F33-L66 HydrophobicContact CD2-CD2 3.58Å; F33-L66 HydrophobicContact CD2-CG 4.3Å; F33-L66 HydrophobicContact CE2-CD2 4.24Å; F33-L66 HydrophobicContact CG-CD2 3.64Å; F33-L66 HydrophobicContact CG-CG 3.91Å; F33-E70 HydrophobicContact CE1-CG 4.25Å; F33-E70 HydrophobicContact CZ-CB 4.41Å; F33-E70 HydrophobicContact CZ-CG 4.02Å; F33-A71 HydrophobicContact CE2-CB 3.79Å; F33-A71 HydrophobicContact CZ-CB 4.06Å; F33-V74 HydrophobicContact CZ-CG2 4.5Å
34G95.7Very high94.4Very high69 Ų6959.5 Ų59.571%0.71131%0.311SS*.THydrogen-bonded Turntrans77.114.517700000114.9F30 Q31 E32F30-G34 PolarHBondContact O-N 2.91Å; Q31-G34 PolarHBondContact O-N 3.33Å; E32-G34 VanDerWaalsContact C-N 3.34Å
35I97.1Very high94.1Very high7 Ų760.7 Ų60.74%0.03632%0.316CS..  trans-105.4121.1179-61.8173000109.3F30 Q31 F33 L37 V58 H62 V64 L66F30-I35 CarbonylContact C-O 3.42Å; F30-I35 HydrophobicContact CB-CB 4.04Å; F30-I35 HydrophobicContact CB-CG2 4.22Å; F30-I35 HydrophobicContact CD1-CD1 4.1Å; F30-I35 PolarHBondContact O-N 3.47Å; Q31-I35 VanDerWaalsContact CA-O 3.29Å; Q31-I35 WeakPolarHBondContact CA-O 3.43Å; Q31-I35 PolarHBondContact N-O 2.82Å; Q31-I35 VanDerWaalsContact N-O 3.16Å; F33-I35 VanDerWaalsContact C-N 3.34Å; F33-I35 PolarHBondContact O-N 3.36Å; I35-L37 HydrophobicContact CG2-CD2 3.7Å; I35-L37 HydrophobicContact CG2-CG 3.98Å; I35-V58 HydrophobicContact CD1-CG1 3.99Å; I35-V58 HydrophobicContact CG2-CG1 3.98Å; I35-H62 HydrophobicContact CD1-CB 3.97Å; I35-H62 HydrophobicContact CG1-CB 4.27Å; I35-H62 WeakPolarHBondContact CG2-NE2 3.4Å; I35-V64 HydrophobicContact CD1-CG2 3.89Å; I35-L66 HydrophobicContact CD1-CD1 4.17Å
36T96.4Very high93.7Very high123 Ų12361 Ų6176%0.75532%0.317SS*.  trans-95.4119.6174.7-56.80000109.5
37L96Very high93Very high24 Ų2462.7 Ų62.713%0.12633%0.325CS..  trans-113.8147.6175.1-58.5-177.5000110.6F30 I35 V42 V58F30-L37 HydrophobicContact CB-CD1 4.02Å; F30-L37 HydrophobicContact CB-CG 4.29Å; F30-L37 HydrophobicContact CD2-CD1 3.27Å; F30-L37 HydrophobicContact CD2-CG 4.38Å; F30-L37 HydrophobicContact CE2-CD1 3.84Å; F30-L37 HydrophobicContact CG-CD1 3.8Å; I35-L37 HydrophobicContact CG2-CD2 3.7Å; I35-L37 HydrophobicContact CG2-CG 3.98Å; L37-V42 HydrophobicContact CB-CG2 3.63Å; L37-V42 HydrophobicContact CD1-CG2 3.72Å; L37-V42 HydrophobicContact CG-CG2 4.32Å; L37-V58 HydrophobicContact CD1-CG1 4.25Å; L37-V58 HydrophobicContact CD1-CG2 4.16Å; L37-V58 HydrophobicContact CD2-CG1 4.23Å
38D93.8Very high92Very high86 Ų8665.4 Ų65.446%0.4636%0.358SS..  trans-76.3125.7171.1178.676.2000110.5E40 E41 V42D38-E40 VanDerWaalsContact C-N 3.35Å; D38-E40 PolarHBondContact O-N 2.75Å; D38-E40 WeakPolarHBondContact OD2-CA 3.19Å; D38-E40 WeakPolarHBondContact OD2-CB 3.3Å; D38-E40 PolarHBondContact OD2-N 2.88Å; D38-E41 HydrophobicContact CB-CB 4.15Å; D38-E41 HydrophobicContact CB-CG 4.24Å; D38-E41 PolarHBondContact O-N 2.79Å; D38-E41 PolarHBondContact OD2-N 3.09Å; D38-V42 WeakPolarHBondContact O-CB 3.29Å; D38-V42 WeakPolarHBondContact O-CG2 3.37Å; D38-V42 PolarHBondContact O-N 3.11Å
39P90.7Very high91.4Very high64 Ų6465.3 Ų65.342%0.41636%0.357SS..Hα-helixtrans-61.4-36.5-178-23.732.6000114.7V27 F43V27-P39 HydrophobicContact CG1-CG 4.44Å; V27-P39 HydrophobicContact CG2-CB 4.13Å; V27-P39 HydrophobicContact CG2-CG 4.1Å; P39-F43 WeakPolarHBondContact O-CB 3.35Å; P39-F43 PolarHBondContact O-N 3.13Å
40E88.9Confident90.9Very high133 Ų13371.2 Ų71.262%0.62138%0.382SS*.Hα-helixtrans-70.2-40.8-179.4-63.1-174.6-175.800111D38 F43 K44D38-E40 VanDerWaalsContact C-N 3.35Å; D38-E40 PolarHBondContact O-N 2.75Å; D38-E40 WeakPolarHBondContact OD2-CA 3.19Å; D38-E40 WeakPolarHBondContact OD2-CB 3.3Å; D38-E40 PolarHBondContact OD2-N 2.88Å; E40-F43 PolarHBondContact O-N 3.07Å; E40-K44 WeakPolarHBondContact O-CG 3.49Å; E40-K44 PolarHBondContact O-N 2.95Å
41E90.6Very high90.5Very high105 Ų10572.2 Ų72.249%0.49139%0.388SS..Hα-helixtrans-67.9-40.1175.5-69.4-57.8116.100111.9D38 F43 K44 R45D38-E41 HydrophobicContact CB-CB 4.15Å; D38-E41 HydrophobicContact CB-CG 4.24Å; D38-E41 PolarHBondContact O-N 2.79Å; D38-E41 PolarHBondContact OD2-N 3.09Å; E41-F43 VanDerWaalsContact C-N 3.34Å; E41-F43 PolarHBondContact O-N 3.01Å; E41-K44 PolarHBondContact O-N 3.38Å; E41-K44 IonicContact OE1-NZ 3.2Å; E41-K44 PolarHBondContact OE1-NZ 3.26Å; E41-K44 VanDerWaalsContact OE1-NZ 3.13Å; E41-R45 WeakPolarHBondContact O-CB 3.5Å; E41-R45 PolarHBondContact O-N 3.19Å
42V92.6Very high90.4Very high5 Ų570.8 Ų70.83%0.0338%0.378CS..Hα-helixtrans-57.5-48172.9163.50000110.8S23 Y26 V27 L37 D38 R45 F46S23-V42 WeakPolarHBondContact O-CG1 3.36Å; Y26-V42 HydrophobicContact CD2-CG1 3.89Å; Y26-V42 HydrophobicContact CG-CG1 4.4Å; V27-V42 HydrophobicContact CG2-CB 4.24Å; V27-V42 HydrophobicContact CG2-CG1 4.32Å; V27-V42 HydrophobicContact CG2-CG2 4.02Å; L37-V42 HydrophobicContact CB-CG2 3.63Å; L37-V42 HydrophobicContact CD1-CG2 3.72Å; L37-V42 HydrophobicContact CG-CG2 4.32Å; D38-V42 WeakPolarHBondContact O-CB 3.29Å; D38-V42 WeakPolarHBondContact O-CG2 3.37Å; D38-V42 PolarHBondContact O-N 3.11Å; V42-R45 PolarHBondContact O-N 2.87Å; V42-F46 HydrophobicContact CB-CD2 4.43Å; V42-F46 HydrophobicContact CG1-CD2 4.18Å; V42-F46 HydrophobicContact CG2-CD2 4.35Å; V42-F46 HydrophobicContact CG2-CE2 4.47Å; V42-F46 WeakPolarHBondContact O-CB 3.44Å; V42-F46 PolarHBondContact O-N 3.46Å
43F89.4Confident90.3Very high44 Ų4469 Ų6919%0.19337%0.369CS..Hα-helixtrans-58.8-52.8179-179-95.3000111.4E19 V20 S23 P39 E40 E41 R45 K47E19-F43 HydrophobicContact CB-CE2 3.93Å; V20-F43 HydrophobicContact CG2-CD2 4.42Å; V20-F43 HydrophobicContact CG2-CE2 3.96Å; S23-F43 WeakPolarHBondContact OG-CD2 3.39Å; P39-F43 WeakPolarHBondContact O-CB 3.35Å; P39-F43 PolarHBondContact O-N 3.13Å; E40-F43 PolarHBondContact O-N 3.07Å; E41-F43 VanDerWaalsContact C-N 3.34Å; E41-F43 PolarHBondContact O-N 3.01Å; F43-R45 VanDerWaalsContact C-N 3.33Å; F43-R45 PolarHBondContact O-N 2.92Å; F43-K47 VanDerWaalsContact O-CB 3.29Å; F43-K47 WeakPolarHBondContact O-CB 3.18Å; F43-K47 PolarHBondContact O-N 3.15Å
44K87Confident90.3Very high108 Ų10866.3 Ų66.347%0.4736%0.357SS..Hα-helixtrans-63.2-39.3-178.4-67.9170.8-158.7153.90112.8E40 E41E40-K44 WeakPolarHBondContact O-CG 3.49Å; E40-K44 PolarHBondContact O-N 2.95Å; E41-K44 PolarHBondContact O-N 3.38Å; E41-K44 IonicContact OE1-NZ 3.2Å; E41-K44 PolarHBondContact OE1-NZ 3.26Å; E41-K44 VanDerWaalsContact OE1-NZ 3.13Å
45R88.6Confident90.3Very high110 Ų11063 Ų6342%0.41532%0.324SS..Hα-helixtrans-84.2-36.6-169.8-172.6-176.9174.7-171.63.7113.1E41 V42 F43 E61E41-R45 WeakPolarHBondContact O-CB 3.5Å; E41-R45 PolarHBondContact O-N 3.19Å; V42-R45 PolarHBondContact O-N 2.87Å; F43-R45 VanDerWaalsContact C-N 3.33Å; F43-R45 PolarHBondContact O-N 2.92Å; R45-E61 IonicContact CZ-OE1 2.67Å; R45-E61 VanDerWaalsContact CZ-OE1 3.25Å; R45-E61 IonicContact CZ-OE2 2.65Å; R45-E61 VanDerWaalsContact NH1-CD 3.3Å; R45-E61 IonicContact NH1-OE1 2.67Å; R45-E61 PolarHBondContact NH1-OE1 3.41Å; R45-E61 VanDerWaalsContact NH1-OE1 3.07Å; R45-E61 IonicContact NH1-OE2 3.27Å; R45-E61 PolarHBondContact NH1-OE2 3.05Å; R45-E61 IonicContact NH2-OE1 2.67Å; R45-E61 PolarHBondContact NH2-OE1 3.01Å; R45-E61 IonicContact NH2-OE2 2.71Å
46F89.3Confident90.3Very high7 Ų766.4 Ų66.43%0.03134%0.342CS..Hα-helixtrans-110.42.2-169.7-61.4-42.1000114.1V42 G48 V49 I54 I57 V58V42-F46 HydrophobicContact CB-CD2 4.43Å; V42-F46 HydrophobicContact CG1-CD2 4.18Å; V42-F46 HydrophobicContact CG2-CD2 4.35Å; V42-F46 HydrophobicContact CG2-CE2 4.47Å; V42-F46 WeakPolarHBondContact O-CB 3.44Å; V42-F46 PolarHBondContact O-N 3.46Å; F46-G48 PolarHBondContact O-N 2.96Å; F46-V49 WeakPolarHBondContact O-CB 3.26Å; F46-V49 PolarHBondContact O-N 3.46Å; F46-I54 HydrophobicContact CB-CD1 3.69Å; F46-I54 HydrophobicContact CB-CG1 3.89Å; F46-I54 HydrophobicContact CB-CG2 4.5Å; F46-I54 HydrophobicContact CD1-CB 4.43Å; F46-I54 HydrophobicContact CD1-CG1 3.83Å; F46-I54 HydrophobicContact CD1-CG2 4.18Å; F46-I54 HydrophobicContact CD2-CG1 4.5Å; F46-I54 HydrophobicContact CD2-CG2 3.68Å; F46-I54 HydrophobicContact CE1-CG1 4.49Å; F46-I54 HydrophobicContact CE1-CG2 4.29Å; F46-I54 HydrophobicContact CE2-CG2 3.81Å; F46-I54 HydrophobicContact CG-CB 4.44Å; F46-I54 HydrophobicContact CG-CD1 4.15Å; F46-I54 HydrophobicContact CG-CG1 3.84Å; F46-I54 HydrophobicContact CG-CG2 3.88Å; F46-I54 HydrophobicContact CZ-CG2 4.12Å; F46-I57 HydrophobicContact CE1-CB 4.41Å; F46-I57 HydrophobicContact CE1-CD1 4.19Å; F46-I57 HydrophobicContact CE1-CG2 3.97Å; F46-I57 HydrophobicContact CZ-CG2 4.05Å; F46-V58 HydrophobicContact CE2-CG2 3.72Å; F46-V58 HydrophobicContact CZ-CG2 3.61Å
47K82Confident90.3Very high54 Ų5462.8 Ų62.824%0.23532%0.318CS..THydrogen-bonded Turntrans-51.7123168.9-171.9177.6-174.2-171.70110.8F43 V49 D188 N191F43-K47 VanDerWaalsContact O-CB 3.29Å; F43-K47 WeakPolarHBondContact O-CB 3.18Å; F43-K47 PolarHBondContact O-N 3.15Å; K47-V49 PolarHBondContact O-N 3.44Å; K47-D188 IonicContact NZ-OD2 3.57Å; K47-D188 PolarHBondContact NZ-OD2 3.32Å; K47-N191 PolarHBondContact NZ-OD1 3.13Å
48G75.6Confident90.4Very high79 Ų7961.7 Ų61.781%0.81431%0.312SS*.THydrogen-bonded Turntrans71.82.5-17900000116.1F46F46-G48 PolarHBondContact O-N 2.96Å
49V84.3Confident90.5Very high38 Ų3858 Ų5823%0.2329%0.293CS..  trans-86144.2177.9-1740000110F46 K47 E53 I54F46-V49 WeakPolarHBondContact O-CB 3.26Å; F46-V49 PolarHBondContact O-N 3.46Å; K47-V49 PolarHBondContact O-N 3.44Å; V49-E53 HydrophobicContact CG1-CB 4.03Å; V49-E53 HydrophobicContact CG1-CG 3.88Å; V49-I54 HydrophobicContact CB-CD1 4.17Å; V49-I54 HydrophobicContact CB-CG1 3.88Å; V49-I54 HydrophobicContact CG1-CD1 4.49Å; V49-I54 HydrophobicContact CG1-CG1 3.72Å; V49-I54 WeakPolarHBondContact O-CD1 3.33Å
50K85.6Confident90.7Very high123 Ų12361.9 Ų61.954%0.53531%0.309SS..  trans-68.9136-179.8-65.9179.5-178.41780110.5Y52 E53 I54K50-Y52 VanDerWaalsContact C-N 3.27Å; K50-Y52 PolarHBondContact O-N 2.97Å; K50-Y52 VanDerWaalsContact O-N 3.1Å; K50-E53 HydrophobicContact CB-CB 4.3Å; K50-E53 WeakPolarHBondContact O-CA 3.45Å; K50-E53 WeakPolarHBondContact O-CB 3.36Å; K50-E53 PolarHBondContact O-N 2.8Å; K50-I54 WeakPolarHBondContact O-CG1 3.48Å; K50-I54 PolarHBondContact O-N 3.48Å
51L91Very high91.1Very high21 Ų2160.4 Ų60.411%0.1130%0.302CS..Hα-helixtrans-45.2-47.1177.8171.264.6000113.7Y26 M29 E53 I54 I55 E72 Y75Y26-L51 HydrophobicContact CD1-CD1 4.06Å; Y26-L51 HydrophobicContact CE1-CD1 3.64Å; M29-L51 HydrophobicContact SD-CD1 4.12Å; L51-E53 VanDerWaalsContact C-N 3.31Å; L51-E53 PolarHBondContact O-N 2.76Å; L51-I54 WeakPolarHBondContact O-CB 3.41Å; L51-I54 PolarHBondContact O-N 3.45Å; L51-I55 HydrophobicContact CD1-CD1 3.87Å; L51-I55 HydrophobicContact CD1-CG1 4.21Å; L51-I55 HydrophobicContact CG-CD1 3.92Å; L51-I55 VanDerWaalsContact O-CG1 3.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.24Å; L51-I55 PolarHBondContact O-N 2.91Å; L51-E72 HydrophobicContact CD2-CB 3.85Å; L51-E72 HydrophobicContact CD2-CG 3.76Å; L51-Y75 HydrophobicContact CD1-CD1 4.04Å; L51-Y75 HydrophobicContact CD1-CD2 4.41Å; L51-Y75 HydrophobicContact CD1-CE1 4.49Å; L51-Y75 HydrophobicContact CD1-CG 3.99Å; L51-Y75 HydrophobicContact CD2-CD1 3.68Å; L51-Y75 HydrophobicContact CD2-CE1 4.2Å; L51-Y75 HydrophobicContact CD2-CG 4.32Å; L51-Y75 HydrophobicContact CG-CD1 4.45Å
52Y93Very high91.4Very high91 Ų9159.4 Ų59.436%0.35730%0.297SS..Hα-helixtrans-67.4-31.3-179.3-81.211.3000113.6K50 I55 D56 K68 E72K50-Y52 VanDerWaalsContact C-N 3.27Å; K50-Y52 PolarHBondContact O-N 2.97Å; K50-Y52 VanDerWaalsContact O-N 3.1Å; Y52-I55 HydrophobicContact CD1-CD1 4.13Å; Y52-D56 VanDerWaalsContact O-CG 3.25Å; Y52-D56 PolarHBondContact O-N 2.92Å; Y52-K68 HydrophobicContact CD1-CB 4.08Å; Y52-K68 HydrophobicContact CD1-CD 4.3Å; Y52-K68 HydrophobicContact CD2-CD 3.86Å; Y52-K68 HydrophobicContact CE1-CB 3.77Å; Y52-K68 HydrophobicContact CE2-CB 4.34Å; Y52-K68 HydrophobicContact CE2-CD 4.24Å; Y52-K68 HydrophobicContact CG-CB 4.46Å; Y52-K68 HydrophobicContact CG-CD 3.88Å; Y52-E72 HydrophobicContact CE1-CB 4.1Å; Y52-E72 PolarHBondContact OH-OE2 3.38Å
53E93.3Very high91.4Very high101 Ų10162.6 Ų62.647%0.47233%0.331SS..Hα-helixtrans-72.9-39.4173.9-179177.8175.900110.5V49 K50 L51 I55 D56 I57V49-E53 HydrophobicContact CG1-CB 4.03Å; V49-E53 HydrophobicContact CG1-CG 3.88Å; K50-E53 HydrophobicContact CB-CB 4.3Å; K50-E53 WeakPolarHBondContact O-CA 3.45Å; K50-E53 WeakPolarHBondContact O-CB 3.36Å; K50-E53 PolarHBondContact O-N 2.8Å; L51-E53 VanDerWaalsContact C-N 3.31Å; L51-E53 PolarHBondContact O-N 2.76Å; E53-I55 VanDerWaalsContact C-N 3.32Å; E53-I55 PolarHBondContact O-N 2.94Å; E53-D56 PolarHBondContact O-N 2.93Å; E53-I57 HydrophobicContact CG-CD1 3.9Å; E53-I57 HydrophobicContact CG-CG1 4.47Å; E53-I57 WeakPolarHBondContact O-CB 3.49Å; E53-I57 VanDerWaalsContact O-CG1 3.24Å; E53-I57 WeakPolarHBondContact O-CG1 3.39Å; E53-I57 PolarHBondContact O-N 3.28Å
54I95.1Very high91.6Very high0 Ų063.3 Ų63.30%034%0.339CS..Hα-helixtrans-58.2-46.6171.9-61.2168.2000110.2Y26 F30 F46 V49 K50 L51 D56 I57 V58Y26-I54 HydrophobicContact CD1-CD1 4.4Å; Y26-I54 HydrophobicContact CD2-CD1 4.29Å; Y26-I54 HydrophobicContact CE1-CD1 3.75Å; Y26-I54 HydrophobicContact CE2-CD1 3.64Å; Y26-I54 WeakPolarHBondContact OH-CD1 3.46Å; F30-I54 HydrophobicContact CE2-CG2 3.83Å; F30-I54 HydrophobicContact CZ-CG2 4.05Å; F46-I54 HydrophobicContact CB-CD1 3.69Å; F46-I54 HydrophobicContact CB-CG1 3.89Å; F46-I54 HydrophobicContact CB-CG2 4.5Å; F46-I54 HydrophobicContact CD1-CB 4.43Å; F46-I54 HydrophobicContact CD1-CG1 3.83Å; F46-I54 HydrophobicContact CD1-CG2 4.18Å; F46-I54 HydrophobicContact CD2-CG1 4.5Å; F46-I54 HydrophobicContact CD2-CG2 3.68Å; F46-I54 HydrophobicContact CE1-CG1 4.49Å; F46-I54 HydrophobicContact CE1-CG2 4.29Å; F46-I54 HydrophobicContact CE2-CG2 3.81Å; F46-I54 HydrophobicContact CG-CB 4.44Å; F46-I54 HydrophobicContact CG-CD1 4.15Å; F46-I54 HydrophobicContact CG-CG1 3.84Å; F46-I54 HydrophobicContact CG-CG2 3.88Å; F46-I54 HydrophobicContact CZ-CG2 4.12Å; V49-I54 HydrophobicContact CB-CD1 4.17Å; V49-I54 HydrophobicContact CB-CG1 3.88Å; V49-I54 HydrophobicContact CG1-CD1 4.49Å; V49-I54 HydrophobicContact CG1-CG1 3.72Å; V49-I54 WeakPolarHBondContact O-CD1 3.33Å; K50-I54 WeakPolarHBondContact O-CG1 3.48Å; K50-I54 PolarHBondContact O-N 3.48Å; L51-I54 WeakPolarHBondContact O-CB 3.41Å; L51-I54 PolarHBondContact O-N 3.45Å; I54-D56 PolarHBondContact O-N 2.96Å; I54-I57 PolarHBondContact O-N 2.96Å; I54-V58 HydrophobicContact CG2-CG2 4.42Å; I54-V58 WeakPolarHBondContact O-CG2 3.43Å; I54-V58 PolarHBondContact O-N 3.22Å
55I96.8Very high91.9Very high0 Ų064.9 Ų64.90%036%0.358CS..Hα-helixtrans-59.6-45.6176-67162.1000110.7M29 F30 L51 Y52 E53 S59 L66 K68 A71M29-I55 HydrophobicContact CE-CG1 4.15Å; M29-I55 HydrophobicContact SD-CG1 4.49Å; F30-I55 HydrophobicContact CZ-CG1 4.4Å; L51-I55 HydrophobicContact CD1-CD1 3.87Å; L51-I55 HydrophobicContact CD1-CG1 4.21Å; L51-I55 HydrophobicContact CG-CD1 3.92Å; L51-I55 VanDerWaalsContact O-CG1 3.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.24Å; L51-I55 PolarHBondContact O-N 2.91Å; Y52-I55 HydrophobicContact CD1-CD1 4.13Å; E53-I55 VanDerWaalsContact C-N 3.32Å; E53-I55 PolarHBondContact O-N 2.94Å; I55-S59 WeakPolarHBondContact O-CB 3.27Å; I55-S59 PolarHBondContact O-N 3.19Å; I55-S59 PolarHBondContact O-OG 3.24Å; I55-L66 HydrophobicContact CG2-CB 4.01Å; I55-K68 HydrophobicContact CD1-CB 4.5Å; I55-K68 HydrophobicContact CG2-CG 4.07Å; I55-A71 HydrophobicContact CD1-CB 3.74Å; I55-A71 HydrophobicContact CG1-CB 4.22Å
56D96.7Very high92.1Very high79 Ų7960.5 Ų60.542%0.42234%0.343SS..Hα-helixtrans-60.8-47.3178.4-74.5-31.7000112.1Y52 E53 I54 L60 K68Y52-D56 VanDerWaalsContact O-CG 3.25Å; Y52-D56 PolarHBondContact O-N 2.92Å; E53-D56 PolarHBondContact O-N 2.93Å; I54-D56 PolarHBondContact O-N 2.96Å; D56-L60 WeakPolarHBondContact O-CB 3.29Å; D56-L60 PolarHBondContact O-N 3.49Å; D56-K68 WeakPolarHBondContact OD1-CE 3.32Å; D56-K68 IonicContact OD1-NZ 2.73Å; D56-K68 PolarHBondContact OD1-NZ 2.82Å; D56-K68 IonicContact OD2-NZ 2.67Å; D56-K68 PolarHBondContact OD2-NZ 3.03Å
57I96.6Very high92.3Very high47 Ų4762.4 Ų62.424%0.24136%0.36CS..Hα-helixtrans-60.6-54.1-179.3-71.8167.3000110.6F46 E53 I54 S59 L60 E61F46-I57 HydrophobicContact CE1-CB 4.41Å; F46-I57 HydrophobicContact CE1-CD1 4.19Å; F46-I57 HydrophobicContact CE1-CG2 3.97Å; F46-I57 HydrophobicContact CZ-CG2 4.05Å; E53-I57 HydrophobicContact CG-CD1 3.9Å; E53-I57 HydrophobicContact CG-CG1 4.47Å; E53-I57 WeakPolarHBondContact O-CB 3.49Å; E53-I57 VanDerWaalsContact O-CG1 3.24Å; E53-I57 WeakPolarHBondContact O-CG1 3.39Å; E53-I57 PolarHBondContact O-N 3.28Å; I54-I57 PolarHBondContact O-N 2.96Å; I57-S59 VanDerWaalsContact C-N 3.34Å; I57-S59 PolarHBondContact O-N 2.83Å; I57-L60 PolarHBondContact O-N 3.43Å; I57-E61 WeakPolarHBondContact O-CG 3.43Å; I57-E61 PolarHBondContact O-N 3.06Å; I57-E61 VanDerWaalsContact O-N 3.09Å
58V97Very high92.9Very high0 Ų063 Ų630%036%0.363CS..Hα-helixtrans-67.8-37.2-176.3175.30000111.1F30 I35 L37 F46 I54 L60 E61 H62F30-V58 HydrophobicContact CD1-CB 4.3Å; F30-V58 HydrophobicContact CD1-CG1 3.65Å; F30-V58 HydrophobicContact CD2-CG1 4.38Å; F30-V58 HydrophobicContact CE1-CB 3.55Å; F30-V58 HydrophobicContact CE1-CG1 3.41Å; F30-V58 VanDerWaalsContact CE1-CG1 3.41Å; F30-V58 HydrophobicContact CE1-CG2 4.2Å; F30-V58 HydrophobicContact CE2-CB 4.1Å; F30-V58 HydrophobicContact CE2-CG1 4.18Å; F30-V58 HydrophobicContact CE2-CG2 3.8Å; F30-V58 HydrophobicContact CG-CG1 4.13Å; F30-V58 HydrophobicContact CZ-CB 3.43Å; F30-V58 VanDerWaalsContact CZ-CB 3.43Å; F30-V58 HydrophobicContact CZ-CG1 3.7Å; F30-V58 HydrophobicContact CZ-CG2 3.59Å; I35-V58 HydrophobicContact CD1-CG1 3.99Å; I35-V58 HydrophobicContact CG2-CG1 3.98Å; L37-V58 HydrophobicContact CD1-CG1 4.25Å; L37-V58 HydrophobicContact CD1-CG2 4.16Å; L37-V58 HydrophobicContact CD2-CG1 4.23Å; F46-V58 HydrophobicContact CE2-CG2 3.72Å; F46-V58 HydrophobicContact CZ-CG2 3.61Å; I54-V58 HydrophobicContact CG2-CG2 4.42Å; I54-V58 WeakPolarHBondContact O-CG2 3.43Å; I54-V58 PolarHBondContact O-N 3.22Å; V58-L60 VanDerWaalsContact C-N 3.35Å; V58-L60 PolarHBondContact O-N 3.46Å; V58-E61 PolarHBondContact O-N 2.98Å; V58-H62 PolarHBondContact O-N 3.23Å; V58-H62 VanDerWaalsContact O-N 3.1Å; V58-H62 PolarHBondContact O-ND1 2.81Å
59S96Very high93.8Very high9 Ų964 Ų646%0.06335%0.353CS..Hα-helixtrans-60.1-45.9176-64.70000111.4I55 I57 E61 H62 G63 V64I55-S59 WeakPolarHBondContact O-CB 3.27Å; I55-S59 PolarHBondContact O-N 3.19Å; I55-S59 PolarHBondContact O-OG 3.24Å; I57-S59 VanDerWaalsContact C-N 3.34Å; I57-S59 PolarHBondContact O-N 2.83Å; S59-E61 PolarHBondContact O-N 3.05Å; S59-H62 PolarHBondContact O-N 3.4Å; S59-G63 PolarHBondContact O-N 2.92Å; S59-V64 CarbonylContact C-O 3.48Å; S59-V64 WeakPolarHBondContact CB-O 3.48Å; S59-V64 PolarHBondContact O-N 3.29Å; S59-V64 VanDerWaalsContact O-O 3.11Å
60L96.4Very high94.4Very high146 Ų14667.6 Ų67.676%0.76437%0.367SS*.Hα-helixtrans-61.5-44177.418063.4000112D56 I57 V58 H62 G63D56-L60 WeakPolarHBondContact O-CB 3.29Å; D56-L60 PolarHBondContact O-N 3.49Å; I57-L60 PolarHBondContact O-N 3.43Å; V58-L60 VanDerWaalsContact C-N 3.35Å; V58-L60 PolarHBondContact O-N 3.46Å; L60-H62 VanDerWaalsContact C-N 3.32Å; L60-H62 PolarHBondContact O-N 3.33Å; L60-G63 PolarHBondContact O-N 3.21Å
61E96.4Very high94.9Very high102 Ų10261.7 Ų61.748%0.47734%0.342SS..Hα-helixtrans-66.1-32.1-178.9-72.7178.4157.300113.8R45 I57 V58 S59R45-E61 IonicContact CZ-OE1 2.67Å; R45-E61 VanDerWaalsContact CZ-OE1 3.25Å; R45-E61 IonicContact CZ-OE2 2.65Å; R45-E61 VanDerWaalsContact NH1-CD 3.3Å; R45-E61 IonicContact NH1-OE1 2.67Å; R45-E61 PolarHBondContact NH1-OE1 3.41Å; R45-E61 VanDerWaalsContact NH1-OE1 3.07Å; R45-E61 IonicContact NH1-OE2 3.27Å; R45-E61 PolarHBondContact NH1-OE2 3.05Å; R45-E61 IonicContact NH2-OE1 2.67Å; R45-E61 PolarHBondContact NH2-OE1 3.01Å; R45-E61 IonicContact NH2-OE2 2.71Å; I57-E61 WeakPolarHBondContact O-CG 3.43Å; I57-E61 PolarHBondContact O-N 3.06Å; I57-E61 VanDerWaalsContact O-N 3.09Å; V58-E61 PolarHBondContact O-N 2.98Å; S59-E61 PolarHBondContact O-N 3.05Å
62H95.9Very high95.1Very high83 Ų8362.7 Ų62.738%0.38435%0.345SS..Hα-helixtrans-97.40.2-178.7-65.979.5000113.1I35 V58 S59 L60 V64I35-H62 HydrophobicContact CD1-CB 3.97Å; I35-H62 HydrophobicContact CG1-CB 4.27Å; I35-H62 WeakPolarHBondContact CG2-NE2 3.4Å; V58-H62 PolarHBondContact O-N 3.23Å; V58-H62 VanDerWaalsContact O-N 3.1Å; V58-H62 PolarHBondContact O-ND1 2.81Å; S59-H62 PolarHBondContact O-N 3.4Å; L60-H62 VanDerWaalsContact C-N 3.32Å; L60-H62 PolarHBondContact O-N 3.33Å; H62-V64 VanDerWaalsContact C-N 3.32Å; H62-V64 HydrophobicContact CB-CG2 4.16Å; H62-V64 PolarHBondContact O-N 2.82Å
63G94.2Very high95.2Very high72 Ų7264.9 Ų64.974%0.74236%0.359SS*.THydrogen-bonded Turntrans66.532.5178.900000113.6S59 L60S59-G63 PolarHBondContact O-N 2.92Å; L60-G63 PolarHBondContact O-N 3.21Å
64V93.4Very high95.4Very high59 Ų5961.9 Ų61.936%0.35835%0.347SS..  trans-120.7168.5-179.6-62.40000111.1I35 S59 H62 L66I35-V64 HydrophobicContact CD1-CG2 3.89Å; S59-V64 CarbonylContact C-O 3.48Å; S59-V64 WeakPolarHBondContact CB-O 3.48Å; S59-V64 PolarHBondContact O-N 3.29Å; S59-V64 VanDerWaalsContact O-O 3.11Å; H62-V64 VanDerWaalsContact C-N 3.32Å; H62-V64 HydrophobicContact CB-CG2 4.16Å; H62-V64 PolarHBondContact O-N 2.82Å; V64-L66 HydrophobicContact CB-CD1 4.02Å; V64-L66 HydrophobicContact CG2-CD1 3.23Å
65T92.2Very high95.4Very high141 Ų14162.8 Ų62.887%0.86535%0.351SS*.  trans-12794.3173-56.10000108.6
66L92.9Very high95.3Very high18 Ų1866.2 Ų66.29%0.09436%0.364CS..  trans-75.2138.6176.1-83.966.5000110.4F30 F33 I35 I55 V64 K68 A71F30-L66 HydrophobicContact CD1-CD2 3.84Å; F30-L66 HydrophobicContact CE1-CD2 3.8Å; F33-L66 HydrophobicContact CB-CD1 4.44Å; F33-L66 HydrophobicContact CB-CD2 3.88Å; F33-L66 HydrophobicContact CB-CG 4.14Å; F33-L66 HydrophobicContact CD1-CD2 4.29Å; F33-L66 HydrophobicContact CD1-CG 4.12Å; F33-L66 HydrophobicContact CD2-CD2 3.58Å; F33-L66 HydrophobicContact CD2-CG 4.3Å; F33-L66 HydrophobicContact CE2-CD2 4.24Å; F33-L66 HydrophobicContact CG-CD2 3.64Å; F33-L66 HydrophobicContact CG-CG 3.91Å; I35-L66 HydrophobicContact CD1-CD1 4.17Å; I55-L66 HydrophobicContact CG2-CB 4.01Å; V64-L66 HydrophobicContact CB-CD1 4.02Å; V64-L66 HydrophobicContact CG2-CD1 3.23Å; L66-K68 PolarHBondContact O-N 2.9Å; L66-K68 VanDerWaalsContact O-N 3.14Å; L66-A71 HydrophobicContact CD2-CB 4.4Å
67A93.9Very high95.3Very high48 Ų4865.1 Ų65.140%0.39737%0.366SS..  trans-70.2107.4167.900000109.1T69 E70 A71A67-T69 PolarHBondContact O-N 2.76Å; A67-T69 VanDerWaalsContact O-N 3.13Å; A67-E70 HydrophobicContact CB-CB 4.01Å; A67-E70 WeakPolarHBondContact O-CB 3.37Å; A67-E70 PolarHBondContact O-N 3.48Å; A67-A71 PolarHBondContact O-N 3.31Å
68K95.1Very high95.3Very high67 Ų6764.2 Ų64.229%0.29136%0.361SS..Hα-helixtrans-53.2-39.2-173.8-62.7-172.1-179.3-170.30113.8Y52 I55 D56 L66 E72Y52-K68 HydrophobicContact CD1-CB 4.08Å; Y52-K68 HydrophobicContact CD1-CD 4.3Å; Y52-K68 HydrophobicContact CD2-CD 3.86Å; Y52-K68 HydrophobicContact CE1-CB 3.77Å; Y52-K68 HydrophobicContact CE2-CB 4.34Å; Y52-K68 HydrophobicContact CE2-CD 4.24Å; Y52-K68 HydrophobicContact CG-CB 4.46Å; Y52-K68 HydrophobicContact CG-CD 3.88Å; I55-K68 HydrophobicContact CD1-CB 4.5Å; I55-K68 HydrophobicContact CG2-CG 4.07Å; D56-K68 WeakPolarHBondContact OD1-CE 3.32Å; D56-K68 IonicContact OD1-NZ 2.73Å; D56-K68 PolarHBondContact OD1-NZ 2.82Å; D56-K68 IonicContact OD2-NZ 2.67Å; D56-K68 PolarHBondContact OD2-NZ 3.03Å; L66-K68 PolarHBondContact O-N 2.9Å; L66-K68 VanDerWaalsContact O-N 3.14Å; K68-E72 WeakPolarHBondContact O-CB 3.21Å; K68-E72 PolarHBondContact O-N 3.14Å
69T94.8Very high95.3Very high98 Ų9864.6 Ų64.660%0.60136%0.363SS*.Hα-helixtrans-68.7-33.8179.851.30000112.8A67 H73A67-T69 PolarHBondContact O-N 2.76Å; A67-T69 VanDerWaalsContact O-N 3.13Å; T69-H73 PolarHBondContact O-N 3.39Å; T69-H73 VanDerWaalsContact O-N 3.11Å
70E95.7Very high95.3Very high114 Ų11465.7 Ų65.753%0.53337%0.372SS..Hα-helixtrans-74.2-47.4177.2-170.7179.9-176.900110.3F33 A67 E72 H73 V74F33-E70 HydrophobicContact CE1-CG 4.25Å; F33-E70 HydrophobicContact CZ-CB 4.41Å; F33-E70 HydrophobicContact CZ-CG 4.02Å; A67-E70 HydrophobicContact CB-CB 4.01Å; A67-E70 WeakPolarHBondContact O-CB 3.37Å; A67-E70 PolarHBondContact O-N 3.48Å; E70-E72 VanDerWaalsContact C-N 3.31Å; E70-E72 PolarHBondContact O-N 3Å; E70-H73 WeakPolarHBondContact O-CB 3.22Å; E70-H73 PolarHBondContact O-N 2.97Å; E70-H73 VanDerWaalsContact O-N 3.1Å; E70-V74 PolarHBondContact O-N 3.36Å; E70-V74 VanDerWaalsContact O-N 3.08Å
71A96.2Very high95.3Very high0 Ų064.7 Ų64.70%036%0.358CS..Hα-helixtrans-58.7-43.3174.600000111.6M29 F33 I55 L66 A67 H73 V74 Y75M29-A71 HydrophobicContact CG-CB 4.23Å; M29-A71 WeakPolarHBondContact CG-O 3.48Å; M29-A71 HydrophobicContact SD-CB 3.74Å; F33-A71 HydrophobicContact CE2-CB 3.79Å; F33-A71 HydrophobicContact CZ-CB 4.06Å; I55-A71 HydrophobicContact CD1-CB 3.74Å; I55-A71 HydrophobicContact CG1-CB 4.22Å; L66-A71 HydrophobicContact CD2-CB 4.4Å; A67-A71 PolarHBondContact O-N 3.31Å; A71-H73 VanDerWaalsContact C-N 3.34Å; A71-H73 PolarHBondContact O-N 3.02Å; A71-V74 PolarHBondContact O-N 2.84Å; A71-Y75 WeakPolarHBondContact O-CB 3.37Å; A71-Y75 PolarHBondContact O-N 2.82Å
72E95Very high95.3Very high41 Ų4159.8 Ų59.819%0.19234%0.336CS..Hα-helixtrans-60.1-40.9173.9175.1-179.8-158.500113L51 Y52 K68 E70 Y75 R76L51-E72 HydrophobicContact CD2-CB 3.85Å; L51-E72 HydrophobicContact CD2-CG 3.76Å; Y52-E72 HydrophobicContact CE1-CB 4.1Å; Y52-E72 PolarHBondContact OH-OE2 3.38Å; K68-E72 WeakPolarHBondContact O-CB 3.21Å; K68-E72 PolarHBondContact O-N 3.14Å; E70-E72 VanDerWaalsContact C-N 3.31Å; E70-E72 PolarHBondContact O-N 3Å; E72-Y75 PolarHBondContact O-N 3.13Å; E72-R76 HydrophobicContact CG-CG 4.2Å; E72-R76 VanDerWaalsContact CG-NE 3.26Å; E72-R76 WeakPolarHBondContact O-CB 3.49Å; E72-R76 VanDerWaalsContact O-CG 3.24Å; E72-R76 WeakPolarHBondContact O-CG 3.23Å; E72-R76 PolarHBondContact O-N 2.82Å; E72-R76 IonicContact OE1-CZ 3.7Å; E72-R76 IonicContact OE1-NE 2.64Å; E72-R76 PolarHBondContact OE1-NE 2.83Å; E72-R76 IonicContact OE1-NH2 3.37Å; E72-R76 PolarHBondContact OE1-NH2 3.15Å
73H95.4Very high95.4Very high137 Ų13755.9 Ų55.963%0.63432%0.318SS*.Hα-helixtrans-60.8-48.3177.2-178.575.4000111.4T69 E70 A71 R76 A77T69-H73 PolarHBondContact O-N 3.39Å; T69-H73 VanDerWaalsContact O-N 3.11Å; E70-H73 WeakPolarHBondContact O-CB 3.22Å; E70-H73 PolarHBondContact O-N 2.97Å; E70-H73 VanDerWaalsContact O-N 3.1Å; A71-H73 VanDerWaalsContact C-N 3.34Å; A71-H73 PolarHBondContact O-N 3.02Å; H73-R76 PolarHBondContact O-N 2.98Å; H73-A77 WeakPolarHBondContact O-CB 3.23Å; H73-A77 PolarHBondContact O-N 3.14Å
74V96.8Very high95.5Very high39 Ų3956.7 Ų56.724%0.23631%0.305CS..Hα-helixtrans-60.2-48.7177.2176.70000110.7M29 E32 F33 E70 A71 R76 A77 E78M29-V74 HydrophobicContact CB-CG1 4.18Å; M29-V74 HydrophobicContact CG-CB 4.25Å; M29-V74 HydrophobicContact CG-CG1 4.26Å; E32-V74 HydrophobicContact CB-CG1 4.46Å; E32-V74 HydrophobicContact CG-CG1 4.04Å; F33-V74 HydrophobicContact CZ-CG2 4.5Å; E70-V74 PolarHBondContact O-N 3.36Å; E70-V74 VanDerWaalsContact O-N 3.08Å; A71-V74 PolarHBondContact O-N 2.84Å; V74-R76 PolarHBondContact O-N 3.05Å; V74-A77 PolarHBondContact O-N 3.38Å; V74-E78 PolarHBondContact O-N 2.81Å
75Y96.3Very high95.7Very high18 Ų1857.5 Ų57.57%0.07131%0.313CS..Hα-helixtrans-56.8-49.7177.9171.2-103.8000112.4C22 A25 Y26 L51 A71 E72 A77 E78 V79C22-Y75 WeakPolarHBondContact CB-OH 3.33Å; C22-Y75 WeakPolarHBondContact O-CE2 3.25Å; A25-Y75 HydrophobicContact CB-CD2 3.72Å; A25-Y75 HydrophobicContact CB-CE2 3.68Å; Y26-Y75 AromaticContact CD1-CD2 3.51Å; Y26-Y75 HydrophobicContact CD1-CD2 3.51Å; Y26-Y75 AromaticContact CD1-CE2 3.33Å; Y26-Y75 HydrophobicContact CD1-CE2 3.33Å; Y26-Y75 HydrophobicContact CD1-CG 4.45Å; Y26-Y75 AromaticContact CE1-CD2 3.66Å; Y26-Y75 HydrophobicContact CE1-CD2 3.66Å; Y26-Y75 HydrophobicContact CE1-CE1 4.28Å; Y26-Y75 AromaticContact CE1-CE2 3.15Å; Y26-Y75 HydrophobicContact CE1-CE2 3.15Å; Y26-Y75 HydrophobicContact CE1-CG 4.4Å; Y26-Y75 AromaticContact CE1-CZ 3.51Å; Y26-Y75 HydrophobicContact CE2-CE2 4.48Å; Y26-Y75 HydrophobicContact CG-CD2 4.41Å; Y26-Y75 HydrophobicContact CG-CE2 4.07Å; Y26-Y75 AromaticContact CZ-CE2 3.77Å; Y26-Y75 AromaticContact CZ-CZ 3.87Å; Y26-Y75 PolarHBondContact OH-OH 2.88Å; L51-Y75 HydrophobicContact CD1-CD1 4.04Å; L51-Y75 HydrophobicContact CD1-CD2 4.41Å; L51-Y75 HydrophobicContact CD1-CE1 4.49Å; L51-Y75 HydrophobicContact CD1-CG 3.99Å; L51-Y75 HydrophobicContact CD2-CD1 3.68Å; L51-Y75 HydrophobicContact CD2-CE1 4.2Å; L51-Y75 HydrophobicContact CD2-CG 4.32Å; L51-Y75 HydrophobicContact CG-CD1 4.45Å; A71-Y75 WeakPolarHBondContact O-CB 3.37Å; A71-Y75 PolarHBondContact O-N 2.82Å; E72-Y75 PolarHBondContact O-N 3.13Å; Y75-A77 VanDerWaalsContact C-N 3.34Å; Y75-A77 PolarHBondContact O-N 2.85Å; Y75-E78 PolarHBondContact O-N 3.05Å; Y75-V79 HydrophobicContact CD1-CG2 4.39Å; Y75-V79 HydrophobicContact CD2-CG2 4.18Å; Y75-V79 HydrophobicContact CE1-CG2 3.94Å; Y75-V79 HydrophobicContact CE2-CG2 3.7Å; Y75-V79 HydrophobicContact CG-CG2 4.49Å; Y75-V79 WeakPolarHBondContact O-CG2 3.46Å; Y75-V79 PolarHBondContact O-N 3.13Å
76R94.7Very high95.9Very high73 Ų7354.8 Ų54.828%0.27529%0.29SS..Hα-helixtrans-66.1-37.5-177.3-71.5-178-175.2-63.3-1.1112E72 H73 V74 A80E72-R76 HydrophobicContact CG-CG 4.2Å; E72-R76 VanDerWaalsContact CG-NE 3.26Å; E72-R76 WeakPolarHBondContact O-CB 3.49Å; E72-R76 VanDerWaalsContact O-CG 3.24Å; E72-R76 WeakPolarHBondContact O-CG 3.23Å; E72-R76 PolarHBondContact O-N 2.82Å; E72-R76 IonicContact OE1-CZ 3.7Å; E72-R76 IonicContact OE1-NE 2.64Å; E72-R76 PolarHBondContact OE1-NE 2.83Å; E72-R76 IonicContact OE1-NH2 3.37Å; E72-R76 PolarHBondContact OE1-NH2 3.15Å; H73-R76 PolarHBondContact O-N 2.98Å; V74-R76 PolarHBondContact O-N 3.05Å; R76-A80 WeakPolarHBondContact O-CB 3.48Å; R76-A80 PolarHBondContact O-N 2.79Å
77A95.9Very high96.1Very high56 Ų5654.6 Ų54.646%0.46329%0.289SS..Hα-helixtrans-63.8-43.3175.100000111.4H73 V74 Y75 A80 R81H73-A77 WeakPolarHBondContact O-CB 3.23Å; H73-A77 PolarHBondContact O-N 3.14Å; V74-A77 PolarHBondContact O-N 3.38Å; Y75-A77 VanDerWaalsContact C-N 3.34Å; Y75-A77 PolarHBondContact O-N 2.85Å; A77-A80 PolarHBondContact O-N 2.9Å; A77-R81 WeakPolarHBondContact O-CB 3.36Å; A77-R81 PolarHBondContact O-N 3.24Å
78E97.2Very high96.3Very high28 Ų2858.8 Ų58.813%0.13130%0.301CS..Hα-helixtrans-68.8-41.1179-177.560.5-174.100112.4A25 T28 V74 Y75 A80 R81 L82A25-E78 HydrophobicContact CB-CB 4.19Å; A25-E78 HydrophobicContact CB-CG 3.93Å; T28-E78 HydrophobicContact CG2-CG 3.99Å; V74-E78 PolarHBondContact O-N 2.81Å; Y75-E78 PolarHBondContact O-N 3.05Å; E78-A80 VanDerWaalsContact C-N 3.33Å; E78-A80 PolarHBondContact O-N 2.64Å; E78-R81 PolarHBondContact O-N 3.02Å; E78-R81 IonicContact OE1-CZ 3.87Å; E78-R81 IonicContact OE1-NE 3.07Å; E78-R81 IonicContact OE1-NH2 2.9Å; E78-R81 PolarHBondContact OE1-NH2 2.81Å; E78-R81 IonicContact OE2-CZ 2.76Å; E78-R81 IonicContact OE2-NE 3.76Å; E78-R81 PolarHBondContact OE2-NE 2.94Å; E78-R81 IonicContact OE2-NH2 3.09Å; E78-R81 PolarHBondContact OE2-NH2 3.25Å; E78-L82 HydrophobicContact CG-CD1 3.96Å; E78-L82 HydrophobicContact CG-CG 4.4Å; E78-L82 WeakPolarHBondContact O-CB 3.34Å; E78-L82 WeakPolarHBondContact O-CG 3.41Å; E78-L82 PolarHBondContact O-N 2.92Å
79V96.4Very high96.5Very high8 Ų857.5 Ų57.55%0.04830%0.303CS..Hα-helixtrans-57-47.4172.2169.70000110.8A25 Y75 R81 L82 F83A25-V79 HydrophobicContact CB-CG2 3.5Å; Y75-V79 HydrophobicContact CD1-CG2 4.39Å; Y75-V79 HydrophobicContact CD2-CG2 4.18Å; Y75-V79 HydrophobicContact CE1-CG2 3.94Å; Y75-V79 HydrophobicContact CE2-CG2 3.7Å; Y75-V79 HydrophobicContact CG-CG2 4.49Å; Y75-V79 WeakPolarHBondContact O-CG2 3.46Å; Y75-V79 PolarHBondContact O-N 3.13Å; V79-R81 PolarHBondContact O-N 3.09Å; V79-L82 PolarHBondContact O-N 2.67Å; V79-F83 HydrophobicContact CG1-CD1 4.03Å; V79-F83 HydrophobicContact CG1-CD2 4.13Å; V79-F83 HydrophobicContact CG1-CE1 3.71Å; V79-F83 HydrophobicContact CG1-CE2 3.82Å; V79-F83 HydrophobicContact CG1-CG 4.24Å; V79-F83 HydrophobicContact CG1-CZ 3.6Å; V79-F83 WeakPolarHBondContact O-CB 3.42Å; V79-F83 WeakPolarHBondContact O-CD1 3.31Å; V79-F83 VanDerWaalsContact O-CG 3.28Å; V79-F83 WeakPolarHBondContact O-CG 3.46Å; V79-F83 PolarHBondContact O-N 2.65Å
80A95.7Very high96.6Very high32 Ų3253.9 Ų53.926%0.26428%0.28SS..Hα-helixtrans-61.2-44.417900000111.8R76 A77 E78 L82 F83 D84 H117R76-A80 WeakPolarHBondContact O-CB 3.48Å; R76-A80 PolarHBondContact O-N 2.79Å; A77-A80 PolarHBondContact O-N 2.9Å; E78-A80 VanDerWaalsContact C-N 3.33Å; E78-A80 PolarHBondContact O-N 2.64Å; A80-L82 PolarHBondContact O-N 2.88Å; A80-F83 PolarHBondContact O-N 2.72Å; A80-D84 PolarHBondContact O-N 3.28Å; A80-H117 PolarHBondContact O-CE1 3.2Å; A80-H117 VanDerWaalsContact O-CE1 3.3Å
81R97.5Very high96.7Very high124 Ų12456.1 Ų56.147%0.46829%0.29SS..Hα-helixtrans-61.3-44.8177.9-168.6-166.369.170.9-2.5112.3A77 E78 V79 F83 D84 S85A77-R81 WeakPolarHBondContact O-CB 3.36Å; A77-R81 PolarHBondContact O-N 3.24Å; E78-R81 PolarHBondContact O-N 3.02Å; E78-R81 IonicContact OE1-CZ 3.87Å; E78-R81 IonicContact OE1-NE 3.07Å; E78-R81 IonicContact OE1-NH2 2.9Å; E78-R81 PolarHBondContact OE1-NH2 2.81Å; E78-R81 IonicContact OE2-CZ 2.76Å; E78-R81 IonicContact OE2-NE 3.76Å; E78-R81 PolarHBondContact OE2-NE 2.94Å; E78-R81 IonicContact OE2-NH2 3.09Å; E78-R81 PolarHBondContact OE2-NH2 3.25Å; V79-R81 PolarHBondContact O-N 3.09Å; R81-F83 VanDerWaalsContact C-N 3.35Å; R81-D84 PolarHBondContact O-N 2.91Å; R81-S85 PolarHBondContact O-N 3.38Å; R81-S85 PolarHBondContact O-OG 2.83Å
82L97.2Very high96.8Very high0 Ų057.6 Ų57.60%031%0.305CS..Hα-helixtrans-68.7-35.6177.2-69.7172.6000111.2I21 R24 A25 E78 V79 A80 D84 S85 E86I21-L82 HydrophobicContact CG2-CB 3.4Å; I21-L82 HydrophobicContact CG2-CD1 3.85Å; I21-L82 HydrophobicContact CG2-CG 4.26Å; R24-L82 HydrophobicContact CB-CD1 4.35Å; A25-L82 HydrophobicContact CB-CD1 4.41Å; E78-L82 HydrophobicContact CG-CD1 3.96Å; E78-L82 HydrophobicContact CG-CG 4.4Å; E78-L82 WeakPolarHBondContact O-CB 3.34Å; E78-L82 WeakPolarHBondContact O-CG 3.41Å; E78-L82 PolarHBondContact O-N 2.92Å; V79-L82 PolarHBondContact O-N 2.67Å; A80-L82 PolarHBondContact O-N 2.88Å; L82-D84 VanDerWaalsContact C-N 3.32Å; L82-D84 PolarHBondContact O-N 3.17Å; L82-S85 PolarHBondContact O-N 2.87Å; L82-S85 PolarHBondContact O-OG 2.91Å; L82-E86 WeakPolarHBondContact CD2-OE1 3.39Å; L82-E86 WeakPolarHBondContact O-CB 3.21Å; L82-E86 PolarHBondContact O-N 3.49Å
83F97.5Very high96.9Very high1 Ų155.7 Ų55.70%0.00430%0.297CS..Hα-helixtrans-62.3-40.8175.5-79.99000112.4I21 V79 A80 R81 S85 L87 K114I21-F83 HydrophobicContact CB-CD1 4.46Å; I21-F83 HydrophobicContact CB-CE1 4.2Å; I21-F83 HydrophobicContact CD1-CD1 4.15Å; I21-F83 HydrophobicContact CD1-CE1 4.43Å; I21-F83 HydrophobicContact CG2-CD1 3.68Å; I21-F83 HydrophobicContact CG2-CE1 3.65Å; V79-F83 HydrophobicContact CG1-CD1 4.03Å; V79-F83 HydrophobicContact CG1-CD2 4.13Å; V79-F83 HydrophobicContact CG1-CE1 3.71Å; V79-F83 HydrophobicContact CG1-CE2 3.82Å; V79-F83 HydrophobicContact CG1-CG 4.24Å; V79-F83 HydrophobicContact CG1-CZ 3.6Å; V79-F83 WeakPolarHBondContact O-CB 3.42Å; V79-F83 WeakPolarHBondContact O-CD1 3.31Å; V79-F83 VanDerWaalsContact O-CG 3.28Å; V79-F83 WeakPolarHBondContact O-CG 3.46Å; V79-F83 PolarHBondContact O-N 2.65Å; A80-F83 PolarHBondContact O-N 2.72Å; R81-F83 VanDerWaalsContact C-N 3.35Å; F83-S85 PolarHBondContact O-N 3.25Å; F83-L87 HydrophobicContact CB-CB 4.4Å; F83-L87 HydrophobicContact CB-CD2 4.29Å; F83-L87 HydrophobicContact CD1-CD1 3.71Å; F83-L87 HydrophobicContact CD1-CD2 4.37Å; F83-L87 HydrophobicContact CD1-CG 4.44Å; F83-L87 HydrophobicContact CD2-CD2 4.21Å; F83-L87 HydrophobicContact CE1-CD1 3.76Å; F83-L87 HydrophobicContact CG-CD1 4.25Å; F83-L87 HydrophobicContact CG-CD2 4.06Å; F83-L87 HydrophobicContact CZ-CD1 4.32Å; F83-L87 WeakPolarHBondContact O-CB 3.48Å; F83-L87 PolarHBondContact O-N 2.71Å; F83-K114 HydrophobicContact CE2-CG 3.82Å; F83-K114 HydrophobicContact CZ-CG 4.36Å
84D96.7Very high97.1Very high89 Ų8950.8 Ų50.848%0.47628%0.283SS..Hα-helixtrans-65.1-26.9179.1-76-28.3000113.5A80 R81 L82 H117 K121A80-D84 PolarHBondContact O-N 3.28Å; R81-D84 PolarHBondContact O-N 2.91Å; L82-D84 VanDerWaalsContact C-N 3.32Å; L82-D84 PolarHBondContact O-N 3.17Å; D84-H117 IonicContact OD1-CD2 3.49Å; D84-H117 IonicContact OD1-CE1 3.56Å; D84-H117 IonicContact OD1-NE2 3.5Å; D84-H117 PolarHBondContact OD1-NE2 2.97Å; D84-H117 IonicContact OD2-NE2 3.58Å; D84-K121 WeakPolarHBondContact O-CE 3.29Å; D84-K121 PolarHBondContact O-NZ 3.37Å
85S96.3Very high97.1Very high76 Ų7652.5 Ų52.553%0.53130%0.301SS..Hα-helixtrans-106.9-30.9-171.346.20000114.5R81 L82 F83R81-S85 PolarHBondContact O-N 3.38Å; R81-S85 PolarHBondContact O-OG 2.83Å; L82-S85 PolarHBondContact O-N 2.87Å; L82-S85 PolarHBondContact O-OG 2.91Å; F83-S85 PolarHBondContact O-N 3.25Å
86E97.2Very high97.2Very high83 Ų8352 Ų5239%0.38830%0.3SS..Hα-helixtrans-134.3-5-164.1-57.1-175.9-134.400114.2I21 R24 L82 E88I21-E86 HydrophobicContact CD1-CB 4.23Å; R24-E86 IonicContact CZ-OE1 3.54Å; R24-E86 IonicContact CZ-OE2 3.11Å; R24-E86 IonicContact NH1-OE1 2.79Å; R24-E86 IonicContact NH1-OE2 3.94Å; R24-E86 PolarHBondContact NH1-OE2 2.67Å; R24-E86 IonicContact NH2-OE1 2.67Å; R24-E86 PolarHBondContact NH2-OE1 3.46Å; R24-E86 IonicContact NH2-OE2 2.65Å; R24-E86 PolarHBondContact NH2-OE2 2.96Å; L82-E86 WeakPolarHBondContact CD2-OE1 3.39Å; L82-E86 WeakPolarHBondContact O-CB 3.21Å; L82-E86 PolarHBondContact O-N 3.49Å; E86-E88 PolarHBondContact O-N 3.38Å
87L97.7Very high97.4Very high14 Ų1448.6 Ų48.67%0.07329%0.287CS..  trans-67.5133.3-176.1-165.565.1000112.5V16 I21 F83 S118 K121 L122V16-L87 HydrophobicContact CG1-CD1 3.48Å; V16-L87 VanDerWaalsContact CG1-CD1 3.48Å; V16-L87 HydrophobicContact CG1-CD2 3.84Å; V16-L87 HydrophobicContact CG1-CG 3.86Å; I21-L87 HydrophobicContact CD1-CB 4.41Å; I21-L87 HydrophobicContact CD1-CD1 3.88Å; F83-L87 HydrophobicContact CB-CB 4.4Å; F83-L87 HydrophobicContact CB-CD2 4.29Å; F83-L87 HydrophobicContact CD1-CD1 3.71Å; F83-L87 HydrophobicContact CD1-CD2 4.37Å; F83-L87 HydrophobicContact CD1-CG 4.44Å; F83-L87 HydrophobicContact CD2-CD2 4.21Å; F83-L87 HydrophobicContact CE1-CD1 3.76Å; F83-L87 HydrophobicContact CG-CD1 4.25Å; F83-L87 HydrophobicContact CG-CD2 4.06Å; F83-L87 HydrophobicContact CZ-CD1 4.32Å; F83-L87 WeakPolarHBondContact O-CB 3.48Å; F83-L87 PolarHBondContact O-N 2.71Å; L87-S118 VanDerWaalsContact CD2-CA 3.5Å; L87-K121 HydrophobicContact CD2-CB 4.48Å; L87-L122 HydrophobicContact CD2-CD1 4.05Å; L87-L122 HydrophobicContact CD2-CG 4.13Å; L87-L122 HydrophobicContact CG-CD1 4.18Å; L87-L122 HydrophobicContact CG-CD2 4.44Å; L87-L122 HydrophobicContact CG-CG 4.38Å
88E97.9Very high97.5Very high136 Ų13649.9 Ų49.964%0.63629%0.292SS*.EExtended strand (participates in β ladder)trans-122.7156.4173.7-62.3-171.5165.500111.3D17 E86D17-E88 PolarHBondContact N-O 2.96Å; E86-E88 PolarHBondContact O-N 3.38Å
89A98.1Very high97.5Very high41 Ų4150.3 Ų50.334%0.33930%0.301SS..EExtended strand (participates in β ladder)trans-81.3148.3169.400000109.4E91 L122 M124A89-E91 PolarHBondContact O-N 3.42Å; A89-L122 HydrophobicContact CB-CD1 4.03Å; A89-L122 HydrophobicContact CB-CD2 4.34Å; A89-M124 HydrophobicContact CB-SD 4.18Å
90I97.8Very high97.6Very high22 Ų2250.7 Ų50.711%0.11330%0.302CS..PPolyproline II helixtrans-58.7138169.8-65.2-69000109.1T14 L15 D17 G92 A93 F185 L205T14-I90 WeakPolarHBondContact O-CG1 3.29Å; L15-I90 PolarHBondContact O-N 3.14Å; D17-I90 HydrophobicContact CB-CD1 3.78Å; D17-I90 HydrophobicContact CB-CG1 4.5Å; I90-G92 PolarHBondContact O-N 2.97Å; I90-A93 WeakPolarHBondContact O-CB 3.46Å; I90-A93 PolarHBondContact O-N 3.38Å; I90-F185 HydrophobicContact CD1-CE1 4.48Å; I90-F185 HydrophobicContact CG2-CE1 3.67Å; I90-F185 HydrophobicContact CG2-CZ 3.67Å; I90-L205 HydrophobicContact CB-CD1 4.16Å; I90-L205 HydrophobicContact CG2-CD1 3.65Å; I90-L205 HydrophobicContact CG2-CG 4.15Å
91E97.7Very high97.6Very high161 Ų16153.3 Ų53.375%0.75232%0.315SS*.THydrogen-bonded Turntrans-52.9125.3-176.8-170.1-174.4175.600111.4A89 A93A89-E91 PolarHBondContact O-N 3.42Å; E91-A93 VanDerWaalsContact C-N 3.33Å; E91-A93 PolarHBondContact O-N 2.91Å
92G97.8Very high97.6Very high31 Ų3148 Ų4832%0.3230%0.298SS..THydrogen-bonded Turntrans84.2-5.5-179.800000115.5I90 G94 A95 L96I90-G92 PolarHBondContact O-N 2.97Å; G92-G94 PolarHBondContact O-N 3.27Å; G92-A95 PolarHBondContact O-N 3.3Å; G92-L96 WeakPolarHBondContact O-CB 3.35Å; G92-L96 PolarHBondContact O-N 3.37Å
93A98.3Very high97.6Very high1 Ų151.4 Ų51.41%0.00832%0.32CS..Hα-helixtrans-56.8-51.3-17800000112.6L15 I90 E91 A95 L96 L97 M124 L205L15-A93 HydrophobicContact CD2-CB 4.14Å; I90-A93 WeakPolarHBondContact O-CB 3.46Å; I90-A93 PolarHBondContact O-N 3.38Å; E91-A93 VanDerWaalsContact C-N 3.33Å; E91-A93 PolarHBondContact O-N 2.91Å; A93-A95 PolarHBondContact O-N 3.06Å; A93-L96 PolarHBondContact O-N 3.14Å; A93-L97 VanDerWaalsContact O-CG 3.31Å; A93-L97 WeakPolarHBondContact O-CG 3.32Å; A93-L97 PolarHBondContact O-N 3.3Å; A93-M124 HydrophobicContact CB-CE 3.9Å; A93-L205 HydrophobicContact CB-CD1 3.68Å
94G97.6Very high97.7Very high33 Ų3352.4 Ų52.434%0.3433%0.325SS..Hα-helixtrans-61.4-41.8179.700000113.4G92 S98G92-G94 PolarHBondContact O-N 3.27Å; G94-S98 WeakPolarHBondContact O-CB 3.38Å; G94-S98 PolarHBondContact O-N 3Å
95A98Very high97.7Very high76 Ų7648.1 Ų48.163%0.62830%0.302SS*.Hα-helixtrans-65.8-41.917800000111.8G92 A93 A99G92-A95 PolarHBondContact O-N 3.3Å; A93-A95 PolarHBondContact O-N 3.06Å; A95-A99 PolarHBondContact O-N 3.43Å
96L98.6Very high97.9Very high7 Ų744.5 Ų44.54%0.03728%0.277CS..Hα-helixtrans-62.4-53.3175.8174.965.4000111.3F9 G92 A93 S98 A99 I100 L205 L208 P209 W212F9-L96 HydrophobicContact CE1-CD2 3.99Å; F9-L96 HydrophobicContact CZ-CD2 4.13Å; G92-L96 WeakPolarHBondContact O-CB 3.35Å; G92-L96 PolarHBondContact O-N 3.37Å; A93-L96 PolarHBondContact O-N 3.14Å; L96-S98 PolarHBondContact O-N 3.26Å; L96-A99 PolarHBondContact O-N 3.05Å; L96-I100 HydrophobicContact CD1-CD1 4.19Å; L96-I100 HydrophobicContact CD1-CG1 4.41Å; L96-I100 HydrophobicContact CG-CD1 4.05Å; L96-I100 WeakPolarHBondContact O-CG1 3.36Å; L96-I100 PolarHBondContact O-N 3.07Å; L96-L205 HydrophobicContact CD2-CB 4.01Å; L96-L205 HydrophobicContact CD2-CD2 4.12Å; L96-L205 HydrophobicContact CD2-CG 4.49Å; L96-L208 HydrophobicContact CD1-CB 4.22Å; L96-L208 HydrophobicContact CD2-CD1 3.55Å; L96-P209 HydrophobicContact CD1-CG 4.06Å; L96-W212 HydrophobicContact CD1-CH2 3.96Å; L96-W212 HydrophobicContact CD1-CZ3 3.93Å
97L98.5Very high97.9Very high2 Ų240.6 Ų40.61%0.0126%0.259CS..Hα-helixtrans-59.5-37.6-178.7-67.3-178.2000111.7F9 L15 A93 A99 M104 M124 Y127 F128F9-L97 HydrophobicContact CD2-CD2 4.11Å; F9-L97 HydrophobicContact CE2-CD2 3.72Å; F9-L97 HydrophobicContact CZ-CD2 4.01Å; L15-L97 HydrophobicContact CD1-CD1 4.47Å; L15-L97 HydrophobicContact CD2-CD1 4.29Å; L15-L97 HydrophobicContact CD2-CD2 4.27Å; L15-L97 HydrophobicContact CD2-CG 4.4Å; A93-L97 VanDerWaalsContact O-CG 3.31Å; A93-L97 WeakPolarHBondContact O-CG 3.32Å; A93-L97 PolarHBondContact O-N 3.3Å; L97-A99 VanDerWaalsContact C-N 3.27Å; L97-A99 PolarHBondContact O-N 3.26Å; L97-M104 HydrophobicContact CD2-CE 4.41Å; L97-M104 HydrophobicContact CD2-SD 3.73Å; L97-M124 HydrophobicContact CD1-CE 3.36Å; L97-Y127 HydrophobicContact CB-CD1 4Å; L97-Y127 HydrophobicContact CB-CD2 3.91Å; L97-Y127 HydrophobicContact CB-CE1 4.16Å; L97-Y127 HydrophobicContact CB-CE2 4.06Å; L97-Y127 HydrophobicContact CB-CG 3.89Å; L97-Y127 HydrophobicContact CD1-CD2 3.72Å; L97-Y127 HydrophobicContact CD1-CE2 4.29Å; L97-Y127 HydrophobicContact CD1-CG 4.15Å; L97-Y127 HydrophobicContact CG-CD2 4.49Å; L97-F128 HydrophobicContact CD1-CE2 3.81Å; L97-F128 HydrophobicContact CD1-CZ 3.77Å; L97-F128 HydrophobicContact CD2-CE1 4.32Å; L97-F128 HydrophobicContact CD2-CZ 3.66Å; L97-F128 HydrophobicContact CG-CZ 4.38Å
98S97.9Very high97.9Very high82 Ų8240 Ų4057%0.57326%0.256SS*.Hα-helixtrans-68-23.6176-170.60000114.1G94 L96G94-S98 WeakPolarHBondContact O-CB 3.38Å; G94-S98 PolarHBondContact O-N 3Å; L96-S98 PolarHBondContact O-N 3.26Å
99A97.9Very high97.8Very high37 Ų3736 Ų3631%0.30624%0.239SC..Hα-helixtrans-88.9-20-17800000113A95 L96 L97 T220 A221A95-A99 PolarHBondContact O-N 3.43Å; L96-A99 PolarHBondContact O-N 3.05Å; L97-A99 VanDerWaalsContact C-N 3.27Å; L97-A99 PolarHBondContact O-N 3.26Å; A99-T220 HydrophobicContact CB-CG2 4.24Å; A99-T220 CarbonylContact O-C 3.55Å; A99-T220 WeakPolarHBondContact O-CA 3.32Å; A99-T220 WeakPolarHBondContact O-CB 3.41Å; A99-A221 PolarHBondContact O-N 2.59Å
100I98Very high97.4Very high16 Ų1634.6 Ų34.68%0.08223%0.228CC..BIsolated β-bridgetrans-73132.4-177.1-67.8164.8000110.7V7 F9 L96 A102 M104 W212 I219 T220V7-I100 HydrophobicContact CG2-CG2 4.38Å; F9-I100 HydrophobicContact CE2-CD1 3.85Å; F9-I100 HydrophobicContact CZ-CD1 3.62Å; L96-I100 HydrophobicContact CD1-CD1 4.19Å; L96-I100 HydrophobicContact CD1-CG1 4.41Å; L96-I100 HydrophobicContact CG-CD1 4.05Å; L96-I100 WeakPolarHBondContact O-CG1 3.36Å; L96-I100 PolarHBondContact O-N 3.07Å; I100-A102 HydrophobicContact CG2-CB 4.22Å; I100-A102 WeakPolarHBondContact CG2-O 3.49Å; I100-M104 HydrophobicContact CB-CE 4.24Å; I100-M104 HydrophobicContact CB-CG 4.47Å; I100-M104 HydrophobicContact CB-SD 3.67Å; I100-M104 HydrophobicContact CD1-SD 3.52Å; I100-M104 VanDerWaalsContact CD1-SD 3.52Å; I100-M104 HydrophobicContact CG1-SD 4.19Å; I100-M104 HydrophobicContact CG2-CE 4.32Å; I100-M104 HydrophobicContact CG2-CG 3.7Å; I100-M104 HydrophobicContact CG2-SD 3.57Å; I100-M104 VanDerWaalsContact CG2-SD 3.57Å; I100-W212 HydrophobicContact CD1-CH2 3.87Å; I100-W212 HydrophobicContact CD1-CZ3 4.13Å; I100-W212 HydrophobicContact CG1-CH2 4.24Å; I100-W212 HydrophobicContact CG1-CZ3 3.97Å; I100-I219 WeakPolarHBondContact CA-O 3.42Å; I100-I219 HydrophobicContact CG1-CG2 4.44Å; I100-I219 HydrophobicContact CG2-CG2 4.06Å; I100-T220 HydrophobicContact CG1-CG2 4Å
101T96.4Very high97.2Very high87 Ų8734.2 Ų34.253%0.53423%0.227SC..  trans-106.7-12.717862.90000113I219 A221T101-I219 PolarHBondContact N-O 3.38Å; T101-I219 PolarHBondContact OG1-O 3.05Å; T101-A221 HydrophobicContact CG2-CB 3.93Å
102A96.1Very high97Very high14 Ų1428.9 Ų28.912%0.11620%0.204CC..SBendtrans-78.7156.2173.600000111.6V7 I100 I219V7-A102 HydrophobicContact CG2-CB 4.4Å; I100-A102 HydrophobicContact CG2-CB 4.22Å; I100-A102 WeakPolarHBondContact CG2-O 3.49Å; A102-I219 HydrophobicContact CB-CG2 4.15Å
103P97.5Very high96.9Very high70 Ų7032.5 Ų32.546%0.45522%0.216SC..  trans-53.5141.2168.4-2635000112.1E5 A6 V7 M155E5-P103 WeakPolarHBondContact O-CD 3.47Å; E5-P103 WeakPolarHBondContact O-CG 3.5Å; A6-P103 CarbonylContact C-O 3.59Å; A6-P103 WeakPolarHBondContact CA-O 3.41Å; A6-P103 HydrophobicContact CB-CB 4.24Å; A6-P103 WeakPolarHBondContact CB-O 3.21Å; V7-P103 PolarHBondContact N-O 2.88Å; P103-M155 HydrophobicContact CB-CE 3.45Å; P103-M155 VanDerWaalsContact CB-CE 3.45Å
104M98.5Very high96.7Very high22 Ų2233.9 Ų33.911%0.10822%0.221CC..EExtended strand (participates in β ladder)trans-127.5151.9179.3-58.4-175.2-77.600111.9V7 F9 L97 I100 Y127 F128V7-M104 HydrophobicContact CB-CG 4.35Å; V7-M104 VanDerWaalsContact O-CA 3.29Å; V7-M104 WeakPolarHBondContact O-CA 3.47Å; F9-M104 HydrophobicContact CE2-CG 4.41Å; F9-M104 HydrophobicContact CE2-SD 3.94Å; L97-M104 HydrophobicContact CD2-CE 4.41Å; L97-M104 HydrophobicContact CD2-SD 3.73Å; I100-M104 HydrophobicContact CB-CE 4.24Å; I100-M104 HydrophobicContact CB-CG 4.47Å; I100-M104 HydrophobicContact CB-SD 3.67Å; I100-M104 HydrophobicContact CD1-SD 3.52Å; I100-M104 VanDerWaalsContact CD1-SD 3.52Å; I100-M104 HydrophobicContact CG1-SD 4.19Å; I100-M104 HydrophobicContact CG2-CE 4.32Å; I100-M104 HydrophobicContact CG2-CG 3.7Å; I100-M104 HydrophobicContact CG2-SD 3.57Å; I100-M104 VanDerWaalsContact CG2-SD 3.57Å; M104-Y127 HydrophobicContact CE-CD1 4.43Å; M104-F128 HydrophobicContact CB-CD1 3.94Å; M104-F128 HydrophobicContact CB-CE1 3.72Å
105C98.7Very high96.7Very high0 Ų032.3 Ų32.30%021%0.206CC..EExtended strand (participates in β ladder)trans-144.7165.6167.2730000111.4V7 F8 F9 K131 F133 M155V7-C105 PolarHBondContact O-N 3.03Å; V7-C105 VanDerWaalsContact O-N 3.08Å; F8-C105 WeakPolarHBondContact CD1-SG 3.16Å; F8-C105 WeakPolarHBondContact CG-SG 3.5Å; F9-C105 PolarHBondContact N-O 3.02Å; C105-K131 WeakPolarHBondContact CA-O 3.45Å; C105-K131 HydrophobicContact CB-CB 3.81Å; C105-K131 WeakPolarHBondContact CB-O 3.28Å; C105-F133 HydrophobicContact CB-CD2 3.89Å; C105-F133 HydrophobicContact CB-CE2 3.64Å; C105-M155 HydrophobicContact CB-SD 3.55Å; C105-M155 VanDerWaalsContact CB-SD 3.55Å
106V98.8Very high96.6Very high0 Ų032.7 Ų32.70%019%0.194CC..EExtended strand (participates in β ladder)trans-107.8133.5169.2-179.20000109.2F9 C11 L15 M115 M119 F128 K131 L132 F133F9-V106 CarbonylContact O-C 3.59Å; F9-V106 VanDerWaalsContact O-CA 3.23Å; F9-V106 WeakPolarHBondContact O-CA 3.43Å; C11-V106 HydrophobicContact CB-CG1 3.73Å; L15-V106 HydrophobicContact CD1-CG2 4.23Å; V106-M115 HydrophobicContact CG1-SD 3.7Å; V106-M119 HydrophobicContact CG2-CE 4.41Å; V106-M119 HydrophobicContact CG2-SD 3.86Å; V106-F128 HydrophobicContact CG2-CD1 3.81Å; V106-F128 HydrophobicContact CG2-CD2 3.77Å; V106-F128 HydrophobicContact CG2-CE1 3.73Å; V106-F128 HydrophobicContact CG2-CE2 3.72Å; V106-F128 HydrophobicContact CG2-CG 3.81Å; V106-F128 HydrophobicContact CG2-CZ 3.69Å; V106-K131 PolarHBondContact N-O 2.96Å; V106-L132 HydrophobicContact CB-CD2 3.82Å; V106-L132 HydrophobicContact CG2-CD2 3.84Å; V106-F133 PolarHBondContact O-N 3.16Å
107V98.7Very high96.6Very high0 Ų035 Ų350%021%0.205CC..EExtended strand (participates in β ladder)trans-121.9112.6173.7-76.10000108F8 F9 D10 F133 K142 L147 M148 A151 L164F8-V107 HydrophobicContact CB-CG2 4.08Å; F8-V107 HydrophobicContact CD2-CG1 4Å; F8-V107 HydrophobicContact CD2-CG2 4.42Å; F9-V107 PolarHBondContact O-N 2.88Å; D10-V107 WeakPolarHBondContact CA-O 3.34Å; D10-V107 VanDerWaalsContact OD1-O 3.13Å; V107-F133 WeakPolarHBondContact CA-O 3.3Å; V107-F133 HydrophobicContact CG1-CB 4.18Å; V107-F133 HydrophobicContact CG1-CD2 4.41Å; V107-K142 VanDerWaalsContact O-CE 3.29Å; V107-K142 WeakPolarHBondContact O-CE 3.43Å; V107-K142 PolarHBondContact O-NZ 2.83Å; V107-L147 HydrophobicContact CB-CD2 4.1Å; V107-L147 HydrophobicContact CB-CG 4.19Å; V107-L147 HydrophobicContact CG1-CG 4.25Å; V107-M148 HydrophobicContact CB-CE 4.35Å; V107-M148 HydrophobicContact CB-SD 4.37Å; V107-M148 HydrophobicContact CG1-SD 4.34Å; V107-M148 HydrophobicContact CG2-CE 3.86Å; V107-M148 HydrophobicContact CG2-SD 3.9Å; V107-A151 HydrophobicContact CG1-CB 3.61Å; V107-L164 HydrophobicContact CG2-CD1 3.78Å
108S97.4Very high96.5Very high2 Ų235 Ų351%0.01420%0.204CC..EExtended strand (participates in β ladder)trans-131.4147.2-175.5-175.60000112.5G110 M115 F133 S134 G135S108-G110 PolarHBondContact OG-N 3.39Å; S108-M115 WeakPolarHBondContact CB-SD 3.44Å; S108-F133 PolarHBondContact N-O 2.85Å; S108-S134 CarbonylContact O-C 3.52Å; S108-S134 WeakPolarHBondContact O-CA 3.32Å; S108-G135 PolarHBondContact O-N 2.99Å
109N94.7Very high96.5Very high52 Ų5231 Ų3128%0.27818%0.177SC..SBendtrans-72-20165.6-84.3-8.3000112.4Y136 W141 K142N109-Y136 WeakPolarHBondContact O-CD2 3.5Å; N109-Y136 WeakPolarHBondContact O-CE2 3.25Å; N109-W141 VanDerWaalsContact OD1-CA 3.27Å; N109-W141 WeakPolarHBondContact OD1-CA 3.33Å; N109-W141 VanDerWaalsContact OD1-CB 3.29Å; N109-W141 WeakPolarHBondContact OD1-CB 3.28Å; N109-K142 PolarHBondContact ND2-O 2.9Å; N109-K142 PolarHBondContact OD1-N 2.67Å
110G91.3Very high96.4Very high11 Ų1131 Ų3111%0.11318%0.18CC..SBendtrans-73155.4177.400000112.7S108 S134S108-G110 PolarHBondContact OG-N 3.39Å; G110-S134 WeakPolarHBondContact O-CB 3.36Å; G110-S134 PolarHBondContact O-OG 3.27Å
111P91.9Very high96.4Very high14 Ų1435.2 Ų35.29%0.09120%0.198CC..  trans-71.4153.8-178.832.5-37000111.8N113 K114 M115 Y136P111-N113 VanDerWaalsContact C-N 3.3Å; P111-N113 VanDerWaalsContact CB-OD1 3.27Å; P111-N113 WeakPolarHBondContact CB-OD1 3.39Å; P111-N113 VanDerWaalsContact CG-OD1 3.27Å; P111-N113 WeakPolarHBondContact CG-OD1 3.29Å; P111-N113 PolarHBondContact O-N 3.09Å; P111-K114 HydrophobicContact CG-CB 3.86Å; P111-K114 WeakPolarHBondContact O-CB 3.47Å; P111-K114 PolarHBondContact O-N 3.46Å; P111-M115 PolarHBondContact O-N 3.25Å; P111-Y136 HydrophobicContact CB-CD2 3.88Å; P111-Y136 HydrophobicContact CB-CE2 4Å; P111-Y136 HydrophobicContact CB-CG 4.19Å; P111-Y136 HydrophobicContact CG-CE2 4.39Å
112N94.9Very high96.4Very high50 Ų5033 Ų3327%0.26718%0.182SC..Hα-helixtrans-56.7-41.4-176.5-166.9-73.7000112.8K114 M115 Q116N112-K114 VanDerWaalsContact C-N 3.29Å; N112-K114 PolarHBondContact O-N 2.97Å; N112-M115 HydrophobicContact CB-CE 4.48Å; N112-M115 WeakPolarHBondContact O-CB 3.43Å; N112-M115 PolarHBondContact O-N 3.41Å; N112-M115 VanDerWaalsContact O-N 3.14Å; N112-Q116 VanDerWaalsContact O-CG 3.25Å; N112-Q116 WeakPolarHBondContact O-CG 3.42Å; N112-Q116 PolarHBondContact O-N 3.42Å; N112-Q116 WeakPolarHBondContact OD1-CG 3.49Å; N112-Q116 PolarHBondContact OD1-NE2 3.33Å
113N94.5Very high96.5Very high107 Ų10738 Ų3857%0.57221%0.207SC*.Hα-helixtrans-60.8-34.6177.866-25.7000113.5P111 H117P111-N113 VanDerWaalsContact C-N 3.3Å; P111-N113 VanDerWaalsContact CB-OD1 3.27Å; P111-N113 WeakPolarHBondContact CB-OD1 3.39Å; P111-N113 VanDerWaalsContact CG-OD1 3.27Å; P111-N113 WeakPolarHBondContact CG-OD1 3.29Å; P111-N113 PolarHBondContact O-N 3.09Å; N113-H117 WeakPolarHBondContact O-CB 3.46Å; N113-H117 PolarHBondContact O-N 2.95Å
114K94.7Very high96.5Very high29 Ų2934.9 Ų34.913%0.12619%0.186CC..Hα-helixtrans-65.3-47.2174.2-175.7-175.8-170-108.20110.3D12 S18 F83 P111 N112 H117 S118D12-K114 IonicContact OD1-NZ 3.13Å; D12-K114 PolarHBondContact OD1-NZ 3.3Å; D12-K114 IonicContact OD2-NZ 3.25Å; D12-K114 PolarHBondContact OD2-NZ 2.92Å; S18-K114 PolarHBondContact OG-NZ 3.29Å; F83-K114 HydrophobicContact CE2-CG 3.82Å; F83-K114 HydrophobicContact CZ-CG 4.36Å; P111-K114 HydrophobicContact CG-CB 3.86Å; P111-K114 WeakPolarHBondContact O-CB 3.47Å; P111-K114 PolarHBondContact O-N 3.46Å; N112-K114 VanDerWaalsContact C-N 3.29Å; N112-K114 PolarHBondContact O-N 2.97Å; K114-H117 PolarHBondContact O-N 2.9Å; K114-S118 WeakPolarHBondContact O-CB 3.42Å; K114-S118 PolarHBondContact O-N 3.34Å; K114-S118 PolarHBondContact O-OG 2.98Å; K114-S118 VanDerWaalsContact O-OG 3.05Å
115M96.7Very high96.5Very high1 Ų136.3 Ų36.31%0.00519%0.194CC..Hα-helixtrans-59.9-44.5176.3-76.4-167-69.200112.2C11 V106 S108 P111 N112 H117 S118 M119 L132C11-M115 HydrophobicContact CB-CG 4.23Å; C11-M115 HydrophobicContact CB-SD 4.41Å; V106-M115 HydrophobicContact CG1-SD 3.7Å; S108-M115 WeakPolarHBondContact CB-SD 3.44Å; P111-M115 PolarHBondContact O-N 3.25Å; N112-M115 HydrophobicContact CB-CE 4.48Å; N112-M115 WeakPolarHBondContact O-CB 3.43Å; N112-M115 PolarHBondContact O-N 3.41Å; N112-M115 VanDerWaalsContact O-N 3.14Å; M115-H117 VanDerWaalsContact C-N 3.34Å; M115-H117 PolarHBondContact O-N 2.94Å; M115-S118 PolarHBondContact O-OG 3.34Å; M115-M119 HydrophobicContact CB-CE 3.56Å; M115-M119 HydrophobicContact CG-CE 4.2Å; M115-M119 WeakPolarHBondContact O-CB 3.25Å; M115-M119 VanDerWaalsContact O-CE 3.23Å; M115-M119 WeakPolarHBondContact O-CE 3.45Å; M115-M119 PolarHBondContact O-N 3.41Å; M115-M119 HydrophobicContact SD-CE 4.49Å; M115-L132 HydrophobicContact CB-CD1 4.33Å; M115-L132 HydrophobicContact CE-CB 4.16Å; M115-L132 HydrophobicContact SD-CB 4.49Å
116Q97.3Very high96.4Very high84 Ų8441.3 Ų41.339%0.39322%0.218SC..Hα-helixtrans-61.1-43.8177.2-68.5-72.1-4.500111.6N112 G120 L132N112-Q116 VanDerWaalsContact O-CG 3.25Å; N112-Q116 WeakPolarHBondContact O-CG 3.42Å; N112-Q116 PolarHBondContact O-N 3.42Å; N112-Q116 WeakPolarHBondContact OD1-CG 3.49Å; N112-Q116 PolarHBondContact OD1-NE2 3.33Å; Q116-G120 WeakPolarHBondContact O-CA 3.41Å; Q116-G120 PolarHBondContact O-N 2.86Å; Q116-L132 HydrophobicContact CG-CD1 4.37Å
117H97.1Very high96.4Very high56 Ų5644 Ų4426%0.25923%0.228SC..Hα-helixtrans-65.5-53.4177.8-173.3-178.5000111.4A80 D84 N113 K114 M115 G120 K121A80-H117 PolarHBondContact O-CE1 3.2Å; A80-H117 VanDerWaalsContact O-CE1 3.3Å; D84-H117 IonicContact OD1-CD2 3.49Å; D84-H117 IonicContact OD1-CE1 3.56Å; D84-H117 IonicContact OD1-NE2 3.5Å; D84-H117 PolarHBondContact OD1-NE2 2.97Å; D84-H117 IonicContact OD2-NE2 3.58Å; N113-H117 WeakPolarHBondContact O-CB 3.46Å; N113-H117 PolarHBondContact O-N 2.95Å; K114-H117 PolarHBondContact O-N 2.9Å; M115-H117 VanDerWaalsContact C-N 3.34Å; M115-H117 PolarHBondContact O-N 2.94Å; H117-G120 PolarHBondContact O-N 3.27Å; H117-K121 VanDerWaalsContact O-CB 3.25Å; H117-K121 WeakPolarHBondContact O-CB 3.36Å; H117-K121 PolarHBondContact O-N 2.98Å
118S97.6Very high96.3Very high0 Ų044.2 Ų44.20%023%0.229CC..Hα-helixtrans-63.3-54.1-175.558.10000112.3L87 K114 M115 G120 K121 L122L87-S118 VanDerWaalsContact CD2-CA 3.5Å; K114-S118 WeakPolarHBondContact O-CB 3.42Å; K114-S118 PolarHBondContact O-N 3.34Å; K114-S118 PolarHBondContact O-OG 2.98Å; K114-S118 VanDerWaalsContact O-OG 3.05Å; M115-S118 PolarHBondContact O-OG 3.34Å; S118-G120 VanDerWaalsContact C-N 3.3Å; S118-G120 PolarHBondContact O-N 3.44Å; S118-K121 PolarHBondContact O-N 3.5Å; S118-L122 WeakPolarHBondContact O-CG 3.41Å; S118-L122 PolarHBondContact O-N 3.5Å; S118-L122 VanDerWaalsContact O-N 3.09Å
119M97.5Very high96.2Very high0 Ų048.4 Ų48.40%026%0.256CS..Hα-helixtrans-69-29.9179.2-72.1-178.6-72.700112.3V16 V106 M115 L122 N123 M124 L125 F128 L132V16-M119 HydrophobicContact CG2-CG 4.38Å; V106-M119 HydrophobicContact CG2-CE 4.41Å; V106-M119 HydrophobicContact CG2-SD 3.86Å; M115-M119 HydrophobicContact CB-CE 3.56Å; M115-M119 HydrophobicContact CG-CE 4.2Å; M115-M119 WeakPolarHBondContact O-CB 3.25Å; M115-M119 VanDerWaalsContact O-CE 3.23Å; M115-M119 WeakPolarHBondContact O-CE 3.45Å; M115-M119 PolarHBondContact O-N 3.41Å; M115-M119 HydrophobicContact SD-CE 4.49Å; M119-L122 PolarHBondContact O-N 2.95Å; M119-N123 PolarHBondContact O-N 3.18Å; M119-N123 VanDerWaalsContact O-N 3.11Å; M119-M124 HydrophobicContact CB-CB 4.17Å; M119-M124 HydrophobicContact CG-CB 4.33Å; M119-M124 PolarHBondContact O-N 2.9Å; M119-L125 HydrophobicContact CB-CD2 3.64Å; M119-L125 HydrophobicContact CB-CG 3.93Å; M119-L125 HydrophobicContact CE-CD2 4.16Å; M119-F128 HydrophobicContact SD-CD2 3.98Å; M119-F128 HydrophobicContact SD-CE2 4.11Å; M119-L132 HydrophobicContact CE-CD1 3.51Å; M119-L132 HydrophobicContact CE-CD2 3.4Å; M119-L132 HydrophobicContact CE-CG 4.07Å; M119-L132 HydrophobicContact SD-CD2 4.06Å
120G96.8Very high96.1Very high35 Ų3553.4 Ų53.436%0.36128%0.283SS..Hα-helixtrans-65.4-46.6174.400000111.3Q116 H117 S118 L122 N123 L125Q116-G120 WeakPolarHBondContact O-CA 3.41Å; Q116-G120 PolarHBondContact O-N 2.86Å; H117-G120 PolarHBondContact O-N 3.27Å; S118-G120 VanDerWaalsContact C-N 3.3Å; S118-G120 PolarHBondContact O-N 3.44Å; G120-L122 VanDerWaalsContact C-N 3.25Å; G120-L122 PolarHBondContact O-N 2.95Å; G120-N123 PolarHBondContact O-N 2.64Å; G120-N123 VanDerWaalsContact O-N 3.09Å; G120-L125 VanDerWaalsContact CA-CD1 3.49Å
121K97Very high96.4Very high106 Ų10655.8 Ų55.846%0.46129%0.29SS..Hα-helixtrans-58.1-38.4175.8178.659.9174.7-1730112.4D84 L87 H117 S118 N123D84-K121 WeakPolarHBondContact O-CE 3.29Å; D84-K121 PolarHBondContact O-NZ 3.37Å; L87-K121 HydrophobicContact CD2-CB 4.48Å; H117-K121 VanDerWaalsContact O-CB 3.25Å; H117-K121 WeakPolarHBondContact O-CB 3.36Å; H117-K121 PolarHBondContact O-N 2.98Å; S118-K121 PolarHBondContact O-N 3.5Å; K121-N123 VanDerWaalsContact C-N 3.32Å
122L97.7Very high96.7Very high40 Ų4055.9 Ų55.921%0.20929%0.29CS..THydrogen-bonded Turntrans-88.24.7-180-62.2173.6000113.9V16 L87 A89 S118 M119 G120 M124V16-L122 HydrophobicContact CB-CD1 4.29Å; V16-L122 HydrophobicContact CG1-CD1 3.92Å; V16-L122 HydrophobicContact CG2-CD1 3.86Å; L87-L122 HydrophobicContact CD2-CD1 4.05Å; L87-L122 HydrophobicContact CD2-CG 4.13Å; L87-L122 HydrophobicContact CG-CD1 4.18Å; L87-L122 HydrophobicContact CG-CD2 4.44Å; L87-L122 HydrophobicContact CG-CG 4.38Å; A89-L122 HydrophobicContact CB-CD1 4.03Å; A89-L122 HydrophobicContact CB-CD2 4.34Å; S118-L122 WeakPolarHBondContact O-CG 3.41Å; S118-L122 PolarHBondContact O-N 3.5Å; S118-L122 VanDerWaalsContact O-N 3.09Å; M119-L122 PolarHBondContact O-N 2.95Å; G120-L122 VanDerWaalsContact C-N 3.25Å; G120-L122 PolarHBondContact O-N 2.95Å; L122-M124 VanDerWaalsContact C-N 3.3Å; L122-M124 HydrophobicContact CB-CG 4.09Å; L122-M124 HydrophobicContact CB-SD 3.82Å; L122-M124 HydrophobicContact CD1-SD 4.16Å; L122-M124 PolarHBondContact O-N 2.96Å
123N96.7Very high96.9Very high118 Ų11854.1 Ų54.163%0.63128%0.28SS*.THydrogen-bonded Turntrans54.441.6-176.5-170.236.9000113.3M119 G120 K121 H126M119-N123 PolarHBondContact O-N 3.18Å; M119-N123 VanDerWaalsContact O-N 3.11Å; G120-N123 PolarHBondContact O-N 2.64Å; G120-N123 VanDerWaalsContact O-N 3.09Å; K121-N123 VanDerWaalsContact C-N 3.32Å; N123-H126 PolarHBondContact O-CE1 2.91Å; N123-H126 PolarHBondContact O-ND1 2.97Å
124M97.9Very high97Very high5 Ų549 Ų493%0.02525%0.253CS..  trans-109.1-11.5-178.7-67.1170.376.400113.8L15 A89 A93 L97 M119 L122 H126 Y127L15-M124 HydrophobicContact CB-CE 3.99Å; L15-M124 HydrophobicContact CD1-CE 4.45Å; L15-M124 HydrophobicContact CD2-CE 4.25Å; L15-M124 HydrophobicContact CG-CE 4.46Å; A89-M124 HydrophobicContact CB-SD 4.18Å; A93-M124 HydrophobicContact CB-CE 3.9Å; L97-M124 HydrophobicContact CD1-CE 3.36Å; M119-M124 HydrophobicContact CB-CB 4.17Å; M119-M124 HydrophobicContact CG-CB 4.33Å; M119-M124 PolarHBondContact O-N 2.9Å; L122-M124 VanDerWaalsContact C-N 3.3Å; L122-M124 HydrophobicContact CB-CG 4.09Å; L122-M124 HydrophobicContact CB-SD 3.82Å; L122-M124 HydrophobicContact CD1-SD 4.16Å; L122-M124 PolarHBondContact O-N 2.96Å; M124-H126 PolarHBondContact O-N 3.12Å; M124-H126 VanDerWaalsContact O-N 3.13Å; M124-Y127 HydrophobicContact CB-CD2 4.28Å; M124-Y127 WeakPolarHBondContact O-CD2 3.27Å; M124-Y127 PolarHBondContact O-N 3.22Å; M124-Y127 VanDerWaalsContact O-N 3.11Å
125L97.9Very high97Very high53 Ų5347.7 Ų47.728%0.27725%0.247SC..G310 helixtrans-57.1-31.9-178.5-71.7174.6000113.8M119 G120 Y127 F128 L132M119-L125 HydrophobicContact CB-CD2 3.64Å; M119-L125 HydrophobicContact CB-CG 3.93Å; M119-L125 HydrophobicContact CE-CD2 4.16Å; G120-L125 VanDerWaalsContact CA-CD1 3.49Å; L125-Y127 PolarHBondContact O-N 3.39Å; L125-F128 CarbonylContact O-C 3.53Å; L125-F128 PolarHBondContact O-N 3.06Å; L125-L132 HydrophobicContact CD2-CD1 3.81Å
126H97.3Very high96.9Very high105 Ų10552.1 Ų52.149%0.48626%0.264SS..G310 helixtrans-66.2-17.5-177.868.6-93.4000113.4N123 M124 F128N123-H126 PolarHBondContact O-CE1 2.91Å; N123-H126 PolarHBondContact O-ND1 2.97Å; M124-H126 PolarHBondContact O-N 3.12Å; M124-H126 VanDerWaalsContact O-N 3.13Å; H126-F128 VanDerWaalsContact C-N 3.31Å
127Y98.1Very high96.7Very high56 Ų5652.3 Ų52.322%0.2227%0.268CS..G310 helixtrans-76.3-17.7172.2-63.1-66000113.1L97 M104 M124 L125L97-Y127 HydrophobicContact CB-CD1 4Å; L97-Y127 HydrophobicContact CB-CD2 3.91Å; L97-Y127 HydrophobicContact CB-CE1 4.16Å; L97-Y127 HydrophobicContact CB-CE2 4.06Å; L97-Y127 HydrophobicContact CB-CG 3.89Å; L97-Y127 HydrophobicContact CD1-CD2 3.72Å; L97-Y127 HydrophobicContact CD1-CE2 4.29Å; L97-Y127 HydrophobicContact CD1-CG 4.15Å; L97-Y127 HydrophobicContact CG-CD2 4.49Å; M104-Y127 HydrophobicContact CE-CD1 4.43Å; M124-Y127 HydrophobicContact CB-CD2 4.28Å; M124-Y127 WeakPolarHBondContact O-CD2 3.27Å; M124-Y127 PolarHBondContact O-N 3.22Å; M124-Y127 VanDerWaalsContact O-N 3.11Å; L125-Y127 PolarHBondContact O-N 3.39Å
128F97.7Very high96.7Very high4 Ų451.8 Ų51.82%0.01827%0.266CS..SBendtrans-131.753.9-171.9-48.8-76.7000113.3F9 L15 L97 M104 V106 M119 L125 H126 D130 K131 L132F9-F128 HydrophobicContact CD2-CE1 4.24Å; F9-F128 HydrophobicContact CD2-CZ 4.44Å; L15-F128 HydrophobicContact CD1-CE2 4.06Å; L15-F128 HydrophobicContact CD1-CZ 3.74Å; L97-F128 HydrophobicContact CD1-CE2 3.81Å; L97-F128 HydrophobicContact CD1-CZ 3.77Å; L97-F128 HydrophobicContact CD2-CE1 4.32Å; L97-F128 HydrophobicContact CD2-CZ 3.66Å; L97-F128 HydrophobicContact CG-CZ 4.38Å; M104-F128 HydrophobicContact CB-CD1 3.94Å; M104-F128 HydrophobicContact CB-CE1 3.72Å; V106-F128 HydrophobicContact CG2-CD1 3.81Å; V106-F128 HydrophobicContact CG2-CD2 3.77Å; V106-F128 HydrophobicContact CG2-CE1 3.73Å; V106-F128 HydrophobicContact CG2-CE2 3.72Å; V106-F128 HydrophobicContact CG2-CG 3.81Å; V106-F128 HydrophobicContact CG2-CZ 3.69Å; M119-F128 HydrophobicContact SD-CD2 3.98Å; M119-F128 HydrophobicContact SD-CE2 4.11Å; L125-F128 CarbonylContact O-C 3.53Å; L125-F128 PolarHBondContact O-N 3.06Å; H126-F128 VanDerWaalsContact C-N 3.31Å; F128-D130 PolarHBondContact O-N 3.34Å; F128-K131 HydrophobicContact CB-CB 4.45Å; F128-K131 PolarHBondContact O-N 3.49Å; F128-L132 HydrophobicContact CB-CD2 3.66Å; F128-L132 HydrophobicContact CD2-CD2 4.43Å; F128-L132 HydrophobicContact CG-CD2 4.22Å
129P94.1Very high96.6Very high91 Ų9156.9 Ų56.959%0.59129%0.29SS*.THydrogen-bonded Turntrans-60.1113.2-175.927.1-35.2000111K131P129-K131 WeakPolarHBondContact O-CG 3.27Å; P129-K131 PolarHBondContact O-N 2.67Å
130D92.9Very high96.5Very high156 Ų15663.2 Ų63.283%0.83431%0.314SS*.THydrogen-bonded Turntrans56.127.8-177.2-53.4-48.6000114.4F128F128-D130 PolarHBondContact O-N 3.34Å
131K97.8Very high96.4Very high62 Ų6264.7 Ų64.727%0.2731%0.309SS..  trans-123.641.1-178.8-61.9-57.3173-157.30113C105 V106 F128 P129 F133 A154 M155C105-K131 WeakPolarHBondContact CA-O 3.45Å; C105-K131 HydrophobicContact CB-CB 3.81Å; C105-K131 WeakPolarHBondContact CB-O 3.28Å; V106-K131 PolarHBondContact N-O 2.96Å; F128-K131 HydrophobicContact CB-CB 4.45Å; F128-K131 PolarHBondContact O-N 3.49Å; P129-K131 WeakPolarHBondContact O-CG 3.27Å; P129-K131 PolarHBondContact O-N 2.67Å; K131-F133 HydrophobicContact CB-CE2 4.31Å; K131-F133 HydrophobicContact CD-CE2 4.16Å; K131-F133 HydrophobicContact CD-CZ 3.9Å; K131-A154 PolarHBondContact NZ-O 2.93Å; K131-M155 HydrophobicContact CD-CG 4.02Å
132L98.3Very high96.3Very high15 Ų1560 Ų608%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-105.7113.1170.5-51.2-172.9000109.1V106 M115 Q116 M119 L125 F128V106-L132 HydrophobicContact CB-CD2 3.82Å; V106-L132 HydrophobicContact CG2-CD2 3.84Å; M115-L132 HydrophobicContact CB-CD1 4.33Å; M115-L132 HydrophobicContact CE-CB 4.16Å; M115-L132 HydrophobicContact SD-CB 4.49Å; Q116-L132 HydrophobicContact CG-CD1 4.37Å; M119-L132 HydrophobicContact CE-CD1 3.51Å; M119-L132 HydrophobicContact CE-CD2 3.4Å; M119-L132 HydrophobicContact CE-CG 4.07Å; M119-L132 HydrophobicContact SD-CD2 4.06Å; L125-L132 HydrophobicContact CD2-CD1 3.81Å; F128-L132 HydrophobicContact CB-CD2 3.66Å; F128-L132 HydrophobicContact CD2-CD2 4.43Å; F128-L132 HydrophobicContact CG-CD2 4.22Å
133F98.4Very high96.3Very high14 Ų1461.3 Ų61.36%0.06130%0.299CS..EExtended strand (participates in β ladder)trans-112.3115.8-177.2-58.2-71000110C105 V106 V107 S108 K131 L147 H150 A151 A154 M155C105-F133 HydrophobicContact CB-CD2 3.89Å; C105-F133 HydrophobicContact CB-CE2 3.64Å; V106-F133 PolarHBondContact O-N 3.16Å; V107-F133 WeakPolarHBondContact CA-O 3.3Å; V107-F133 HydrophobicContact CG1-CB 4.18Å; V107-F133 HydrophobicContact CG1-CD2 4.41Å; S108-F133 PolarHBondContact N-O 2.85Å; K131-F133 HydrophobicContact CB-CE2 4.31Å; K131-F133 HydrophobicContact CD-CE2 4.16Å; K131-F133 HydrophobicContact CD-CZ 3.9Å; F133-L147 HydrophobicContact CB-CD1 4.06Å; F133-H150 AromaticContact CD1-CD2 3.7Å; F133-H150 AromaticContact CD1-NE2 3.69Å; F133-A151 HydrophobicContact CB-CB 4.3Å; F133-A151 HydrophobicContact CD2-CB 3.39Å; F133-A151 HydrophobicContact CE2-CB 3.75Å; F133-A151 HydrophobicContact CG-CB 3.82Å; F133-A151 HydrophobicContact CZ-CB 4.47Å; F133-A154 HydrophobicContact CE1-CB 3.41Å; F133-A154 VanDerWaalsContact CE1-CB 3.41Å; F133-A154 HydrophobicContact CZ-CB 3.51Å; F133-M155 HydrophobicContact CE2-CG 4.3Å; F133-M155 HydrophobicContact CZ-CG 4.48Å
134S97.3Very high96.3Very high0 Ų058.6 Ų58.60%029%0.285CS..EExtended strand (participates in β ladder)trans-99.7143.5178.2-178.20000111.2S108 G110 Y136 D137S108-S134 CarbonylContact O-C 3.52Å; S108-S134 WeakPolarHBondContact O-CA 3.32Å; G110-S134 WeakPolarHBondContact O-CB 3.36Å; G110-S134 PolarHBondContact O-OG 3.27Å; S134-Y136 PolarHBondContact O-N 3.2Å; S134-Y136 VanDerWaalsContact O-N 3.16Å; S134-Y136 WeakPolarHBondContact OG-CB 3.48Å; S134-Y136 PolarHBondContact OG-N 3.12Å; S134-D137 VanDerWaalsContact CB-OD2 3.29Å; S134-D137 WeakPolarHBondContact CB-OD2 3.35Å; S134-D137 PolarHBondContact N-OD2 2.8Å; S134-D137 WeakPolarHBondContact O-CB 3.43Å; S134-D137 PolarHBondContact O-N 2.91Å
135G95.5Very high96.3Very high0 Ų059.7 Ų59.70%029%0.292CS..Hα-helixtrans-58.2-23.516600000113.3S108 D137 Q139 R140S108-G135 PolarHBondContact O-N 2.99Å; G135-D137 VanDerWaalsContact C-N 3.34Å; G135-Q139 VanDerWaalsContact O-CA 3.28Å; G135-Q139 WeakPolarHBondContact O-CA 3.47Å; G135-Q139 PolarHBondContact O-N 3.26Å; G135-R140 CarbonylContact C-O 3.14Å; G135-R140 WeakPolarHBondContact CA-O 3.08Å; G135-R140 PolarHBondContact O-N 3Å
136Y93.6Very high96.4Very high94 Ų9458.4 Ų58.437%0.36929%0.289SS..Hα-helixtrans-69-30.2172.7-75-98.1000112.9N109 P111 S134 I138 Q139 W141N109-Y136 WeakPolarHBondContact O-CD2 3.5Å; N109-Y136 WeakPolarHBondContact O-CE2 3.25Å; P111-Y136 HydrophobicContact CB-CD2 3.88Å; P111-Y136 HydrophobicContact CB-CE2 4Å; P111-Y136 HydrophobicContact CB-CG 4.19Å; P111-Y136 HydrophobicContact CG-CE2 4.39Å; S134-Y136 PolarHBondContact O-N 3.2Å; S134-Y136 VanDerWaalsContact O-N 3.16Å; S134-Y136 WeakPolarHBondContact OG-CB 3.48Å; S134-Y136 PolarHBondContact OG-N 3.12Å; Y136-I138 PolarHBondContact O-N 2.79Å; Y136-Q139 PolarHBondContact O-NE2 2.9Å; Y136-W141 AromaticContact CD2-NE1 3.86Å; Y136-W141 AromaticContact CE2-NE1 3.88Å
137D93.1Very high96.4Very high88 Ų8853.4 Ų53.447%0.47127%0.266SS..Hα-helixtrans-67.2-28.6-177.8-58.2-30.3000111.3S134 G135S134-D137 VanDerWaalsContact CB-OD2 3.29Å; S134-D137 WeakPolarHBondContact CB-OD2 3.35Å; S134-D137 PolarHBondContact N-OD2 2.8Å; S134-D137 WeakPolarHBondContact O-CB 3.43Å; S134-D137 PolarHBondContact O-N 2.91Å; G135-D137 VanDerWaalsContact C-N 3.34Å
138I96.6Very high96.5Very high45 Ų4550.8 Ų50.823%0.23126%0.256CS..Hα-helixtrans-119.50.6-177.662.9166.9000114.2Y136 R140 A146 L147 H150Y136-I138 PolarHBondContact O-N 2.79Å; I138-R140 VanDerWaalsContact C-N 3.28Å; I138-R140 HydrophobicContact CD1-CB 3.89Å; I138-R140 HydrophobicContact CD1-CG 4.45Å; I138-R140 HydrophobicContact CG1-CB 4.01Å; I138-R140 PolarHBondContact O-N 3.27Å; I138-A146 HydrophobicContact CD1-CB 4.3Å; I138-L147 HydrophobicContact CD1-CB 4.18Å; I138-L147 HydrophobicContact CD1-CD1 4.08Å; I138-L147 HydrophobicContact CG1-CD1 4.49Å; I138-H150 HydrophobicContact CD1-CB 4.01Å; I138-H150 HydrophobicContact CG2-CB 4.37Å
139Q95.6Very high96.5Very high107 Ų10755.1 Ų55.150%0.528%0.275SS..THydrogen-bonded Turntrans5442.8-176.3-58.3-66.6-59.600113G135 Y136 W141G135-Q139 VanDerWaalsContact O-CA 3.28Å; G135-Q139 WeakPolarHBondContact O-CA 3.47Å; G135-Q139 PolarHBondContact O-N 3.26Å; Y136-Q139 PolarHBondContact O-NE2 2.9Å; Q139-W141 HydrophobicContact CB-CH2 4.49Å
140R96.2Very high96.7Very high133 Ų13354 Ų5450%0.50226%0.262SS..  trans-144.8133.6176.9-63.4-64.4-171-97.72.4108.8G135 I138 D144 A146G135-R140 CarbonylContact C-O 3.14Å; G135-R140 WeakPolarHBondContact CA-O 3.08Å; G135-R140 PolarHBondContact O-N 3Å; I138-R140 VanDerWaalsContact C-N 3.28Å; I138-R140 HydrophobicContact CD1-CB 3.89Å; I138-R140 HydrophobicContact CD1-CG 4.45Å; I138-R140 HydrophobicContact CG1-CB 4.01Å; I138-R140 PolarHBondContact O-N 3.27Å; R140-D144 WeakPolarHBondContact CD-OD2 3.49Å; R140-D144 IonicContact NE-OD2 2.75Å; R140-A146 HydrophobicContact CB-CB 3.94Å; R140-A146 HydrophobicContact CG-CB 3.98Å
141W94.4Very high97Very high67 Ų6746.5 Ų46.525%0.25422%0.222SC..  trans-125146.8-173.7-62.4-90000110N109 Y136 Q139 D144N109-W141 VanDerWaalsContact OD1-CA 3.27Å; N109-W141 WeakPolarHBondContact OD1-CA 3.33Å; N109-W141 VanDerWaalsContact OD1-CB 3.29Å; N109-W141 WeakPolarHBondContact OD1-CB 3.28Å; Y136-W141 AromaticContact CD2-NE1 3.86Å; Y136-W141 AromaticContact CE2-NE1 3.88Å; Q139-W141 HydrophobicContact CB-CH2 4.49Å; W141-D144 WeakPolarHBondContact O-CB 3.43Å; W141-D144 PolarHBondContact O-N 3.02Å
142K95.8Very high97Very high8 Ų843.8 Ų43.84%0.03521%0.211CC..THydrogen-bonded Turntrans-48.3131.6167.5-55.7166.4179.1-170.30108.1D10 V107 N109 L147 M148 D166 A170D10-K142 IonicContact OD1-NZ 3.55Å; D10-K142 PolarHBondContact OD1-NZ 3.45Å; V107-K142 VanDerWaalsContact O-CE 3.29Å; V107-K142 WeakPolarHBondContact O-CE 3.43Å; V107-K142 PolarHBondContact O-NZ 2.83Å; N109-K142 PolarHBondContact ND2-O 2.9Å; N109-K142 PolarHBondContact OD1-N 2.67Å; K142-L147 HydrophobicContact CG-CD2 4.41Å; K142-M148 HydrophobicContact CD-CE 4.25Å; K142-M148 HydrophobicContact CG-CE 4.17Å; K142-D166 IonicContact NZ-OD2 2.77Å; K142-D166 PolarHBondContact NZ-OD2 3.44Å; K142-A170 HydrophobicContact CB-CB 4.28Å
143P96.4Very high97Very high67 Ų6751.5 Ų51.544%0.43524%0.244SC..THydrogen-bonded Turncis-85.31.318.834.9-37.9000116.6P145 A170 Q173 S174P143-P145 WeakPolarHBondContact O-CD 3.38Å; P143-A170 VanDerWaalsContact CA-O 3.26Å; P143-A170 WeakPolarHBondContact CA-O 3.22Å; P143-A170 HydrophobicContact CB-CB 4.49Å; P143-A170 WeakPolarHBondContact CB-O 3.48Å; P143-Q173 HydrophobicContact CB-CB 3.91Å; P143-Q173 HydrophobicContact CB-CG 3.93Å; P143-S174 VanDerWaalsContact O-CA 3.26Å; P143-S174 WeakPolarHBondContact O-CA 3.42Å; P143-S174 WeakPolarHBondContact O-CB 3.46Å
144D97.5Very high97Very high60 Ų6053 Ų5332%0.32126%0.258SS..SBendtrans-58.3125.9175.2-169-34.4000110.3R140 W141 A146 S174R140-D144 WeakPolarHBondContact CD-OD2 3.49Å; R140-D144 IonicContact NE-OD2 2.75Å; W141-D144 WeakPolarHBondContact O-CB 3.43Å; W141-D144 PolarHBondContact O-N 3.02Å; D144-A146 PolarHBondContact O-N 2.79Å; D144-A146 WeakPolarHBondContact OD1-CB 3.5Å; D144-A146 PolarHBondContact OD1-N 2.86Å; D144-S174 PolarHBondContact O-OG 2.93Å
145P98.5Very high97.1Very high28 Ų2854.3 Ų54.318%0.18227%0.265CS..THydrogen-bonded Turntrans-71.8-7.3179.430.9-37.7000113.6P143 L147 M148 F149 D177 A178P143-P145 WeakPolarHBondContact O-CD 3.38Å; P145-L147 PolarHBondContact O-N 3.31Å; P145-L147 VanDerWaalsContact O-N 3.12Å; P145-M148 WeakPolarHBondContact O-CB 3.49Å; P145-M148 PolarHBondContact O-N 2.83Å; P145-F149 HydrophobicContact CB-CD2 4.23Å; P145-F149 HydrophobicContact CB-CE2 3.68Å; P145-F149 HydrophobicContact CB-CZ 4.26Å; P145-F149 HydrophobicContact CG-CE2 3.86Å; P145-F149 VanDerWaalsContact O-CD2 3.28Å; P145-F149 WeakPolarHBondContact O-CD2 3.34Å; P145-F149 PolarHBondContact O-N 3.24Å; P145-F149 VanDerWaalsContact O-N 3.14Å; P145-D177 HydrophobicContact CB-CB 4.02Å; P145-D177 HydrophobicContact CG-CB 3.97Å; P145-A178 HydrophobicContact CB-CB 3.96Å
146A98.6Very high97.2Very high27 Ų2761.5 Ų61.522%0.22330%0.303CS..Hα-helixtrans-53.5-34.2-179.500000113.6I138 R140 D144 H150I138-A146 HydrophobicContact CD1-CB 4.3Å; R140-A146 HydrophobicContact CB-CB 3.94Å; R140-A146 HydrophobicContact CG-CB 3.98Å; D144-A146 PolarHBondContact O-N 2.79Å; D144-A146 WeakPolarHBondContact OD1-CB 3.5Å; D144-A146 PolarHBondContact OD1-N 2.86Å; A146-H150 VanDerWaalsContact O-CB 3.27Å; A146-H150 WeakPolarHBondContact O-CB 3.26Å; A146-H150 PolarHBondContact O-N 3.02Å
147L98.5Very high97.4Very high0 Ų058.3 Ų58.30%029%0.294CS..Hα-helixtrans-67.1-38.3177.2-175.759000112.1V107 F133 I138 K142 P145 H150 A151V107-L147 HydrophobicContact CB-CD2 4.1Å; V107-L147 HydrophobicContact CB-CG 4.19Å; V107-L147 HydrophobicContact CG1-CG 4.25Å; F133-L147 HydrophobicContact CB-CD1 4.06Å; I138-L147 HydrophobicContact CD1-CB 4.18Å; I138-L147 HydrophobicContact CD1-CD1 4.08Å; I138-L147 HydrophobicContact CG1-CD1 4.49Å; K142-L147 HydrophobicContact CG-CD2 4.41Å; P145-L147 PolarHBondContact O-N 3.31Å; P145-L147 VanDerWaalsContact O-N 3.12Å; L147-H150 PolarHBondContact O-N 3.37Å; L147-A151 WeakPolarHBondContact O-CB 3.26Å; L147-A151 PolarHBondContact O-N 3.1Å
148M98.8Very high97.6Very high0 Ų057.5 Ų57.50%029%0.289CS..Hα-helixtrans-66.2-46.1176.5-55.7-55.215900110.8F8 V107 K142 P145 H150 A151 A152 V159 L164 S174 A178 M180F8-M148 HydrophobicContact CD2-SD 4.02Å; V107-M148 HydrophobicContact CB-CE 4.35Å; V107-M148 HydrophobicContact CB-SD 4.37Å; V107-M148 HydrophobicContact CG1-SD 4.34Å; V107-M148 HydrophobicContact CG2-CE 3.86Å; V107-M148 HydrophobicContact CG2-SD 3.9Å; K142-M148 HydrophobicContact CD-CE 4.25Å; K142-M148 HydrophobicContact CG-CE 4.17Å; P145-M148 WeakPolarHBondContact O-CB 3.49Å; P145-M148 PolarHBondContact O-N 2.83Å; M148-H150 VanDerWaalsContact C-N 3.31Å; M148-H150 PolarHBondContact O-N 3.04Å; M148-A151 PolarHBondContact O-N 3.01Å; M148-A152 WeakPolarHBondContact O-CB 3.34Å; M148-A152 PolarHBondContact O-N 3.38Å; M148-V159 HydrophobicContact CB-CG2 4.25Å; M148-L164 HydrophobicContact CE-CD1 3.94Å; M148-L164 HydrophobicContact CE-CD2 3.72Å; M148-L164 HydrophobicContact CE-CG 4.5Å; M148-L164 HydrophobicContact SD-CD1 4.11Å; M148-L164 HydrophobicContact SD-CD2 4.25Å; M148-S174 WeakPolarHBondContact CE-OG 3.47Å; M148-A178 HydrophobicContact CB-CB 3.71Å; M148-A178 HydrophobicContact CG-CB 4.08Å; M148-M180 HydrophobicContact CB-SD 3.96Å; M148-M180 HydrophobicContact CG-SD 3.95Å; M148-M180 HydrophobicContact SD-SD 4.04Å
149F98.8Very high97.7Very high96 Ų9656 Ų5642%0.42128%0.282SS..Hα-helixtrans-63.1-38.3175.9-61.5-52.4000112.4P145 K153 V159 A178P145-F149 HydrophobicContact CB-CD2 4.23Å; P145-F149 HydrophobicContact CB-CE2 3.68Å; P145-F149 HydrophobicContact CB-CZ 4.26Å; P145-F149 HydrophobicContact CG-CE2 3.86Å; P145-F149 VanDerWaalsContact O-CD2 3.28Å; P145-F149 WeakPolarHBondContact O-CD2 3.34Å; P145-F149 PolarHBondContact O-N 3.24Å; P145-F149 VanDerWaalsContact O-N 3.14Å; F149-K153 VanDerWaalsContact O-CB 3.31Å; F149-K153 WeakPolarHBondContact O-CB 3.36Å; F149-K153 PolarHBondContact O-N 2.88Å; F149-V159 HydrophobicContact CD1-CB 4.32Å; F149-V159 HydrophobicContact CD1-CG1 3.85Å; F149-V159 HydrophobicContact CD1-CG2 4.28Å; F149-V159 HydrophobicContact CE1-CG1 3.74Å; F149-V159 HydrophobicContact CE1-CG2 4.48Å; F149-A178 HydrophobicContact CE1-CB 4.18Å; F149-A178 HydrophobicContact CZ-CB 4.19Å
150H98.6Very high97.8Very high66 Ų6657 Ų5731%0.30629%0.287SS..Hα-helixtrans-62-50.3176.2175.472.5000111.6F133 I138 A146 L147 M148 K153 A154F133-H150 AromaticContact CD1-CD2 3.7Å; F133-H150 AromaticContact CD1-NE2 3.69Å; I138-H150 HydrophobicContact CD1-CB 4.01Å; I138-H150 HydrophobicContact CG2-CB 4.37Å; A146-H150 VanDerWaalsContact O-CB 3.27Å; A146-H150 WeakPolarHBondContact O-CB 3.26Å; A146-H150 PolarHBondContact O-N 3.02Å; L147-H150 PolarHBondContact O-N 3.37Å; M148-H150 VanDerWaalsContact C-N 3.31Å; M148-H150 PolarHBondContact O-N 3.04Å; H150-K153 PolarHBondContact O-N 3.26Å; H150-A154 WeakPolarHBondContact O-CB 3.48Å; H150-A154 PolarHBondContact O-N 3.27Å
151A98.6Very high97.8Very high0 Ų052.9 Ų52.90%027%0.274CS..Hα-helixtrans-61.4-46.7177.400000111.8F8 V107 F133 L147 M148 K153 A154 M155F8-A151 HydrophobicContact CD2-CB 4.17Å; F8-A151 HydrophobicContact CE2-CB 3.55Å; F8-A151 HydrophobicContact CZ-CB 4.06Å; V107-A151 HydrophobicContact CG1-CB 3.61Å; F133-A151 HydrophobicContact CB-CB 4.3Å; F133-A151 HydrophobicContact CD2-CB 3.39Å; F133-A151 HydrophobicContact CE2-CB 3.75Å; F133-A151 HydrophobicContact CG-CB 3.82Å; F133-A151 HydrophobicContact CZ-CB 4.47Å; L147-A151 WeakPolarHBondContact O-CB 3.26Å; L147-A151 PolarHBondContact O-N 3.1Å; M148-A151 PolarHBondContact O-N 3.01Å; A151-K153 VanDerWaalsContact C-N 3.34Å; A151-K153 PolarHBondContact O-N 3.19Å; A151-A154 CarbonylContact O-C 3.57Å; A151-A154 PolarHBondContact O-N 3.43Å; A151-A154 VanDerWaalsContact O-N 3.14Å; A151-M155 WeakPolarHBondContact O-CB 3.41Å; A151-M155 WeakPolarHBondContact O-CG 3.29Å; A151-M155 PolarHBondContact O-N 3.37Å
152A98.6Very high98Very high4 Ų449.7 Ų49.73%0.03326%0.263CS..Hα-helixtrans-59-43.7177.700000112.4F8 M148 M155 N156 V157 V159F8-A152 HydrophobicContact CE2-CB 4.44Å; F8-A152 HydrophobicContact CZ-CB 3.99Å; M148-A152 WeakPolarHBondContact O-CB 3.34Å; M148-A152 PolarHBondContact O-N 3.38Å; A152-M155 CarbonylContact O-C 3.56Å; A152-M155 PolarHBondContact O-N 2.98Å; A152-N156 PolarHBondContact O-N 3.26Å; A152-V157 HydrophobicContact CB-CG2 4.02Å; A152-V157 PolarHBondContact O-N 3.27Å; A152-V159 HydrophobicContact CB-CB 3.8Å; A152-V159 HydrophobicContact CB-CG2 4.24Å
153K98.4Very high98.2Very high178 Ų17849.3 Ų49.377%0.77426%0.261SS*.Hα-helixtrans-61.7-44.6174.6-177.3179.8178.5-179.20112F149 H150 A151 M155 N156F149-K153 VanDerWaalsContact O-CB 3.31Å; F149-K153 WeakPolarHBondContact O-CB 3.36Å; F149-K153 PolarHBondContact O-N 2.88Å; H150-K153 PolarHBondContact O-N 3.26Å; A151-K153 VanDerWaalsContact C-N 3.34Å; A151-K153 PolarHBondContact O-N 3.19Å; K153-M155 PolarHBondContact O-N 3.19Å; K153-N156 PolarHBondContact O-N 2.89Å; K153-N156 VanDerWaalsContact O-N 3.15Å
154A98.3Very high98.3Very high44 Ų4446.1 Ų46.136%0.36424%0.24SC..Hα-helixtrans-70.9-20.2179.100000113.6K131 F133 H150 A151K131-A154 PolarHBondContact NZ-O 2.93Å; F133-A154 HydrophobicContact CE1-CB 3.41Å; F133-A154 VanDerWaalsContact CE1-CB 3.41Å; F133-A154 HydrophobicContact CZ-CB 3.51Å; H150-A154 WeakPolarHBondContact O-CB 3.48Å; H150-A154 PolarHBondContact O-N 3.27Å; A151-A154 CarbonylContact O-C 3.57Å; A151-A154 PolarHBondContact O-N 3.43Å; A151-A154 VanDerWaalsContact O-N 3.14Å
155M97.9Very high98.3Very high28 Ų2843.3 Ų43.314%0.13823%0.225CC..Hα-helixtrans-91.2-9.9171.3-71.8-170.370.800113.4A6 F8 P103 C105 K131 F133 A151 A152 K153 V157A6-M155 HydrophobicContact CB-CE 3.43Å; A6-M155 VanDerWaalsContact CB-CE 3.43Å; A6-M155 HydrophobicContact CB-SD 4.08Å; F8-M155 HydrophobicContact CD1-SD 4.44Å; F8-M155 HydrophobicContact CE1-SD 3.75Å; F8-M155 HydrophobicContact CZ-SD 4.25Å; P103-M155 HydrophobicContact CB-CE 3.45Å; P103-M155 VanDerWaalsContact CB-CE 3.45Å; C105-M155 HydrophobicContact CB-SD 3.55Å; C105-M155 VanDerWaalsContact CB-SD 3.55Å; K131-M155 HydrophobicContact CD-CG 4.02Å; F133-M155 HydrophobicContact CE2-CG 4.3Å; F133-M155 HydrophobicContact CZ-CG 4.48Å; A151-M155 WeakPolarHBondContact O-CB 3.41Å; A151-M155 WeakPolarHBondContact O-CG 3.29Å; A151-M155 PolarHBondContact O-N 3.37Å; A152-M155 CarbonylContact O-C 3.56Å; A152-M155 PolarHBondContact O-N 2.98Å; K153-M155 PolarHBondContact O-N 3.19Å; M155-V157 HydrophobicContact CB-CG1 4.24Å; M155-V157 HydrophobicContact CB-CG2 3.82Å
156N97.8Very high98.3Very high152 Ų15242 Ų4281%0.81322%0.216SC*.THydrogen-bonded Turntrans55.548.7-174.1-170.861.5000112.6A152 K153A152-N156 PolarHBondContact O-N 3.26Å; K153-N156 PolarHBondContact O-N 2.89Å; K153-N156 VanDerWaalsContact O-N 3.15Å
157V98.1Very high98.2Very high27 Ų2741.3 Ų41.316%0.16421%0.209CC..SBendtrans-126.2157178.6-62.70000110.6E5 A6 F8 A152 M155 C162E5-V157 HydrophobicContact CB-CB 3.83Å; E5-V157 HydrophobicContact CB-CG1 3.78Å; E5-V157 WeakPolarHBondContact OE2-CA 3.27Å; E5-V157 VanDerWaalsContact OE2-CB 3.26Å; E5-V157 WeakPolarHBondContact OE2-CB 3.5Å; A6-V157 HydrophobicContact CB-CG1 4.45Å; A6-V157 HydrophobicContact CB-CG2 4.37Å; F8-V157 HydrophobicContact CZ-CG2 4.48Å; A152-V157 HydrophobicContact CB-CG2 4.02Å; A152-V157 PolarHBondContact O-N 3.27Å; M155-V157 HydrophobicContact CB-CG1 4.24Å; M155-V157 HydrophobicContact CB-CG2 3.82Å; V157-C162 WeakPolarHBondContact CG2-SG 3.28Å
158N97.9Very high97.9Very high70 Ų7043 Ų4337%0.37422%0.221SC..  trans-78.6121.3166.6-1740.6000109.6E5 E160 N161 C162E5-N158 PolarHBondContact OE2-N 3Å; N158-E160 PolarHBondContact O-N 3.03Å; N158-E160 PolarHBondContact OD1-N 3.4Å; N158-N161 HydrophobicContact CB-CB 4.4Å; N158-N161 WeakPolarHBondContact O-CA 3.44Å; N158-N161 PolarHBondContact O-N 3.21Å; N158-C162 PolarHBondContact O-SG 2.93Å
159V98.4Very high97.7Very high14 Ų1447.3 Ų47.39%0.08525%0.247CC..G310 helixtrans-56.5-34.1178.9680000112.8M148 F149 A152 N161 C162 A178 M180M148-V159 HydrophobicContact CB-CG2 4.25Å; F149-V159 HydrophobicContact CD1-CB 4.32Å; F149-V159 HydrophobicContact CD1-CG1 3.85Å; F149-V159 HydrophobicContact CD1-CG2 4.28Å; F149-V159 HydrophobicContact CE1-CG1 3.74Å; F149-V159 HydrophobicContact CE1-CG2 4.48Å; A152-V159 HydrophobicContact CB-CB 3.8Å; A152-V159 HydrophobicContact CB-CG2 4.24Å; V159-N161 PolarHBondContact O-N 3.3Å; V159-C162 WeakPolarHBondContact O-CB 2.96Å; V159-C162 PolarHBondContact O-N 3.43Å; V159-A178 HydrophobicContact CG2-CB 3.98Å; V159-M180 HydrophobicContact CG2-CG 3.77Å; V159-M180 HydrophobicContact CG2-SD 3.95Å; V159-M180 WeakPolarHBondContact O-CG 3.2Å
160E97.6Very high97.5Very high129 Ų12944.3 Ų44.360%0.60324%0.24SC*.G310 helixtrans-69.4-19.2177.8-63.1-178.7154.300113.1N158N158-E160 PolarHBondContact O-N 3.03Å; N158-E160 PolarHBondContact OD1-N 3.4Å
161N97.5Very high97.4Very high45 Ų4541.2 Ų41.224%0.24123%0.226CC..G310 helixtrans-96.911.8173.6-65.5-26.2000112.1I4 E5 N158 V159I4-N161 CarbonylContact C-O 3.5Å; I4-N161 VanDerWaalsContact CA-O 3.3Å; I4-N161 WeakPolarHBondContact CA-O 3.27Å; E5-N161 HydrophobicContact CB-CB 4.23Å; E5-N161 HydrophobicContact CG-CB 3.79Å; E5-N161 PolarHBondContact N-O 3.21Å; E5-N161 PolarHBondContact OE1-ND2 3.08Å; N158-N161 HydrophobicContact CB-CB 4.4Å; N158-N161 WeakPolarHBondContact O-CA 3.44Å; N158-N161 PolarHBondContact O-N 3.21Å; V159-N161 PolarHBondContact O-N 3.3Å
162C98.4Very high97.3Very high1 Ų141.2 Ų41.21%0.00723%0.226CC..EExtended strand (participates in β ladder)trans-107.9157.6176.7-60.50000110.6A6 F8 V157 N158 V159 M180A6-C162 WeakPolarHBondContact O-CA 3.43Å; F8-C162 HydrophobicContact CD1-CB 4.23Å; F8-C162 HydrophobicContact CE1-CB 3.93Å; F8-C162 HydrophobicContact CZ-CB 4.31Å; V157-C162 WeakPolarHBondContact CG2-SG 3.28Å; N158-C162 PolarHBondContact O-SG 2.93Å; V159-C162 WeakPolarHBondContact O-CB 2.96Å; V159-C162 PolarHBondContact O-N 3.43Å; C162-M180 HydrophobicContact CB-CE 3.57Å
163I98.4Very high97.3Very high0 Ų044.7 Ų44.70%024%0.241CC..EExtended strand (participates in β ladder)trans-114.7148.2172.367.2172000110.2I4 A6 V7 F8 E181 F183 W212 W217 I219I4-I163 HydrophobicContact CD1-CG2 3.66Å; I4-I163 HydrophobicContact CG1-CG2 4.06Å; I4-I163 HydrophobicContact CG2-CG1 4.31Å; I4-I163 HydrophobicContact CG2-CG2 4.18Å; A6-I163 PolarHBondContact O-N 3.26Å; A6-I163 VanDerWaalsContact O-N 3.14Å; V7-I163 HydrophobicContact CB-CD1 4.42Å; V7-I163 HydrophobicContact CB-CG1 4.13Å; V7-I163 HydrophobicContact CG1-CD1 3.93Å; V7-I163 HydrophobicContact CG1-CG1 3.84Å; V7-I163 HydrophobicContact CG2-CD1 3.94Å; V7-I163 HydrophobicContact CG2-CG1 3.97Å; F8-I163 WeakPolarHBondContact CB-O 3.12Å; F8-I163 PolarHBondContact N-O 3.35Å; I163-E181 CarbonylContact C-O 3.53Å; I163-E181 VanDerWaalsContact CA-O 3.29Å; I163-E181 WeakPolarHBondContact CA-O 3.18Å; I163-E181 HydrophobicContact CG2-CB 4.14Å; I163-F183 HydrophobicContact CB-CD2 4.32Å; I163-F183 HydrophobicContact CB-CE2 4.23Å; I163-F183 HydrophobicContact CD1-CD2 4.22Å; I163-F183 HydrophobicContact CD1-CE2 4.1Å; I163-F183 HydrophobicContact CG2-CE2 4.26Å; I163-W212 HydrophobicContact CD1-CD2 4.33Å; I163-W212 VanDerWaalsContact CD1-CE2 3.46Å; I163-W212 HydrophobicContact CD1-CZ2 3.61Å; I163-W212 VanDerWaalsContact CD1-NE1 3.31Å; I163-W217 HydrophobicContact CG2-CE3 4.42Å; I163-W217 HydrophobicContact CG2-CH2 4.46Å; I163-W217 HydrophobicContact CG2-CZ3 3.98Å; I163-I219 HydrophobicContact CD1-CD1 3.72Å
164L98.9Very high97.3Very high0 Ų036.2 Ų36.20%021%0.205CC..EExtended strand (participates in β ladder)trans-112.7132.8174.2176.664.9000109.8F8 V107 M148 D166 G171 M180 E181 V182 F183F8-L164 HydrophobicContact CB-CD1 3.95Å; F8-L164 CarbonylContact O-C 3.54Å; F8-L164 WeakPolarHBondContact O-CA 3.42Å; V107-L164 HydrophobicContact CG2-CD1 3.78Å; M148-L164 HydrophobicContact CE-CD1 3.94Å; M148-L164 HydrophobicContact CE-CD2 3.72Å; M148-L164 HydrophobicContact CE-CG 4.5Å; M148-L164 HydrophobicContact SD-CD1 4.11Å; M148-L164 HydrophobicContact SD-CD2 4.25Å; L164-D166 HydrophobicContact CD1-CB 4.44Å; L164-D166 HydrophobicContact CD2-CB 4.31Å; L164-D166 HydrophobicContact CG-CB 4.13Å; L164-G171 WeakPolarHBondContact CD2-O 3.37Å; L164-M180 HydrophobicContact CB-CE 3.97Å; L164-M180 HydrophobicContact CB-SD 4.13Å; L164-E181 PolarHBondContact N-O 3.26Å; L164-V182 HydrophobicContact CB-CG2 4.43Å; L164-V182 CarbonylContact O-C 3.54Å; L164-V182 WeakPolarHBondContact O-CA 3.24Å; L164-F183 PolarHBondContact O-N 3.43Å
165V98.8Very high97.3Very high0 Ų034.1 Ų34.10%019%0.187CC..EExtended strand (participates in β ladder)trans-111.9119.7168.5-173.20000107.9V7 F8 F9 D10 T14 F183 F202 L205 L208 W212V7-V165 HydrophobicContact CG1-CG2 4.25Å; F8-V165 PolarHBondContact O-N 3.41Å; F9-V165 HydrophobicContact CD1-CB 3.61Å; F9-V165 HydrophobicContact CD1-CG1 4.02Å; F9-V165 HydrophobicContact CD1-CG2 3.95Å; F9-V165 HydrophobicContact CE1-CB 3.8Å; F9-V165 HydrophobicContact CE1-CG1 4.08Å; F9-V165 HydrophobicContact CE1-CG2 3.65Å; F9-V165 HydrophobicContact CG-CB 4.48Å; F9-V165 HydrophobicContact CZ-CG2 4.29Å; D10-V165 PolarHBondContact N-O 2.9Å; T14-V165 HydrophobicContact CG2-CG1 3.99Å; V165-F183 WeakPolarHBondContact CA-O 3.28Å; V165-F183 HydrophobicContact CG2-CB 4.18Å; V165-F202 HydrophobicContact CG1-CE1 4.18Å; V165-F202 HydrophobicContact CG1-CZ 3.79Å; V165-L205 HydrophobicContact CG1-CD2 4.41Å; V165-L208 HydrophobicContact CG1-CD1 4.02Å; V165-L208 HydrophobicContact CG2-CD1 4.1Å; V165-W212 HydrophobicContact CG2-CZ2 4.36Å
166D97.9Very high97.4Very high0 Ų033.9 Ų33.90%019%0.186CC..EExtended strand (participates in β ladder)trans-153.8141.2-173.2-155.7-66.5000110.4D10 K142 L164 S168 G171 F183 Y184 F185D10-D166 HydrophobicContact CB-CB 4.28Å; D10-D166 WeakPolarHBondContact CB-OD2 3.47Å; K142-D166 IonicContact NZ-OD2 2.77Å; K142-D166 PolarHBondContact NZ-OD2 3.44Å; L164-D166 HydrophobicContact CD1-CB 4.44Å; L164-D166 HydrophobicContact CD2-CB 4.31Å; L164-D166 HydrophobicContact CG-CB 4.13Å; D166-S168 WeakPolarHBondContact OD1-CA 3.36Å; D166-S168 WeakPolarHBondContact OD1-CB 3.47Å; D166-S168 PolarHBondContact OD1-N 3.08Å; D166-S168 PolarHBondContact OD1-OG 2.77Å; D166-G171 VanDerWaalsContact OD2-CA 3.28Å; D166-G171 WeakPolarHBondContact OD2-CA 3.29Å; D166-F183 PolarHBondContact N-O 2.91Å; D166-F183 VanDerWaalsContact N-O 3.13Å; D166-Y184 CarbonylContact O-C 3.56Å; D166-Y184 WeakPolarHBondContact O-CA 3.37Å; D166-Y184 WeakPolarHBondContact O-CD2 3.37Å; D166-F185 PolarHBondContact O-N 3.1Å
167D95.5Very high97.4Very high13 Ų1330.8 Ų30.87%0.0717%0.17CC..SBendtrans-92.7-9.2178.672.5-71.8000113.3D12 T14 Y184 F185 N191D12-D167 VanDerWaalsContact O-OD1 3.07Å; T14-D167 PolarHBondContact OG1-N 3.36Å; T14-D167 PolarHBondContact OG1-OD1 3.05Å; D167-Y184 VanDerWaalsContact C-CE2 3.4Å; D167-Y184 WeakPolarHBondContact O-CE2 3.33Å; D167-Y184 PolarHBondContact O-OH 2.88Å; D167-F185 VanDerWaalsContact CA-O 3.29Å; D167-F185 WeakPolarHBondContact CA-O 3.49Å; D167-F185 HydrophobicContact CB-CB 4.05Å; D167-F185 HydrophobicContact CB-CD1 4Å; D167-F185 HydrophobicContact CB-CG 4.48Å; D167-F185 VanDerWaalsContact CB-O 3.32Å; D167-F185 WeakPolarHBondContact CB-O 3.04Å; D167-N191 PolarHBondContact O-ND2 3.01Å; D167-N191 VanDerWaalsContact O-ND2 3.09Å
168S93.6Very high97.4Very high36 Ų3629.7 Ų29.725%0.25216%0.164SC..SBendtrans-102146.3-173.779.50000112.9D166 A170 G171 A172D166-S168 WeakPolarHBondContact OD1-CA 3.36Å; D166-S168 WeakPolarHBondContact OD1-CB 3.47Å; D166-S168 PolarHBondContact OD1-N 3.08Å; D166-S168 PolarHBondContact OD1-OG 2.77Å; S168-A170 VanDerWaalsContact C-N 3.26Å; S168-A170 PolarHBondContact O-N 3.1Å; S168-G171 PolarHBondContact O-N 3.11Å; S168-G171 PolarHBondContact OG-N 2.91Å; S168-A172 WeakPolarHBondContact O-CB 3.45Å; S168-A172 PolarHBondContact O-N 2.65Å
169V93.7Very high97.5Very high90 Ų9027.2 Ų27.255%0.54515%0.154SC..Hα-helixtrans-62.7-37.4173.11770000110.8A172 Q173 I194V169-A172 PolarHBondContact O-N 2.9Å; V169-Q173 WeakPolarHBondContact O-CB 3.45Å; V169-Q173 PolarHBondContact O-N 3.47Å; V169-I194 HydrophobicContact CG2-CD1 4.3Å
170A94Very high97.5Very high34 Ų3426.5 Ų26.528%0.28115%0.15SC..Hα-helixtrans-62.8-44.2177.700000111.5K142 P143 S168 Q173 S174K142-A170 HydrophobicContact CB-CB 4.28Å; P143-A170 VanDerWaalsContact CA-O 3.26Å; P143-A170 WeakPolarHBondContact CA-O 3.22Å; P143-A170 HydrophobicContact CB-CB 4.49Å; P143-A170 WeakPolarHBondContact CB-O 3.48Å; S168-A170 VanDerWaalsContact C-N 3.26Å; S168-A170 PolarHBondContact O-N 3.1Å; A170-Q173 PolarHBondContact O-N 3.43Å; A170-S174 WeakPolarHBondContact O-CB 3.44Å; A170-S174 PolarHBondContact O-N 3.13Å
171G97Very high97.5Very high0 Ų022 Ų220%013%0.129CC..Hα-helixtrans-68.9-43.3177.400000113.3L164 D166 S168 Q173 S174 G175L164-G171 WeakPolarHBondContact CD2-O 3.37Å; D166-G171 VanDerWaalsContact OD2-CA 3.28Å; D166-G171 WeakPolarHBondContact OD2-CA 3.29Å; S168-G171 PolarHBondContact O-N 3.11Å; S168-G171 PolarHBondContact OG-N 2.91Å; G171-Q173 VanDerWaalsContact C-N 3.28Å; G171-Q173 PolarHBondContact O-N 2.92Å; G171-S174 WeakPolarHBondContact O-CB 3.47Å; G171-S174 PolarHBondContact O-N 3.02Å; G171-S174 VanDerWaalsContact O-N 3.12Å; G171-G175 PolarHBondContact O-N 3.4Å
172A97.7Very high97.6Very high0 Ų019.9 Ų19.90%012%0.118CC..Hα-helixtrans-56.2-44.1172.500000112S168 V169 G175 I176 V182 Y184 I194S168-A172 WeakPolarHBondContact O-CB 3.45Å; S168-A172 PolarHBondContact O-N 2.65Å; V169-A172 PolarHBondContact O-N 2.9Å; A172-G175 PolarHBondContact O-N 2.95Å; A172-I176 VanDerWaalsContact O-CG1 3.25Å; A172-I176 WeakPolarHBondContact O-CG1 3.16Å; A172-I176 PolarHBondContact O-N 3.39Å; A172-V182 HydrophobicContact CB-CG1 3.94Å; A172-Y184 HydrophobicContact CB-CD2 4.1Å; A172-I194 HydrophobicContact CB-CD1 3.38Å
173Q97.9Very high97.6Very high77 Ų7719.9 Ų19.936%0.3612%0.118SC..Hα-helixtrans-63.2-43175.8-172.160.150.300112.2P143 V169 A170 G171 G175 I176 D177P143-Q173 HydrophobicContact CB-CB 3.91Å; P143-Q173 HydrophobicContact CB-CG 3.93Å; V169-Q173 WeakPolarHBondContact O-CB 3.45Å; V169-Q173 PolarHBondContact O-N 3.47Å; A170-Q173 PolarHBondContact O-N 3.43Å; G171-Q173 VanDerWaalsContact C-N 3.28Å; G171-Q173 PolarHBondContact O-N 2.92Å; Q173-G175 VanDerWaalsContact C-N 3.32Å; Q173-G175 PolarHBondContact O-N 3.22Å; Q173-I176 PolarHBondContact O-N 3.42Å; Q173-D177 PolarHBondContact NE2-OD1 3.43Å; Q173-D177 PolarHBondContact NE2-OD2 3.06Å; Q173-D177 WeakPolarHBondContact O-CB 3.39Å; Q173-D177 PolarHBondContact O-N 3.41Å
174S98.5Very high97.6Very high0 Ų019.9 Ų19.90%012%0.118CC..Hα-helixtrans-58-42.7175.7-172.70000112.2P143 D144 M148 A170 G171 A178P143-S174 VanDerWaalsContact O-CA 3.26Å; P143-S174 WeakPolarHBondContact O-CA 3.42Å; P143-S174 WeakPolarHBondContact O-CB 3.46Å; D144-S174 PolarHBondContact O-OG 2.93Å; M148-S174 WeakPolarHBondContact CE-OG 3.47Å; A170-S174 WeakPolarHBondContact O-CB 3.44Å; A170-S174 PolarHBondContact O-N 3.13Å; G171-S174 WeakPolarHBondContact O-CB 3.47Å; G171-S174 PolarHBondContact O-N 3.02Å; G171-S174 VanDerWaalsContact O-N 3.12Å; S174-A178 VanDerWaalsContact O-CB 3.3Å; S174-A178 WeakPolarHBondContact O-CB 3.34Å; S174-A178 PolarHBondContact O-N 3.44Å
175G98.8Very high97.5Very high0 Ų020.5 Ų20.50%012%0.12CC..Hα-helixtrans-67.1-42.1175.400000113.3G171 A172 Q173 A178 G179 M180G171-G175 PolarHBondContact O-N 3.4Å; A172-G175 PolarHBondContact O-N 2.95Å; Q173-G175 VanDerWaalsContact C-N 3.32Å; Q173-G175 PolarHBondContact O-N 3.22Å; G175-A178 CarbonylContact O-C 3.56Å; G175-A178 PolarHBondContact O-N 2.96Å; G175-G179 PolarHBondContact O-N 3.16Å; G175-G179 VanDerWaalsContact O-N 3.17Å; G175-M180 WeakPolarHBondContact O-CB 3.41Å; G175-M180 PolarHBondContact O-N 3.43Å
176I98.6Very high97.3Very high23 Ų2321.2 Ų21.212%0.11813%0.125CC..Hα-helixtrans-59.3-49.1175.6-69.8163.3000110.5A172 Q173 A178 G179 V182 H196 V199A172-I176 VanDerWaalsContact O-CG1 3.25Å; A172-I176 WeakPolarHBondContact O-CG1 3.16Å; A172-I176 PolarHBondContact O-N 3.39Å; Q173-I176 PolarHBondContact O-N 3.42Å; I176-A178 PolarHBondContact O-N 2.91Å; I176-G179 PolarHBondContact O-N 3.18Å; I176-V182 HydrophobicContact CG1-CG2 4.29Å; I176-H196 HydrophobicContact CD1-CB 4.2Å; I176-V199 HydrophobicContact CD1-CG2 3.7Å; I176-V199 HydrophobicContact CG1-CG2 4.05Å
177D98.6Very high97Very high87 Ų8723.5 Ų23.547%0.46514%0.144SC..Hα-helixtrans-69-23.2-178.4-68.4-22.5000112.4P145 Q173 G179P145-D177 HydrophobicContact CB-CB 4.02Å; P145-D177 HydrophobicContact CG-CB 3.97Å; Q173-D177 PolarHBondContact NE2-OD1 3.43Å; Q173-D177 PolarHBondContact NE2-OD2 3.06Å; Q173-D177 WeakPolarHBondContact O-CB 3.39Å; Q173-D177 PolarHBondContact O-N 3.41Å; D177-G179 VanDerWaalsContact C-N 3.33Å
178A98.6Very high96.5Very high5 Ų524.4 Ų24.44%0.04115%0.149CC..THydrogen-bonded Turntrans-83.4-4.317100000113.9P145 M148 F149 V159 S174 G175 I176 M180P145-A178 HydrophobicContact CB-CB 3.96Å; M148-A178 HydrophobicContact CB-CB 3.71Å; M148-A178 HydrophobicContact CG-CB 4.08Å; F149-A178 HydrophobicContact CE1-CB 4.18Å; F149-A178 HydrophobicContact CZ-CB 4.19Å; V159-A178 HydrophobicContact CG2-CB 3.98Å; S174-A178 VanDerWaalsContact O-CB 3.3Å; S174-A178 WeakPolarHBondContact O-CB 3.34Å; S174-A178 PolarHBondContact O-N 3.44Å; G175-A178 CarbonylContact O-C 3.56Å; G175-A178 PolarHBondContact O-N 2.96Å; I176-A178 PolarHBondContact O-N 2.91Å; A178-M180 HydrophobicContact CB-CG 4.07Å; A178-M180 HydrophobicContact CB-SD 4.24Å
179G98.3Very high95.9Very high17 Ų1728.5 Ų28.518%0.17518%0.175CC..THydrogen-bonded Turntrans82.18.5-179.600000115.1G175 I176 D177 K198G175-G179 PolarHBondContact O-N 3.16Å; G175-G179 VanDerWaalsContact O-N 3.17Å; I176-G179 PolarHBondContact O-N 3.18Å; D177-G179 VanDerWaalsContact C-N 3.33Å; G179-K198 WeakPolarHBondContact O-CE 3.44Å; G179-K198 PolarHBondContact O-NZ 2.92Å
180M98.6Very high95.3Very high0 Ų030.5 Ų30.50%018%0.178CC..  trans-75.5160.5-176.6-56.4176.580.400112.4F8 M148 V159 C162 L164 G175 A178F8-M180 HydrophobicContact CB-CE 4.13Å; F8-M180 HydrophobicContact CD1-CE 4.27Å; F8-M180 HydrophobicContact CD2-CE 3.69Å; F8-M180 HydrophobicContact CE2-CE 4.09Å; F8-M180 HydrophobicContact CG-CE 3.79Å; M148-M180 HydrophobicContact CB-SD 3.96Å; M148-M180 HydrophobicContact CG-SD 3.95Å; M148-M180 HydrophobicContact SD-SD 4.04Å; V159-M180 HydrophobicContact CG2-CG 3.77Å; V159-M180 HydrophobicContact CG2-SD 3.95Å; V159-M180 WeakPolarHBondContact O-CG 3.2Å; C162-M180 HydrophobicContact CB-CE 3.57Å; L164-M180 HydrophobicContact CB-CE 3.97Å; L164-M180 HydrophobicContact CB-SD 4.13Å; G175-M180 WeakPolarHBondContact O-CB 3.41Å; G175-M180 PolarHBondContact O-N 3.43Å; A178-M180 HydrophobicContact CB-CG 4.07Å; A178-M180 HydrophobicContact CB-SD 4.24Å
181E98.3Very high94.8Very high35 Ų3530.3 Ų30.316%0.16417%0.172CC..EExtended strand (participates in β ladder)trans-82.7130.5159.5-65.2-71.3128.800108.6I163 L164 K198 R215 W217I163-E181 CarbonylContact C-O 3.53Å; I163-E181 VanDerWaalsContact CA-O 3.29Å; I163-E181 WeakPolarHBondContact CA-O 3.18Å; I163-E181 HydrophobicContact CG2-CB 4.14Å; L164-E181 PolarHBondContact N-O 3.26Å; E181-K198 IonicContact OE1-NZ 3.99Å; E181-K198 PolarHBondContact OE1-NZ 3.29Å; E181-K198 VanDerWaalsContact OE1-NZ 3.09Å; E181-R215 IonicContact OE2-CZ 3.98Å; E181-R215 IonicContact OE2-NH1 3.46Å; E181-R215 PolarHBondContact OE2-NH1 3.46Å; E181-W217 HydrophobicContact CB-CH2 3.92Å; E181-W217 HydrophobicContact CG-CH2 3.72Å; E181-W217 HydrophobicContact CG-CZ2 4.22Å
182V98.7Very high94.4Very high0 Ų038.5 Ų38.50%021%0.208CC..EExtended strand (participates in β ladder)trans-112.9126.5-172.4176.90000109.7L164 A172 I176 K198 V199 T200L164-V182 HydrophobicContact CB-CG2 4.43Å; L164-V182 CarbonylContact O-C 3.54Å; L164-V182 WeakPolarHBondContact O-CA 3.24Å; A172-V182 HydrophobicContact CB-CG1 3.94Å; I176-V182 HydrophobicContact CG1-CG2 4.29Å; V182-K198 PolarHBondContact N-O 3.49Å; V182-V199 HydrophobicContact CB-CG2 4.07Å; V182-V199 HydrophobicContact CG1-CG2 4.32Å; V182-V199 CarbonylContact O-C 3.58Å; V182-V199 WeakPolarHBondContact O-CA 3.38Å; V182-T200 PolarHBondContact O-N 2.94Å
183F98.6Very high94Very high1 Ų142.9 Ų42.90%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-100.3104.7167.7-69.8-90.6000107.7I163 L164 V165 D166 T200 F202 L208 L211 W212 W217I163-F183 HydrophobicContact CB-CD2 4.32Å; I163-F183 HydrophobicContact CB-CE2 4.23Å; I163-F183 HydrophobicContact CD1-CD2 4.22Å; I163-F183 HydrophobicContact CD1-CE2 4.1Å; I163-F183 HydrophobicContact CG2-CE2 4.26Å; L164-F183 PolarHBondContact O-N 3.43Å; V165-F183 WeakPolarHBondContact CA-O 3.28Å; V165-F183 HydrophobicContact CG2-CB 4.18Å; D166-F183 PolarHBondContact N-O 2.91Å; D166-F183 VanDerWaalsContact N-O 3.13Å; F183-T200 CarbonylContact C-O 3.53Å; F183-T200 WeakPolarHBondContact CA-O 3.35Å; F183-T200 HydrophobicContact CD1-CG2 4.21Å; F183-T200 HydrophobicContact CE1-CG2 4.07Å; F183-F202 HydrophobicContact CB-CD1 4.06Å; F183-F202 HydrophobicContact CB-CE1 3.68Å; F183-L208 HydrophobicContact CB-CD2 3.75Å; F183-L208 HydrophobicContact CD1-CD2 3.48Å; F183-L208 VanDerWaalsContact CD1-CD2 3.48Å; F183-L208 HydrophobicContact CE1-CD2 4.31Å; F183-L208 HydrophobicContact CG-CD2 3.68Å; F183-L211 HydrophobicContact CD1-CD1 4.38Å; F183-L211 HydrophobicContact CE1-CB 3.92Å; F183-L211 HydrophobicContact CE1-CD1 4.48Å; F183-W212 AromaticContact CD1-NE1 4Å; F183-W212 AromaticContact CD2-NE1 3.65Å; F183-W212 AromaticContact CE1-CD1 3.7Å; F183-W212 AromaticContact CE1-NE1 3.72Å; F183-W212 AromaticContact CE2-CD1 3.61Å; F183-W212 AromaticContact CE2-NE1 3.35Å; F183-W212 AromaticContact CG-NE1 3.98Å; F183-W212 AromaticContact CZ-CD1 3.26Å; F183-W212 AromaticContact CZ-NE1 3.41Å; F183-W217 AromaticContact CE2-CZ3 3.86Å; F183-W217 HydrophobicContact CE2-CZ3 3.86Å; F183-W217 AromaticContact CZ-CZ3 3.81Å; F183-W217 HydrophobicContact CZ-CZ3 3.81Å
184Y98.2Very high93.9Very high0 Ų041 Ų410%023%0.228CC..EExtended strand (participates in β ladder)trans-88.5110-176.5-179.4-123.2000110.4D166 D167 A172 C186 N191 K192 I194 T200 T201 F202D166-Y184 CarbonylContact O-C 3.56Å; D166-Y184 WeakPolarHBondContact O-CA 3.37Å; D166-Y184 WeakPolarHBondContact O-CD2 3.37Å; D167-Y184 VanDerWaalsContact C-CE2 3.4Å; D167-Y184 WeakPolarHBondContact O-CE2 3.33Å; D167-Y184 PolarHBondContact O-OH 2.88Å; A172-Y184 HydrophobicContact CB-CD2 4.1Å; Y184-C186 HydrophobicContact CD1-CB 3.88Å; Y184-C186 HydrophobicContact CE1-CB 3.71Å; Y184-C186 PolarHBondContact O-N 3.29Å; Y184-C186 VanDerWaalsContact O-N 3.13Å; Y184-N191 WeakPolarHBondContact OH-CB 3.17Å; Y184-N191 PolarHBondContact OH-ND2 2.97Å; Y184-K192 WeakPolarHBondContact CE1-O 3.49Å; Y184-I194 HydrophobicContact CD1-CD1 4.02Å; Y184-I194 HydrophobicContact CD1-CG1 4.07Å; Y184-I194 HydrophobicContact CD2-CD1 3.89Å; Y184-I194 HydrophobicContact CE1-CD1 4.04Å; Y184-I194 HydrophobicContact CE1-CG1 4Å; Y184-I194 HydrophobicContact CE2-CD1 3.9Å; Y184-I194 HydrophobicContact CG-CD1 3.96Å; Y184-I194 HydrophobicContact CG-CG1 4.48Å; Y184-T200 PolarHBondContact N-O 3.43Å; Y184-T201 HydrophobicContact CD1-CG2 4.17Å; Y184-T201 WeakPolarHBondContact O-CA 3.44Å; Y184-F202 WeakPolarHBondContact O-CD1 3.46Å; Y184-F202 PolarHBondContact O-N 2.99Å
185F97.5Very high93.7Very high12 Ų1248 Ų485%0.05327%0.271CS..EExtended strand (participates in β ladder)trans-80.390-178.4-175.4-134000110.6G13 I90 D166 D167 A187 F202 T203 L205G13-F185 WeakPolarHBondContact O-CD1 3.37Å; G13-F185 WeakPolarHBondContact O-CE1 3.46Å; I90-F185 HydrophobicContact CD1-CE1 4.48Å; I90-F185 HydrophobicContact CG2-CE1 3.67Å; I90-F185 HydrophobicContact CG2-CZ 3.67Å; D166-F185 PolarHBondContact O-N 3.1Å; D167-F185 VanDerWaalsContact CA-O 3.29Å; D167-F185 WeakPolarHBondContact CA-O 3.49Å; D167-F185 HydrophobicContact CB-CB 4.05Å; D167-F185 HydrophobicContact CB-CD1 4Å; D167-F185 HydrophobicContact CB-CG 4.48Å; D167-F185 VanDerWaalsContact CB-O 3.32Å; D167-F185 WeakPolarHBondContact CB-O 3.04Å; F185-A187 HydrophobicContact CD2-CB 4.19Å; F185-A187 HydrophobicContact CE1-CB 3.96Å; F185-A187 HydrophobicContact CE2-CB 3.6Å; F185-A187 HydrophobicContact CZ-CB 3.46Å; F185-A187 VanDerWaalsContact CZ-CB 3.46Å; F185-A187 PolarHBondContact O-N 2.94Å; F185-F202 HydrophobicContact CB-CE1 3.82Å; F185-F202 HydrophobicContact CB-CE2 4.28Å; F185-F202 HydrophobicContact CB-CZ 3.58Å; F185-F202 HydrophobicContact CD2-CD2 4.01Å; F185-F202 HydrophobicContact CD2-CE1 4.39Å; F185-F202 AromaticContact CD2-CE2 3.4Å; F185-F202 HydrophobicContact CD2-CE2 3.4Å; F185-F202 VanDerWaalsContact CD2-CE2 3.4Å; F185-F202 AromaticContact CD2-CZ 3.63Å; F185-F202 HydrophobicContact CD2-CZ 3.63Å; F185-F202 HydrophobicContact CE2-CE2 4.09Å; F185-F202 HydrophobicContact CG-CE2 4.17Å; F185-F202 AromaticContact CG-CZ 3.92Å; F185-F202 HydrophobicContact CG-CZ 3.92Å; F185-T203 VanDerWaalsContact CE2-O 3.27Å; F185-T203 WeakPolarHBondContact CE2-O 3.09Å; F185-L205 HydrophobicContact CE2-CG 4.48Å; F185-L205 HydrophobicContact CZ-CG 4.49Å
186C95Very high93.7Very high15 Ų1551.1 Ų51.110%0.10129%0.285CS..  trans-99.651.4-175.3-165.40000111Y184 N191 T201 F202Y184-C186 HydrophobicContact CD1-CB 3.88Å; Y184-C186 HydrophobicContact CE1-CB 3.71Å; Y184-C186 PolarHBondContact O-N 3.29Å; Y184-C186 VanDerWaalsContact O-N 3.13Å; C186-N191 VanDerWaalsContact SG-CB 3.58Å; C186-N191 PolarHBondContact SG-O 2.86Å; C186-N191 VanDerWaalsContact SG-O 3.37Å; C186-T201 HydrophobicContact CB-CG2 3.47Å; C186-T201 VanDerWaalsContact CB-CG2 3.47Å; C186-F202 PolarHBondContact N-O 3.39Å
187A92Very high93.6Very high49 Ų4955.5 Ų55.541%0.40532%0.315SS..  trans-73.3-32.1178.600000113F185 P189F185-A187 HydrophobicContact CD2-CB 4.19Å; F185-A187 HydrophobicContact CE1-CB 3.96Å; F185-A187 HydrophobicContact CE2-CB 3.6Å; F185-A187 HydrophobicContact CZ-CB 3.46Å; F185-A187 VanDerWaalsContact CZ-CB 3.46Å; F185-A187 PolarHBondContact O-N 2.94Å; A187-P189 WeakPolarHBondContact O-CD 3.36Å
188D85.1Confident93.6Very high31 Ų3154.3 Ų54.317%0.16631%0.306CS..SBendtrans-71.9121.7174.7-174.3-19.2000110.3K47 H190 N191K47-D188 IonicContact NZ-OD2 3.57Å; K47-D188 PolarHBondContact NZ-OD2 3.32Å; D188-H190 PolarHBondContact O-N 3.42Å; D188-H190 VanDerWaalsContact O-N 3.1Å; D188-H190 WeakPolarHBondContact OD1-CB 3.29Å; D188-H190 IonicContact OD1-CD2 2.62Å; D188-H190 PolarHBondContact OD1-CD2 3.42Å; D188-H190 VanDerWaalsContact OD1-CD2 3.27Å; D188-H190 IonicContact OD1-CG 3.54Å; D188-H190 PolarHBondContact OD1-N 3.4Å; D188-N191 HydrophobicContact CB-CB 4.43Å; D188-N191 WeakPolarHBondContact O-CB 3.46Å; D188-N191 PolarHBondContact O-N 3.27Å
189P80.9Confident93.6Very high123 Ų12354.8 Ų54.880%0.79931%0.308SS*.THydrogen-bonded Turntrans-58.8-20.4176.5-23.634.2000114.9A187 N191A187-P189 WeakPolarHBondContact O-CD 3.36Å; P189-N191 VanDerWaalsContact C-N 3.34Å
190H80.8Confident93.5Very high131 Ų13155.1 Ų55.161%0.60631%0.307SS*.THydrogen-bonded Turntrans-78.8-18.9175.9-62.9-61.5000113D188D188-H190 PolarHBondContact O-N 3.42Å; D188-H190 VanDerWaalsContact O-N 3.1Å; D188-H190 WeakPolarHBondContact OD1-CB 3.29Å; D188-H190 IonicContact OD1-CD2 2.62Å; D188-H190 PolarHBondContact OD1-CD2 3.42Å; D188-H190 VanDerWaalsContact OD1-CD2 3.27Å; D188-H190 IonicContact OD1-CG 3.54Å; D188-H190 PolarHBondContact OD1-N 3.4Å
191N83.6Confident93.5Very high30 Ų3057.7 Ų57.716%0.1632%0.323CS..SBendtrans-73.4133174.1-73.9-0.5000109.6K47 D167 Y184 C186 D188 P189K47-N191 PolarHBondContact NZ-OD1 3.13Å; D167-N191 PolarHBondContact O-ND2 3.01Å; D167-N191 VanDerWaalsContact O-ND2 3.09Å; Y184-N191 WeakPolarHBondContact OH-CB 3.17Å; Y184-N191 PolarHBondContact OH-ND2 2.97Å; C186-N191 VanDerWaalsContact SG-CB 3.58Å; C186-N191 PolarHBondContact SG-O 2.86Å; C186-N191 VanDerWaalsContact SG-O 3.37Å; D188-N191 HydrophobicContact CB-CB 4.43Å; D188-N191 WeakPolarHBondContact O-CB 3.46Å; D188-N191 PolarHBondContact O-N 3.27Å; P189-N191 VanDerWaalsContact C-N 3.34Å
192K87.6Confident93.5Very high173 Ų17356.4 Ų56.475%0.75232%0.317SS*.PPolyproline II helixtrans-89.7136.9175.6-68.9-179.4-177.8174.10109.6Y184Y184-K192 WeakPolarHBondContact CE1-O 3.49Å
193P90.5Very high93.4Very high92 Ų9259.3 Ų59.360%0.59733%0.334SS*.PPolyproline II helixtrans-55.8143.5171.7-24.533.5000111.8
194I94.7Very high93.4Very high37 Ų3763.7 Ų63.719%0.1936%0.355CS..PPolyproline II helixtrans-98.7121177.4-60.8171.9000108.4V169 A172 Y184 H196 V199V169-I194 HydrophobicContact CG2-CD1 4.3Å; A172-I194 HydrophobicContact CB-CD1 3.38Å; Y184-I194 HydrophobicContact CD1-CD1 4.02Å; Y184-I194 HydrophobicContact CD1-CG1 4.07Å; Y184-I194 HydrophobicContact CD2-CD1 3.89Å; Y184-I194 HydrophobicContact CE1-CD1 4.04Å; Y184-I194 HydrophobicContact CE1-CG1 4Å; Y184-I194 HydrophobicContact CE2-CD1 3.9Å; Y184-I194 HydrophobicContact CG-CD1 3.96Å; Y184-I194 HydrophobicContact CG-CG1 4.48Å; I194-H196 HydrophobicContact CG2-CB 4.27Å; I194-H196 PolarHBondContact O-N 2.62Å; I194-V199 HydrophobicContact CB-CG1 4.17Å; I194-V199 HydrophobicContact CG2-CG1 4.44Å; I194-V199 HydrophobicContact CG2-CG2 4.09Å
195V95.3Very high93.4Very high146 Ų14663.7 Ų63.789%0.88536%0.355SS*.  trans-90.898.3177.3-176.90000109.1
196H97.9Very high93.4Very high67 Ų6767.1 Ų67.131%0.3138%0.38SS..  trans-153142.4177.1-173.8-93.2000111.2I176 I194 K198 V199I176-H196 HydrophobicContact CD1-CB 4.2Å; I194-H196 HydrophobicContact CG2-CB 4.27Å; I194-H196 PolarHBondContact O-N 2.62Å; H196-K198 PolarHBondContact ND1-N 2.75Å; H196-K198 VanDerWaalsContact ND1-N 3.15Å; H196-K198 PolarHBondContact O-N 3.07Å; H196-K198 VanDerWaalsContact O-N 3.14Å; H196-V199 HydrophobicContact CB-CB 4.14Å; H196-V199 HydrophobicContact CB-CG2 3.76Å; H196-V199 PolarHBondContact O-N 3.02Å
197P97.3Very high93.5Very high114 Ų11469.7 Ų69.774%0.7439%0.391SS*.THydrogen-bonded Turntrans-58.6-28.8-176.6-27.135.5000115.5
198K97.2Very high93.9Very high62 Ų6267.3 Ų67.327%0.2737%0.371SS..THydrogen-bonded Turntrans-90-1.1177.9-63.4-177.4145-75.90114G179 E181 V182 H196G179-K198 WeakPolarHBondContact O-CE 3.44Å; G179-K198 PolarHBondContact O-NZ 2.92Å; E181-K198 IonicContact OE1-NZ 3.99Å; E181-K198 PolarHBondContact OE1-NZ 3.29Å; E181-K198 VanDerWaalsContact OE1-NZ 3.09Å; V182-K198 PolarHBondContact N-O 3.49Å; H196-K198 PolarHBondContact ND1-N 2.75Å; H196-K198 VanDerWaalsContact ND1-N 3.15Å; H196-K198 PolarHBondContact O-N 3.07Å; H196-K198 VanDerWaalsContact O-N 3.14Å
199V98.4Very high94.5Very high16 Ų1667.4 Ų67.410%0.09737%0.374CS..EExtended strand (participates in β ladder)trans-106.2127.5-176.6178.80000110.2I176 V182 I194 H196I176-V199 HydrophobicContact CD1-CG2 3.7Å; I176-V199 HydrophobicContact CG1-CG2 4.05Å; V182-V199 HydrophobicContact CB-CG2 4.07Å; V182-V199 HydrophobicContact CG1-CG2 4.32Å; V182-V199 CarbonylContact O-C 3.58Å; V182-V199 WeakPolarHBondContact O-CA 3.38Å; I194-V199 HydrophobicContact CB-CG1 4.17Å; I194-V199 HydrophobicContact CG2-CG1 4.44Å; I194-V199 HydrophobicContact CG2-CG2 4.09Å; H196-V199 HydrophobicContact CB-CB 4.14Å; H196-V199 HydrophobicContact CB-CG2 3.76Å; H196-V199 PolarHBondContact O-N 3.02Å
200T98.1Very high95.3Very high24 Ų2468.9 Ų68.915%0.14737%0.37CS..EExtended strand (participates in β ladder)trans-111.9113.4168.3-54.70000108.2V182 F183 Y184 L211 R215V182-T200 PolarHBondContact O-N 2.94Å; F183-T200 CarbonylContact C-O 3.53Å; F183-T200 WeakPolarHBondContact CA-O 3.35Å; F183-T200 HydrophobicContact CD1-CG2 4.21Å; F183-T200 HydrophobicContact CE1-CG2 4.07Å; Y184-T200 PolarHBondContact N-O 3.43Å; T200-L211 HydrophobicContact CG2-CD1 4.31Å; T200-L211 HydrophobicContact CG2-CD2 4.23Å; T200-R215 PolarHBondContact OG1-NH2 3Å
201T97.7Very high96.1Very high54 Ų5465 Ų6533%0.33135%0.353SS..EExtended strand (participates in β ladder)trans-82.3138176.6-56.20000110.8Y184 C186Y184-T201 HydrophobicContact CD1-CG2 4.17Å; Y184-T201 WeakPolarHBondContact O-CA 3.44Å; C186-T201 HydrophobicContact CB-CG2 3.47Å; C186-T201 VanDerWaalsContact CB-CG2 3.47Å
202F97.8Very high96.8Very high8 Ų863.6 Ų63.64%0.03535%0.346CS..EExtended strand (participates in β ladder)trans-149.9167.3177.876.4-76.7000110.5V165 F183 Y184 F185 C186 H204 L205 L208 L211V165-F202 HydrophobicContact CG1-CE1 4.18Å; V165-F202 HydrophobicContact CG1-CZ 3.79Å; F183-F202 HydrophobicContact CB-CD1 4.06Å; F183-F202 HydrophobicContact CB-CE1 3.68Å; Y184-F202 WeakPolarHBondContact O-CD1 3.46Å; Y184-F202 PolarHBondContact O-N 2.99Å; F185-F202 HydrophobicContact CB-CE1 3.82Å; F185-F202 HydrophobicContact CB-CE2 4.28Å; F185-F202 HydrophobicContact CB-CZ 3.58Å; F185-F202 HydrophobicContact CD2-CD2 4.01Å; F185-F202 HydrophobicContact CD2-CE1 4.39Å; F185-F202 AromaticContact CD2-CE2 3.4Å; F185-F202 HydrophobicContact CD2-CE2 3.4Å; F185-F202 VanDerWaalsContact CD2-CE2 3.4Å; F185-F202 AromaticContact CD2-CZ 3.63Å; F185-F202 HydrophobicContact CD2-CZ 3.63Å; F185-F202 HydrophobicContact CE2-CE2 4.09Å; F185-F202 HydrophobicContact CG-CE2 4.17Å; F185-F202 AromaticContact CG-CZ 3.92Å; F185-F202 HydrophobicContact CG-CZ 3.92Å; C186-F202 PolarHBondContact N-O 3.39Å; F202-H204 VanDerWaalsContact CD2-O 3.24Å; F202-H204 WeakPolarHBondContact CD2-O 3.34Å; F202-L205 HydrophobicContact CE2-CD2 4.01Å; F202-L205 HydrophobicContact CZ-CD2 4.11Å; F202-L208 HydrophobicContact CD1-CD2 4.16Å; F202-L208 HydrophobicContact CD2-CD2 4.32Å; F202-L208 HydrophobicContact CD2-CG 4.28Å; F202-L208 HydrophobicContact CE1-CD2 3.89Å; F202-L208 HydrophobicContact CE2-CD1 4.03Å; F202-L208 HydrophobicContact CE2-CD2 4.06Å; F202-L208 HydrophobicContact CE2-CG 3.83Å; F202-L208 HydrophobicContact CG-CD2 4.37Å; F202-L208 HydrophobicContact CZ-CD1 3.87Å; F202-L208 HydrophobicContact CZ-CD2 3.83Å; F202-L208 HydrophobicContact CZ-CG 3.96Å; F202-L211 HydrophobicContact CB-CD1 3.73Å; F202-L211 HydrophobicContact CG-CD1 4.24Å
203T97Very high97.2Very high61 Ų6161.4 Ų61.437%0.37434%0.336SS..SBendtrans-128-9.9-171.265.20000114.6F185F185-T203 VanDerWaalsContact CE2-O 3.27Å; F185-T203 WeakPolarHBondContact CE2-O 3.09Å
204H97.9Very high97.4Very high92 Ų9261.2 Ų61.243%0.42634%0.342SS..  trans-136.9134.1173-61.4-80.1000110.8F202 S206 Q207F202-H204 VanDerWaalsContact CD2-O 3.24Å; F202-H204 WeakPolarHBondContact CD2-O 3.34Å; H204-S206 PolarHBondContact O-N 2.88Å; H204-S206 VanDerWaalsContact O-N 3.1Å; H204-Q207 HydrophobicContact CB-CG 4.2Å; H204-Q207 VanDerWaalsContact O-CB 3.29Å; H204-Q207 WeakPolarHBondContact O-CB 3.47Å; H204-Q207 WeakPolarHBondContact O-CG 3.39Å; H204-Q207 PolarHBondContact O-N 3.44Å; H204-Q207 PolarHBondContact O-OE1 3.2Å
205L98.5Very high97.4Very high0 Ų064.8 Ų64.80%035%0.353CS..G310 helixtrans-56.4-28.7178-70.1179.3000113.1I90 A93 L96 V165 F185 F202 Q207 L208I90-L205 HydrophobicContact CB-CD1 4.16Å; I90-L205 HydrophobicContact CG2-CD1 3.65Å; I90-L205 HydrophobicContact CG2-CG 4.15Å; A93-L205 HydrophobicContact CB-CD1 3.68Å; L96-L205 HydrophobicContact CD2-CB 4.01Å; L96-L205 HydrophobicContact CD2-CD2 4.12Å; L96-L205 HydrophobicContact CD2-CG 4.49Å; V165-L205 HydrophobicContact CG1-CD2 4.41Å; F185-L205 HydrophobicContact CE2-CG 4.48Å; F185-L205 HydrophobicContact CZ-CG 4.49Å; F202-L205 HydrophobicContact CE2-CD2 4.01Å; F202-L205 HydrophobicContact CZ-CD2 4.11Å; L205-Q207 PolarHBondContact O-N 2.9Å; L205-L208 HydrophobicContact CD2-CD1 3.96Å; L205-L208 WeakPolarHBondContact O-CB 3.24Å; L205-L208 PolarHBondContact O-N 2.64Å
206S97.8Very high97.4Very high85 Ų8559.7 Ų59.759%0.59433%0.33SS*.G310 helixtrans-64-15.7175.256.70000114.6H204 P209H204-S206 PolarHBondContact O-N 2.88Å; H204-S206 VanDerWaalsContact O-N 3.1Å; S206-P209 WeakPolarHBondContact O-CD 3.31Å
207Q98.4Very high97.3Very high68 Ų6858.1 Ų58.132%0.31832%0.322SS..G310 helixtrans-77.9-24.3176.5-63.9172.9-47.100112.5H204 L205 E210 L211H204-Q207 HydrophobicContact CB-CG 4.2Å; H204-Q207 VanDerWaalsContact O-CB 3.29Å; H204-Q207 WeakPolarHBondContact O-CB 3.47Å; H204-Q207 WeakPolarHBondContact O-CG 3.39Å; H204-Q207 PolarHBondContact O-N 3.44Å; H204-Q207 PolarHBondContact O-OE1 3.2Å; L205-Q207 PolarHBondContact O-N 2.9Å; Q207-E210 PolarHBondContact O-N 3.01Å; Q207-L211 HydrophobicContact CB-CD1 4.08Å; Q207-L211 HydrophobicContact CB-CG 4.5Å; Q207-L211 WeakPolarHBondContact O-CG 3.45Å; Q207-L211 PolarHBondContact O-N 3.48Å
208L98.6Very high97.1Very high0 Ų058.7 Ų58.70%032%0.318CS..Hα-helixtrans-57.6-44.3-171.5-74173.1000114.2L96 V165 F183 F202 L205 E210 L211 W212L96-L208 HydrophobicContact CD1-CB 4.22Å; L96-L208 HydrophobicContact CD2-CD1 3.55Å; V165-L208 HydrophobicContact CG1-CD1 4.02Å; V165-L208 HydrophobicContact CG2-CD1 4.1Å; F183-L208 HydrophobicContact CB-CD2 3.75Å; F183-L208 HydrophobicContact CD1-CD2 3.48Å; F183-L208 VanDerWaalsContact CD1-CD2 3.48Å; F183-L208 HydrophobicContact CE1-CD2 4.31Å; F183-L208 HydrophobicContact CG-CD2 3.68Å; F202-L208 HydrophobicContact CD1-CD2 4.16Å; F202-L208 HydrophobicContact CD2-CD2 4.32Å; F202-L208 HydrophobicContact CD2-CG 4.28Å; F202-L208 HydrophobicContact CE1-CD2 3.89Å; F202-L208 HydrophobicContact CE2-CD1 4.03Å; F202-L208 HydrophobicContact CE2-CD2 4.06Å; F202-L208 HydrophobicContact CE2-CG 3.83Å; F202-L208 HydrophobicContact CG-CD2 4.37Å; F202-L208 HydrophobicContact CZ-CD1 3.87Å; F202-L208 HydrophobicContact CZ-CD2 3.83Å; F202-L208 HydrophobicContact CZ-CG 3.96Å; L205-L208 HydrophobicContact CD2-CD1 3.96Å; L205-L208 WeakPolarHBondContact O-CB 3.24Å; L205-L208 PolarHBondContact O-N 2.64Å; L208-E210 VanDerWaalsContact C-N 3.31Å; L208-E210 PolarHBondContact O-N 2.67Å; L208-L211 HydrophobicContact CD2-CD1 4.47Å; L208-L211 PolarHBondContact O-N 3.43Å; L208-W212 HydrophobicContact CB-CD2 4.22Å; L208-W212 HydrophobicContact CB-CE3 4.37Å; L208-W212 HydrophobicContact CB-CH2 3.89Å; L208-W212 HydrophobicContact CB-CZ2 3.7Å; L208-W212 HydrophobicContact CB-CZ3 4.21Å; L208-W212 HydrophobicContact CD1-CH2 4.25Å; L208-W212 HydrophobicContact CD1-CZ2 3.92Å; L208-W212 HydrophobicContact CD2-CZ2 4.06Å; L208-W212 HydrophobicContact CG-CZ2 4.11Å; L208-W212 WeakPolarHBondContact O-CB 3.1Å; L208-W212 VanDerWaalsContact O-CD2 3.25Å; L208-W212 PolarHBondContact O-N 3.41Å
209P98Very high97Very high33 Ų3355.9 Ų55.921%0.21431%0.306CS..Hα-helixtrans-57.5-40.5178.2-25.835.5000113.6L96 S206 K213 T220L96-P209 HydrophobicContact CD1-CG 4.06Å; S206-P209 WeakPolarHBondContact O-CD 3.31Å; P209-K213 WeakPolarHBondContact O-CB 3.49Å; P209-K213 PolarHBondContact O-N 2.73Å; P209-T220 HydrophobicContact CB-CG2 4.24Å; P209-T220 HydrophobicContact CG-CG2 4.15Å
210E97.9Very high96.9Very high153 Ų15355.5 Ų55.572%0.71530%0.304SS*.Hα-helixtrans-70.8-41.2177.2-67.1-174.4170.200111.6Q207 L208 W212 K213 A214Q207-E210 PolarHBondContact O-N 3.01Å; L208-E210 VanDerWaalsContact C-N 3.31Å; L208-E210 PolarHBondContact O-N 2.67Å; E210-W212 VanDerWaalsContact C-N 3.34Å; E210-W212 PolarHBondContact O-N 3.14Å; E210-K213 PolarHBondContact O-N 2.91Å; E210-A214 WeakPolarHBondContact O-CB 3.44Å; E210-A214 PolarHBondContact O-N 3.1Å
211L98.1Very high96.4Very high49 Ų4960.6 Ų60.626%0.25735%0.348SS..Hα-helixtrans-63.2-39.3176.7-66.9171.6000112F183 T200 F202 Q207 L208 A214 R215F183-L211 HydrophobicContact CD1-CD1 4.38Å; F183-L211 HydrophobicContact CE1-CB 3.92Å; F183-L211 HydrophobicContact CE1-CD1 4.48Å; T200-L211 HydrophobicContact CG2-CD1 4.31Å; T200-L211 HydrophobicContact CG2-CD2 4.23Å; F202-L211 HydrophobicContact CB-CD1 3.73Å; F202-L211 HydrophobicContact CG-CD1 4.24Å; Q207-L211 HydrophobicContact CB-CD1 4.08Å; Q207-L211 HydrophobicContact CB-CG 4.5Å; Q207-L211 WeakPolarHBondContact O-CG 3.45Å; Q207-L211 PolarHBondContact O-N 3.48Å; L208-L211 HydrophobicContact CD2-CD1 4.47Å; L208-L211 PolarHBondContact O-N 3.43Å; L211-A214 PolarHBondContact O-N 3.49Å; L211-R215 WeakPolarHBondContact O-CG 2.85Å; L211-R215 PolarHBondContact O-N 3.01Å
212W97.5Very high96.3Very high1 Ų160.9 Ų60.90%0.00435%0.349CS..Hα-helixtrans-68.2-43175.2-61.5-26.6000112V7 L96 I100 I163 V165 F183 L208 E210 A214 R215 G216 W217 I219 T220V7-W212 HydrophobicContact CG1-CH2 4.44Å; V7-W212 HydrophobicContact CG1-CZ2 4.35Å; L96-W212 HydrophobicContact CD1-CH2 3.96Å; L96-W212 HydrophobicContact CD1-CZ3 3.93Å; I100-W212 HydrophobicContact CD1-CH2 3.87Å; I100-W212 HydrophobicContact CD1-CZ3 4.13Å; I100-W212 HydrophobicContact CG1-CH2 4.24Å; I100-W212 HydrophobicContact CG1-CZ3 3.97Å; I163-W212 HydrophobicContact CD1-CD2 4.33Å; I163-W212 VanDerWaalsContact CD1-CE2 3.46Å; I163-W212 HydrophobicContact CD1-CZ2 3.61Å; I163-W212 VanDerWaalsContact CD1-NE1 3.31Å; V165-W212 HydrophobicContact CG2-CZ2 4.36Å; F183-W212 AromaticContact CD1-NE1 4Å; F183-W212 AromaticContact CD2-NE1 3.65Å; F183-W212 AromaticContact CE1-CD1 3.7Å; F183-W212 AromaticContact CE1-NE1 3.72Å; F183-W212 AromaticContact CE2-CD1 3.61Å; F183-W212 AromaticContact CE2-NE1 3.35Å; F183-W212 AromaticContact CG-NE1 3.98Å; F183-W212 AromaticContact CZ-CD1 3.26Å; F183-W212 AromaticContact CZ-NE1 3.41Å; L208-W212 HydrophobicContact CB-CD2 4.22Å; L208-W212 HydrophobicContact CB-CE3 4.37Å; L208-W212 HydrophobicContact CB-CH2 3.89Å; L208-W212 HydrophobicContact CB-CZ2 3.7Å; L208-W212 HydrophobicContact CB-CZ3 4.21Å; L208-W212 HydrophobicContact CD1-CH2 4.25Å; L208-W212 HydrophobicContact CD1-CZ2 3.92Å; L208-W212 HydrophobicContact CD2-CZ2 4.06Å; L208-W212 HydrophobicContact CG-CZ2 4.11Å; L208-W212 WeakPolarHBondContact O-CB 3.1Å; L208-W212 VanDerWaalsContact O-CD2 3.25Å; L208-W212 PolarHBondContact O-N 3.41Å; E210-W212 VanDerWaalsContact C-N 3.34Å; E210-W212 PolarHBondContact O-N 3.14Å; W212-A214 VanDerWaalsContact C-N 3.31Å; W212-A214 PolarHBondContact O-N 3.32Å; W212-R215 CarbonylContact O-C 3.6Å; W212-R215 WeakPolarHBondContact O-CA 3.36Å; W212-R215 WeakPolarHBondContact O-CB 3.35Å; W212-R215 PolarHBondContact O-N 2.93Å; W212-G216 PolarHBondContact O-N 3.33Å; W212-W217 CarbonylContact C-O 3.56Å; W212-W217 PolarHBondContact O-N 3.46Å; W212-I219 HydrophobicContact CB-CD1 4.03Å; W212-I219 HydrophobicContact CB-CG1 4.48Å; W212-I219 HydrophobicContact CD2-CB 4.28Å; W212-I219 HydrophobicContact CD2-CD1 3.79Å; W212-I219 HydrophobicContact CD2-CG2 4.43Å; W212-I219 HydrophobicContact CE3-CB 3.76Å; W212-I219 HydrophobicContact CE3-CD1 4.16Å; W212-I219 HydrophobicContact CE3-CG1 4.48Å; W212-I219 HydrophobicContact CE3-CG2 3.82Å; W212-I219 HydrophobicContact CG-CD1 3.73Å; W212-I219 HydrophobicContact CH2-CG2 4.35Å; W212-I219 HydrophobicContact CZ3-CB 4.24Å; W212-I219 HydrophobicContact CZ3-CG2 3.78Å; W212-T220 HydrophobicContact CE3-CG2 4.01Å; W212-T220 HydrophobicContact CZ3-CG2 3.77Å
213K96.1Very high96.2Very high128 Ų12863.7 Ų63.756%0.55737%0.366SS*.Hα-helixtrans-60.3-38.6173.2-90177.4176.3165.50112.5P209 E210 R215 G216P209-K213 WeakPolarHBondContact O-CB 3.49Å; P209-K213 PolarHBondContact O-N 2.73Å; E210-K213 PolarHBondContact O-N 2.91Å; K213-R215 PolarHBondContact O-N 3.5Å; K213-G216 WeakPolarHBondContact O-CA 3.37Å; K213-G216 PolarHBondContact O-N 3.09Å
214A96Very high96.2Very high87 Ų8763.8 Ų63.872%0.71937%0.365SS*.Hα-helixtrans-63.4-24.7175.700000113E210 L211 W212 G216E210-A214 WeakPolarHBondContact O-CB 3.44Å; E210-A214 PolarHBondContact O-N 3.1Å; L211-A214 PolarHBondContact O-N 3.49Å; W212-A214 VanDerWaalsContact C-N 3.31Å; W212-A214 PolarHBondContact O-N 3.32Å; A214-G216 VanDerWaalsContact C-N 3.32Å
215R94.6Very high96.1Very high112 Ų11262.2 Ų62.242%0.42336%0.362SS..THydrogen-bonded Turntrans-85.7-2.8171.2-61.9-70.6-172.1138.93.2113.2E181 T200 L211 W212 K213 W217E181-R215 IonicContact OE2-CZ 3.98Å; E181-R215 IonicContact OE2-NH1 3.46Å; E181-R215 PolarHBondContact OE2-NH1 3.46Å; T200-R215 PolarHBondContact OG1-NH2 3Å; L211-R215 WeakPolarHBondContact O-CG 2.85Å; L211-R215 PolarHBondContact O-N 3.01Å; W212-R215 CarbonylContact O-C 3.6Å; W212-R215 WeakPolarHBondContact O-CA 3.36Å; W212-R215 WeakPolarHBondContact O-CB 3.35Å; W212-R215 PolarHBondContact O-N 2.93Å; K213-R215 PolarHBondContact O-N 3.5Å; R215-W217 HydrophobicContact CB-CD2 3.62Å; R215-W217 HydrophobicContact CB-CE3 3.72Å; R215-W217 HydrophobicContact CB-CG 4.21Å; R215-W217 HydrophobicContact CB-CH2 3.94Å; R215-W217 HydrophobicContact CB-CZ2 3.89Å; R215-W217 HydrophobicContact CB-CZ3 3.88Å; R215-W217 HydrophobicContact CG-CE3 4.18Å; R215-W217 HydrophobicContact CG-CH2 3.91Å; R215-W217 HydrophobicContact CG-CZ2 4.29Å; R215-W217 HydrophobicContact CG-CZ3 3.87Å
216G95.2Very high95.9Very high39 Ų3966.1 Ų66.140%0.40238%0.384SS..THydrogen-bonded Turntrans76.521.8-176.200000113.7W212 K213 A214W212-G216 PolarHBondContact O-N 3.33Å; K213-G216 WeakPolarHBondContact O-CA 3.37Å; K213-G216 PolarHBondContact O-N 3.09Å; A214-G216 VanDerWaalsContact C-N 3.32Å
217W96.2Very high95.8Very high35 Ų3564.8 Ų64.813%0.13337%0.37CS..  trans-100.8129.8178.4-53.9-32.9000111.4I4 I163 E181 F183 W212 R215 I219I4-W217 HydrophobicContact CD1-CD2 3.99Å; I4-W217 HydrophobicContact CD1-CE3 4.29Å; I4-W217 HydrophobicContact CD1-CG 4.4Å; I4-W217 HydrophobicContact CD1-CZ2 4.31Å; I4-W217 HydrophobicContact CG1-CB 4.19Å; I4-W217 HydrophobicContact CG1-CD2 3.76Å; I4-W217 HydrophobicContact CG1-CE3 4.04Å; I4-W217 HydrophobicContact CG1-CG 3.81Å; I163-W217 HydrophobicContact CG2-CE3 4.42Å; I163-W217 HydrophobicContact CG2-CH2 4.46Å; I163-W217 HydrophobicContact CG2-CZ3 3.98Å; E181-W217 HydrophobicContact CB-CH2 3.92Å; E181-W217 HydrophobicContact CG-CH2 3.72Å; E181-W217 HydrophobicContact CG-CZ2 4.22Å; F183-W217 AromaticContact CE2-CZ3 3.86Å; F183-W217 HydrophobicContact CE2-CZ3 3.86Å; F183-W217 AromaticContact CZ-CZ3 3.81Å; F183-W217 HydrophobicContact CZ-CZ3 3.81Å; W212-W217 CarbonylContact C-O 3.56Å; W212-W217 PolarHBondContact O-N 3.46Å; R215-W217 HydrophobicContact CB-CD2 3.62Å; R215-W217 HydrophobicContact CB-CE3 3.72Å; R215-W217 HydrophobicContact CB-CG 4.21Å; R215-W217 HydrophobicContact CB-CH2 3.94Å; R215-W217 HydrophobicContact CB-CZ2 3.89Å; R215-W217 HydrophobicContact CB-CZ3 3.88Å; R215-W217 HydrophobicContact CG-CE3 4.18Å; R215-W217 HydrophobicContact CG-CH2 3.91Å; R215-W217 HydrophobicContact CG-CZ2 4.29Å; R215-W217 HydrophobicContact CG-CZ3 3.87Å; W217-I219 HydrophobicContact CB-CD1 4.02Å; W217-I219 HydrophobicContact CB-CG1 3.92Å; W217-I219 HydrophobicContact CE3-CD1 4.25Å
218D92.4Very high95.6Very high125 Ų12564.6 Ų64.667%0.66837%0.374SS*.  trans-98.887.6175.7-165.428.7000109.1
219I96Very high95.4Very high3 Ų369.5 Ų69.52%0.01540%0.403CS..  trans-105.2-25.7-175.3-57.5-179000111.1I4 V7 I100 T101 A102 I163 W212 W217I4-I219 HydrophobicContact CB-CD1 4.01Å; I4-I219 HydrophobicContact CB-CG1 4.23Å; I4-I219 HydrophobicContact CG1-CD1 3.82Å; I4-I219 HydrophobicContact CG1-CG1 4.35Å; I4-I219 HydrophobicContact CG2-CD1 4.09Å; V7-I219 HydrophobicContact CG2-CG2 3.6Å; I100-I219 WeakPolarHBondContact CA-O 3.42Å; I100-I219 HydrophobicContact CG1-CG2 4.44Å; I100-I219 HydrophobicContact CG2-CG2 4.06Å; T101-I219 PolarHBondContact N-O 3.38Å; T101-I219 PolarHBondContact OG1-O 3.05Å; A102-I219 HydrophobicContact CB-CG2 4.15Å; I163-I219 HydrophobicContact CD1-CD1 3.72Å; W212-I219 HydrophobicContact CB-CD1 4.03Å; W212-I219 HydrophobicContact CB-CG1 4.48Å; W212-I219 HydrophobicContact CD2-CB 4.28Å; W212-I219 HydrophobicContact CD2-CD1 3.79Å; W212-I219 HydrophobicContact CD2-CG2 4.43Å; W212-I219 HydrophobicContact CE3-CB 3.76Å; W212-I219 HydrophobicContact CE3-CD1 4.16Å; W212-I219 HydrophobicContact CE3-CG1 4.48Å; W212-I219 HydrophobicContact CE3-CG2 3.82Å; W212-I219 HydrophobicContact CG-CD1 3.73Å; W212-I219 HydrophobicContact CH2-CG2 4.35Å; W212-I219 HydrophobicContact CZ3-CB 4.24Å; W212-I219 HydrophobicContact CZ3-CG2 3.78Å; W217-I219 HydrophobicContact CB-CD1 4.02Å; W217-I219 HydrophobicContact CB-CG1 3.92Å; W217-I219 HydrophobicContact CE3-CD1 4.25Å
220T94.5Very high95.2Very high8 Ų872.6 Ų72.65%0.04942%0.419CS..BIsolated β-bridgetrans-116.9152.1-179.9590000110.9A99 I100 P209 W212A99-T220 HydrophobicContact CB-CG2 4.24Å; A99-T220 CarbonylContact O-C 3.55Å; A99-T220 WeakPolarHBondContact O-CA 3.32Å; A99-T220 WeakPolarHBondContact O-CB 3.41Å; I100-T220 HydrophobicContact CG1-CG2 4Å; P209-T220 HydrophobicContact CB-CG2 4.24Å; P209-T220 HydrophobicContact CG-CG2 4.15Å; W212-T220 HydrophobicContact CE3-CG2 4.01Å; W212-T220 HydrophobicContact CZ3-CG2 3.77Å
221A87.7Confident94.9Very high131 Ų13165.3 Ų65.3100%1.08339%0.392SS*.  trans-61.80177.400000114.3A99 T101A99-A221 PolarHBondContact O-N 2.59Å; T101-A221 HydrophobicContact CG2-CB 3.93Å

Retrieved 221 of 221 residues in 254.9 ms (Link to these results)

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