A0A077Z6V6_TRITR Loading...

Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A077Z6V6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 330 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
1M82.2Confident92.9Very high74 Ų7433.2 Ų33.237%0.36519%0.192SC..  01170-72.6-64.7178.800105.6D15 L16 T18 D163 P165M1-D15 VanDerWaalsContact C-OD1 3.27Å; M1-D15 PolarHBondContact N-OD1 3.19Å; M1-D15 CarbonylContact O-C 3.55Å; M1-D15 WeakPolarHBondContact O-CA 3.43Å; M1-L16 PolarHBondContact O-N 3.26Å; M1-T18 HydrophobicContact CB-CG2 3.72Å; M1-T18 HydrophobicContact CG-CG2 3.68Å; M1-T18 WeakPolarHBondContact CG-OG1 3.48Å; M1-D163 HydrophobicContact SD-CB 4.11Å; M1-P165 HydrophobicContact CE-CB 3.82Å; M1-P165 HydrophobicContact CE-CG 3.99Å; M1-P165 HydrophobicContact CG-CG 4.2Å; M1-P165 HydrophobicContact SD-CB 4.42Å; M1-P165 HydrophobicContact SD-CG 4.12Å
2A89.3Confident93.3Very high19 Ų1930.4 Ų30.416%0.15718%0.176CC..EExtended strand (participates in β ladder)trans-112.3142.4-158.200000114.4V13 F14 L162A2-V13 HydrophobicContact CB-CG1 4.21Å; A2-F14 CarbonylContact C-O 3.54Å; A2-F14 WeakPolarHBondContact CA-O 3.4Å; A2-L162 HydrophobicContact CB-CB 4.35Å; A2-L162 HydrophobicContact CB-CD1 3.79Å; A2-L162 WeakPolarHBondContact O-CB 3.37Å; A2-L162 PolarHBondContact O-N 3.11Å
3V95.4Very high93.6Very high0 Ų029.5 Ų29.50%017%0.171CC..EExtended strand (participates in β ladder)trans-123.5127.4169.1179.80000108.4V5 F14 L16 F28 L29 V161V3-V5 HydrophobicContact CG1-CG2 4.14Å; V3-F14 PolarHBondContact N-O 3.21Å; V3-F14 PolarHBondContact O-N 3.02Å; V3-L16 HydrophobicContact CG2-CD1 3.88Å; V3-L16 HydrophobicContact CG2-CG 4.45Å; V3-F28 HydrophobicContact CB-CE1 4.23Å; V3-F28 HydrophobicContact CG1-CE1 4.16Å; V3-F28 HydrophobicContact CG2-CD1 4.4Å; V3-F28 HydrophobicContact CG2-CE1 4.19Å; V3-L29 HydrophobicContact CG2-CD2 3.48Å; V3-L29 VanDerWaalsContact CG2-CD2 3.48Å; V3-V161 HydrophobicContact CG2-CG2 4.39Å
4L95.8Very high93.9Very high30 Ų3027.6 Ų27.616%0.15716%0.16CC..EExtended strand (participates in β ladder)trans-90.1124169.8169.964.7000108.7E6 D11 V13 T159 I160 L162L4-E6 HydrophobicContact CD1-CG 4.47Å; L4-E6 HydrophobicContact CD2-CG 4.25Å; L4-E6 HydrophobicContact CG-CG 4.13Å; L4-D11 HydrophobicContact CD1-CB 3.89Å; L4-V13 HydrophobicContact CD1-CG2 3.86Å; L4-T159 WeakPolarHBondContact O-CA 3.38Å; L4-I160 HydrophobicContact CB-CB 4.27Å; L4-I160 HydrophobicContact CD2-CD1 3.95Å; L4-I160 PolarHBondContact N-O 2.88Å; L4-I160 PolarHBondContact O-N 2.98Å; L4-L162 HydrophobicContact CB-CD1 4.45Å; L4-L162 HydrophobicContact CB-CD2 4.5Å; L4-L162 HydrophobicContact CB-CG 4.48Å
5V96.5Very high94.1Very high3 Ų329.7 Ų29.72%0.01817%0.17CC..EExtended strand (participates in β ladder)trans-112.7102.6175.1-176.40000107.2V3 T7 L12 F14 I156 T159V3-V5 HydrophobicContact CG1-CG2 4.14Å; V5-T7 HydrophobicContact CG1-CG2 4.09Å; V5-L12 HydrophobicContact CB-CB 4.39Å; V5-L12 PolarHBondContact N-O 2.88Å; V5-L12 PolarHBondContact O-N 2.83Å; V5-F14 HydrophobicContact CB-CE2 4.4Å; V5-F14 HydrophobicContact CG2-CD2 3.96Å; V5-F14 HydrophobicContact CG2-CE2 4.07Å; V5-I156 HydrophobicContact CG1-CB 4.36Å; V5-I156 HydrophobicContact CG1-CD1 4.21Å; V5-I156 HydrophobicContact CG1-CG1 3.94Å; V5-I156 HydrophobicContact CG1-CG2 3.69Å; V5-T159 HydrophobicContact CG1-CG2 4.43Å; V5-T159 HydrophobicContact CG2-CG2 4.39Å
6E94.5Very high94.3Very high54 Ų5428.3 Ų28.325%0.25216%0.162SC..EExtended strand (participates in β ladder)trans-80.4121.3174.6-60.5179.5170.800107.9L4 D11 I156 M157 H158 I160L4-E6 HydrophobicContact CD1-CG 4.47Å; L4-E6 HydrophobicContact CD2-CG 4.25Å; L4-E6 HydrophobicContact CG-CG 4.13Å; E6-D11 WeakPolarHBondContact CA-OD1 3.41Å; E6-I156 CarbonylContact O-C 3.5Å; E6-M157 PolarHBondContact O-N 3.15Å; E6-H158 HydrophobicContact CB-CB 4.28Å; E6-H158 PolarHBondContact N-O 3.47Å; E6-H158 PolarHBondContact O-N 3Å; E6-H158 WeakPolarHBondContact OE2-CB 3.49Å; E6-H158 IonicContact OE2-CD2 3.18Å; E6-H158 PolarHBondContact OE2-CD2 3.09Å; E6-H158 VanDerWaalsContact OE2-CD2 3.26Å; E6-H158 IonicContact OE2-CG 3.15Å; E6-I160 WeakPolarHBondContact OE1-CD1 3.33Å
7T94.3Very high94.5Very high11 Ų1129.5 Ų29.57%0.06716%0.164CC..EExtended strand (participates in β ladder)trans-113.9170.3177.979.30000110.9V5 V9 G10 L12 F42 R155V5-T7 HydrophobicContact CG1-CG2 4.09Å; T7-V9 PolarHBondContact O-N 3.3Å; T7-V9 WeakPolarHBondContact OG1-CG2 3.32Å; T7-V9 PolarHBondContact OG1-N 3.16Å; T7-G10 WeakPolarHBondContact CA-O 3.31Å; T7-G10 WeakPolarHBondContact CB-O 3.44Å; T7-G10 PolarHBondContact N-O 2.8Å; T7-G10 PolarHBondContact O-N 3.14Å; T7-G10 PolarHBondContact OG1-N 2.93Å; T7-G10 PolarHBondContact OG1-O 2.94Å; T7-L12 HydrophobicContact CG2-CD1 4.2Å; T7-F42 HydrophobicContact CG2-CE2 3.91Å; T7-F42 HydrophobicContact CG2-CZ 4.47Å; T7-R155 CarbonylContact C-O 3.56Å; T7-R155 WeakPolarHBondContact CA-O 3.35Å; T7-R155 WeakPolarHBondContact CB-O 3.35Å
8T90.8Very high94.5Very high32 Ų3228.9 Ų28.920%0.19616%0.161CC..THydrogen-bonded Turntrans-65.7-19.6176.450.20000113.9E153 V154 R155 M157 V193T8-E153 PolarHBondContact OG1-O 3.07Å; T8-V154 WeakPolarHBondContact OG1-CA 3.34Å; T8-R155 HydrophobicContact CG2-CB 3.96Å; T8-R155 PolarHBondContact N-O 3.48Å; T8-R155 PolarHBondContact OG1-N 3.44Å; T8-R155 VanDerWaalsContact OG1-N 3.11Å; T8-M157 HydrophobicContact CG2-CG 3.88Å; T8-M157 HydrophobicContact CG2-SD 3.64Å; T8-V193 HydrophobicContact CG2-CG1 4.34Å; T8-V193 HydrophobicContact CG2-CG2 3.7Å
9V92.1Very high94.5Very high37 Ų3737.2 Ų37.222%0.22420%0.195CC..THydrogen-bonded Turntrans-107.8-4.3-177.6-62.90000113.5T7 T135 I138 L139 V154T7-V9 PolarHBondContact O-N 3.3Å; T7-V9 WeakPolarHBondContact OG1-CG2 3.32Å; T7-V9 PolarHBondContact OG1-N 3.16Å; V9-T135 HydrophobicContact CG2-CG2 3.92Å; V9-I138 HydrophobicContact CB-CG2 3.94Å; V9-I138 HydrophobicContact CG1-CG2 4.25Å; V9-I138 HydrophobicContact CG2-CG2 4.33Å; V9-L139 HydrophobicContact CG2-CD2 4.27Å; V9-L139 HydrophobicContact CG2-CG 4.46Å; V9-V154 HydrophobicContact CG1-CG1 4.13Å; V9-V154 HydrophobicContact CG1-CG2 4.03Å; V9-V154 HydrophobicContact CG2-CG1 3.7Å
10G94.3Very high94.5Very high23 Ų2338.9 Ų38.924%0.23720%0.202CC..EExtended strand (participates in β ladder)trans147.4-176.2-178.900000113T7T7-G10 WeakPolarHBondContact CA-O 3.31Å; T7-G10 WeakPolarHBondContact CB-O 3.44Å; T7-G10 PolarHBondContact N-O 2.8Å; T7-G10 PolarHBondContact O-N 3.14Å; T7-G10 PolarHBondContact OG1-N 2.93Å; T7-G10 PolarHBondContact OG1-O 2.94Å
11D96.5Very high94.6Very high82 Ų8237.4 Ų37.444%0.43919%0.194SC..EExtended strand (participates in β ladder)trans-101.7146.5-175-64.5-23.4000111.3L4 E6 G132 T135L4-D11 HydrophobicContact CD1-CB 3.89Å; E6-D11 WeakPolarHBondContact CA-OD1 3.41Å; D11-G132 VanDerWaalsContact O-CA 3.32Å; D11-G132 WeakPolarHBondContact O-CA 3.42Å; D11-T135 PolarHBondContact N-OG1 3.31Å; D11-T135 WeakPolarHBondContact O-CB 3.49Å; D11-T135 PolarHBondContact O-OG1 2.8Å
12L97.5Very high95.2Very high0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-129.5125.5174.9-64.6166.7000109.2V5 T7 F14 L129 G132 T135 L136 L139V5-L12 HydrophobicContact CB-CB 4.39Å; V5-L12 PolarHBondContact N-O 2.88Å; V5-L12 PolarHBondContact O-N 2.83Å; T7-L12 HydrophobicContact CG2-CD1 4.2Å; L12-F14 HydrophobicContact CB-CD2 4.33Å; L12-F14 HydrophobicContact CB-CE2 3.58Å; L12-F14 HydrophobicContact CB-CZ 3.96Å; L12-F14 HydrophobicContact CD1-CE2 4.17Å; L12-F14 HydrophobicContact CD1-CZ 4.09Å; L12-F14 HydrophobicContact CG-CE2 4.46Å; L12-F14 HydrophobicContact CG-CZ 4.49Å; L12-L129 HydrophobicContact CB-CD1 3.85Å; L12-L129 HydrophobicContact CD2-CD1 3.63Å; L12-L129 HydrophobicContact CD2-CD2 4.14Å; L12-L129 HydrophobicContact CG-CD1 4.34Å; L12-G132 WeakPolarHBondContact CD2-O 3.24Å; L12-T135 HydrophobicContact CD1-CG2 4.47Å; L12-T135 HydrophobicContact CD2-CG2 4.01Å; L12-T135 HydrophobicContact CG-CG2 3.97Å; L12-L136 HydrophobicContact CD2-CB 4.48Å; L12-L139 HydrophobicContact CD1-CD1 4.13Å
13V97.7Very high95.5Very high19 Ų1940.6 Ų40.612%0.11521%0.205CC..EExtended strand (participates in β ladder)trans-109.2120.4175.4-174.20000109A2 L4 L129 T130 E131A2-V13 HydrophobicContact CB-CG1 4.21Å; L4-V13 HydrophobicContact CD1-CG2 3.86Å; V13-L129 WeakPolarHBondContact O-CD1 3.42Å; V13-T130 PolarHBondContact O-N 2.88Å; V13-T130 PolarHBondContact O-OG1 3.22Å; V13-T130 VanDerWaalsContact O-OG1 3.13Å; V13-E131 HydrophobicContact CB-CB 3.93Å; V13-E131 HydrophobicContact CG2-CB 3.97Å; V13-E131 PolarHBondContact N-O 2.81Å; V13-E131 PolarHBondContact O-N 3.18Å
14F97.8Very high95.5Very high3 Ų340.6 Ų40.61%0.01321%0.205CC..EExtended strand (participates in β ladder)trans-111130.4-179.9-65.4-77.9000111.4A2 V3 V5 L12 L16 L94 V110 E128 L129A2-F14 CarbonylContact C-O 3.54Å; A2-F14 WeakPolarHBondContact CA-O 3.4Å; V3-F14 PolarHBondContact N-O 3.21Å; V3-F14 PolarHBondContact O-N 3.02Å; V5-F14 HydrophobicContact CB-CE2 4.4Å; V5-F14 HydrophobicContact CG2-CD2 3.96Å; V5-F14 HydrophobicContact CG2-CE2 4.07Å; L12-F14 HydrophobicContact CB-CD2 4.33Å; L12-F14 HydrophobicContact CB-CE2 3.58Å; L12-F14 HydrophobicContact CB-CZ 3.96Å; L12-F14 HydrophobicContact CD1-CE2 4.17Å; L12-F14 HydrophobicContact CD1-CZ 4.09Å; L12-F14 HydrophobicContact CG-CE2 4.46Å; L12-F14 HydrophobicContact CG-CZ 4.49Å; F14-L16 HydrophobicContact CB-CD2 4.42Å; F14-L94 HydrophobicContact CB-CD2 4.14Å; F14-L94 HydrophobicContact CD1-CB 4.07Å; F14-L94 HydrophobicContact CD1-CD1 4.38Å; F14-L94 HydrophobicContact CD1-CD2 4.04Å; F14-L94 HydrophobicContact CD1-CG 4.4Å; F14-L94 HydrophobicContact CD2-CD2 4.45Å; F14-L94 HydrophobicContact CE1-CB 4.3Å; F14-L94 HydrophobicContact CE1-CD1 4.14Å; F14-L94 HydrophobicContact CG-CD2 3.96Å; F14-L94 HydrophobicContact CZ-CD1 4.29Å; F14-V110 HydrophobicContact CE1-CG1 4.02Å; F14-V110 HydrophobicContact CE1-CG2 4.14Å; F14-V110 HydrophobicContact CZ-CG1 4.2Å; F14-V110 HydrophobicContact CZ-CG2 3.75Å; F14-E128 CarbonylContact C-O 3.54Å; F14-E128 VanDerWaalsContact CA-O 3.31Å; F14-E128 WeakPolarHBondContact CA-O 3.34Å; F14-L129 HydrophobicContact CD1-CB 4.13Å; F14-L129 HydrophobicContact CD1-CD1 3.9Å; F14-L129 HydrophobicContact CE1-CB 3.96Å; F14-L129 HydrophobicContact CE1-CD1 3.52Å; F14-L129 HydrophobicContact CE1-CG 4.37Å; F14-L129 HydrophobicContact CE2-CD1 4.29Å; F14-L129 HydrophobicContact CG-CD1 4.42Å; F14-L129 HydrophobicContact CZ-CD1 3.74Å
15D97.1Very high95.5Very high58 Ų5839.2 Ų39.231%0.3120%0.197SC..EExtended strand (participates in β ladder)trans-88.5128.5163.8-99-30.5000111M1 G127 E128 T130M1-D15 VanDerWaalsContact C-OD1 3.27Å; M1-D15 PolarHBondContact N-OD1 3.19Å; M1-D15 CarbonylContact O-C 3.55Å; M1-D15 WeakPolarHBondContact O-CA 3.43Å; D15-G127 CarbonylContact O-C 3.51Å; D15-G127 WeakPolarHBondContact O-CA 3.21Å; D15-E128 PolarHBondContact N-O 3.43Å; D15-E128 PolarHBondContact O-N 2.89Å; D15-T130 HydrophobicContact CB-CG2 3.69Å; D15-T130 WeakPolarHBondContact OD2-CG2 3.39Å
16L97.6Very high95.5Very high8 Ų840 Ų404%0.04220%0.203CC..EExtended strand (participates in β ladder)trans-98.8138-177.7-53.7-175000111.6M1 V3 F14 T18 C25 F28 L29 L94 F126M1-L16 PolarHBondContact O-N 3.26Å; V3-L16 HydrophobicContact CG2-CD1 3.88Å; V3-L16 HydrophobicContact CG2-CG 4.45Å; F14-L16 HydrophobicContact CB-CD2 4.42Å; L16-T18 HydrophobicContact CB-CG2 4.07Å; L16-T18 PolarHBondContact O-N 2.89Å; L16-C25 HydrophobicContact CB-CB 4.46Å; L16-F28 HydrophobicContact CD1-CD1 3.89Å; L16-F28 HydrophobicContact CD2-CD1 4.13Å; L16-F28 HydrophobicContact CD2-CE1 4.31Å; L16-L29 HydrophobicContact CD1-CD1 4.07Å; L16-L29 HydrophobicContact CD1-CD2 3.68Å; L16-L29 HydrophobicContact CD1-CG 3.61Å; L16-L94 HydrophobicContact CD2-CD2 4Å; L16-F126 HydrophobicContact CD2-CD2 4Å; L16-F126 HydrophobicContact CD2-CE2 3.95Å
17Y96.5Very high95.6Very high48 Ų4837.4 Ų37.419%0.18819%0.191CC..  trans-78.559.8177.1-58.4-43.6000111.8K19 E20 R21 C25 I86 V125 F126 E128Y17-K19 PolarHBondContact O-N 2.86Å; Y17-K19 VanDerWaalsContact O-N 3.13Å; Y17-E20 VanDerWaalsContact C-OE2 3.28Å; Y17-E20 WeakPolarHBondContact CA-OE2 3.39Å; Y17-E20 WeakPolarHBondContact CB-OE2 3.41Å; Y17-E20 PolarHBondContact O-N 2.72Å; Y17-R21 WeakPolarHBondContact O-CA 3.32Å; Y17-R21 WeakPolarHBondContact O-CB 3.18Å; Y17-R21 PolarHBondContact O-N 3.44Å; Y17-C25 VanDerWaalsContact C-SG 3.53Å; Y17-I86 HydrophobicContact CD2-CD1 3.82Å; Y17-I86 HydrophobicContact CE2-CD1 4.38Å; Y17-I86 HydrophobicContact CE2-CG2 4.06Å; Y17-I86 HydrophobicContact CG-CD1 4.34Å; Y17-V125 HydrophobicContact CD2-CG1 4.28Å; Y17-V125 HydrophobicContact CE2-CG1 3.84Å; Y17-F126 PolarHBondContact N-O 2.61Å; Y17-E128 HydrophobicContact CE1-CG 4.24Å; Y17-E128 WeakPolarHBondContact OH-CG 3.48Å; Y17-E128 PolarHBondContact OH-OE2 2.86Å
18T95.1Very high95.7Very high20 Ų2037 Ų3712%0.12319%0.188CC..THydrogen-bonded Turntrans-62.1-20.9-172.253.50000115.1M1 L16 P22 C25 L29 P165 F166M1-T18 HydrophobicContact CB-CG2 3.72Å; M1-T18 HydrophobicContact CG-CG2 3.68Å; M1-T18 WeakPolarHBondContact CG-OG1 3.48Å; L16-T18 HydrophobicContact CB-CG2 4.07Å; L16-T18 PolarHBondContact O-N 2.89Å; T18-P22 WeakPolarHBondContact O-CA 3.34Å; T18-C25 HydrophobicContact CG2-CB 3.93Å; T18-L29 HydrophobicContact CG2-CD1 4.49Å; T18-P165 HydrophobicContact CG2-CG 3.99Å; T18-F166 HydrophobicContact CG2-CE2 3.86Å; T18-F166 HydrophobicContact CG2-CZ 4.18Å
19K94.9Very high95.9Very high185 Ų18535.4 Ų35.480%0.80418%0.179SC*.THydrogen-bonded Turntrans-86.5-37.5176.9-65.2178.7-178.1173.50111.5Y17Y17-K19 PolarHBondContact O-N 2.86Å; Y17-K19 VanDerWaalsContact O-N 3.13Å
20E95.2Very high96Very high72 Ų7233.7 Ų33.734%0.33617%0.168SC..THydrogen-bonded Turntrans-84.9-31.7-175.6-58.274.7-167.400111.9Y17 P22 P84 I86Y17-E20 VanDerWaalsContact C-OE2 3.28Å; Y17-E20 WeakPolarHBondContact CA-OE2 3.39Å; Y17-E20 WeakPolarHBondContact CB-OE2 3.41Å; Y17-E20 PolarHBondContact O-N 2.72Å; E20-P22 VanDerWaalsContact C-CD 3.5Å; E20-P84 HydrophobicContact CB-CG 3.76Å; E20-P84 HydrophobicContact CG-CG 3.82Å; E20-I86 HydrophobicContact CB-CD1 4Å; E20-I86 HydrophobicContact CG-CD1 4.5Å
21R95.3Very high96.1Very high8 Ų832.7 Ų32.73%0.0316%0.157CC..  trans-133.455.3-174.3-63.3-68.1-170.9-133.76.2112.1Y17 R23 A24 C25 E81 T82 L83 P84 I86 V125 F126Y17-R21 WeakPolarHBondContact O-CA 3.32Å; Y17-R21 WeakPolarHBondContact O-CB 3.18Å; Y17-R21 PolarHBondContact O-N 3.44Å; R21-R23 VanDerWaalsContact C-N 3.33Å; R21-R23 PolarHBondContact O-N 3.45Å; R21-A24 HydrophobicContact CB-CB 4.27Å; R21-A24 PolarHBondContact O-N 3.4Å; R21-C25 VanDerWaalsContact O-CB 3.25Å; R21-C25 WeakPolarHBondContact O-CB 3.4Å; R21-C25 PolarHBondContact O-N 3.48Å; R21-C25 PolarHBondContact O-SG 3.11Å; R21-E81 WeakPolarHBondContact CA-OE2 3.27Å; R21-E81 PolarHBondContact NE-O 3.5Å; R21-E81 PolarHBondContact NH1-O 3.29Å; R21-E81 PolarHBondContact NH2-O 3.28Å; R21-T82 PolarHBondContact NH1-O 3.47Å; R21-T82 PolarHBondContact NH2-O 2.96Å; R21-L83 PolarHBondContact NH1-O 3.34Å; R21-P84 PolarHBondContact NH1-O 3.16Å; R21-P84 PolarHBondContact NH2-O 2.91Å; R21-I86 HydrophobicContact CG-CD1 4.22Å; R21-V125 WeakPolarHBondContact CG-O 3.45Å; R21-V125 PolarHBondContact NE-O 3.28Å; R21-F126 HydrophobicContact CB-CB 4.15Å; R21-F126 HydrophobicContact CG-CB 4.35Å
22P95.6Very high96Very high51 Ų5128.8 Ų28.833%0.33114%0.136SC..Hα-helixtrans-60.6-38.9-171.824-34.7000113.2T18 E20 S26 E81 F166T18-P22 WeakPolarHBondContact O-CA 3.34Å; E20-P22 VanDerWaalsContact C-CD 3.5Å; P22-S26 WeakPolarHBondContact O-CB 3.31Å; P22-S26 PolarHBondContact O-N 3.48Å; P22-E81 WeakPolarHBondContact CD-OE1 3.45Å; P22-E81 WeakPolarHBondContact CG-OE1 3.28Å; P22-F166 HydrophobicContact CB-CE1 4.06Å; P22-F166 HydrophobicContact CB-CZ 4.09Å
23R94.6Very high95.8Very high109 Ų10931.2 Ų31.241%0.41115%0.147SC..Hα-helixtrans-74-43.6-177.6-164.9-180-178179.43.4111.5R21 S26 N27 F67 F78 E81R21-R23 VanDerWaalsContact C-N 3.33Å; R21-R23 PolarHBondContact O-N 3.45Å; R23-S26 PolarHBondContact O-N 2.79Å; R23-N27 WeakPolarHBondContact O-CB 3.43Å; R23-N27 PolarHBondContact O-N 2.73Å; R23-F67 HydrophobicContact CG-CE2 3.98Å; R23-F67 HydrophobicContact CG-CZ 3.72Å; R23-F78 HydrophobicContact CB-CE2 4.37Å; R23-F78 HydrophobicContact CG-CD2 3.88Å; R23-F78 HydrophobicContact CG-CE2 3.83Å; R23-E81 VanDerWaalsContact CB-CD 3.49Å; R23-E81 HydrophobicContact CB-CG 4.24Å; R23-E81 WeakPolarHBondContact CB-OE1 3.29Å; R23-E81 WeakPolarHBondContact CB-OE2 3.5Å; R23-E81 PolarHBondContact N-OE1 3.48Å; R23-E81 VanDerWaalsContact N-OE1 3.11Å; R23-E81 PolarHBondContact N-OE2 3.26Å
24A96Very high95.5Very high0 Ų030.8 Ų30.80%015%0.145CC..Hα-helixtrans-64.7-45.4176.400000111.6R21 S26 N27 F28 E81 F96 I104 F126R21-A24 HydrophobicContact CB-CB 4.27Å; R21-A24 PolarHBondContact O-N 3.4Å; A24-S26 PolarHBondContact O-N 3.27Å; A24-N27 WeakPolarHBondContact O-CB 3.39Å; A24-N27 PolarHBondContact O-N 3.12Å; A24-F28 PolarHBondContact O-N 2.88Å; A24-E81 PolarHBondContact N-OE2 3.09Å; A24-F96 HydrophobicContact CB-CD2 4.03Å; A24-F96 HydrophobicContact CB-CE2 3.95Å; A24-F96 WeakPolarHBondContact O-CE2 3.16Å; A24-I104 HydrophobicContact CB-CD1 4.4Å; A24-F126 HydrophobicContact CB-CB 4.03Å
25C96.8Very high95.2Very high0 Ų032.6 Ų32.60%015%0.153CC..Hα-helixtrans-63.8-42.7176.5-65.50000111.9L16 Y17 T18 R21 N27 F28 L29 F126 F166L16-C25 HydrophobicContact CB-CB 4.46Å; Y17-C25 VanDerWaalsContact C-SG 3.53Å; T18-C25 HydrophobicContact CG2-CB 3.93Å; R21-C25 VanDerWaalsContact O-CB 3.25Å; R21-C25 WeakPolarHBondContact O-CB 3.4Å; R21-C25 PolarHBondContact O-N 3.48Å; R21-C25 PolarHBondContact O-SG 3.11Å; C25-N27 VanDerWaalsContact C-N 3.33Å; C25-N27 PolarHBondContact O-N 3.36Å; C25-F28 PolarHBondContact O-N 3.05Å; C25-L29 WeakPolarHBondContact O-CB 3.4Å; C25-L29 VanDerWaalsContact O-CG 3.26Å; C25-L29 WeakPolarHBondContact O-CG 3.49Å; C25-L29 PolarHBondContact O-N 3.03Å; C25-F126 PolarHBondContact SG-O 2.98Å; C25-F166 HydrophobicContact CB-CE2 4.05Å
26S95.3Very high95Very high20 Ų2031.9 Ų31.914%0.1415%0.146CC..Hα-helixtrans-59.7-45175.3-178.50000111.1P22 R23 A24 F28 L29 K30P22-S26 WeakPolarHBondContact O-CB 3.31Å; P22-S26 PolarHBondContact O-N 3.48Å; R23-S26 PolarHBondContact O-N 2.79Å; A24-S26 PolarHBondContact O-N 3.27Å; S26-F28 PolarHBondContact O-N 3.22Å; S26-L29 PolarHBondContact O-N 3.32Å; S26-K30 WeakPolarHBondContact O-CB 3.41Å; S26-K30 VanDerWaalsContact O-CG 3.25Å; S26-K30 WeakPolarHBondContact O-CG 3.4Å; S26-K30 PolarHBondContact O-N 2.85Å
27N95.9Very high94.8Very high0 Ų031.6 Ų31.60%014%0.144CC..Hα-helixtrans-55.3-52.8173.7177.863.1000111.9R23 A24 C25 K30 L31 S65 I66 F67 F78 F96 G105R23-N27 WeakPolarHBondContact O-CB 3.43Å; R23-N27 PolarHBondContact O-N 2.73Å; A24-N27 WeakPolarHBondContact O-CB 3.39Å; A24-N27 PolarHBondContact O-N 3.12Å; C25-N27 VanDerWaalsContact C-N 3.33Å; C25-N27 PolarHBondContact O-N 3.36Å; N27-K30 PolarHBondContact O-N 2.94Å; N27-L31 WeakPolarHBondContact O-CB 3.38Å; N27-L31 VanDerWaalsContact O-CG 3.23Å; N27-L31 WeakPolarHBondContact O-CG 3.22Å; N27-L31 PolarHBondContact O-N 2.96Å; N27-S65 VanDerWaalsContact OD1-CA 3.32Å; N27-S65 WeakPolarHBondContact OD1-CA 3.07Å; N27-S65 WeakPolarHBondContact OD1-CB 3.49Å; N27-I66 HydrophobicContact CB-CG2 4.34Å; N27-I66 PolarHBondContact OD1-N 3.37Å; N27-F67 HydrophobicContact CB-CE2 3.96Å; N27-F67 HydrophobicContact CB-CZ 4.29Å; N27-F78 HydrophobicContact CB-CE1 3.82Å; N27-F78 HydrophobicContact CB-CZ 3.66Å; N27-F78 VanDerWaalsContact CG-CE1 3.49Å; N27-F96 WeakPolarHBondContact ND2-CZ 3.47Å; N27-G105 PolarHBondContact ND2-O 3.14Å
28F97Very high94.6Very high1 Ų129.7 Ų29.70%0.00414%0.137CC..Hα-helixtrans-59.1-52.4179.6-169.7-107000112.4V3 L16 A24 C25 S26 K30 L31 C32 Y37 L94 F96 F108 F126V3-F28 HydrophobicContact CB-CE1 4.23Å; V3-F28 HydrophobicContact CG1-CE1 4.16Å; V3-F28 HydrophobicContact CG2-CD1 4.4Å; V3-F28 HydrophobicContact CG2-CE1 4.19Å; L16-F28 HydrophobicContact CD1-CD1 3.89Å; L16-F28 HydrophobicContact CD2-CD1 4.13Å; L16-F28 HydrophobicContact CD2-CE1 4.31Å; A24-F28 PolarHBondContact O-N 2.88Å; C25-F28 PolarHBondContact O-N 3.05Å; S26-F28 PolarHBondContact O-N 3.22Å; F28-K30 VanDerWaalsContact C-N 3.34Å; F28-K30 PolarHBondContact O-N 3.07Å; F28-L31 PolarHBondContact O-N 3.31Å; F28-L31 VanDerWaalsContact O-N 3.16Å; F28-C32 PolarHBondContact O-N 2.74Å; F28-C32 PolarHBondContact O-SG 2.67Å; F28-Y37 AromaticContact CD2-CE2 3.65Å; F28-Y37 HydrophobicContact CD2-CE2 3.65Å; F28-Y37 HydrophobicContact CE2-CD2 4.33Å; F28-Y37 AromaticContact CE2-CE2 3.7Å; F28-Y37 HydrophobicContact CE2-CE2 3.7Å; F28-Y37 HydrophobicContact CG-CE2 4.49Å; F28-L94 HydrophobicContact CE1-CD2 4.32Å; F28-L94 HydrophobicContact CZ-CD2 4.16Å; F28-F96 HydrophobicContact CB-CE2 4.29Å; F28-F96 HydrophobicContact CB-CZ 3.81Å; F28-F96 HydrophobicContact CD2-CE1 4.4Å; F28-F96 AromaticContact CD2-CZ 3.98Å; F28-F96 HydrophobicContact CD2-CZ 3.98Å; F28-F96 HydrophobicContact CG-CZ 4.36Å; F28-F108 AromaticContact CE2-CD1 3.92Å; F28-F108 HydrophobicContact CE2-CD1 3.92Å; F28-F108 AromaticContact CE2-CE1 3.82Å; F28-F108 HydrophobicContact CE2-CE1 3.82Å; F28-F108 HydrophobicContact CE2-CG 4.44Å; F28-F108 HydrophobicContact CE2-CZ 4.25Å; F28-F126 HydrophobicContact CB-CD2 4.35Å; F28-F126 HydrophobicContact CB-CE2 3.69Å; F28-F126 HydrophobicContact CB-CZ 4.3Å; F28-F126 AromaticContact CD1-CE2 3.84Å; F28-F126 HydrophobicContact CD1-CE2 3.84Å; F28-F126 AromaticContact CD2-CE2 3.69Å; F28-F126 HydrophobicContact CD2-CE2 3.69Å; F28-F126 AromaticContact CD2-CZ 3.62Å; F28-F126 HydrophobicContact CD2-CZ 3.62Å; F28-F126 HydrophobicContact CE1-CE2 4.36Å; F28-F126 HydrophobicContact CE2-CE2 4.25Å; F28-F126 HydrophobicContact CE2-CZ 4Å; F28-F126 HydrophobicContact CG-CD2 4.5Å; F28-F126 AromaticContact CG-CE2 3.46Å; F28-F126 HydrophobicContact CG-CE2 3.46Å; F28-F126 VanDerWaalsContact CG-CE2 3.46Å; F28-F126 AromaticContact CG-CZ 3.91Å; F28-F126 HydrophobicContact CG-CZ 3.91Å
29L95.6Very high94.3Very high0 Ų029.5 Ų29.50%014%0.135CC..Hα-helixtrans-58.8-43.3-178.3-74.4165.6000112.1V3 L16 T18 C25 S26 C32 K33 V161 F166V3-L29 HydrophobicContact CG2-CD2 3.48Å; V3-L29 VanDerWaalsContact CG2-CD2 3.48Å; L16-L29 HydrophobicContact CD1-CD1 4.07Å; L16-L29 HydrophobicContact CD1-CD2 3.68Å; L16-L29 HydrophobicContact CD1-CG 3.61Å; T18-L29 HydrophobicContact CG2-CD1 4.49Å; C25-L29 WeakPolarHBondContact O-CB 3.4Å; C25-L29 VanDerWaalsContact O-CG 3.26Å; C25-L29 WeakPolarHBondContact O-CG 3.49Å; C25-L29 PolarHBondContact O-N 3.03Å; S26-L29 PolarHBondContact O-N 3.32Å; L29-C32 PolarHBondContact O-N 2.97Å; L29-K33 PolarHBondContact O-N 3.13Å; L29-V161 HydrophobicContact CD2-CG1 3.59Å; L29-V161 HydrophobicContact CD2-CG2 4.2Å; L29-F166 HydrophobicContact CD1-CD2 3.78Å; L29-F166 HydrophobicContact CD1-CE2 3.9Å
30K94.9Very high94.2Very high0 Ų020.9 Ų20.90%010%0.097CC..Hα-helixtrans-72.6-33179.5-59.6-34175.51780111.9S26 N27 F28 K33 S34 I66 D164 F166 P167 D168S26-K30 WeakPolarHBondContact O-CB 3.41Å; S26-K30 VanDerWaalsContact O-CG 3.25Å; S26-K30 WeakPolarHBondContact O-CG 3.4Å; S26-K30 PolarHBondContact O-N 2.85Å; N27-K30 PolarHBondContact O-N 2.94Å; F28-K30 VanDerWaalsContact C-N 3.34Å; F28-K30 PolarHBondContact O-N 3.07Å; K30-K33 HydrophobicContact CD-CD 4.31Å; K30-K33 PolarHBondContact O-N 2.65Å; K30-S34 WeakPolarHBondContact O-CB 3.48Å; K30-S34 PolarHBondContact O-N 3.43Å; K30-S34 PolarHBondContact O-OG 2.85Å; K30-I66 HydrophobicContact CB-CB 4.17Å; K30-I66 HydrophobicContact CB-CD1 4.02Å; K30-I66 HydrophobicContact CB-CG1 3.62Å; K30-I66 HydrophobicContact CB-CG2 4.21Å; K30-D164 IonicContact NZ-OD1 2.79Å; K30-D164 PolarHBondContact NZ-OD1 2.82Å; K30-D164 IonicContact NZ-OD2 3.87Å; K30-D164 PolarHBondContact NZ-OD2 2.79Å; K30-F166 PolarHBondContact NZ-O 3.2Å; K30-P167 PolarHBondContact NZ-O 2.8Å; K30-D168 IonicContact NZ-OD1 3.38Å; K30-D168 PolarHBondContact NZ-OD1 3.17Å
31L95.3Very high94.1Very high2 Ų218.2 Ų18.21%0.019%0.086CC..Hα-helixtrans-63.1-45.8171.4-71.5171.6000110.7N27 F28 S34 K35 Y36 Y37 I66N27-L31 WeakPolarHBondContact O-CB 3.38Å; N27-L31 VanDerWaalsContact O-CG 3.23Å; N27-L31 WeakPolarHBondContact O-CG 3.22Å; N27-L31 PolarHBondContact O-N 2.96Å; F28-L31 PolarHBondContact O-N 3.31Å; F28-L31 VanDerWaalsContact O-N 3.16Å; L31-S34 PolarHBondContact O-N 2.9Å; L31-S34 PolarHBondContact O-OG 2.94Å; L31-K35 PolarHBondContact O-N 3.45Å; L31-Y36 HydrophobicContact CB-CD1 4.46Å; L31-Y36 HydrophobicContact CD2-CD1 3.83Å; L31-Y36 HydrophobicContact CD2-CD2 3.95Å; L31-Y36 HydrophobicContact CD2-CE1 4.36Å; L31-Y36 HydrophobicContact CD2-CE2 4.43Å; L31-Y36 HydrophobicContact CD2-CG 3.61Å; L31-Y36 WeakPolarHBondContact O-CB 3.41Å; L31-Y36 PolarHBondContact O-N 2.77Å; L31-Y37 HydrophobicContact CB-CD2 3.95Å; L31-Y37 HydrophobicContact CB-CE2 3.42Å; L31-Y37 VanDerWaalsContact CB-CE2 3.42Å; L31-Y37 HydrophobicContact CD1-CE2 4.08Å; L31-Y37 VanDerWaalsContact CD1-OH 3.31Å; L31-Y37 WeakPolarHBondContact CD1-OH 3.35Å; L31-Y37 HydrophobicContact CG-CE2 4.39Å; L31-I66 HydrophobicContact CD2-CB 4.15Å; L31-I66 HydrophobicContact CD2-CD1 4.17Å; L31-I66 HydrophobicContact CG-CB 4.17Å
32C94.9Very high94Very high0 Ų018 Ų180%09%0.085CC..Hα-helixtrans-57.4-50.2172.3-65.30000112.3F28 L29 S34 K35 T159 V161F28-C32 PolarHBondContact O-N 2.74Å; F28-C32 PolarHBondContact O-SG 2.67Å; L29-C32 PolarHBondContact O-N 2.97Å; C32-S34 VanDerWaalsContact C-N 3.27Å; C32-S34 PolarHBondContact O-N 2.74Å; C32-K35 WeakPolarHBondContact O-CA 3.48Å; C32-K35 PolarHBondContact O-N 3.23Å; C32-T159 WeakPolarHBondContact CA-OG1 3.46Å; C32-T159 PolarHBondContact O-OG1 3.06Å; C32-V161 HydrophobicContact CB-CG2 3.61Å
33K92.3Very high93.9Very high51 Ų5116.2 Ų16.222%0.2227%0.072CC..Hα-helixtrans-58.3-38.3176.5-81-177.7162.3-179.70112.8L29 K30 K35 V161 D164 D168 Y174L29-K33 PolarHBondContact O-N 3.13Å; K30-K33 HydrophobicContact CD-CD 4.31Å; K30-K33 PolarHBondContact O-N 2.65Å; K33-K35 PolarHBondContact O-N 2.89Å; K33-V161 HydrophobicContact CG-CB 4.36Å; K33-V161 HydrophobicContact CG-CG2 3.96Å; K33-D164 WeakPolarHBondContact CD-OD2 3.46Å; K33-D164 WeakPolarHBondContact CE-OD2 3.35Å; K33-D164 IonicContact NZ-OD2 3.6Å; K33-D164 PolarHBondContact NZ-OD2 2.91Å; K33-D168 IonicContact NZ-OD1 2.71Å; K33-D168 PolarHBondContact NZ-OD1 2.87Å; K33-D168 IonicContact NZ-OD2 3.81Å; K33-Y174 HydrophobicContact CB-CD1 3.67Å; K33-Y174 HydrophobicContact CB-CE1 3.72Å; K33-Y174 HydrophobicContact CB-CG 4.23Å
34S91.7Very high93.8Very high11 Ų1111.6 Ų11.68%0.0776%0.056CC..THydrogen-bonded Turntrans-76.90.3177.4740000114.2K30 L31 C32 Y36K30-S34 WeakPolarHBondContact O-CB 3.48Å; K30-S34 PolarHBondContact O-N 3.43Å; K30-S34 PolarHBondContact O-OG 2.85Å; L31-S34 PolarHBondContact O-N 2.9Å; L31-S34 PolarHBondContact O-OG 2.94Å; C32-S34 VanDerWaalsContact C-N 3.27Å; C32-S34 PolarHBondContact O-N 2.74Å; S34-Y36 PolarHBondContact O-N 3.2Å
35K91.4Very high93.8Very high41 Ų4111.7 Ų11.718%0.1786%0.057CC..THydrogen-bonded Turntrans58.927-176.5-52.2-62.5174178.60113L31 C32 K33 Y37 N38 T159 P175L31-K35 PolarHBondContact O-N 3.45Å; C32-K35 WeakPolarHBondContact O-CA 3.48Å; C32-K35 PolarHBondContact O-N 3.23Å; K33-K35 PolarHBondContact O-N 2.89Å; K35-Y37 VanDerWaalsContact C-N 3.29Å; K35-Y37 PolarHBondContact O-N 3.3Å; K35-N38 HydrophobicContact CB-CB 4.36Å; K35-N38 WeakPolarHBondContact O-CB 3.35Å; K35-N38 PolarHBondContact O-N 3.29Å; K35-T159 PolarHBondContact NZ-O 3.47Å; K35-P175 HydrophobicContact CB-CG 4.19Å; K35-P175 HydrophobicContact CG-CG 3.74Å
36Y92.8Very high93.5Very high43 Ų4312 Ų1217%0.1696%0.058CC..THydrogen-bonded Turntrans-64.3-34.6179.9-177.6-88.6000112.5L31 S34 N38 N40 P56 G63 E64 S106L31-Y36 HydrophobicContact CB-CD1 4.46Å; L31-Y36 HydrophobicContact CD2-CD1 3.83Å; L31-Y36 HydrophobicContact CD2-CD2 3.95Å; L31-Y36 HydrophobicContact CD2-CE1 4.36Å; L31-Y36 HydrophobicContact CD2-CE2 4.43Å; L31-Y36 HydrophobicContact CD2-CG 3.61Å; L31-Y36 WeakPolarHBondContact O-CB 3.41Å; L31-Y36 PolarHBondContact O-N 2.77Å; S34-Y36 PolarHBondContact O-N 3.2Å; Y36-N38 VanDerWaalsContact C-N 3.34Å; Y36-N40 PolarHBondContact O-OD1 2.94Å; Y36-P56 HydrophobicContact CD1-CG 4.23Å; Y36-P56 HydrophobicContact CE1-CG 3.43Å; Y36-P56 VanDerWaalsContact CE1-CG 3.43Å; Y36-P56 HydrophobicContact CE2-CG 3.97Å; Y36-P56 WeakPolarHBondContact OH-CD 3.33Å; Y36-P56 VanDerWaalsContact OH-CG 3.24Å; Y36-P56 WeakPolarHBondContact OH-CG 3.48Å; Y36-G63 WeakPolarHBondContact OH-CA 3.22Å; Y36-E64 HydrophobicContact CE2-CG 3.94Å; Y36-E64 WeakPolarHBondContact OH-CG 3.43Å; Y36-E64 PolarHBondContact OH-N 3.11Å; Y36-E64 VanDerWaalsContact OH-N 3.12Å; Y36-S106 WeakPolarHBondContact CE1-OG 3.48Å
37Y94.9Very high93.3Very high1 Ų111.7 Ų11.70%0.0046%0.057CC..THydrogen-bonded Turntrans-84.5-7.7179.4-66.8-57.3000113.9F28 L31 K35 F39 N40 G54 S106 F108 I156F28-Y37 AromaticContact CD2-CE2 3.65Å; F28-Y37 HydrophobicContact CD2-CE2 3.65Å; F28-Y37 HydrophobicContact CE2-CD2 4.33Å; F28-Y37 AromaticContact CE2-CE2 3.7Å; F28-Y37 HydrophobicContact CE2-CE2 3.7Å; F28-Y37 HydrophobicContact CG-CE2 4.49Å; L31-Y37 HydrophobicContact CB-CD2 3.95Å; L31-Y37 HydrophobicContact CB-CE2 3.42Å; L31-Y37 VanDerWaalsContact CB-CE2 3.42Å; L31-Y37 HydrophobicContact CD1-CE2 4.08Å; L31-Y37 VanDerWaalsContact CD1-OH 3.31Å; L31-Y37 WeakPolarHBondContact CD1-OH 3.35Å; L31-Y37 HydrophobicContact CG-CE2 4.39Å; K35-Y37 VanDerWaalsContact C-N 3.29Å; K35-Y37 PolarHBondContact O-N 3.3Å; Y37-F39 PolarHBondContact O-N 2.97Å; Y37-N40 WeakPolarHBondContact CD1-ND2 3.45Å; Y37-N40 WeakPolarHBondContact O-CB 3.4Å; Y37-N40 PolarHBondContact O-N 2.89Å; Y37-N40 VanDerWaalsContact O-N 3.11Å; Y37-G54 VanDerWaalsContact CE1-CA 3.49Å; Y37-S106 VanDerWaalsContact CE1-O 3.29Å; Y37-S106 WeakPolarHBondContact CE1-O 3.48Å; Y37-S106 PolarHBondContact OH-O 3.41Å; Y37-F108 AromaticContact CD1-CE1 3.96Å; Y37-F108 HydrophobicContact CD1-CE1 3.96Å; Y37-F108 AromaticContact CE1-CD1 3.98Å; Y37-F108 HydrophobicContact CE1-CD1 3.98Å; Y37-F108 AromaticContact CE1-CE1 3.69Å; Y37-F108 HydrophobicContact CE1-CE1 3.69Å; Y37-F108 HydrophobicContact CE2-CE1 4.49Å; Y37-F108 HydrophobicContact CG-CE1 4.5Å; Y37-F108 AromaticContact CZ-CE1 3.95Å; Y37-I156 WeakPolarHBondContact O-CB 3.14Å; Y37-I156 WeakPolarHBondContact O-CG2 3.5Å
38N90.4Very high93.1Very high8 Ų816 Ų164%0.0438%0.08CC..THydrogen-bonded Turntrans-65.2132.8180-74.736.1000110.1K35 Y36 N40 M157 H158 T159 S178 P179K35-N38 HydrophobicContact CB-CB 4.36Å; K35-N38 WeakPolarHBondContact O-CB 3.35Å; K35-N38 PolarHBondContact O-N 3.29Å; Y36-N38 VanDerWaalsContact C-N 3.34Å; N38-N40 PolarHBondContact O-N 3.06Å; N38-M157 PolarHBondContact ND2-O 3.26Å; N38-H158 PolarHBondContact ND2-ND1 3.05Å; N38-T159 PolarHBondContact OD1-N 3.3Å; N38-T159 PolarHBondContact OD1-OG1 2.83Å; N38-S178 VanDerWaalsContact ND2-CB 3.34Å; N38-S178 WeakPolarHBondContact ND2-CB 3.33Å; N38-S178 PolarHBondContact ND2-OG 3.28Å; N38-S178 VanDerWaalsContact ND2-OG 3.12Å; N38-P179 HydrophobicContact CB-CG 4.44Å
39F89.5Confident92.9Very high17 Ų1716.3 Ų16.38%0.0758%0.082CC..THydrogen-bonded Turntrans61.68.7-172.2-51.4-72.4000116.6Y37 L41 R155 I156 M157 P179 P181 M185Y37-F39 PolarHBondContact O-N 2.97Å; F39-L41 PolarHBondContact O-N 3.45Å; F39-R155 PolarHBondContact O-NH1 3.05Å; F39-I156 WeakPolarHBondContact CA-O 3.32Å; F39-I156 PolarHBondContact N-O 3.45Å; F39-M157 HydrophobicContact CD1-SD 4.22Å; F39-M157 HydrophobicContact CE1-CE 4.04Å; F39-M157 HydrophobicContact CE1-SD 4.11Å; F39-P179 WeakPolarHBondContact CE2-O 3.15Å; F39-P181 HydrophobicContact CE1-CB 4.24Å; F39-P181 HydrophobicContact CE1-CG 3.74Å; F39-P181 HydrophobicContact CE2-CG 4.26Å; F39-P181 HydrophobicContact CZ-CB 4.2Å; F39-P181 HydrophobicContact CZ-CG 3.57Å; F39-M185 HydrophobicContact CB-CE 3.52Å; F39-M185 HydrophobicContact CB-SD 3.21Å; F39-M185 WeakPolarHBondContact CB-SD 3.49Å; F39-M185 HydrophobicContact CD1-SD 4.48Å; F39-M185 HydrophobicContact CD2-SD 4.05Å; F39-M185 HydrophobicContact CG-CE 4.48Å; F39-M185 HydrophobicContact CG-SD 3.69Å
40N93.2Very high92.9Very high3 Ų316.3 Ų16.32%0.0168%0.082CC..  trans-61.6140.6171.2-73.89.2000109.6Y36 Y37 N38 P56 R155 I156Y36-N40 PolarHBondContact O-OD1 2.94Å; Y37-N40 WeakPolarHBondContact CD1-ND2 3.45Å; Y37-N40 WeakPolarHBondContact O-CB 3.4Å; Y37-N40 PolarHBondContact O-N 2.89Å; Y37-N40 VanDerWaalsContact O-N 3.11Å; N38-N40 PolarHBondContact O-N 3.06Å; N40-P56 WeakPolarHBondContact OD1-CA 3.37Å; N40-R155 WeakPolarHBondContact O-CA 3.44Å; N40-I156 PolarHBondContact O-N 2.9Å
41L92Very high92.9Very high17 Ų1716.3 Ų16.39%0.0898%0.082CC..BIsolated β-bridgetrans-81.7146.1178.4-73.7142.2000109.9F39 F43 S53 E153 R155F39-L41 PolarHBondContact O-N 3.45Å; L41-F43 HydrophobicContact CB-CB 4.33Å; L41-F43 PolarHBondContact O-N 3.37Å; L41-F43 VanDerWaalsContact O-N 3.08Å; L41-S53 WeakPolarHBondContact O-CB 3.41Å; L41-S53 PolarHBondContact O-OG 2.9Å; L41-E153 HydrophobicContact CD2-CB 4.03Å; L41-E153 HydrophobicContact CD2-CG 4.22Å; L41-R155 HydrophobicContact CD2-CG 3.68Å; L41-R155 HydrophobicContact CG-CG 4.13Å
42F95.1Very high93Very high2 Ų216.9 Ų16.91%0.0098%0.084CC..  trans-73.588.9149.3-74-89.5000107T7 S44 I45 A51 Q52 L139 P150 V154 I156T7-F42 HydrophobicContact CG2-CE2 3.91Å; T7-F42 HydrophobicContact CG2-CZ 4.47Å; F42-S44 VanDerWaalsContact C-N 3.31Å; F42-I45 HydrophobicContact CB-CD1 3.79Å; F42-I45 HydrophobicContact CB-CG1 3.89Å; F42-I45 HydrophobicContact CG-CD1 4.48Å; F42-A51 HydrophobicContact CD1-CB 3.89Å; F42-A51 HydrophobicContact CE1-CB 4.18Å; F42-Q52 CarbonylContact C-O 3.55Å; F42-Q52 VanDerWaalsContact CA-O 3.25Å; F42-Q52 WeakPolarHBondContact CA-O 3.5Å; F42-L139 HydrophobicContact CG-CD2 4.46Å; F42-P150 WeakPolarHBondContact O-CD 3.49Å; F42-V154 HydrophobicContact CB-CB 4.3Å; F42-V154 HydrophobicContact CD2-CB 4.28Å; F42-V154 HydrophobicContact CD2-CG1 3.8Å; F42-V154 HydrophobicContact CE2-CG1 4.4Å; F42-V154 PolarHBondContact N-O 2.94Å; F42-I156 HydrophobicContact CE2-CD1 4.45Å; F42-I156 HydrophobicContact CE2-CG1 3.8Å; F42-I156 HydrophobicContact CZ-CG1 4.35Å
43F92.2Very high93Very high14 Ų1416.9 Ų16.96%0.0618%0.084CC..  trans-80.7-15.6-168.959.2-101.9000113L41 Q52 D55 R149L41-F43 HydrophobicContact CB-CB 4.33Å; L41-F43 PolarHBondContact O-N 3.37Å; L41-F43 VanDerWaalsContact O-N 3.08Å; F43-Q52 HydrophobicContact CE2-CB 3.94Å; F43-Q52 HydrophobicContact CZ-CB 3.89Å; F43-Q52 PolarHBondContact N-O 3.46Å; F43-Q52 VanDerWaalsContact N-O 3.13Å; F43-D55 HydrophobicContact CD1-CB 3.96Å; F43-D55 HydrophobicContact CE1-CB 3.6Å; F43-D55 HydrophobicContact CZ-CB 4.36Å; F43-R149 WeakPolarHBondContact O-CD 3.48Å
44S93.6Very high93.2Very high12 Ų1214.5 Ų14.58%0.0847%0.074CC..EExtended strand (participates in β ladder)trans-142.4120.6172.6-179.90000107.8F42 Q52 N148F42-S44 VanDerWaalsContact C-N 3.31Å; S44-Q52 PolarHBondContact O-N 3.27Å; S44-N148 CarbonylContact C-O 3.6Å; S44-N148 VanDerWaalsContact CA-O 3.31Å; S44-N148 WeakPolarHBondContact CA-O 3.46Å
45I94.5Very high93.3Very high3 Ų314 Ų142%0.0157%0.07CC..EExtended strand (participates in β ladder)trans-124.7119.9173.1-60.6-174.2000106.8F42 A51 L112 L139 T142 C144 N148 P150 V154F42-I45 HydrophobicContact CB-CD1 3.79Å; F42-I45 HydrophobicContact CB-CG1 3.89Å; F42-I45 HydrophobicContact CG-CD1 4.48Å; I45-A51 HydrophobicContact CG1-CB 4.18Å; I45-A51 HydrophobicContact CG2-CB 4.48Å; I45-L112 HydrophobicContact CG2-CD1 3.95Å; I45-L139 HydrophobicContact CD1-CD2 3.67Å; I45-L139 WeakPolarHBondContact CG2-O 3.39Å; I45-T142 HydrophobicContact CD1-CG2 4.3Å; I45-C144 PolarHBondContact O-SG 3.29Å; I45-N148 PolarHBondContact N-O 3.18Å; I45-P150 HydrophobicContact CB-CG 4.12Å; I45-P150 HydrophobicContact CD1-CG 3.52Å; I45-P150 HydrophobicContact CG1-CG 3.73Å; I45-V154 HydrophobicContact CD1-CG2 4.39Å
46E91.8Very high93.1Very high5 Ų514.4 Ų14.42%0.0238%0.077CC..EExtended strand (participates in β ladder)trans-120.1114.5174.5-173.4160.8-13700110.1F49 V50 L112 A220 H223E46-F49 HydrophobicContact CB-CB 4.14Å; E46-F49 HydrophobicContact CB-CD1 4.22Å; E46-F49 HydrophobicContact CG-CB 3.97Å; E46-F49 HydrophobicContact CG-CD1 4.34Å; E46-F49 CarbonylContact O-C 3.47Å; E46-F49 WeakPolarHBondContact O-CA 3.32Å; E46-F49 PolarHBondContact O-N 3.3Å; E46-F49 WeakPolarHBondContact OE2-CD1 3.07Å; E46-V50 PolarHBondContact N-O 2.92Å; E46-V50 PolarHBondContact O-N 3.24Å; E46-V50 VanDerWaalsContact O-N 3.09Å; E46-L112 WeakPolarHBondContact O-CD1 3.33Å; E46-A220 WeakPolarHBondContact OE1-CA 3.27Å; E46-A220 PolarHBondContact OE1-N 3.09Å; E46-H223 WeakPolarHBondContact OE2-CB 3.42Å; E46-H223 IonicContact OE2-CE1 2.85Å; E46-H223 IonicContact OE2-CG 2.81Å; E46-H223 IonicContact OE2-ND1 3.68Å; E46-H223 PolarHBondContact OE2-ND1 2.95Å
47A90.8Very high92.8Very high14 Ų1418.4 Ų18.412%0.11610%0.101CC..THydrogen-bonded Turntrans-69.8135.4-172.500000111.6N140A47-N140 VanDerWaalsContact CA-OD1 3.23Å; A47-N140 WeakPolarHBondContact CA-OD1 3.44Å; A47-N140 WeakPolarHBondContact CB-O 3.3Å
48N90.8Very high92.3Very high92 Ų9218.8 Ų18.849%0.49211%0.105SC..THydrogen-bonded Turntrans63.322.1-167.1-51.4-41.9000113.8S113 N140 R216N48-S113 VanDerWaalsContact C-CB 3.48Å; N48-S113 WeakPolarHBondContact O-CB 3.42Å; N48-N140 PolarHBondContact N-OD1 3.18Å; N48-N140 PolarHBondContact OD1-ND2 3.12Å; N48-R216 PolarHBondContact ND2-NH2 3.21Å
49F93Very high92Very high7 Ų721.6 Ų21.63%0.03112%0.122CC..THydrogen-bonded Turntrans-135-90.2174.4-174.9-131.5000111.3E46 L112 I116 F118 L119 H223 V224 M227E46-F49 HydrophobicContact CB-CB 4.14Å; E46-F49 HydrophobicContact CB-CD1 4.22Å; E46-F49 HydrophobicContact CG-CB 3.97Å; E46-F49 HydrophobicContact CG-CD1 4.34Å; E46-F49 CarbonylContact O-C 3.47Å; E46-F49 WeakPolarHBondContact O-CA 3.32Å; E46-F49 PolarHBondContact O-N 3.3Å; E46-F49 WeakPolarHBondContact OE2-CD1 3.07Å; F49-L112 PolarHBondContact O-N 3.19Å; F49-I116 HydrophobicContact CD2-CD1 4.05Å; F49-I116 HydrophobicContact CD2-CG2 3.95Å; F49-I116 HydrophobicContact CE2-CD1 4.49Å; F49-I116 HydrophobicContact CE2-CG2 3.5Å; F49-I116 WeakPolarHBondContact O-CD1 3.36Å; F49-F118 HydrophobicContact CD2-CZ 4.16Å; F49-F118 AromaticContact CE2-CE2 3.54Å; F49-F118 HydrophobicContact CE2-CE2 3.54Å; F49-F118 AromaticContact CE2-CZ 3.52Å; F49-F118 HydrophobicContact CE2-CZ 3.52Å; F49-F118 HydrophobicContact CZ-CE2 4.03Å; F49-F118 HydrophobicContact CZ-CZ 4.38Å; F49-L119 HydrophobicContact CE2-CD1 4.01Å; F49-L119 HydrophobicContact CZ-CD1 4.07Å; F49-L119 HydrophobicContact CZ-CD2 4.49Å; F49-H223 AromaticContact CD1-ND1 3.54Å; F49-H223 AromaticContact CE1-CE1 3.8Å; F49-H223 AromaticContact CE1-ND1 3.32Å; F49-H223 VanDerWaalsContact CE1-ND1 3.32Å; F49-H223 WeakPolarHBondContact CE1-ND1 3.21Å; F49-V224 HydrophobicContact CD1-CG2 4.4Å; F49-V224 HydrophobicContact CD2-CG2 3.89Å; F49-V224 HydrophobicContact CE1-CG2 3.95Å; F49-V224 HydrophobicContact CE2-CG2 3.44Å; F49-V224 VanDerWaalsContact CE2-CG2 3.44Å; F49-V224 HydrophobicContact CG-CG2 4.38Å; F49-V224 HydrophobicContact CZ-CB 4.28Å; F49-V224 HydrophobicContact CZ-CG2 3.45Å; F49-V224 VanDerWaalsContact CZ-CG2 3.45Å; F49-M227 HydrophobicContact CE1-CG 4.43Å; F49-M227 HydrophobicContact CE1-SD 3.45Å; F49-M227 WeakPolarHBondContact CE1-SD 3.42Å; F49-M227 HydrophobicContact CZ-CG 4.46Å; F49-M227 HydrophobicContact CZ-SD 3.51Å; F49-M227 VanDerWaalsContact CZ-SD 3.51Å
50V95.4Very high91.8Very high0 Ų022.1 Ų22.10%013%0.132CC..EExtended strand (participates in β ladder)trans-146.8149-175.3-57.30000112.6E46 Q52 F109 V110 I116 L119 M227E46-V50 PolarHBondContact N-O 2.92Å; E46-V50 PolarHBondContact O-N 3.24Å; E46-V50 VanDerWaalsContact O-N 3.09Å; V50-Q52 HydrophobicContact CG2-CG 3.88Å; V50-F109 HydrophobicContact CB-CB 4.14Å; V50-F109 HydrophobicContact CB-CD2 3.96Å; V50-F109 HydrophobicContact CB-CG 4.31Å; V50-F109 HydrophobicContact CG1-CD2 3.57Å; V50-F109 HydrophobicContact CG1-CE2 3.97Å; V50-F109 HydrophobicContact CG1-CG 4.3Å; V50-F109 HydrophobicContact CG2-CB 4.43Å; V50-V110 VanDerWaalsContact CA-O 3.32Å; V50-V110 WeakPolarHBondContact CA-O 3.41Å; V50-I116 HydrophobicContact CG1-CD1 4.24Å; V50-L119 HydrophobicContact CG1-CD1 4.38Å; V50-M227 HydrophobicContact CG2-CE 4.49Å; V50-M227 HydrophobicContact CG2-SD 3.86Å
51A96.5Very high91.3Very high0 Ų031.4 Ų31.40%017%0.167CC..EExtended strand (participates in β ladder)trans-107.1116.2165.800000109.3F42 I45 F109 V110 L112F42-A51 HydrophobicContact CD1-CB 3.89Å; F42-A51 HydrophobicContact CE1-CB 4.18Å; I45-A51 HydrophobicContact CG1-CB 4.18Å; I45-A51 HydrophobicContact CG2-CB 4.48Å; A51-F109 CarbonylContact O-C 3.57Å; A51-F109 WeakPolarHBondContact O-CA 3.19Å; A51-V110 PolarHBondContact N-O 3.49Å; A51-V110 PolarHBondContact O-N 3.26Å; A51-L112 HydrophobicContact CB-CD1 4.01Å; A51-L112 HydrophobicContact CB-CD2 4.27Å; A51-L112 HydrophobicContact CB-CG 4.2Å
52Q96.1Very high91Very high14 Ų1430.7 Ų30.77%0.06516%0.164CC..EExtended strand (participates in β ladder)trans-100.4135.9-176.7-51-167.90.400112.1F42 F43 S44 V50 F108 F109 H223 M227F42-Q52 CarbonylContact C-O 3.55Å; F42-Q52 VanDerWaalsContact CA-O 3.25Å; F42-Q52 WeakPolarHBondContact CA-O 3.5Å; F43-Q52 HydrophobicContact CE2-CB 3.94Å; F43-Q52 HydrophobicContact CZ-CB 3.89Å; F43-Q52 PolarHBondContact N-O 3.46Å; F43-Q52 VanDerWaalsContact N-O 3.13Å; S44-Q52 PolarHBondContact O-N 3.27Å; V50-Q52 HydrophobicContact CG2-CG 3.88Å; Q52-F108 WeakPolarHBondContact CA-O 3.45Å; Q52-F109 HydrophobicContact CB-CB 4.39Å; Q52-F109 HydrophobicContact CG-CB 3.9Å; Q52-H223 PolarHBondContact NE2-CE1 3.26Å; Q52-H223 PolarHBondContact NE2-NE2 3Å; Q52-M227 PolarHBondContact NE2-SD 2.74Å
53S96.2Very high90.8Very high0 Ų031 Ų310%017%0.167CC..EExtended strand (participates in β ladder)trans-146.5-170.4174.9-164.90000111L41 Q107 F108L41-S53 WeakPolarHBondContact O-CB 3.41Å; L41-S53 PolarHBondContact O-OG 2.9Å; S53-Q107 WeakPolarHBondContact O-CA 3.26Å; S53-F108 PolarHBondContact N-O 2.81Å; S53-F108 PolarHBondContact O-N 2.67Å
54G94.9Very high90.9Very high0 Ų032 Ų320%017%0.172CC..  trans91.46.8175.900000115.9Y37 S106Y37-G54 VanDerWaalsContact CE1-CA 3.49Å; G54-S106 CarbonylContact O-C 3.59Å; G54-S106 WeakPolarHBondContact O-CB 3.1Å; G54-S106 PolarHBondContact O-OG 2.67Å
55D93.5Very high91Very high0 Ų031.4 Ų31.40%017%0.169CC..  trans-100112.3165.91807.8000110.1F43 L57 G58 T59 G60 R61 G62 G63 Q107F43-D55 HydrophobicContact CD1-CB 3.96Å; F43-D55 HydrophobicContact CE1-CB 3.6Å; F43-D55 HydrophobicContact CZ-CB 4.36Å; D55-L57 PolarHBondContact O-N 3.02Å; D55-L57 WeakPolarHBondContact OD1-CB 3.34Å; D55-L57 PolarHBondContact OD1-N 3.29Å; D55-G58 PolarHBondContact O-N 3.25Å; D55-T59 WeakPolarHBondContact OD2-CA 3.48Å; D55-T59 PolarHBondContact OD2-N 3.19Å; D55-T59 PolarHBondContact OD2-OG1 2.64Å; D55-G60 PolarHBondContact OD2-N 3.37Å; D55-R61 PolarHBondContact OD2-N 3.34Å; D55-G62 VanDerWaalsContact CG-CA 3.48Å; D55-G62 VanDerWaalsContact OD1-C 3.32Å; D55-G62 WeakPolarHBondContact OD1-CA 3.37Å; D55-G62 PolarHBondContact OD1-N 2.77Å; D55-G62 PolarHBondContact OD2-N 3.05Å; D55-G63 PolarHBondContact OD1-N 3.24Å; D55-Q107 HydrophobicContact CB-CG 4.08Å
56P88.4Confident90.9Very high50 Ų5031.3 Ų31.333%0.32517%0.168SC..THydrogen-bonded Turntrans-61.6-24.7175.8-22.533.1000114.7Y36 N40 G58Y36-P56 HydrophobicContact CD1-CG 4.23Å; Y36-P56 HydrophobicContact CE1-CG 3.43Å; Y36-P56 VanDerWaalsContact CE1-CG 3.43Å; Y36-P56 HydrophobicContact CE2-CG 3.97Å; Y36-P56 WeakPolarHBondContact OH-CD 3.33Å; Y36-P56 VanDerWaalsContact OH-CG 3.24Å; Y36-P56 WeakPolarHBondContact OH-CG 3.48Å; N40-P56 WeakPolarHBondContact OD1-CA 3.37Å; P56-G58 VanDerWaalsContact C-N 3.28Å
57L85.8Confident91Very high128 Ų12832 Ų3267%0.6717%0.171SC*.THydrogen-bonded Turntrans-79.9-16.6175.2-57.8178.2000111.5D55 T59D55-L57 PolarHBondContact O-N 3.02Å; D55-L57 WeakPolarHBondContact OD1-CB 3.34Å; D55-L57 PolarHBondContact OD1-N 3.29Å; L57-T59 HydrophobicContact CB-CG2 3.97Å; L57-T59 PolarHBondContact O-N 3.42Å
58G85.1Confident91.1Very high8 Ų835.4 Ų35.48%0.08218%0.181CC..SBendtrans59.531-17500000112.9D55 P56 R149D55-G58 PolarHBondContact O-N 3.25Å; P56-G58 VanDerWaalsContact C-N 3.28Å; G58-R149 PolarHBondContact O-NH1 3.48Å
59T83.5Confident91Very high67 Ų6736.9 Ų36.941%0.41118%0.18SC..SBendtrans-105.6-12.5-177.9600000113.4D55 L57 R61D55-T59 WeakPolarHBondContact OD2-CA 3.48Å; D55-T59 PolarHBondContact OD2-N 3.19Å; D55-T59 PolarHBondContact OD2-OG1 2.64Å; L57-T59 HydrophobicContact CB-CG2 3.97Å; L57-T59 PolarHBondContact O-N 3.42Å; T59-R61 PolarHBondContact O-N 3.28Å; T59-R61 PolarHBondContact OG1-N 2.9Å
60G85.4Confident90.8Very high28 Ų2838.8 Ų38.829%0.28919%0.189SC..SBendtrans77.8-3.3-169.200000113.8D55 Q107D55-G60 PolarHBondContact OD2-N 3.37Å; G60-Q107 PolarHBondContact O-NE2 3.17Å; G60-Q107 PolarHBondContact O-OE1 2.96Å
61R83.8Confident90.6Very high198 Ų19845.7 Ų45.775%0.74722%0.217SC*.SBendtrans-113.4-8-179-63.8-170.7-65.5-95.2-0.9114.1D55 T59D55-R61 PolarHBondContact OD2-N 3.34Å; T59-R61 PolarHBondContact O-N 3.28Å; T59-R61 PolarHBondContact OG1-N 2.9Å
62G85.7Confident90.3Very high3 Ų347 Ų473%0.03123%0.23CC..  trans-92.5-163.5178.700000112.4D55 Q107D55-G62 VanDerWaalsContact CG-CA 3.48Å; D55-G62 VanDerWaalsContact OD1-C 3.32Å; D55-G62 WeakPolarHBondContact OD1-CA 3.37Å; D55-G62 PolarHBondContact OD1-N 2.77Å; D55-G62 PolarHBondContact OD2-N 3.05Å; G62-Q107 PolarHBondContact O-NE2 3.13Å
63G90.2Very high90Very high7 Ų751.6 Ų51.67%0.07226%0.255CS..  trans96.5146.4-176.600000114Y36 D55 S106Y36-G63 WeakPolarHBondContact OH-CA 3.22Å; D55-G63 PolarHBondContact OD1-N 3.24Å; G63-S106 WeakPolarHBondContact CA-OG 3.34Å
64E93.6Very high89.7Confident35 Ų3558.6 Ų58.616%0.16429%0.288CS..  trans-152.3149.7178.958.2-176.8-143.900110Y36 R68 R76 S106Y36-E64 HydrophobicContact CE2-CG 3.94Å; Y36-E64 WeakPolarHBondContact OH-CG 3.43Å; Y36-E64 PolarHBondContact OH-N 3.11Å; Y36-E64 VanDerWaalsContact OH-N 3.12Å; E64-R68 VanDerWaalsContact CD-CD 3.41Å; E64-R68 VanDerWaalsContact CD-NH1 3.34Å; E64-R68 IonicContact OE1-NH1 2.74Å; E64-R68 PolarHBondContact OE1-NH1 3.1Å; E64-R68 WeakPolarHBondContact OE2-CD 3.4Å; E64-R68 IonicContact OE2-CZ 3.37Å; E64-R68 IonicContact OE2-NE 3.96Å; E64-R68 PolarHBondContact OE2-NE 3.42Å; E64-R68 IonicContact OE2-NH1 3.61Å; E64-R68 PolarHBondContact OE2-NH1 3.29Å; E64-R76 HydrophobicContact CB-CG 3.88Å; E64-S106 PolarHBondContact N-OG 3.48Å; E64-S106 VanDerWaalsContact N-OG 3.17Å; E64-S106 VanDerWaalsContact O-CB 3.31Å; E64-S106 WeakPolarHBondContact O-CB 3.03Å
65S95.1Very high89.5Confident1 Ų159.3 Ų59.31%0.00729%0.293CS..  trans-71.8158.7175.485.90000111.4N27 F67 R68 A75 R76N27-S65 VanDerWaalsContact OD1-CA 3.32Å; N27-S65 WeakPolarHBondContact OD1-CA 3.07Å; N27-S65 WeakPolarHBondContact OD1-CB 3.49Å; S65-F67 PolarHBondContact O-N 3.17Å; S65-F67 WeakPolarHBondContact OG-CB 3.26Å; S65-F67 WeakPolarHBondContact OG-CD2 3.25Å; S65-F67 PolarHBondContact OG-N 3.08Å; S65-F67 VanDerWaalsContact OG-N 3.15Å; S65-R68 WeakPolarHBondContact O-CB 3.03Å; S65-R68 PolarHBondContact O-N 3.12Å; S65-A75 PolarHBondContact OG-O 3.47Å; S65-R76 WeakPolarHBondContact CB-O 3.23Å; S65-R76 PolarHBondContact N-O 3.27Å; S65-R76 PolarHBondContact OG-O 3.47Å
66I94Very high89.5Confident1 Ų164 Ų641%0.00531%0.311CS..Hα-helixtrans-58.8-29.3171.3-166.770.8000111.7N27 K30 L31 R68 R69 L172N27-I66 HydrophobicContact CB-CG2 4.34Å; N27-I66 PolarHBondContact OD1-N 3.37Å; K30-I66 HydrophobicContact CB-CB 4.17Å; K30-I66 HydrophobicContact CB-CD1 4.02Å; K30-I66 HydrophobicContact CB-CG1 3.62Å; K30-I66 HydrophobicContact CB-CG2 4.21Å; L31-I66 HydrophobicContact CD2-CB 4.15Å; L31-I66 HydrophobicContact CD2-CD1 4.17Å; L31-I66 HydrophobicContact CG-CB 4.17Å; I66-R68 PolarHBondContact O-N 2.7Å; I66-R69 WeakPolarHBondContact O-CB 3.45Å; I66-R69 PolarHBondContact O-N 2.63Å; I66-L172 HydrophobicContact CD1-CD1 4.21Å; I66-L172 HydrophobicContact CD1-CD2 3.98Å; I66-L172 HydrophobicContact CG1-CD1 3.86Å; I66-L172 HydrophobicContact CG1-CD2 4.36Å
67F93.3Very high89.8Confident19 Ų1964.6 Ų64.68%0.08331%0.307CS..Hα-helixtrans-64.8-24.1-176-54.6-62.6000112.2R23 N27 S65 R69 I70 Y71 A75 F78R23-F67 HydrophobicContact CG-CE2 3.98Å; R23-F67 HydrophobicContact CG-CZ 3.72Å; N27-F67 HydrophobicContact CB-CE2 3.96Å; N27-F67 HydrophobicContact CB-CZ 4.29Å; S65-F67 PolarHBondContact O-N 3.17Å; S65-F67 WeakPolarHBondContact OG-CB 3.26Å; S65-F67 WeakPolarHBondContact OG-CD2 3.25Å; S65-F67 PolarHBondContact OG-N 3.08Å; S65-F67 VanDerWaalsContact OG-N 3.15Å; F67-R69 VanDerWaalsContact C-N 3.26Å; F67-R69 PolarHBondContact O-N 3.01Å; F67-I70 HydrophobicContact CD1-CD1 4.17Å; F67-I70 PolarHBondContact O-N 3.24Å; F67-Y71 HydrophobicContact CB-CD2 3.94Å; F67-Y71 HydrophobicContact CB-CE2 4.23Å; F67-Y71 AromaticContact CD1-CE2 3.99Å; F67-Y71 HydrophobicContact CD1-CE2 3.99Å; F67-Y71 HydrophobicContact CG-CE2 4.49Å; F67-Y71 PolarHBondContact O-N 2.86Å; F67-A75 HydrophobicContact CB-CB 3.94Å; F67-A75 WeakPolarHBondContact O-CB 3.32Å; F67-F78 HydrophobicContact CD2-CB 4.05Å; F67-F78 AromaticContact CD2-CD1 3.6Å; F67-F78 HydrophobicContact CD2-CD1 3.6Å; F67-F78 HydrophobicContact CD2-CD2 4.44Å; F67-F78 HydrophobicContact CD2-CE1 4.12Å; F67-F78 AromaticContact CD2-CG 3.78Å; F67-F78 HydrophobicContact CD2-CG 3.78Å; F67-F78 HydrophobicContact CE2-CB 4.35Å; F67-F78 AromaticContact CE2-CD1 3.66Å; F67-F78 HydrophobicContact CE2-CD1 3.66Å; F67-F78 AromaticContact CE2-CD2 3.91Å; F67-F78 HydrophobicContact CE2-CD2 3.91Å; F67-F78 AromaticContact CE2-CE1 3.82Å; F67-F78 HydrophobicContact CE2-CE1 3.82Å; F67-F78 HydrophobicContact CE2-CE2 4.03Å; F67-F78 AromaticContact CE2-CG 3.7Å; F67-F78 HydrophobicContact CE2-CG 3.7Å; F67-F78 AromaticContact CE2-CZ 3.99Å; F67-F78 HydrophobicContact CE2-CZ 3.99Å
68R92.5Very high90.2Very high85 Ų8558.7 Ų58.732%0.32128%0.276SS..Hα-helixtrans-57.2-42.2171.6-162.8-167.7165-125.8-5.2111.9E64 S65 I66 I70 G72 D73 A75 R76E64-R68 VanDerWaalsContact CD-CD 3.41Å; E64-R68 VanDerWaalsContact CD-NH1 3.34Å; E64-R68 IonicContact OE1-NH1 2.74Å; E64-R68 PolarHBondContact OE1-NH1 3.1Å; E64-R68 WeakPolarHBondContact OE2-CD 3.4Å; E64-R68 IonicContact OE2-CZ 3.37Å; E64-R68 IonicContact OE2-NE 3.96Å; E64-R68 PolarHBondContact OE2-NE 3.42Å; E64-R68 IonicContact OE2-NH1 3.61Å; E64-R68 PolarHBondContact OE2-NH1 3.29Å; S65-R68 WeakPolarHBondContact O-CB 3.03Å; S65-R68 PolarHBondContact O-N 3.12Å; I66-R68 PolarHBondContact O-N 2.7Å; R68-I70 PolarHBondContact O-N 2.88Å; R68-G72 WeakPolarHBondContact CA-O 3.23Å; R68-G72 WeakPolarHBondContact CG-O 3.44Å; R68-G72 CarbonylContact O-C 3.59Å; R68-G72 VanDerWaalsContact O-CA 3.22Å; R68-G72 WeakPolarHBondContact O-CA 3.4Å; R68-G72 PolarHBondContact O-N 2.86Å; R68-D73 IonicContact CZ-OD1 2.9Å; R68-D73 IonicContact NE-OD1 3.75Å; R68-D73 PolarHBondContact NE-OD1 2.82Å; R68-D73 IonicContact NH2-OD1 2.66Å; R68-D73 PolarHBondContact NH2-OD1 2.86Å; R68-A75 PolarHBondContact N-O 3.21Å; R68-A75 VanDerWaalsContact N-O 3.14Å; R68-R76 HydrophobicContact CG-CB 4.3Å
69R89.4Confident90.7Very high124 Ų12464.8 Ų64.847%0.46830%0.302SS..Hα-helixtrans-70.1-20179-65.2-17563.9-179.2-2.1113.1I66 F67 L172I66-R69 WeakPolarHBondContact O-CB 3.45Å; I66-R69 PolarHBondContact O-N 2.63Å; F67-R69 VanDerWaalsContact C-N 3.26Å; F67-R69 PolarHBondContact O-N 3.01Å; R69-L172 HydrophobicContact CB-CD2 4.02Å
70I89.2Confident91.2Very high46 Ų4662.1 Ų62.124%0.23629%0.285CS..Hα-helixtrans-95.2-45.4-177.3-55.1169.6000110.7F67 R68 P169 L172F67-I70 HydrophobicContact CD1-CD1 4.17Å; F67-I70 PolarHBondContact O-N 3.24Å; R68-I70 PolarHBondContact O-N 2.88Å; I70-P169 HydrophobicContact CD1-CB 3.64Å; I70-P169 HydrophobicContact CD1-CG 3.73Å; I70-P169 HydrophobicContact CG1-CB 4.32Å; I70-L172 HydrophobicContact CD1-CD1 3.81Å; I70-L172 HydrophobicContact CG1-CD1 3.82Å; I70-L172 HydrophobicContact CG1-CG 4.09Å
71Y90.9Very high91.7Very high146 Ų14662.7 Ų62.757%0.57328%0.281SS*.Hα-helixtrans-111.3-17.3-170.3-54.2-60.8000113.8F67 Q74 A75F67-Y71 HydrophobicContact CB-CD2 3.94Å; F67-Y71 HydrophobicContact CB-CE2 4.23Å; F67-Y71 AromaticContact CD1-CE2 3.99Å; F67-Y71 HydrophobicContact CD1-CE2 3.99Å; F67-Y71 HydrophobicContact CG-CE2 4.49Å; F67-Y71 PolarHBondContact O-N 2.86Å; Y71-Q74 PolarHBondContact O-NE2 2.88Å; Y71-Q74 PolarHBondContact O-OE1 3.45Å; Y71-A75 HydrophobicContact CD2-CB 4.14Å
72G90.6Very high92Very high27 Ų2757 Ų5728%0.27827%0.268SS..  trans108-173.9-177.300000113.9R68 Q74 A75R68-G72 WeakPolarHBondContact CA-O 3.23Å; R68-G72 WeakPolarHBondContact CG-O 3.44Å; R68-G72 CarbonylContact O-C 3.59Å; R68-G72 VanDerWaalsContact O-CA 3.22Å; R68-G72 WeakPolarHBondContact O-CA 3.4Å; R68-G72 PolarHBondContact O-N 2.86Å; G72-Q74 VanDerWaalsContact C-N 3.25Å; G72-Q74 VanDerWaalsContact C-OE1 3.24Å; G72-Q74 PolarHBondContact O-N 2.85Å; G72-A75 PolarHBondContact O-N 2.87Å
73D89.8Confident92.2Very high110 Ų11063.2 Ų63.259%0.58830%0.3SS*.G310 helixtrans-59-30.2-171.5-73.6-33.9000114.6R68 A75 R76R68-D73 IonicContact CZ-OD1 2.9Å; R68-D73 IonicContact NE-OD1 3.75Å; R68-D73 PolarHBondContact NE-OD1 2.82Å; R68-D73 IonicContact NH2-OD1 2.66Å; R68-D73 PolarHBondContact NH2-OD1 2.86Å; D73-A75 PolarHBondContact O-N 2.86Å; D73-R76 VanDerWaalsContact O-CB 3.25Å; D73-R76 WeakPolarHBondContact O-CB 3.25Å; D73-R76 PolarHBondContact O-N 3.28Å
74Q89.8Confident92.3Very high148 Ų14865.6 Ų65.669%0.69231%0.314SS*.G310 helixtrans-64.6-20.2176.476.8-75.15.800113.2Y71 G72Y71-Q74 PolarHBondContact O-NE2 2.88Å; Y71-Q74 PolarHBondContact O-OE1 3.45Å; G72-Q74 VanDerWaalsContact C-N 3.25Å; G72-Q74 VanDerWaalsContact C-OE1 3.24Å; G72-Q74 PolarHBondContact O-N 2.85Å
75A91.1Very high92.3Very high14 Ų1468.5 Ų68.512%0.11634%0.336CS..G310 helixtrans-100.420.1176.300000112.3S65 F67 R68 Y71 G72 D73 Y77S65-A75 PolarHBondContact OG-O 3.47Å; F67-A75 HydrophobicContact CB-CB 3.94Å; F67-A75 WeakPolarHBondContact O-CB 3.32Å; R68-A75 PolarHBondContact N-O 3.21Å; R68-A75 VanDerWaalsContact N-O 3.14Å; Y71-A75 HydrophobicContact CD2-CB 4.14Å; G72-A75 PolarHBondContact O-N 2.87Å; D73-A75 PolarHBondContact O-N 2.86Å; A75-Y77 PolarHBondContact O-N 2.9Å
76R92.4Very high92.2Very high98 Ų9870.2 Ų70.237%0.3735%0.345SS..SBendtrans-53.6-40.8173.3-178.2173.8177.9-171.8-3.8112.1E64 S65 R68 D73E64-R76 HydrophobicContact CB-CG 3.88Å; S65-R76 WeakPolarHBondContact CB-O 3.23Å; S65-R76 PolarHBondContact N-O 3.27Å; S65-R76 PolarHBondContact OG-O 3.47Å; R68-R76 HydrophobicContact CG-CB 4.3Å; D73-R76 VanDerWaalsContact O-CB 3.25Å; D73-R76 WeakPolarHBondContact O-CB 3.25Å; D73-R76 PolarHBondContact O-N 3.28Å
77Y95.3Very high92.2Very high64 Ų6477.8 Ų77.825%0.25137%0.373SS..SBendtrans-121.2159.9172-53.5-67.5000109.7A75 N99 M103 I104A75-Y77 PolarHBondContact O-N 2.9Å; Y77-N99 WeakPolarHBondContact CD1-ND2 3.48Å; Y77-N99 WeakPolarHBondContact CE1-ND2 3.47Å; Y77-M103 VanDerWaalsContact C-CE 3.44Å; Y77-M103 WeakPolarHBondContact O-CE 3.42Å; Y77-I104 VanDerWaalsContact CA-O 3.32Å; Y77-I104 WeakPolarHBondContact CA-O 3.37Å
78F94.6Very high92.2Very high4 Ų477 Ų772%0.01837%0.37CS..EExtended strand (participates in β ladder)trans-135.6158.6174.367.4-77.2000111.2R23 N27 F67 M103 I104R23-F78 HydrophobicContact CB-CE2 4.37Å; R23-F78 HydrophobicContact CG-CD2 3.88Å; R23-F78 HydrophobicContact CG-CE2 3.83Å; N27-F78 HydrophobicContact CB-CE1 3.82Å; N27-F78 HydrophobicContact CB-CZ 3.66Å; N27-F78 VanDerWaalsContact CG-CE1 3.49Å; F67-F78 HydrophobicContact CD2-CB 4.05Å; F67-F78 AromaticContact CD2-CD1 3.6Å; F67-F78 HydrophobicContact CD2-CD1 3.6Å; F67-F78 HydrophobicContact CD2-CD2 4.44Å; F67-F78 HydrophobicContact CD2-CE1 4.12Å; F67-F78 AromaticContact CD2-CG 3.78Å; F67-F78 HydrophobicContact CD2-CG 3.78Å; F67-F78 HydrophobicContact CE2-CB 4.35Å; F67-F78 AromaticContact CE2-CD1 3.66Å; F67-F78 HydrophobicContact CE2-CD1 3.66Å; F67-F78 AromaticContact CE2-CD2 3.91Å; F67-F78 HydrophobicContact CE2-CD2 3.91Å; F67-F78 AromaticContact CE2-CE1 3.82Å; F67-F78 HydrophobicContact CE2-CE1 3.82Å; F67-F78 HydrophobicContact CE2-CE2 4.03Å; F67-F78 AromaticContact CE2-CG 3.7Å; F67-F78 HydrophobicContact CE2-CG 3.7Å; F67-F78 AromaticContact CE2-CZ 3.99Å; F67-F78 HydrophobicContact CE2-CZ 3.99Å; F78-M103 WeakPolarHBondContact O-CA 3.47Å; F78-I104 HydrophobicContact CD1-CG1 4.06Å; F78-I104 VanDerWaalsContact CD1-O 3.29Å; F78-I104 WeakPolarHBondContact CD1-O 3.31Å; F78-I104 HydrophobicContact CD2-CD1 4.12Å; F78-I104 HydrophobicContact CD2-CG1 3.98Å; F78-I104 HydrophobicContact CE1-CD1 4Å; F78-I104 HydrophobicContact CE1-CG1 3.72Å; F78-I104 HydrophobicContact CE2-CD1 3.36Å; F78-I104 HydrophobicContact CE2-CG1 3.67Å; F78-I104 HydrophobicContact CG-CG1 4.19Å; F78-I104 HydrophobicContact CZ-CD1 3.29Å; F78-I104 HydrophobicContact CZ-CG1 3.53Å; F78-I104 PolarHBondContact N-O 3.46Å; F78-I104 VanDerWaalsContact O-CG1 3.29Å; F78-I104 WeakPolarHBondContact O-CG1 3.11Å; F78-I104 PolarHBondContact O-N 3.18Å
79E94.9Very high92.2Very high135 Ų13575.6 Ų75.663%0.63137%0.371SS*.EExtended strand (participates in β ladder)trans-65133.4-178.9-172177.3-168.800111.6
80M94.3Very high92.4Very high11 Ų1174.7 Ų74.75%0.05437%0.37CS..PPolyproline II helixtrans-63.9133.1175.9173.5175.2-49.600112T82 N98 N102 I104 K122 C124M80-T82 HydrophobicContact CG-CG2 4.44Å; M80-N98 HydrophobicContact CE-CB 3.72Å; M80-N102 HydrophobicContact CB-CB 4.33Å; M80-N102 VanDerWaalsContact CB-O 3.32Å; M80-N102 WeakPolarHBondContact CB-O 3.35Å; M80-N102 PolarHBondContact N-O 3.08Å; M80-I104 HydrophobicContact CB-CG2 4.21Å; M80-I104 HydrophobicContact CE-CG2 3.6Å; M80-K122 WeakPolarHBondContact CE-O 3.47Å; M80-C124 HydrophobicContact CE-CB 3.86Å; M80-C124 HydrophobicContact CG-CB 3.63Å; M80-C124 HydrophobicContact SD-CB 3.77Å
81E94.8Very high92.7Very high40 Ų4075.3 Ų75.319%0.18737%0.374CS..PPolyproline II helixtrans-76125.4167.6-66.1172.6120.400109.6R21 P22 R23 A24R21-E81 WeakPolarHBondContact CA-OE2 3.27Å; R21-E81 PolarHBondContact NE-O 3.5Å; R21-E81 PolarHBondContact NH1-O 3.29Å; R21-E81 PolarHBondContact NH2-O 3.28Å; P22-E81 WeakPolarHBondContact CD-OE1 3.45Å; P22-E81 WeakPolarHBondContact CG-OE1 3.28Å; R23-E81 VanDerWaalsContact CB-CD 3.49Å; R23-E81 HydrophobicContact CB-CG 4.24Å; R23-E81 WeakPolarHBondContact CB-OE1 3.29Å; R23-E81 WeakPolarHBondContact CB-OE2 3.5Å; R23-E81 PolarHBondContact N-OE1 3.48Å; R23-E81 VanDerWaalsContact N-OE1 3.11Å; R23-E81 PolarHBondContact N-OE2 3.26Å; A24-E81 PolarHBondContact N-OE2 3.09Å
82T90.3Very high93Very high78 Ų7868.4 Ų68.448%0.47935%0.347SS..  trans-106-24.1-177.955.10000113.2R21 M80 P84R21-T82 PolarHBondContact NH1-O 3.47Å; R21-T82 PolarHBondContact NH2-O 2.96Å; M80-T82 HydrophobicContact CG-CG2 4.44Å; T82-P84 CarbonylContact O-C 3.52Å
83L90.1Very high93.4Very high134 Ų13467.3 Ų67.370%0.70233%0.334SS*.  trans-109.4140.2-178.6-61.6176.3000113.2R21R21-L83 PolarHBondContact NH1-O 3.34Å
84P93.4Very high93.7Very high58 Ų5862 Ų6238%0.37731%0.306SS..SBendcis-67158.5-7.931.2-35.5000111.8E20 R21 T82 I86E20-P84 HydrophobicContact CB-CG 3.76Å; E20-P84 HydrophobicContact CG-CG 3.82Å; R21-P84 PolarHBondContact NH1-O 3.16Å; R21-P84 PolarHBondContact NH2-O 2.91Å; T82-P84 CarbonylContact O-C 3.52Å; P84-I86 PolarHBondContact O-N 3.35Å
85P91.9Very high94.1Very high96 Ų9655 Ų5562%0.62327%0.274SS*.  trans-67.9119.3176.227.6-33000110
86I94.7Very high94.4Very high37 Ų3754.3 Ų54.319%0.1927%0.268CS..  trans-120.3133.8176.3-57170.2000107.1Y17 E20 R21 P84 V125Y17-I86 HydrophobicContact CD2-CD1 3.82Å; Y17-I86 HydrophobicContact CE2-CD1 4.38Å; Y17-I86 HydrophobicContact CE2-CG2 4.06Å; Y17-I86 HydrophobicContact CG-CD1 4.34Å; E20-I86 HydrophobicContact CB-CD1 4Å; E20-I86 HydrophobicContact CG-CD1 4.5Å; R21-I86 HydrophobicContact CG-CD1 4.22Å; P84-I86 PolarHBondContact O-N 3.35Å; I86-V125 HydrophobicContact CB-CB 4.13Å; I86-V125 HydrophobicContact CB-CG1 4.35Å; I86-V125 HydrophobicContact CG2-CB 3.8Å; I86-V125 HydrophobicContact CG2-CG1 3.51Å; I86-V125 HydrophobicContact CG2-CG2 4.41Å
87R92.9Very high94.5Very high160 Ų16050.5 Ų50.560%0.60426%0.255SS*.  trans-110.5149.2-172.2-63.2-171.2169.8136.3-2.3112.4T89 D120R87-T89 HydrophobicContact CB-CG2 3.84Å; R87-T89 PolarHBondContact O-N 3.47Å; R87-T89 PolarHBondContact O-OG1 2.97Å; R87-D120 VanDerWaalsContact CA-OD1 3.31Å; R87-D120 WeakPolarHBondContact CA-OD1 3.32Å; R87-D120 VanDerWaalsContact CB-OD2 3.3Å; R87-D120 WeakPolarHBondContact CB-OD2 3.01Å; R87-D120 WeakPolarHBondContact CD-OD2 3.25Å; R87-D120 WeakPolarHBondContact CG-OD2 3.2Å; R87-D120 IonicContact NE-OD2 3.33Å
88H94Very high94.3Very high1 Ų149 Ų491%0.00525%0.252CS..SBendtrans-76.860.2175.5-56.183.1000111.3S95 F109 T111 N115 I116 L119 D120 V125H88-S95 VanDerWaalsContact NE2-CB 3.34Å; H88-S95 WeakPolarHBondContact NE2-CB 2.9Å; H88-S95 PolarHBondContact NE2-OG 3.13Å; H88-F109 AromaticContact CD2-CE2 3.83Å; H88-F109 AromaticContact CD2-CZ 3.97Å; H88-F109 AromaticContact NE2-CE2 3.91Å; H88-F109 AromaticContact NE2-CZ 3.55Å; H88-T111 HydrophobicContact CB-CG2 4.47Å; H88-N115 CarbonylContact O-C 3.44Å; H88-I116 HydrophobicContact CB-CB 4.23Å; H88-I116 WeakPolarHBondContact CB-O 3.5Å; H88-I116 PolarHBondContact O-N 2.97Å; H88-L119 PolarHBondContact CE1-O 3.47Å; H88-L119 VanDerWaalsContact CE1-O 3.31Å; H88-D120 IonicContact CE1-OD1 3.47Å; H88-D120 IonicContact CG-OD1 3.68Å; H88-D120 PolarHBondContact N-OD1 3.04Å; H88-D120 IonicContact ND1-OD1 2.64Å; H88-D120 PolarHBondContact ND1-OD1 3.34Å; H88-V125 VanDerWaalsContact CE1-CG2 3.41Å; H88-V125 WeakPolarHBondContact CE1-CG2 3.5Å; H88-V125 VanDerWaalsContact NE2-CG2 3.29Å; H88-V125 WeakPolarHBondContact NE2-CG2 3.22Å
89T92.3Very high93.9Very high57 Ų5751.9 Ų51.935%0.3527%0.267SS..  trans-88.3-39.6-175.546.80000112.6R87 N115R87-T89 HydrophobicContact CB-CG2 3.84Å; R87-T89 PolarHBondContact O-N 3.47Å; R87-T89 PolarHBondContact O-OG1 2.97Å; T89-N115 PolarHBondContact O-N 3.46Å
90K94.1Very high93.3Very high105 Ų10547.2 Ų47.246%0.45726%0.255SS..SBendtrans-92.6147.8-173.5-64.2173.5176.9178.30111.8T93 T111 E128K90-T93 WeakPolarHBondContact O-CB 3.48Å; K90-T93 PolarHBondContact O-N 2.7Å; K90-T93 PolarHBondContact O-OG1 2.74Å; K90-T111 PolarHBondContact O-OG1 3.01Å; K90-E128 WeakPolarHBondContact CD-OE2 3.35Å; K90-E128 IonicContact NZ-OE1 2.67Å; K90-E128 IonicContact NZ-OE2 3.26Å; K90-E128 PolarHBondContact NZ-OE2 3.35Å
91L95.6Very high92.9Very high59 Ų5954.1 Ų54.131%0.30929%0.293SS..THydrogen-bonded Turntrans-65.5138.3163.2171.8147000109.7E114 F133 L136L91-E114 HydrophobicContact CB-CG 3.79Å; L91-F133 HydrophobicContact CD2-CD1 3.54Å; L91-F133 HydrophobicContact CD2-CE1 3.65Å; L91-L136 HydrophobicContact CD1-CD2 4.45Å; L91-L136 HydrophobicContact CD2-CD2 3.34Å; L91-L136 HydrophobicContact CG-CD2 3.68Å
92G96.7Very high92.6Very high0 Ų056 Ų560%030%0.304CS..THydrogen-bonded Turntrans79.214.4-174.100000114.8L94 T111 E128 L129G92-L94 PolarHBondContact O-N 3.04Å; G92-T111 PolarHBondContact N-O 2.96Å; G92-T111 PolarHBondContact N-OG1 3.37Å; G92-E128 CarbonylContact O-C 3.54Å; G92-L129 WeakPolarHBondContact O-CB 2.99Å; G92-L129 PolarHBondContact O-N 2.94Å
93T97.5Very high92.8Very high4 Ų455.1 Ų55.13%0.02530%0.295CS..EExtended strand (participates in β ladder)trans-65.9132.8173-60.70000109.8K90 V110 T111 V125K90-T93 WeakPolarHBondContact O-CB 3.48Å; K90-T93 PolarHBondContact O-N 2.7Å; K90-T93 PolarHBondContact O-OG1 2.74Å; T93-V110 WeakPolarHBondContact O-CA 3.44Å; T93-T111 WeakPolarHBondContact CB-OG1 3.48Å; T93-T111 PolarHBondContact N-OG1 3.37Å; T93-T111 PolarHBondContact O-N 3.37Å; T93-V125 HydrophobicContact CG2-CB 4.34Å; T93-V125 HydrophobicContact CG2-CG1 3.45Å; T93-V125 VanDerWaalsContact CG2-CG1 3.45Å; T93-V125 HydrophobicContact CG2-CG2 3.96Å
94L97.3Very high93Very high0 Ų048.8 Ų48.80%026%0.262CS..EExtended strand (participates in β ladder)trans-103.1123.9-179-17269.3000110.6F14 L16 F28 G92 F108 V110 F126 G127F14-L94 HydrophobicContact CB-CD2 4.14Å; F14-L94 HydrophobicContact CD1-CB 4.07Å; F14-L94 HydrophobicContact CD1-CD1 4.38Å; F14-L94 HydrophobicContact CD1-CD2 4.04Å; F14-L94 HydrophobicContact CD1-CG 4.4Å; F14-L94 HydrophobicContact CD2-CD2 4.45Å; F14-L94 HydrophobicContact CE1-CB 4.3Å; F14-L94 HydrophobicContact CE1-CD1 4.14Å; F14-L94 HydrophobicContact CG-CD2 3.96Å; F14-L94 HydrophobicContact CZ-CD1 4.29Å; L16-L94 HydrophobicContact CD2-CD2 4Å; F28-L94 HydrophobicContact CE1-CD2 4.32Å; F28-L94 HydrophobicContact CZ-CD2 4.16Å; G92-L94 PolarHBondContact O-N 3.04Å; L94-F108 HydrophobicContact CD1-CD2 3.47Å; L94-F108 VanDerWaalsContact CD1-CD2 3.47Å; L94-F108 HydrophobicContact CD1-CE2 3.86Å; L94-F108 HydrophobicContact CD1-CG 4.31Å; L94-V110 HydrophobicContact CD1-CG2 3.77Å; L94-F126 HydrophobicContact CD1-CZ 4.28Å; L94-F126 HydrophobicContact CD2-CD2 4.23Å; L94-F126 HydrophobicContact CD2-CE1 4.22Å; L94-F126 HydrophobicContact CD2-CE2 3.39Å; L94-F126 HydrophobicContact CD2-CZ 3.4Å; L94-F126 VanDerWaalsContact CD2-CZ 3.4Å; L94-F126 HydrophobicContact CG-CE1 3.8Å; L94-F126 HydrophobicContact CG-CE2 3.92Å; L94-F126 HydrophobicContact CG-CZ 3.45Å; L94-F126 VanDerWaalsContact CG-CZ 3.45Å; L94-F126 PolarHBondContact O-N 2.85Å; L94-G127 PolarHBondContact N-O 3.09Å; L94-G127 PolarHBondContact O-N 2.92Å
95S97.6Very high93Very high0 Ų046 Ų460%024%0.244CC..EExtended strand (participates in β ladder)trans-142.7138.5-171.5-1680000113H88 F108 F109 H123 C124 V125H88-S95 VanDerWaalsContact NE2-CB 3.34Å; H88-S95 WeakPolarHBondContact NE2-CB 2.9Å; H88-S95 PolarHBondContact NE2-OG 3.13Å; S95-F108 CarbonylContact O-C 3.6Å; S95-F108 WeakPolarHBondContact O-CA 3.49Å; S95-F108 WeakPolarHBondContact O-CB 3.47Å; S95-F109 VanDerWaalsContact CB-CZ 3.45Å; S95-F109 PolarHBondContact N-O 2.86Å; S95-F109 PolarHBondContact O-N 3.19Å; S95-H123 WeakPolarHBondContact OG-CB 3.31Å; S95-C124 CarbonylContact C-O 3.52Å; S95-C124 VanDerWaalsContact CA-O 3.26Å; S95-C124 WeakPolarHBondContact CA-O 3.5Å; S95-C124 PolarHBondContact OG-N 2.9Å; S95-C124 PolarHBondContact OG-O 2.79Å; S95-V125 PolarHBondContact OG-N 2.85Å
96F97.5Very high93.3Very high0 Ų041.5 Ų41.50%022%0.215CC..EExtended strand (participates in β ladder)trans-78.7139.9175.1-80-69.4000111.3A24 N27 F28 I104 Q107 F108 H123 C124 F126A24-F96 HydrophobicContact CB-CD2 4.03Å; A24-F96 HydrophobicContact CB-CE2 3.95Å; A24-F96 WeakPolarHBondContact O-CE2 3.16Å; N27-F96 WeakPolarHBondContact ND2-CZ 3.47Å; F28-F96 HydrophobicContact CB-CE2 4.29Å; F28-F96 HydrophobicContact CB-CZ 3.81Å; F28-F96 HydrophobicContact CD2-CE1 4.4Å; F28-F96 AromaticContact CD2-CZ 3.98Å; F28-F96 HydrophobicContact CD2-CZ 3.98Å; F28-F96 HydrophobicContact CG-CZ 4.36Å; F96-I104 HydrophobicContact CB-CB 4.22Å; F96-I104 HydrophobicContact CB-CD1 4.44Å; F96-I104 HydrophobicContact CB-CG2 4.06Å; F96-I104 HydrophobicContact CD2-CD1 4.3Å; F96-Q107 WeakPolarHBondContact CD1-O 3.44Å; F96-F108 HydrophobicContact CD1-CB 4.03Å; F96-F108 HydrophobicContact CE1-CB 4.36Å; F96-H123 WeakPolarHBondContact O-CB 3.45Å; F96-H123 PolarHBondContact O-ND1 3.38Å; F96-C124 HydrophobicContact CB-CB 4.19Å; F96-C124 PolarHBondContact N-O 3.08Å; F96-C124 PolarHBondContact O-N 2.81Å; F96-F126 HydrophobicContact CB-CD1 4.48Å; F96-F126 HydrophobicContact CB-CE1 4.38Å; F96-F126 HydrophobicContact CD1-CE1 4.13Å; F96-F126 AromaticContact CD2-CD1 3.21Å; F96-F126 HydrophobicContact CD2-CD1 3.21Å; F96-F126 HydrophobicContact CD2-CD2 4.5Å; F96-F126 AromaticContact CD2-CE1 3.28Å; F96-F126 HydrophobicContact CD2-CE1 3.28Å; F96-F126 AromaticContact CD2-CG 3.87Å; F96-F126 HydrophobicContact CD2-CG 3.87Å; F96-F126 AromaticContact CD2-CZ 3.99Å; F96-F126 HydrophobicContact CD2-CZ 3.99Å; F96-F126 HydrophobicContact CE1-CE1 4.24Å; F96-F126 HydrophobicContact CE1-CZ 4.27Å; F96-F126 AromaticContact CE2-CD1 3.52Å; F96-F126 HydrophobicContact CE2-CD1 3.52Å; F96-F126 HydrophobicContact CE2-CD2 4Å; F96-F126 AromaticContact CE2-CE1 3.42Å; F96-F126 HydrophobicContact CE2-CE1 3.42Å; F96-F126 VanDerWaalsContact CE2-CE1 3.42Å; F96-F126 AromaticContact CE2-CE2 3.92Å; F96-F126 HydrophobicContact CE2-CE2 3.92Å; F96-F126 AromaticContact CE2-CG 3.81Å; F96-F126 HydrophobicContact CE2-CG 3.81Å; F96-F126 AromaticContact CE2-CZ 3.61Å; F96-F126 HydrophobicContact CE2-CZ 3.61Å; F96-F126 AromaticContact CG-CD1 3.94Å; F96-F126 HydrophobicContact CG-CD1 3.94Å; F96-F126 AromaticContact CG-CE1 3.66Å; F96-F126 HydrophobicContact CG-CE1 3.66Å; F96-F126 HydrophobicContact CG-CZ 4.46Å; F96-F126 HydrophobicContact CZ-CD1 4.45Å; F96-F126 AromaticContact CZ-CE1 3.92Å; F96-F126 HydrophobicContact CZ-CE1 3.92Å; F96-F126 HydrophobicContact CZ-CE2 4.23Å; F96-F126 AromaticContact CZ-CZ 3.78Å; F96-F126 HydrophobicContact CZ-CZ 3.78Å
97V94.6Very high93.4Very high17 Ų1740 Ų4010%0.10321%0.207CC..EExtended strand (participates in β ladder)trans-71.7134.7172.2-177.70000109.2I104 Q107 F109V97-I104 WeakPolarHBondContact O-CG2 3.45Å; V97-Q107 HydrophobicContact CB-CB 4.01Å; V97-Q107 HydrophobicContact CG2-CB 4.08Å; V97-Q107 PolarHBondContact N-O 2.77Å; V97-F109 HydrophobicContact CG2-CD1 3.81Å; V97-F109 HydrophobicContact CG2-CE1 4.47Å
98N92Very high93.6Very high32 Ų3232.5 Ų32.517%0.17118%0.179CC..EExtended strand (participates in β ladder)trans-89.7119.9173.7-175-9.9000108.1M80 G100 N102 M103 K122 H123M80-N98 HydrophobicContact CE-CB 3.72Å; N98-G100 PolarHBondContact O-N 3.25Å; N98-G100 PolarHBondContact OD1-N 2.96Å; N98-G100 VanDerWaalsContact OD1-N 3.09Å; N98-G100 PolarHBondContact OD1-O 3.41Å; N98-N102 WeakPolarHBondContact ND2-CA 3.38Å; N98-N102 PolarHBondContact ND2-OD1 3.42Å; N98-N102 VanDerWaalsContact ND2-OD1 3.13Å; N98-N102 VanDerWaalsContact OD1-CA 3.28Å; N98-N102 WeakPolarHBondContact OD1-CA 3.49Å; N98-N102 PolarHBondContact OD1-N 2.72Å; N98-M103 PolarHBondContact OD1-N 3.03Å; N98-K122 WeakPolarHBondContact CB-O 3.38Å; N98-K122 PolarHBondContact ND2-O 2.86Å; N98-H123 PolarHBondContact N-ND1 2.87Å; N98-H123 VanDerWaalsContact N-ND1 3.19Å
99N84.5Confident93.7Very high65 Ų6532.5 Ų32.535%0.34818%0.179SC..  trans-86.818.3-178-65.1-34.5000112.7Y77 M103Y77-N99 WeakPolarHBondContact CD1-ND2 3.48Å; Y77-N99 WeakPolarHBondContact CE1-ND2 3.47Å; N99-M103 PolarHBondContact N-O 2.94Å
100G82.6Confident94Very high37 Ų3729.8 Ų29.838%0.38116%0.162SC..SBendtrans99.5154.8-17100000112.1N98 N102 M103N98-G100 PolarHBondContact O-N 3.25Å; N98-G100 PolarHBondContact OD1-N 2.96Å; N98-G100 VanDerWaalsContact OD1-N 3.09Å; N98-G100 PolarHBondContact OD1-O 3.41Å; G100-N102 PolarHBondContact O-N 2.68Å; G100-M103 WeakPolarHBondContact O-CB 3.47Å; G100-M103 PolarHBondContact O-N 3.28Å
101D85.6Confident94.1Very high157 Ų15724.8 Ų24.884%0.8414%0.14SC*.THydrogen-bonded Turntrans52.328.4179.4-62.2-36.8000114.9M103D101-M103 HydrophobicContact CB-CG 4.37Å; D101-M103 PolarHBondContact O-N 2.91Å
102N90.1Very high94.1Very high78 Ų7822.1 Ų22.142%0.41713%0.126SC..THydrogen-bonded Turntrans60.830.2-176.6-59.4-28.6000113.8M80 N98 G100M80-N102 HydrophobicContact CB-CB 4.33Å; M80-N102 VanDerWaalsContact CB-O 3.32Å; M80-N102 WeakPolarHBondContact CB-O 3.35Å; M80-N102 PolarHBondContact N-O 3.08Å; N98-N102 WeakPolarHBondContact ND2-CA 3.38Å; N98-N102 PolarHBondContact ND2-OD1 3.42Å; N98-N102 VanDerWaalsContact ND2-OD1 3.13Å; N98-N102 VanDerWaalsContact OD1-CA 3.28Å; N98-N102 WeakPolarHBondContact OD1-CA 3.49Å; N98-N102 PolarHBondContact OD1-N 2.72Å; G100-N102 PolarHBondContact O-N 2.68Å
103M93.7Very high94Very high61 Ų6124 Ų2430%0.314%0.14SC..EExtended strand (participates in β ladder)trans-100.9125.4179.8-63.8-60.6-70.800110.7Y77 F78 N98 N99 G100 D101Y77-M103 VanDerWaalsContact C-CE 3.44Å; Y77-M103 WeakPolarHBondContact O-CE 3.42Å; F78-M103 WeakPolarHBondContact O-CA 3.47Å; N98-M103 PolarHBondContact OD1-N 3.03Å; N99-M103 PolarHBondContact N-O 2.94Å; G100-M103 WeakPolarHBondContact O-CB 3.47Å; G100-M103 PolarHBondContact O-N 3.28Å; D101-M103 HydrophobicContact CB-CG 4.37Å; D101-M103 PolarHBondContact O-N 2.91Å
104I94.4Very high93.8Very high0 Ų029.6 Ų29.60%017%0.165CC..EExtended strand (participates in β ladder)trans-113.9148.4-179.255170.8000111.5A24 Y77 F78 M80 F96 V97 C124A24-I104 HydrophobicContact CB-CD1 4.4Å; Y77-I104 VanDerWaalsContact CA-O 3.32Å; Y77-I104 WeakPolarHBondContact CA-O 3.37Å; F78-I104 HydrophobicContact CD1-CG1 4.06Å; F78-I104 VanDerWaalsContact CD1-O 3.29Å; F78-I104 WeakPolarHBondContact CD1-O 3.31Å; F78-I104 HydrophobicContact CD2-CD1 4.12Å; F78-I104 HydrophobicContact CD2-CG1 3.98Å; F78-I104 HydrophobicContact CE1-CD1 4Å; F78-I104 HydrophobicContact CE1-CG1 3.72Å; F78-I104 HydrophobicContact CE2-CD1 3.36Å; F78-I104 HydrophobicContact CE2-CG1 3.67Å; F78-I104 HydrophobicContact CG-CG1 4.19Å; F78-I104 HydrophobicContact CZ-CD1 3.29Å; F78-I104 HydrophobicContact CZ-CG1 3.53Å; F78-I104 PolarHBondContact N-O 3.46Å; F78-I104 VanDerWaalsContact O-CG1 3.29Å; F78-I104 WeakPolarHBondContact O-CG1 3.11Å; F78-I104 PolarHBondContact O-N 3.18Å; M80-I104 HydrophobicContact CB-CG2 4.21Å; M80-I104 HydrophobicContact CE-CG2 3.6Å; F96-I104 HydrophobicContact CB-CB 4.22Å; F96-I104 HydrophobicContact CB-CD1 4.44Å; F96-I104 HydrophobicContact CB-CG2 4.06Å; F96-I104 HydrophobicContact CD2-CD1 4.3Å; V97-I104 WeakPolarHBondContact O-CG2 3.45Å; I104-C124 HydrophobicContact CD1-CB 4.35Å
105G94.5Very high93.6Very high1 Ų134.3 Ų34.31%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-123.8-121.4-177.500000112N27N27-G105 PolarHBondContact ND2-O 3.14Å
106S96.4Very high93.3Very high0 Ų034.6 Ų34.60%019%0.192CC..EExtended strand (participates in β ladder)trans-106.2-17.9173.858.10000114Y36 Y37 G54 G63 E64 F108Y36-S106 WeakPolarHBondContact CE1-OG 3.48Å; Y37-S106 VanDerWaalsContact CE1-O 3.29Å; Y37-S106 WeakPolarHBondContact CE1-O 3.48Å; Y37-S106 PolarHBondContact OH-O 3.41Å; G54-S106 CarbonylContact O-C 3.59Å; G54-S106 WeakPolarHBondContact O-CB 3.1Å; G54-S106 PolarHBondContact O-OG 2.67Å; G63-S106 WeakPolarHBondContact CA-OG 3.34Å; E64-S106 PolarHBondContact N-OG 3.48Å; E64-S106 VanDerWaalsContact N-OG 3.17Å; E64-S106 VanDerWaalsContact O-CB 3.31Å; E64-S106 WeakPolarHBondContact O-CB 3.03Å; S106-F108 WeakPolarHBondContact O-CD1 3.33Å
107Q97Very high92.8Very high6 Ų637.8 Ų37.83%0.02821%0.212CC..EExtended strand (participates in β ladder)trans-69.6130.6-177.1-68.4-167.632.900111.3S53 D55 G60 G62 F96 V97S53-Q107 WeakPolarHBondContact O-CA 3.26Å; D55-Q107 HydrophobicContact CB-CG 4.08Å; G60-Q107 PolarHBondContact O-NE2 3.17Å; G60-Q107 PolarHBondContact O-OE1 2.96Å; G62-Q107 PolarHBondContact O-NE2 3.13Å; F96-Q107 WeakPolarHBondContact CD1-O 3.44Å; V97-Q107 HydrophobicContact CB-CB 4.01Å; V97-Q107 HydrophobicContact CG2-CB 4.08Å; V97-Q107 PolarHBondContact N-O 2.77Å
108F97.5Very high92.5Very high3 Ų341 Ų411%0.01323%0.225CC..EExtended strand (participates in β ladder)trans-139.4164.3-18067.7-93.9000110.1F28 Y37 Q52 S53 L94 S95 F96 S106 V110 F126 I156F28-F108 AromaticContact CE2-CD1 3.92Å; F28-F108 HydrophobicContact CE2-CD1 3.92Å; F28-F108 AromaticContact CE2-CE1 3.82Å; F28-F108 HydrophobicContact CE2-CE1 3.82Å; F28-F108 HydrophobicContact CE2-CG 4.44Å; F28-F108 HydrophobicContact CE2-CZ 4.25Å; Y37-F108 AromaticContact CD1-CE1 3.96Å; Y37-F108 HydrophobicContact CD1-CE1 3.96Å; Y37-F108 AromaticContact CE1-CD1 3.98Å; Y37-F108 HydrophobicContact CE1-CD1 3.98Å; Y37-F108 AromaticContact CE1-CE1 3.69Å; Y37-F108 HydrophobicContact CE1-CE1 3.69Å; Y37-F108 HydrophobicContact CE2-CE1 4.49Å; Y37-F108 HydrophobicContact CG-CE1 4.5Å; Y37-F108 AromaticContact CZ-CE1 3.95Å; Q52-F108 WeakPolarHBondContact CA-O 3.45Å; S53-F108 PolarHBondContact N-O 2.81Å; S53-F108 PolarHBondContact O-N 2.67Å; L94-F108 HydrophobicContact CD1-CD2 3.47Å; L94-F108 VanDerWaalsContact CD1-CD2 3.47Å; L94-F108 HydrophobicContact CD1-CE2 3.86Å; L94-F108 HydrophobicContact CD1-CG 4.31Å; S95-F108 CarbonylContact O-C 3.6Å; S95-F108 WeakPolarHBondContact O-CA 3.49Å; S95-F108 WeakPolarHBondContact O-CB 3.47Å; F96-F108 HydrophobicContact CD1-CB 4.03Å; F96-F108 HydrophobicContact CE1-CB 4.36Å; S106-F108 WeakPolarHBondContact O-CD1 3.33Å; F108-V110 HydrophobicContact CE2-CG2 4.35Å; F108-F126 HydrophobicContact CB-CE1 4.24Å; F108-F126 HydrophobicContact CB-CZ 4.42Å; F108-I156 HydrophobicContact CZ-CD1 4.02Å
109F97.2Very high92.5Very high0 Ų039.5 Ų39.50%022%0.217CC..EExtended strand (participates in β ladder)trans-133.4155.6172.364.8-94.2000111.5V50 A51 Q52 H88 S95 V97 T111 L119 H123 M227V50-F109 HydrophobicContact CB-CB 4.14Å; V50-F109 HydrophobicContact CB-CD2 3.96Å; V50-F109 HydrophobicContact CB-CG 4.31Å; V50-F109 HydrophobicContact CG1-CD2 3.57Å; V50-F109 HydrophobicContact CG1-CE2 3.97Å; V50-F109 HydrophobicContact CG1-CG 4.3Å; V50-F109 HydrophobicContact CG2-CB 4.43Å; A51-F109 CarbonylContact O-C 3.57Å; A51-F109 WeakPolarHBondContact O-CA 3.19Å; Q52-F109 HydrophobicContact CB-CB 4.39Å; Q52-F109 HydrophobicContact CG-CB 3.9Å; H88-F109 AromaticContact CD2-CE2 3.83Å; H88-F109 AromaticContact CD2-CZ 3.97Å; H88-F109 AromaticContact NE2-CE2 3.91Å; H88-F109 AromaticContact NE2-CZ 3.55Å; S95-F109 VanDerWaalsContact CB-CZ 3.45Å; S95-F109 PolarHBondContact N-O 2.86Å; S95-F109 PolarHBondContact O-N 3.19Å; V97-F109 HydrophobicContact CG2-CD1 3.81Å; V97-F109 HydrophobicContact CG2-CE1 4.47Å; F109-T111 HydrophobicContact CD2-CG2 4.44Å; F109-T111 HydrophobicContact CE2-CG2 4.18Å; F109-L119 HydrophobicContact CE2-CD1 3.85Å; F109-L119 HydrophobicContact CZ-CD1 3.74Å; F109-H123 HydrophobicContact CE1-CB 3.83Å; F109-H123 AromaticContact CE1-CG 3.64Å; F109-H123 AromaticContact CE1-ND1 3.85Å; F109-H123 HydrophobicContact CZ-CB 3.86Å; F109-H123 AromaticContact CZ-CG 3.95Å; F109-M227 HydrophobicContact CD1-CE 3.58Å; F109-M227 HydrophobicContact CE1-CE 3.44Å; F109-M227 VanDerWaalsContact CE1-CE 3.44Å; F109-M227 HydrophobicContact CE2-CE 4.4Å; F109-M227 HydrophobicContact CG-CE 4.11Å; F109-M227 HydrophobicContact CZ-CE 3.88Å
110V97.6Very high92.8Very high0 Ų037.5 Ų37.50%021%0.206CC..EExtended strand (participates in β ladder)trans-111.5132172.6-170.10000107.8F14 V50 A51 T93 L94 F108 L112 L136F14-V110 HydrophobicContact CE1-CG1 4.02Å; F14-V110 HydrophobicContact CE1-CG2 4.14Å; F14-V110 HydrophobicContact CZ-CG1 4.2Å; F14-V110 HydrophobicContact CZ-CG2 3.75Å; V50-V110 VanDerWaalsContact CA-O 3.32Å; V50-V110 WeakPolarHBondContact CA-O 3.41Å; A51-V110 PolarHBondContact N-O 3.49Å; A51-V110 PolarHBondContact O-N 3.26Å; T93-V110 WeakPolarHBondContact O-CA 3.44Å; L94-V110 HydrophobicContact CD1-CG2 3.77Å; F108-V110 HydrophobicContact CE2-CG2 4.35Å; V110-L112 PolarHBondContact O-N 3.1Å; V110-L136 HydrophobicContact CB-CD1 4.4Å; V110-L136 HydrophobicContact CG1-CD1 3.57Å
111T97Very high93Very high0 Ų043.5 Ų43.50%022%0.224CC..EExtended strand (participates in β ladder)trans-72.7127.6178.160.50000111H88 K90 G92 T93 F109 I116H88-T111 HydrophobicContact CB-CG2 4.47Å; K90-T111 PolarHBondContact O-OG1 3.01Å; G92-T111 PolarHBondContact N-O 2.96Å; G92-T111 PolarHBondContact N-OG1 3.37Å; T93-T111 WeakPolarHBondContact CB-OG1 3.48Å; T93-T111 PolarHBondContact N-OG1 3.37Å; T93-T111 PolarHBondContact O-N 3.37Å; F109-T111 HydrophobicContact CD2-CG2 4.44Å; F109-T111 HydrophobicContact CE2-CG2 4.18Å; T111-I116 HydrophobicContact CG2-CD1 3.93Å
112L95.7Very high93.2Very high3 Ų339.3 Ų39.32%0.01620%0.198CC..SBendtrans-991.8175.2-61.2178.5000112.4I45 E46 F49 A51 V110 L136 L139 N140I45-L112 HydrophobicContact CG2-CD1 3.95Å; E46-L112 WeakPolarHBondContact O-CD1 3.33Å; F49-L112 PolarHBondContact O-N 3.19Å; A51-L112 HydrophobicContact CB-CD1 4.01Å; A51-L112 HydrophobicContact CB-CD2 4.27Å; A51-L112 HydrophobicContact CB-CG 4.2Å; V110-L112 PolarHBondContact O-N 3.1Å; L112-L136 HydrophobicContact CD2-CD1 3.6Å; L112-L136 HydrophobicContact CD2-CG 3.77Å; L112-L139 HydrophobicContact CD2-CB 4.11Å; L112-N140 HydrophobicContact CB-CB 4.46Å; L112-N140 HydrophobicContact CD1-CB 4.46Å; L112-N140 HydrophobicContact CD2-CB 4.36Å
113S93.8Very high93.4Very high41 Ų4136.1 Ų36.129%0.28718%0.181SC..SBendtrans-142.8163.5175.1-175.70000110N48N48-S113 VanDerWaalsContact C-CB 3.48Å; N48-S113 WeakPolarHBondContact O-CB 3.42Å
114E93.9Very high93.5Very high120 Ų12033.2 Ų33.256%0.56117%0.167SC*.SBendtrans-88.4159.7177.2-62.4-174.417500111.2L91 I116L91-E114 HydrophobicContact CB-CG 3.79Å; E114-I116 PolarHBondContact O-N 2.89Å
115N92Very high93.7Very high100 Ų10033.3 Ų33.354%0.53517%0.167SC..  trans56.741.6171.5-56.1-60.3000115.2H88 T89 T117H88-N115 CarbonylContact O-C 3.44Å; T89-N115 PolarHBondContact O-N 3.46Å; N115-T117 PolarHBondContact O-N 3.48Å
116I91.1Very high93.8Very high5 Ų533.3 Ų33.33%0.02617%0.167CC..  trans-80.848.8174.8-45.4-174.2000110.4F49 V50 H88 T111 E114 F118 L119F49-I116 HydrophobicContact CD2-CD1 4.05Å; F49-I116 HydrophobicContact CD2-CG2 3.95Å; F49-I116 HydrophobicContact CE2-CD1 4.49Å; F49-I116 HydrophobicContact CE2-CG2 3.5Å; F49-I116 WeakPolarHBondContact O-CD1 3.36Å; V50-I116 HydrophobicContact CG1-CD1 4.24Å; H88-I116 HydrophobicContact CB-CB 4.23Å; H88-I116 WeakPolarHBondContact CB-O 3.5Å; H88-I116 PolarHBondContact O-N 2.97Å; T111-I116 HydrophobicContact CG2-CD1 3.93Å; E114-I116 PolarHBondContact O-N 2.89Å; I116-F118 HydrophobicContact CB-CZ 4.41Å; I116-F118 HydrophobicContact CG2-CD2 4.34Å; I116-F118 HydrophobicContact CG2-CE1 3.77Å; I116-F118 HydrophobicContact CG2-CE2 3.55Å; I116-F118 HydrophobicContact CG2-CZ 3.24Å; I116-F118 PolarHBondContact O-N 2.84Å; I116-L119 HydrophobicContact CG2-CD1 3.59Å; I116-L119 HydrophobicContact CG2-CG 3.82Å; I116-L119 PolarHBondContact O-N 3.33Å
117T87.9Confident93.8Very high68 Ų6833.3 Ų33.342%0.41717%0.167SC..G310 helixtrans-71.2-13.9-166.658.70000114.1N115 L119 D120N115-T117 PolarHBondContact O-N 3.48Å; T117-L119 PolarHBondContact O-N 2.93Å; T117-D120 WeakPolarHBondContact CA-OD2 3.2Å; T117-D120 WeakPolarHBondContact CB-OD2 3.32Å; T117-D120 WeakPolarHBondContact O-CB 3.47Å; T117-D120 PolarHBondContact O-N 3.5Å; T117-D120 VanDerWaalsContact O-N 3.08Å
118F88.9Confident93.8Very high84 Ų8435 Ų3537%0.36818%0.175SC..G310 helixtrans-70.1-12.7174.952.6-99.5000113.1F49 I116 V224 V228F49-F118 HydrophobicContact CD2-CZ 4.16Å; F49-F118 AromaticContact CE2-CE2 3.54Å; F49-F118 HydrophobicContact CE2-CE2 3.54Å; F49-F118 AromaticContact CE2-CZ 3.52Å; F49-F118 HydrophobicContact CE2-CZ 3.52Å; F49-F118 HydrophobicContact CZ-CE2 4.03Å; F49-F118 HydrophobicContact CZ-CZ 4.38Å; I116-F118 HydrophobicContact CB-CZ 4.41Å; I116-F118 HydrophobicContact CG2-CD2 4.34Å; I116-F118 HydrophobicContact CG2-CE1 3.77Å; I116-F118 HydrophobicContact CG2-CE2 3.55Å; I116-F118 HydrophobicContact CG2-CZ 3.24Å; I116-F118 PolarHBondContact O-N 2.84Å; F118-V224 HydrophobicContact CD2-CG1 3.55Å; F118-V224 HydrophobicContact CE1-CG1 4.38Å; F118-V224 HydrophobicContact CE2-CB 3.92Å; F118-V224 HydrophobicContact CE2-CG1 3.24Å; F118-V224 HydrophobicContact CE2-CG2 3.54Å; F118-V224 HydrophobicContact CG-CG1 4.23Å; F118-V224 HydrophobicContact CZ-CB 4.22Å; F118-V224 HydrophobicContact CZ-CG1 3.69Å; F118-V224 HydrophobicContact CZ-CG2 3.44Å; F118-V224 VanDerWaalsContact CZ-CG2 3.44Å; F118-V228 HydrophobicContact CB-CG2 4.39Å; F118-V228 HydrophobicContact CD2-CG2 3.7Å; F118-V228 HydrophobicContact CG-CG2 4.47Å
119L91.7Very high93.8Very high0 Ų035.3 Ų35.30%018%0.177CC..G310 helixtrans-87.8-7.3170.6-61.8-175000112.9F49 V50 H88 F109 I116 T117 K122 H123 M227 V228F49-L119 HydrophobicContact CE2-CD1 4.01Å; F49-L119 HydrophobicContact CZ-CD1 4.07Å; F49-L119 HydrophobicContact CZ-CD2 4.49Å; V50-L119 HydrophobicContact CG1-CD1 4.38Å; H88-L119 PolarHBondContact CE1-O 3.47Å; H88-L119 VanDerWaalsContact CE1-O 3.31Å; F109-L119 HydrophobicContact CE2-CD1 3.85Å; F109-L119 HydrophobicContact CZ-CD1 3.74Å; I116-L119 HydrophobicContact CG2-CD1 3.59Å; I116-L119 HydrophobicContact CG2-CG 3.82Å; I116-L119 PolarHBondContact O-N 3.33Å; T117-L119 PolarHBondContact O-N 2.93Å; L119-K122 PolarHBondContact O-N 3.47Å; L119-H123 PolarHBondContact O-N 3Å; L119-H123 VanDerWaalsContact O-N 3.1Å; L119-M227 HydrophobicContact CD1-CE 3.95Å; L119-M227 HydrophobicContact CD1-SD 4.4Å; L119-M227 HydrophobicContact CD2-CB 3.66Å; L119-M227 HydrophobicContact CD2-CE 4.36Å; L119-V228 HydrophobicContact CD2-CG2 4.17Å
120D90.1Very high93.8Very high24 Ų2437.8 Ų37.813%0.12819%0.192CC..THydrogen-bonded Turntrans-61.8143178.3-64-16.2000110.6R87 H88 T117 K122R87-D120 VanDerWaalsContact CA-OD1 3.31Å; R87-D120 WeakPolarHBondContact CA-OD1 3.32Å; R87-D120 VanDerWaalsContact CB-OD2 3.3Å; R87-D120 WeakPolarHBondContact CB-OD2 3.01Å; R87-D120 WeakPolarHBondContact CD-OD2 3.25Å; R87-D120 WeakPolarHBondContact CG-OD2 3.2Å; R87-D120 IonicContact NE-OD2 3.33Å; H88-D120 IonicContact CE1-OD1 3.47Å; H88-D120 IonicContact CG-OD1 3.68Å; H88-D120 PolarHBondContact N-OD1 3.04Å; H88-D120 IonicContact ND1-OD1 2.64Å; H88-D120 PolarHBondContact ND1-OD1 3.34Å; T117-D120 WeakPolarHBondContact CA-OD2 3.2Å; T117-D120 WeakPolarHBondContact CB-OD2 3.32Å; T117-D120 WeakPolarHBondContact O-CB 3.47Å; T117-D120 PolarHBondContact O-N 3.5Å; T117-D120 VanDerWaalsContact O-N 3.08Å; D120-K122 PolarHBondContact O-N 2.96Å
121E87.3Confident93.7Very high163 Ų16343.8 Ų43.876%0.76222%0.22SC*.THydrogen-bonded Turntrans63.4-13.4-176.8-54.4178.3-174.900115.3
122K90.1Very high93.6Very high68 Ų6844.4 Ų44.430%0.29623%0.226SC..THydrogen-bonded Turntrans-89.9-34.1174.2-58.1-170.2178.1-159.40112.1M80 N98 L119 D120 V228M80-K122 WeakPolarHBondContact CE-O 3.47Å; N98-K122 WeakPolarHBondContact CB-O 3.38Å; N98-K122 PolarHBondContact ND2-O 2.86Å; L119-K122 PolarHBondContact O-N 3.47Å; D120-K122 PolarHBondContact O-N 2.96Å; K122-V228 HydrophobicContact CD-CB 4.32Å; K122-V228 HydrophobicContact CD-CG1 4.42Å; K122-V228 HydrophobicContact CD-CG2 4.43Å; K122-V228 WeakPolarHBondContact CD-O 3.36Å; K122-V228 PolarHBondContact NZ-O 2.98Å
123H94.5Very high93.6Very high12 Ų1248.4 Ų48.46%0.05624%0.243CC..SBendtrans-122.5157.1178.8-64.7-71.6000111.9S95 F96 N98 F109 L119 M227S95-H123 WeakPolarHBondContact OG-CB 3.31Å; F96-H123 WeakPolarHBondContact O-CB 3.45Å; F96-H123 PolarHBondContact O-ND1 3.38Å; N98-H123 PolarHBondContact N-ND1 2.87Å; N98-H123 VanDerWaalsContact N-ND1 3.19Å; F109-H123 HydrophobicContact CE1-CB 3.83Å; F109-H123 AromaticContact CE1-CG 3.64Å; F109-H123 AromaticContact CE1-ND1 3.85Å; F109-H123 HydrophobicContact CZ-CB 3.86Å; F109-H123 AromaticContact CZ-CG 3.95Å; L119-H123 PolarHBondContact O-N 3Å; L119-H123 VanDerWaalsContact O-N 3.1Å; H123-M227 PolarHBondContact NE2-O 3.16Å
124C95.3Very high93.7Very high0 Ų053.1 Ų53.10%026%0.261CS..EExtended strand (participates in β ladder)trans-100.296-173.3-170.40000111M80 S95 F96 I104 F126M80-C124 HydrophobicContact CE-CB 3.86Å; M80-C124 HydrophobicContact CG-CB 3.63Å; M80-C124 HydrophobicContact SD-CB 3.77Å; S95-C124 CarbonylContact C-O 3.52Å; S95-C124 VanDerWaalsContact CA-O 3.26Å; S95-C124 WeakPolarHBondContact CA-O 3.5Å; S95-C124 PolarHBondContact OG-N 2.9Å; S95-C124 PolarHBondContact OG-O 2.79Å; F96-C124 HydrophobicContact CB-CB 4.19Å; F96-C124 PolarHBondContact N-O 3.08Å; F96-C124 PolarHBondContact O-N 2.81Å; I104-C124 HydrophobicContact CD1-CB 4.35Å; C124-F126 WeakPolarHBondContact O-CD1 3.48Å; C124-F126 PolarHBondContact O-N 3.23Å
125V97.3Very high93.7Very high2 Ų247.9 Ų47.91%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-64.5127.9169.3-177.80000109.4Y17 R21 I86 H88 T93 S95Y17-V125 HydrophobicContact CD2-CG1 4.28Å; Y17-V125 HydrophobicContact CE2-CG1 3.84Å; R21-V125 WeakPolarHBondContact CG-O 3.45Å; R21-V125 PolarHBondContact NE-O 3.28Å; I86-V125 HydrophobicContact CB-CB 4.13Å; I86-V125 HydrophobicContact CB-CG1 4.35Å; I86-V125 HydrophobicContact CG2-CB 3.8Å; I86-V125 HydrophobicContact CG2-CG1 3.51Å; I86-V125 HydrophobicContact CG2-CG2 4.41Å; H88-V125 VanDerWaalsContact CE1-CG2 3.41Å; H88-V125 WeakPolarHBondContact CE1-CG2 3.5Å; H88-V125 VanDerWaalsContact NE2-CG2 3.29Å; H88-V125 WeakPolarHBondContact NE2-CG2 3.22Å; T93-V125 HydrophobicContact CG2-CB 4.34Å; T93-V125 HydrophobicContact CG2-CG1 3.45Å; T93-V125 VanDerWaalsContact CG2-CG1 3.45Å; T93-V125 HydrophobicContact CG2-CG2 3.96Å; S95-V125 PolarHBondContact OG-N 2.85Å
126F97.1Very high93.9Very high0 Ų043.3 Ų43.30%021%0.213CC..EExtended strand (participates in β ladder)trans-136.6-1.5-178.972.5-85.9000114.6L16 Y17 R21 A24 C25 F28 L94 F96 F108 C124L16-F126 HydrophobicContact CD2-CD2 4Å; L16-F126 HydrophobicContact CD2-CE2 3.95Å; Y17-F126 PolarHBondContact N-O 2.61Å; R21-F126 HydrophobicContact CB-CB 4.15Å; R21-F126 HydrophobicContact CG-CB 4.35Å; A24-F126 HydrophobicContact CB-CB 4.03Å; C25-F126 PolarHBondContact SG-O 2.98Å; F28-F126 HydrophobicContact CB-CD2 4.35Å; F28-F126 HydrophobicContact CB-CE2 3.69Å; F28-F126 HydrophobicContact CB-CZ 4.3Å; F28-F126 AromaticContact CD1-CE2 3.84Å; F28-F126 HydrophobicContact CD1-CE2 3.84Å; F28-F126 AromaticContact CD2-CE2 3.69Å; F28-F126 HydrophobicContact CD2-CE2 3.69Å; F28-F126 AromaticContact CD2-CZ 3.62Å; F28-F126 HydrophobicContact CD2-CZ 3.62Å; F28-F126 HydrophobicContact CE1-CE2 4.36Å; F28-F126 HydrophobicContact CE2-CE2 4.25Å; F28-F126 HydrophobicContact CE2-CZ 4Å; F28-F126 HydrophobicContact CG-CD2 4.5Å; F28-F126 AromaticContact CG-CE2 3.46Å; F28-F126 HydrophobicContact CG-CE2 3.46Å; F28-F126 VanDerWaalsContact CG-CE2 3.46Å; F28-F126 AromaticContact CG-CZ 3.91Å; F28-F126 HydrophobicContact CG-CZ 3.91Å; L94-F126 HydrophobicContact CD1-CZ 4.28Å; L94-F126 HydrophobicContact CD2-CD2 4.23Å; L94-F126 HydrophobicContact CD2-CE1 4.22Å; L94-F126 HydrophobicContact CD2-CE2 3.39Å; L94-F126 HydrophobicContact CD2-CZ 3.4Å; L94-F126 VanDerWaalsContact CD2-CZ 3.4Å; L94-F126 HydrophobicContact CG-CE1 3.8Å; L94-F126 HydrophobicContact CG-CE2 3.92Å; L94-F126 HydrophobicContact CG-CZ 3.45Å; L94-F126 VanDerWaalsContact CG-CZ 3.45Å; L94-F126 PolarHBondContact O-N 2.85Å; F96-F126 HydrophobicContact CB-CD1 4.48Å; F96-F126 HydrophobicContact CB-CE1 4.38Å; F96-F126 HydrophobicContact CD1-CE1 4.13Å; F96-F126 AromaticContact CD2-CD1 3.21Å; F96-F126 HydrophobicContact CD2-CD1 3.21Å; F96-F126 HydrophobicContact CD2-CD2 4.5Å; F96-F126 AromaticContact CD2-CE1 3.28Å; F96-F126 HydrophobicContact CD2-CE1 3.28Å; F96-F126 AromaticContact CD2-CG 3.87Å; F96-F126 HydrophobicContact CD2-CG 3.87Å; F96-F126 AromaticContact CD2-CZ 3.99Å; F96-F126 HydrophobicContact CD2-CZ 3.99Å; F96-F126 HydrophobicContact CE1-CE1 4.24Å; F96-F126 HydrophobicContact CE1-CZ 4.27Å; F96-F126 AromaticContact CE2-CD1 3.52Å; F96-F126 HydrophobicContact CE2-CD1 3.52Å; F96-F126 HydrophobicContact CE2-CD2 4Å; F96-F126 AromaticContact CE2-CE1 3.42Å; F96-F126 HydrophobicContact CE2-CE1 3.42Å; F96-F126 VanDerWaalsContact CE2-CE1 3.42Å; F96-F126 AromaticContact CE2-CE2 3.92Å; F96-F126 HydrophobicContact CE2-CE2 3.92Å; F96-F126 AromaticContact CE2-CG 3.81Å; F96-F126 HydrophobicContact CE2-CG 3.81Å; F96-F126 AromaticContact CE2-CZ 3.61Å; F96-F126 HydrophobicContact CE2-CZ 3.61Å; F96-F126 AromaticContact CG-CD1 3.94Å; F96-F126 HydrophobicContact CG-CD1 3.94Å; F96-F126 AromaticContact CG-CE1 3.66Å; F96-F126 HydrophobicContact CG-CE1 3.66Å; F96-F126 HydrophobicContact CG-CZ 4.46Å; F96-F126 HydrophobicContact CZ-CD1 4.45Å; F96-F126 AromaticContact CZ-CE1 3.92Å; F96-F126 HydrophobicContact CZ-CE1 3.92Å; F96-F126 HydrophobicContact CZ-CE2 4.23Å; F96-F126 AromaticContact CZ-CZ 3.78Å; F96-F126 HydrophobicContact CZ-CZ 3.78Å; F108-F126 HydrophobicContact CB-CE1 4.24Å; F108-F126 HydrophobicContact CB-CZ 4.42Å; C124-F126 WeakPolarHBondContact O-CD1 3.48Å; C124-F126 PolarHBondContact O-N 3.23Å
127G97.2Very high94Very high0 Ų046 Ų460%023%0.232CC..EExtended strand (participates in β ladder)trans-167.8-177.3172.600000113.7D15 L94D15-G127 CarbonylContact O-C 3.51Å; D15-G127 WeakPolarHBondContact O-CA 3.21Å; L94-G127 PolarHBondContact N-O 3.09Å; L94-G127 PolarHBondContact O-N 2.92Å
128E97.2Very high94.3Very high43 Ų4346.5 Ų46.520%0.20123%0.231CC..EExtended strand (participates in β ladder)trans-145.5151.4176.262.6-178.7179.400111.7F14 D15 Y17 K90 G92F14-E128 CarbonylContact C-O 3.54Å; F14-E128 VanDerWaalsContact CA-O 3.31Å; F14-E128 WeakPolarHBondContact CA-O 3.34Å; D15-E128 PolarHBondContact N-O 3.43Å; D15-E128 PolarHBondContact O-N 2.89Å; Y17-E128 HydrophobicContact CE1-CG 4.24Å; Y17-E128 WeakPolarHBondContact OH-CG 3.48Å; Y17-E128 PolarHBondContact OH-OE2 2.86Å; K90-E128 WeakPolarHBondContact CD-OE2 3.35Å; K90-E128 IonicContact NZ-OE1 2.67Å; K90-E128 IonicContact NZ-OE2 3.26Å; K90-E128 PolarHBondContact NZ-OE2 3.35Å; G92-E128 CarbonylContact O-C 3.54Å
129L97.6Very high94.5Very high9 Ų942.5 Ų42.55%0.04721%0.214CC..EExtended strand (participates in β ladder)trans-71.8132.2174.8-167.875000110.1L12 V13 F14 G92 E131 F133 L136L12-L129 HydrophobicContact CB-CD1 3.85Å; L12-L129 HydrophobicContact CD2-CD1 3.63Å; L12-L129 HydrophobicContact CD2-CD2 4.14Å; L12-L129 HydrophobicContact CG-CD1 4.34Å; V13-L129 WeakPolarHBondContact O-CD1 3.42Å; F14-L129 HydrophobicContact CD1-CB 4.13Å; F14-L129 HydrophobicContact CD1-CD1 3.9Å; F14-L129 HydrophobicContact CE1-CB 3.96Å; F14-L129 HydrophobicContact CE1-CD1 3.52Å; F14-L129 HydrophobicContact CE1-CG 4.37Å; F14-L129 HydrophobicContact CE2-CD1 4.29Å; F14-L129 HydrophobicContact CG-CD1 4.42Å; F14-L129 HydrophobicContact CZ-CD1 3.74Å; G92-L129 WeakPolarHBondContact O-CB 2.99Å; G92-L129 PolarHBondContact O-N 2.94Å; L129-E131 VanDerWaalsContact CD1-O 3.31Å; L129-E131 WeakPolarHBondContact CD1-O 2.97Å; L129-F133 HydrophobicContact CB-CZ 4.48Å; L129-F133 HydrophobicContact CD2-CD1 3.83Å; L129-F133 HydrophobicContact CD2-CE1 3.93Å; L129-F133 HydrophobicContact CD2-CG 4.13Å; L129-F133 HydrophobicContact CD2-CZ 4.31Å; L129-F133 HydrophobicContact CG-CZ 4.48Å; L129-L136 HydrophobicContact CD2-CB 4.11Å; L129-L136 HydrophobicContact CD2-CD2 4.05Å; L129-L136 HydrophobicContact CD2-CG 4.47Å
130T95.8Very high94.7Very high51 Ų5144 Ų4431%0.31322%0.222SC..EExtended strand (participates in β ladder)trans-110.9-36.3176.151.40000112.8V13 D15 F133V13-T130 PolarHBondContact O-N 2.88Å; V13-T130 PolarHBondContact O-OG1 3.22Å; V13-T130 VanDerWaalsContact O-OG1 3.13Å; D15-T130 HydrophobicContact CB-CG2 3.69Å; D15-T130 WeakPolarHBondContact OD2-CG2 3.39Å; T130-F133 WeakPolarHBondContact O-CE2 3.36Å
131E96.3Very high94.7Very high127 Ų12750.2 Ų50.259%0.59325%0.25SS*.EExtended strand (participates in β ladder)trans-139.1153.6177.9-54.4179.5-178.300110.3V13 L129V13-E131 HydrophobicContact CB-CB 3.93Å; V13-E131 HydrophobicContact CG2-CB 3.97Å; V13-E131 PolarHBondContact N-O 2.81Å; V13-E131 PolarHBondContact O-N 3.18Å; L129-E131 VanDerWaalsContact CD1-O 3.31Å; L129-E131 WeakPolarHBondContact CD1-O 2.97Å
132G95.2Very high94.8Very high13 Ų1343.6 Ų43.613%0.13422%0.221CC..  trans9429.7-177.800000114.5D11 L12 E134 T135 L136D11-G132 VanDerWaalsContact O-CA 3.32Å; D11-G132 WeakPolarHBondContact O-CA 3.42Å; L12-G132 WeakPolarHBondContact CD2-O 3.24Å; G132-E134 PolarHBondContact O-N 2.83Å; G132-T135 WeakPolarHBondContact O-CB 3.43Å; G132-T135 PolarHBondContact O-N 3.37Å; G132-T135 VanDerWaalsContact O-N 3.14Å; G132-L136 PolarHBondContact O-N 3.02Å; G132-L136 VanDerWaalsContact O-N 3.16Å
133F95.8Very high94.7Very high86 Ų8644.8 Ų44.838%0.37723%0.23SC..Hα-helixtrans-62.5-27.8176.4-72.1-82.8000112.2L91 L129 T130 L136 S137L91-F133 HydrophobicContact CD2-CD1 3.54Å; L91-F133 HydrophobicContact CD2-CE1 3.65Å; L129-F133 HydrophobicContact CB-CZ 4.48Å; L129-F133 HydrophobicContact CD2-CD1 3.83Å; L129-F133 HydrophobicContact CD2-CE1 3.93Å; L129-F133 HydrophobicContact CD2-CG 4.13Å; L129-F133 HydrophobicContact CD2-CZ 4.31Å; L129-F133 HydrophobicContact CG-CZ 4.48Å; T130-F133 WeakPolarHBondContact O-CE2 3.36Å; F133-L136 WeakPolarHBondContact O-CB 3.37Å; F133-L136 PolarHBondContact O-N 3.2Å; F133-S137 PolarHBondContact O-N 3.14Å; F133-S137 PolarHBondContact O-OG 3.47Å
134E95.5Very high94.4Very high141 Ų14145.6 Ų45.666%0.65924%0.236SC*.Hα-helixtrans-61.5-45173.2-58.478.6-173.400111G132 L136 S137 I138G132-E134 PolarHBondContact O-N 2.83Å; E134-L136 VanDerWaalsContact C-N 3.28Å; E134-L136 PolarHBondContact O-N 3.07Å; E134-S137 WeakPolarHBondContact O-CB 3.37Å; E134-S137 PolarHBondContact O-N 3.15Å; E134-I138 WeakPolarHBondContact O-CG1 3.5Å; E134-I138 PolarHBondContact O-N 3.34Å
135T94.4Very high94Very high10 Ų1046.8 Ų46.86%0.06124%0.243CC..Hα-helixtrans-61.6-39.6174.3-48.10000110.9V9 D11 L12 G132 S137 I138 L139V9-T135 HydrophobicContact CG2-CG2 3.92Å; D11-T135 PolarHBondContact N-OG1 3.31Å; D11-T135 WeakPolarHBondContact O-CB 3.49Å; D11-T135 PolarHBondContact O-OG1 2.8Å; L12-T135 HydrophobicContact CD1-CG2 4.47Å; L12-T135 HydrophobicContact CD2-CG2 4.01Å; L12-T135 HydrophobicContact CG-CG2 3.97Å; G132-T135 WeakPolarHBondContact O-CB 3.43Å; G132-T135 PolarHBondContact O-N 3.37Å; G132-T135 VanDerWaalsContact O-N 3.14Å; T135-S137 VanDerWaalsContact C-N 3.35Å; T135-I138 PolarHBondContact O-N 3.38Å; T135-L139 WeakPolarHBondContact O-CG 3.21Å; T135-L139 PolarHBondContact O-N 2.87Å
136L94.9Very high93.1Very high4 Ų454.3 Ų54.32%0.02128%0.275CS..Hα-helixtrans-65.8-37.4176.6-16177000112.1L12 L91 V110 L112 L129 G132 F133 E134 L139 N140L12-L136 HydrophobicContact CD2-CB 4.48Å; L91-L136 HydrophobicContact CD1-CD2 4.45Å; L91-L136 HydrophobicContact CD2-CD2 3.34Å; L91-L136 HydrophobicContact CG-CD2 3.68Å; V110-L136 HydrophobicContact CB-CD1 4.4Å; V110-L136 HydrophobicContact CG1-CD1 3.57Å; L112-L136 HydrophobicContact CD2-CD1 3.6Å; L112-L136 HydrophobicContact CD2-CG 3.77Å; L129-L136 HydrophobicContact CD2-CB 4.11Å; L129-L136 HydrophobicContact CD2-CD2 4.05Å; L129-L136 HydrophobicContact CD2-CG 4.47Å; G132-L136 PolarHBondContact O-N 3.02Å; G132-L136 VanDerWaalsContact O-N 3.16Å; F133-L136 WeakPolarHBondContact O-CB 3.37Å; F133-L136 PolarHBondContact O-N 3.2Å; E134-L136 VanDerWaalsContact C-N 3.28Å; E134-L136 PolarHBondContact O-N 3.07Å; L136-L139 HydrophobicContact CD1-CD1 4.31Å; L136-L139 WeakPolarHBondContact O-CB 3.31Å; L136-L139 PolarHBondContact O-N 2.89Å; L136-N140 WeakPolarHBondContact O-CB 3.48Å; L136-N140 PolarHBondContact O-N 2.81Å
137S94.5Very high92.4Very high62 Ų6260.2 Ų60.243%0.43431%0.307SS..Hα-helixtrans-62.6-43.6172.3-64.90000111.7F133 E134 T135 L139 N140 E141F133-S137 PolarHBondContact O-N 3.14Å; F133-S137 PolarHBondContact O-OG 3.47Å; E134-S137 WeakPolarHBondContact O-CB 3.37Å; E134-S137 PolarHBondContact O-N 3.15Å; T135-S137 VanDerWaalsContact C-N 3.35Å; S137-L139 VanDerWaalsContact C-N 3.34Å; S137-L139 PolarHBondContact O-N 2.76Å; S137-N140 CarbonylContact O-C 3.51Å; S137-N140 WeakPolarHBondContact O-CA 3.07Å; S137-N140 WeakPolarHBondContact O-CB 3.43Å; S137-N140 PolarHBondContact O-N 2.66Å; S137-E141 WeakPolarHBondContact O-CG 3.45Å; S137-E141 PolarHBondContact O-N 3.17Å
138I93.8Very high92Very high77 Ų7761.3 Ų61.340%0.39531%0.313SS..Hα-helixtrans-61.4-43.4175.5-63.9165.3000110.9V9 E134 T135 N140 E141 T142V9-I138 HydrophobicContact CB-CG2 3.94Å; V9-I138 HydrophobicContact CG1-CG2 4.25Å; V9-I138 HydrophobicContact CG2-CG2 4.33Å; E134-I138 WeakPolarHBondContact O-CG1 3.5Å; E134-I138 PolarHBondContact O-N 3.34Å; T135-I138 PolarHBondContact O-N 3.38Å; I138-N140 VanDerWaalsContact C-N 3.26Å; I138-N140 PolarHBondContact O-N 2.72Å; I138-E141 PolarHBondContact O-N 3.08Å; I138-T142 PolarHBondContact O-N 3.22Å; I138-T142 PolarHBondContact O-OG1 2.92Å
139L94.1Very high91.6Very high0 Ų061.2 Ų61.20%031%0.311CS..Hα-helixtrans-57.9-41.6173.1-72.4171.2000111.1V9 L12 F42 I45 L112 T135 L136 S137 E141 T142 V154V9-L139 HydrophobicContact CG2-CD2 4.27Å; V9-L139 HydrophobicContact CG2-CG 4.46Å; L12-L139 HydrophobicContact CD1-CD1 4.13Å; F42-L139 HydrophobicContact CG-CD2 4.46Å; I45-L139 HydrophobicContact CD1-CD2 3.67Å; I45-L139 WeakPolarHBondContact CG2-O 3.39Å; L112-L139 HydrophobicContact CD2-CB 4.11Å; T135-L139 WeakPolarHBondContact O-CG 3.21Å; T135-L139 PolarHBondContact O-N 2.87Å; L136-L139 HydrophobicContact CD1-CD1 4.31Å; L136-L139 WeakPolarHBondContact O-CB 3.31Å; L136-L139 PolarHBondContact O-N 2.89Å; S137-L139 VanDerWaalsContact C-N 3.34Å; S137-L139 PolarHBondContact O-N 2.76Å; L139-E141 VanDerWaalsContact C-N 3.3Å; L139-E141 PolarHBondContact O-N 3.49Å; L139-T142 WeakPolarHBondContact O-CB 3.31Å; L139-T142 PolarHBondContact O-N 3.35Å; L139-T142 PolarHBondContact O-OG1 3.35Å; L139-V154 HydrophobicContact CD2-CB 4.4Å; L139-V154 HydrophobicContact CD2-CG1 3.77Å; L139-V154 HydrophobicContact CD2-CG2 4.46Å
140N94Very high91.2Very high33 Ų3360.9 Ų60.918%0.17631%0.309CS..Hα-helixtrans-69.2-26.6179.5-160.436.2000113.9A47 N48 L112 L136 S137 I138A47-N140 VanDerWaalsContact CA-OD1 3.23Å; A47-N140 WeakPolarHBondContact CA-OD1 3.44Å; A47-N140 WeakPolarHBondContact CB-O 3.3Å; N48-N140 PolarHBondContact N-OD1 3.18Å; N48-N140 PolarHBondContact OD1-ND2 3.12Å; L112-N140 HydrophobicContact CB-CB 4.46Å; L112-N140 HydrophobicContact CD1-CB 4.46Å; L112-N140 HydrophobicContact CD2-CB 4.36Å; L136-N140 WeakPolarHBondContact O-CB 3.48Å; L136-N140 PolarHBondContact O-N 2.81Å; S137-N140 CarbonylContact O-C 3.51Å; S137-N140 WeakPolarHBondContact O-CA 3.07Å; S137-N140 WeakPolarHBondContact O-CB 3.43Å; S137-N140 PolarHBondContact O-N 2.66Å; I138-N140 VanDerWaalsContact C-N 3.26Å; I138-N140 PolarHBondContact O-N 2.72Å
141E91.6Very high90.7Very high153 Ų15363.7 Ų63.772%0.71531%0.314SS*.Hα-helixtrans-92-4.6177.8-68.6174.4-171.500112.7S137 I138 L139 I143S137-E141 WeakPolarHBondContact O-CG 3.45Å; S137-E141 PolarHBondContact O-N 3.17Å; I138-E141 PolarHBondContact O-N 3.08Å; L139-E141 VanDerWaalsContact C-N 3.3Å; L139-E141 PolarHBondContact O-N 3.49Å; E141-I143 PolarHBondContact O-N 2.99Å
142T89.1Confident90.1Very high25 Ų2560.1 Ų60.115%0.15330%0.298CS..  trans-63.3122.7-176.3-63.50000111.3I45 I138 L139 C144 P150 V154I45-T142 HydrophobicContact CD1-CG2 4.3Å; I138-T142 PolarHBondContact O-N 3.22Å; I138-T142 PolarHBondContact O-OG1 2.92Å; L139-T142 WeakPolarHBondContact O-CB 3.31Å; L139-T142 PolarHBondContact O-N 3.35Å; L139-T142 PolarHBondContact O-OG1 3.35Å; T142-C144 PolarHBondContact O-N 3.27Å; T142-C144 PolarHBondContact O-SG 3.1Å; T142-C144 VanDerWaalsContact O-SG 3.42Å; T142-P150 HydrophobicContact CG2-CB 3.68Å; T142-P150 HydrophobicContact CG2-CG 4Å; T142-V154 HydrophobicContact CG2-CG2 4.39Å
143I87.5Confident89.6Confident93 Ų9360.1 Ų60.148%0.47729%0.294SS..  trans-73.6123.5178.9-52.3173.8000109.2E141 Y151 V197E141-I143 PolarHBondContact O-N 2.99Å; I143-Y151 HydrophobicContact CB-CD2 4.48Å; I143-Y151 HydrophobicContact CG2-CD2 3.87Å; I143-Y151 HydrophobicContact CG2-CE2 4.21Å; I143-Y151 PolarHBondContact O-N 3.48Å; I143-V197 HydrophobicContact CD1-CG1 4.17Å
144C88.4Confident89.4Confident29 Ų2956.2 Ų56.220%0.19628%0.277CS..BIsolated β-bridgetrans-116.7156.1-177.1-64.10000112.1I45 T142 R149 Y151I45-C144 PolarHBondContact O-SG 3.29Å; T142-C144 PolarHBondContact O-N 3.27Å; T142-C144 PolarHBondContact O-SG 3.1Å; T142-C144 VanDerWaalsContact O-SG 3.42Å; C144-R149 WeakPolarHBondContact CA-O 3.49Å; C144-Y151 WeakPolarHBondContact O-CE2 3.29Å
145D86Confident89.2Confident24 Ų2450.4 Ų50.413%0.12825%0.249CC..  trans-75.9-173.117368.724.5000112.3N147 N148 R149 Y151 R190D145-N147 PolarHBondContact O-N 3.37Å; D145-N147 VanDerWaalsContact O-N 3.15Å; D145-N147 WeakPolarHBondContact OD1-CA 3.29Å; D145-N147 WeakPolarHBondContact OD1-CB 3.41Å; D145-N147 PolarHBondContact OD1-N 2.9Å; D145-N148 PolarHBondContact O-N 3.48Å; D145-N148 VanDerWaalsContact O-N 3.11Å; D145-N148 PolarHBondContact OD1-N 3.01Å; D145-R149 VanDerWaalsContact CG-O 3.3Å; D145-R149 PolarHBondContact N-O 3.43Å; D145-R149 WeakPolarHBondContact OD1-CB 3.48Å; D145-R149 PolarHBondContact OD1-N 3.07Å; D145-Y151 HydrophobicContact CB-CE1 4.44Å; D145-Y151 HydrophobicContact CB-CE2 4.12Å; D145-R190 IonicContact OD2-CZ 2.65Å; D145-R190 IonicContact OD2-NH1 3.56Å; D145-R190 PolarHBondContact OD2-NH1 3.42Å; D145-R190 IonicContact OD2-NH2 3.43Å; D145-R190 PolarHBondContact OD2-NH2 3.21Å
146K80Confident89.2Confident160 Ų16050 Ų5070%0.69625%0.247SC*.THydrogen-bonded Turntrans-61.2-21.6-179.8-63.3-177.2-178.9-178.40114.2
147N81.1Confident89Confident124 Ų12453 Ų5366%0.66326%0.261SS*.THydrogen-bonded Turntrans-101.522.7180-59.2-38.9000111.5D145 R149D145-N147 PolarHBondContact O-N 3.37Å; D145-N147 VanDerWaalsContact O-N 3.15Å; D145-N147 WeakPolarHBondContact OD1-CA 3.29Å; D145-N147 WeakPolarHBondContact OD1-CB 3.41Å; D145-N147 PolarHBondContact OD1-N 2.9Å; N147-R149 PolarHBondContact O-N 3.04Å; N147-R149 VanDerWaalsContact O-N 3.07Å
148N89.3Confident88.8Confident24 Ų2453 Ų5313%0.12825%0.254CS..SBendtrans57.720.7-176.7-61.8-22.8000113.5S44 I45 D145S44-N148 CarbonylContact C-O 3.6Å; S44-N148 VanDerWaalsContact CA-O 3.31Å; S44-N148 WeakPolarHBondContact CA-O 3.46Å; I45-N148 PolarHBondContact N-O 3.18Å; D145-N148 PolarHBondContact O-N 3.48Å; D145-N148 VanDerWaalsContact O-N 3.11Å; D145-N148 PolarHBondContact OD1-N 3.01Å
149R89.2Confident88.7Confident41 Ų4149.3 Ų49.316%0.15524%0.236CC..  trans-92.9124.7179.7-175.374176.4-128.1-10.2109.9F43 G58 C144 D145 N147 Y151 R190F43-R149 WeakPolarHBondContact O-CD 3.48Å; G58-R149 PolarHBondContact O-NH1 3.48Å; C144-R149 WeakPolarHBondContact CA-O 3.49Å; D145-R149 VanDerWaalsContact CG-O 3.3Å; D145-R149 PolarHBondContact N-O 3.43Å; D145-R149 WeakPolarHBondContact OD1-CB 3.48Å; D145-R149 PolarHBondContact OD1-N 3.07Å; N147-R149 PolarHBondContact O-N 3.04Å; N147-R149 VanDerWaalsContact O-N 3.07Å; R149-Y151 PolarHBondContact O-N 3.11Å; R149-R190 PolarHBondContact O-NH1 2.71Å; R149-R190 VanDerWaalsContact O-NH1 3.08Å
150P89.5Confident88.7Confident1 Ų152.2 Ų52.21%0.00625%0.251CS..BIsolated β-bridgetrans-55.1132.4-179.1-3239000114.3F42 I45 T142 Q152 R190F42-P150 WeakPolarHBondContact O-CD 3.49Å; I45-P150 HydrophobicContact CB-CG 4.12Å; I45-P150 HydrophobicContact CD1-CG 3.52Å; I45-P150 HydrophobicContact CG1-CG 3.73Å; T142-P150 HydrophobicContact CG2-CB 3.68Å; T142-P150 HydrophobicContact CG2-CG 4Å; P150-Q152 VanDerWaalsContact C-N 3.35Å; P150-Q152 WeakPolarHBondContact CB-O 3.29Å; P150-R190 PolarHBondContact O-NH1 3.43Å
151Y84.2Confident88.6Confident110 Ų11052.2 Ų52.243%0.43125%0.252SS..SBendtrans-62.8-43.6175.7-84.3-78.2000112I143 C144 D145 R149 R190 I191I143-Y151 HydrophobicContact CB-CD2 4.48Å; I143-Y151 HydrophobicContact CG2-CD2 3.87Å; I143-Y151 HydrophobicContact CG2-CE2 4.21Å; I143-Y151 PolarHBondContact O-N 3.48Å; C144-Y151 WeakPolarHBondContact O-CE2 3.29Å; D145-Y151 HydrophobicContact CB-CE1 4.44Å; D145-Y151 HydrophobicContact CB-CE2 4.12Å; R149-Y151 PolarHBondContact O-N 3.11Å; Y151-R190 WeakPolarHBondContact O-CB 3.39Å; Y151-I191 PolarHBondContact O-N 2.85Å
152Q83.5Confident88.6Confident52 Ų5249.8 Ų49.824%0.24324%0.243CC..BIsolated β-bridgetrans-91.8126.9167.2-172.7172.634.600108.9P150 V154 G192 V193 E195 V197P150-Q152 VanDerWaalsContact C-N 3.35Å; P150-Q152 WeakPolarHBondContact CB-O 3.29Å; Q152-V154 PolarHBondContact O-N 2.95Å; Q152-G192 PolarHBondContact NE2-O 3.27Å; Q152-V193 VanDerWaalsContact NE2-C 3.34Å; Q152-V193 PolarHBondContact NE2-O 2.91Å; Q152-E195 PolarHBondContact NE2-O 2.82Å; Q152-V197 HydrophobicContact CB-CG2 3.8Å
153E85.8Confident88.6Confident14 Ų1452.6 Ų52.67%0.06526%0.257CS..PPolyproline II helixtrans-71.2121.6-174-64.3-165.6141.600112.1T8 L41 R155 T188 R190T8-E153 PolarHBondContact OG1-O 3.07Å; L41-E153 HydrophobicContact CD2-CB 4.03Å; L41-E153 HydrophobicContact CD2-CG 4.22Å; E153-R155 IonicContact OE1-NH2 2.68Å; E153-R155 IonicContact OE2-CZ 3.88Å; E153-R155 IonicContact OE2-NE 3.7Å; E153-R155 PolarHBondContact OE2-NE 3.35Å; E153-R155 VanDerWaalsContact OE2-NE 3.12Å; E153-R155 IonicContact OE2-NH2 2.78Å; E153-R155 PolarHBondContact OE2-NH2 3.3Å; E153-T188 WeakPolarHBondContact OE1-CB 3.48Å; E153-T188 WeakPolarHBondContact OE1-CG2 3.36Å; E153-T188 WeakPolarHBondContact OE2-CB 3.45Å; E153-T188 WeakPolarHBondContact OE2-CG2 3.32Å; E153-T188 PolarHBondContact OE2-OG1 3.2Å; E153-R190 HydrophobicContact CG-CB 3.76Å; E153-R190 HydrophobicContact CG-CG 4.42Å
154V91.2Very high88.8Confident3 Ų349.5 Ų49.52%0.01824%0.242CC..PPolyproline II helixtrans-97.5121.8169.7-168.70000109.6T8 V9 F42 I45 L139 T142 Q152T8-V154 WeakPolarHBondContact OG1-CA 3.34Å; V9-V154 HydrophobicContact CG1-CG1 4.13Å; V9-V154 HydrophobicContact CG1-CG2 4.03Å; V9-V154 HydrophobicContact CG2-CG1 3.7Å; F42-V154 HydrophobicContact CB-CB 4.3Å; F42-V154 HydrophobicContact CD2-CB 4.28Å; F42-V154 HydrophobicContact CD2-CG1 3.8Å; F42-V154 HydrophobicContact CE2-CG1 4.4Å; F42-V154 PolarHBondContact N-O 2.94Å; I45-V154 HydrophobicContact CD1-CG2 4.39Å; L139-V154 HydrophobicContact CD2-CB 4.4Å; L139-V154 HydrophobicContact CD2-CG1 3.77Å; L139-V154 HydrophobicContact CD2-CG2 4.46Å; T142-V154 HydrophobicContact CG2-CG2 4.39Å; Q152-V154 PolarHBondContact O-N 2.95Å
155R91.1Very high89Confident20 Ų2051 Ų518%0.07525%0.251CS..BIsolated β-bridgetrans-127148-176.1-65.9175.3177.7-95.56.2111.1T7 T8 F39 N40 L41 E153 M157 T188T7-R155 CarbonylContact C-O 3.56Å; T7-R155 WeakPolarHBondContact CA-O 3.35Å; T7-R155 WeakPolarHBondContact CB-O 3.35Å; T8-R155 HydrophobicContact CG2-CB 3.96Å; T8-R155 PolarHBondContact N-O 3.48Å; T8-R155 PolarHBondContact OG1-N 3.44Å; T8-R155 VanDerWaalsContact OG1-N 3.11Å; F39-R155 PolarHBondContact O-NH1 3.05Å; N40-R155 WeakPolarHBondContact O-CA 3.44Å; L41-R155 HydrophobicContact CD2-CG 3.68Å; L41-R155 HydrophobicContact CG-CG 4.13Å; E153-R155 IonicContact OE1-NH2 2.68Å; E153-R155 IonicContact OE2-CZ 3.88Å; E153-R155 IonicContact OE2-NE 3.7Å; E153-R155 PolarHBondContact OE2-NE 3.35Å; E153-R155 VanDerWaalsContact OE2-NE 3.12Å; E153-R155 IonicContact OE2-NH2 2.78Å; E153-R155 PolarHBondContact OE2-NH2 3.3Å; R155-M157 PolarHBondContact O-N 2.84Å; R155-T188 VanDerWaalsContact NH2-CG2 3.33Å
156I93.9Very high89.3Confident1 Ų152 Ų521%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-77.6110.8166.5-62.3172.3000107.2V5 E6 Y37 F39 N40 F42 F108 T159V5-I156 HydrophobicContact CG1-CB 4.36Å; V5-I156 HydrophobicContact CG1-CD1 4.21Å; V5-I156 HydrophobicContact CG1-CG1 3.94Å; V5-I156 HydrophobicContact CG1-CG2 3.69Å; E6-I156 CarbonylContact O-C 3.5Å; Y37-I156 WeakPolarHBondContact O-CB 3.14Å; Y37-I156 WeakPolarHBondContact O-CG2 3.5Å; F39-I156 WeakPolarHBondContact CA-O 3.32Å; F39-I156 PolarHBondContact N-O 3.45Å; N40-I156 PolarHBondContact O-N 2.9Å; F42-I156 HydrophobicContact CE2-CD1 4.45Å; F42-I156 HydrophobicContact CE2-CG1 3.8Å; F42-I156 HydrophobicContact CZ-CG1 4.35Å; F108-I156 HydrophobicContact CZ-CD1 4.02Å; I156-T159 HydrophobicContact CG2-CG2 3.72Å
157M90.4Very high89.8Confident67 Ų6749.7 Ų49.733%0.3326%0.256SS..EExtended strand (participates in β ladder)trans-75.8-54.6179-64.9-60-76.700110.1E6 T8 N38 F39 R155E6-M157 PolarHBondContact O-N 3.15Å; T8-M157 HydrophobicContact CG2-CG 3.88Å; T8-M157 HydrophobicContact CG2-SD 3.64Å; N38-M157 PolarHBondContact ND2-O 3.26Å; F39-M157 HydrophobicContact CD1-SD 4.22Å; F39-M157 HydrophobicContact CE1-CE 4.04Å; F39-M157 HydrophobicContact CE1-SD 4.11Å; R155-M157 PolarHBondContact O-N 2.84Å
158H90.4Very high90.1Very high61 Ų6147.5 Ų47.528%0.28224%0.244SC..EExtended strand (participates in β ladder)trans-140144.2-176.9-60.9-36.8000111.4E6 N38 S178E6-H158 HydrophobicContact CB-CB 4.28Å; E6-H158 PolarHBondContact N-O 3.47Å; E6-H158 PolarHBondContact O-N 3Å; E6-H158 WeakPolarHBondContact OE2-CB 3.49Å; E6-H158 IonicContact OE2-CD2 3.18Å; E6-H158 PolarHBondContact OE2-CD2 3.09Å; E6-H158 VanDerWaalsContact OE2-CD2 3.26Å; E6-H158 IonicContact OE2-CG 3.15Å; N38-H158 PolarHBondContact ND2-ND1 3.05Å; H158-S178 PolarHBondContact ND1-OG 3.47Å; H158-S178 VanDerWaalsContact ND1-OG 3.09Å
159T93.1Very high89.9Confident1 Ų147.9 Ų47.91%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-113.2124.6167.652.80000109.3L4 V5 C32 K35 N38 I156L4-T159 WeakPolarHBondContact O-CA 3.38Å; V5-T159 HydrophobicContact CG1-CG2 4.43Å; V5-T159 HydrophobicContact CG2-CG2 4.39Å; C32-T159 WeakPolarHBondContact CA-OG1 3.46Å; C32-T159 PolarHBondContact O-OG1 3.06Å; K35-T159 PolarHBondContact NZ-O 3.47Å; N38-T159 PolarHBondContact OD1-N 3.3Å; N38-T159 PolarHBondContact OD1-OG1 2.83Å; I156-T159 HydrophobicContact CG2-CG2 3.72Å
160I92.7Very high89.6Confident61 Ų6155.6 Ų55.631%0.31328%0.282SS..EExtended strand (participates in β ladder)trans-118.7115.8179.9-60.5162.5000107.5L4 E6 L162L4-I160 HydrophobicContact CB-CB 4.27Å; L4-I160 HydrophobicContact CD2-CD1 3.95Å; L4-I160 PolarHBondContact N-O 2.88Å; L4-I160 PolarHBondContact O-N 2.98Å; E6-I160 WeakPolarHBondContact OE1-CD1 3.33Å; I160-L162 HydrophobicContact CG2-CD2 4.07Å; I160-L162 PolarHBondContact O-N 2.93Å
161V93.2Very high89Confident32 Ų3259.5 Ų59.519%0.19432%0.323CS..EExtended strand (participates in β ladder)trans-83.7112.6175.2178.10000107.8V3 L29 C32 K33 D164V3-V161 HydrophobicContact CG2-CG2 4.39Å; L29-V161 HydrophobicContact CD2-CG1 3.59Å; L29-V161 HydrophobicContact CD2-CG2 4.2Å; C32-V161 HydrophobicContact CB-CG2 3.61Å; K33-V161 HydrophobicContact CG-CB 4.36Å; K33-V161 HydrophobicContact CG-CG2 3.96Å; V161-D164 HydrophobicContact CG1-CB 3.88Å
162L91.1Very high88.9Confident102 Ų10255.3 Ų55.353%0.53431%0.308SS..SBendtrans-78.4-39.8-177.3-58.4176.7000111A2 L4 I160A2-L162 HydrophobicContact CB-CB 4.35Å; A2-L162 HydrophobicContact CB-CD1 3.79Å; A2-L162 WeakPolarHBondContact O-CB 3.37Å; A2-L162 PolarHBondContact O-N 3.11Å; L4-L162 HydrophobicContact CB-CD1 4.45Å; L4-L162 HydrophobicContact CB-CD2 4.5Å; L4-L162 HydrophobicContact CB-CG 4.48Å; I160-L162 HydrophobicContact CG2-CD2 4.07Å; I160-L162 PolarHBondContact O-N 2.93Å
163D89.9Confident88.8Confident85 Ų8558.1 Ų58.146%0.45533%0.329SS..  trans-144.8136.8174.4-16814.7000110.8M1M1-D163 HydrophobicContact SD-CB 4.11Å
164D91.4Very high88.8Confident28 Ų2860.3 Ų60.315%0.1534%0.337CS..  trans-131.1104.1178.5-173.9-6.5000110K30 K33 V161 F166K30-D164 IonicContact NZ-OD1 2.79Å; K30-D164 PolarHBondContact NZ-OD1 2.82Å; K30-D164 IonicContact NZ-OD2 3.87Å; K30-D164 PolarHBondContact NZ-OD2 2.79Å; K33-D164 WeakPolarHBondContact CD-OD2 3.46Å; K33-D164 WeakPolarHBondContact CE-OD2 3.35Å; K33-D164 IonicContact NZ-OD2 3.6Å; K33-D164 PolarHBondContact NZ-OD2 2.91Å; V161-D164 HydrophobicContact CG1-CB 3.88Å; D164-F166 PolarHBondContact O-N 3.28Å; D164-F166 PolarHBondContact OD1-N 3.46Å
165P92.3Very high88.4Confident60 Ų6063 Ų6339%0.3935%0.354SS..  trans-76.5-8.7-178.132-35.5000113M1 T18M1-P165 HydrophobicContact CE-CB 3.82Å; M1-P165 HydrophobicContact CE-CG 3.99Å; M1-P165 HydrophobicContact CG-CG 4.2Å; M1-P165 HydrophobicContact SD-CB 4.42Å; M1-P165 HydrophobicContact SD-CG 4.12Å; T18-P165 HydrophobicContact CG2-CG 3.99Å
166F91.7Very high87.8Confident45 Ų4568.4 Ų68.420%0.19740%0.395CS..SBendtrans-97.5136.5-174.5-56.2-68.5000111.4T18 P22 C25 L29 K30 D164T18-F166 HydrophobicContact CG2-CE2 3.86Å; T18-F166 HydrophobicContact CG2-CZ 4.18Å; P22-F166 HydrophobicContact CB-CE1 4.06Å; P22-F166 HydrophobicContact CB-CZ 4.09Å; C25-F166 HydrophobicContact CB-CE2 4.05Å; L29-F166 HydrophobicContact CD1-CD2 3.78Å; L29-F166 HydrophobicContact CD1-CE2 3.9Å; K30-F166 PolarHBondContact NZ-O 3.2Å; D164-F166 PolarHBondContact O-N 3.28Å; D164-F166 PolarHBondContact OD1-N 3.46Å
167P90.4Very high87Confident112 Ų11277.5 Ų77.573%0.72743%0.429SS*.PPolyproline II helixtrans-61145.7172.727.8-34.3000110.5K30K30-P167 PolarHBondContact NZ-O 2.8Å
168D88.7Confident86.3Confident77 Ų7775.3 Ų75.341%0.41242%0.421SS..PPolyproline II helixtrans-70.2129.4176.4-69.6-24.6000110.1K30 K33 Y174K30-D168 IonicContact NZ-OD1 3.38Å; K30-D168 PolarHBondContact NZ-OD1 3.17Å; K33-D168 IonicContact NZ-OD1 2.71Å; K33-D168 PolarHBondContact NZ-OD1 2.87Å; K33-D168 IonicContact NZ-OD2 3.81Å; D168-Y174 HydrophobicContact CB-CE2 3.89Å; D168-Y174 VanDerWaalsContact CG-CE2 3.48Å; D168-Y174 WeakPolarHBondContact OD2-CE2 3.02Å
169P84.1Confident85.5Confident33 Ų3375.5 Ų75.521%0.21443%0.427CS..PPolyproline II helixtrans-63143.4180-19.229000111.8I70 G171 L172I70-P169 HydrophobicContact CD1-CB 3.64Å; I70-P169 HydrophobicContact CD1-CG 3.73Å; I70-P169 HydrophobicContact CG1-CB 4.32Å; P169-G171 PolarHBondContact O-N 3.23Å; P169-L172 HydrophobicContact CB-CD1 3.88Å; P169-L172 HydrophobicContact CG-CD1 3.69Å; P169-L172 PolarHBondContact O-N 3.45Å
170K82.5Confident84.5Confident203 Ų20379.9 Ų79.988%0.88346%0.458SS*.THydrogen-bonded Turntrans-60.4132179-64.1-177.9-178.7178.90110.5
171G77.5Confident83.3Confident83 Ų8380.2 Ų80.286%0.85646%0.464SS*.THydrogen-bonded Turntrans92.9-9.8176.500000115.2P169P169-G171 PolarHBondContact O-N 3.23Å
172L82.5Confident82Confident21 Ų2183.3 Ų83.311%0.1148%0.479CS..  trans-80.1124.5170.3-79.3167.2000110.4I66 R69 I70 P169 Y174I66-L172 HydrophobicContact CD1-CD1 4.21Å; I66-L172 HydrophobicContact CD1-CD2 3.98Å; I66-L172 HydrophobicContact CG1-CD1 3.86Å; I66-L172 HydrophobicContact CG1-CD2 4.36Å; R69-L172 HydrophobicContact CB-CD2 4.02Å; I70-L172 HydrophobicContact CD1-CD1 3.81Å; I70-L172 HydrophobicContact CG1-CD1 3.82Å; I70-L172 HydrophobicContact CG1-CG 4.09Å; P169-L172 HydrophobicContact CB-CD1 3.88Å; P169-L172 HydrophobicContact CG-CD1 3.69Å; P169-L172 PolarHBondContact O-N 3.45Å; L172-Y174 HydrophobicContact CB-CE1 4.37Å
173T82Confident80.5Confident112 Ų11286 Ų8669%0.68749%0.489SS*.  trans-105.7129.7167.549.50000109.1
174Y85.8Confident79.2Confident60 Ų6085.6 Ų85.624%0.23549%0.493CS..  trans-99.5137.1177.9-56.1-67.5000110K33 D168 L172K33-Y174 HydrophobicContact CB-CD1 3.67Å; K33-Y174 HydrophobicContact CB-CE1 3.72Å; K33-Y174 HydrophobicContact CB-CG 4.23Å; D168-Y174 HydrophobicContact CB-CE2 3.89Å; D168-Y174 VanDerWaalsContact CG-CE2 3.48Å; D168-Y174 WeakPolarHBondContact OD2-CE2 3.02Å; L172-Y174 HydrophobicContact CB-CE1 4.37Å
175P82.4Confident77.7Confident59 Ų5986.5 Ų86.538%0.38350%0.497SS..  trans-67.3141.5175.130.4-34.1000109.9K35 R177K35-P175 HydrophobicContact CB-CG 4.19Å; K35-P175 HydrophobicContact CG-CG 3.74Å; P175-R177 VanDerWaalsContact C-N 3.27Å; P175-R177 PolarHBondContact O-N 3.31Å
176S77.4Confident76.1Confident133 Ų13389.5 Ų89.593%0.9351%0.509SS*.SBendtrans-73-20.3178.555.70000113.3
177R76.9Confident74.2Confident192 Ų19294.2 Ų94.273%0.72554%0.536SS*.SBendtrans-136.9151.2-179-171.2178.8175.2-105.91.1109.9P175P175-R177 VanDerWaalsContact C-N 3.27Å; P175-R177 PolarHBondContact O-N 3.31Å
178S76.3Confident72.6Confident22 Ų2291.1 Ų91.115%0.15452%0.515CS..PPolyproline II helixtrans-52.7136.1166.6-61.30000110.6N38 H158N38-S178 VanDerWaalsContact ND2-CB 3.34Å; N38-S178 WeakPolarHBondContact ND2-CB 3.33Å; N38-S178 PolarHBondContact ND2-OG 3.28Å; N38-S178 VanDerWaalsContact ND2-OG 3.12Å; H158-S178 PolarHBondContact ND1-OG 3.47Å; H158-S178 VanDerWaalsContact ND1-OG 3.09Å
179P73.5Confident71.1Confident64 Ų6498 Ų9842%0.41654%0.541SS..PPolyproline II helixtrans-60.2157.5174.825.3-32.5000110.7N38 F39N38-P179 HydrophobicContact CB-CG 4.44Å; F39-P179 WeakPolarHBondContact CE2-O 3.15Å
180S72.7Confident70Confident94 Ų94100.1 Ų100.166%0.65755%0.545SS*.PPolyproline II helixtrans-73.7147.8168.4420000110.2
181P67.2Low68.9Low67 Ų6792.8 Ų92.844%0.43552%0.515SS..PPolyproline II helixtrans-55.3139.9173.3-16.725.6000110.9F39 I186F39-P181 HydrophobicContact CE1-CB 4.24Å; F39-P181 HydrophobicContact CE1-CG 3.74Å; F39-P181 HydrophobicContact CE2-CG 4.26Å; F39-P181 HydrophobicContact CZ-CB 4.2Å; F39-P181 HydrophobicContact CZ-CG 3.57Å; P181-I186 HydrophobicContact CB-CG1 4.49Å
182D66.1Low67.9Low97 Ų9790.1 Ų90.152%0.51949%0.487SS..PPolyproline II helixtrans-81.6159.1175.6-174.237.2000111.5S184 M185 I186D182-S184 PolarHBondContact O-N 3.35Å; D182-S184 PolarHBondContact OD2-OG 2.98Å; D182-M185 HydrophobicContact CB-CG 4.25Å; D182-M185 HydrophobicContact CB-SD 4.4Å; D182-M185 WeakPolarHBondContact O-CA 3.34Å; D182-M185 VanDerWaalsContact O-CB 3.28Å; D182-M185 WeakPolarHBondContact O-CB 3.09Å; D182-M185 PolarHBondContact O-N 3.19Å; D182-I186 PolarHBondContact O-N 3.43Å
183E59.4Low66.7Low159 Ų15992.1 Ų92.174%0.74350%0.5SS*.Hα-helixtrans-57.7-36.9-178.5-74.5-174.3173.200112.1M185 I186 N187E183-M185 PolarHBondContact O-N 3.3Å; E183-I186 PolarHBondContact O-N 2.76Å; E183-I186 VanDerWaalsContact O-N 3.14Å; E183-N187 WeakPolarHBondContact O-CB 3.25Å; E183-N187 PolarHBondContact O-N 2.97Å
184S62.4Low65.5Low76 Ų7694.6 Ų94.653%0.53151%0.509SS..Hα-helixtrans-60.4-25175.261.50000113.4D182D182-S184 PolarHBondContact O-N 3.35Å; D182-S184 PolarHBondContact OD2-OG 2.98Å
185M60.3Low63.9Low47 Ų4797.1 Ų97.123%0.23252%0.523CS..Hα-helixtrans-86.1-23.9179.1-57.6-175161.900112.7F39 D182 E183F39-M185 HydrophobicContact CB-CE 3.52Å; F39-M185 HydrophobicContact CB-SD 3.21Å; F39-M185 WeakPolarHBondContact CB-SD 3.49Å; F39-M185 HydrophobicContact CD1-SD 4.48Å; F39-M185 HydrophobicContact CD2-SD 4.05Å; F39-M185 HydrophobicContact CG-CE 4.48Å; F39-M185 HydrophobicContact CG-SD 3.69Å; D182-M185 HydrophobicContact CB-CG 4.25Å; D182-M185 HydrophobicContact CB-SD 4.4Å; D182-M185 WeakPolarHBondContact O-CA 3.34Å; D182-M185 VanDerWaalsContact O-CB 3.28Å; D182-M185 WeakPolarHBondContact O-CB 3.09Å; D182-M185 PolarHBondContact O-N 3.19Å; E183-M185 PolarHBondContact O-N 3.3Å
186I57.4Low62.4Low124 Ų12499.6 Ų99.664%0.63654%0.542SS*.Hα-helixtrans-84.5-34.3177.6-58.1169.3000110.3P181 D182 E183 T188P181-I186 HydrophobicContact CB-CG1 4.49Å; D182-I186 PolarHBondContact O-N 3.43Å; E183-I186 PolarHBondContact O-N 2.76Å; E183-I186 VanDerWaalsContact O-N 3.14Å; I186-T188 PolarHBondContact O-N 3.05Å
187N52.1Low61.3Low143 Ų14395.8 Ų95.877%0.76551%0.513SS*.  trans-95.939.6-169.6-119.8-3.8000113.6E183E183-N187 WeakPolarHBondContact O-CB 3.25Å; E183-N187 PolarHBondContact O-N 2.97Å
188T56.9Low60.1Low47 Ų4792.4 Ų92.429%0.28851%0.508SS..  trans-80.1135.4178.4550000110.8E153 R155 I186 R190E153-T188 WeakPolarHBondContact OE1-CB 3.48Å; E153-T188 WeakPolarHBondContact OE1-CG2 3.36Å; E153-T188 WeakPolarHBondContact OE2-CB 3.45Å; E153-T188 WeakPolarHBondContact OE2-CG2 3.32Å; E153-T188 PolarHBondContact OE2-OG1 3.2Å; R155-T188 VanDerWaalsContact NH2-CG2 3.33Å; I186-T188 PolarHBondContact O-N 3.05Å; T188-R190 PolarHBondContact O-N 3.18Å; T188-R190 VanDerWaalsContact O-N 3.1Å
189K57.1Low58.6Low223 Ų22398.9 Ų98.997%0.9754%0.541SS*.SBendtrans-76.616.2176.7-64.3-176.1178.3-179.50112.9
190R61.6Low57.1Low77 Ų77104.9 Ų104.929%0.29156%0.564SS.*SBendtrans-105.5162.4-175.9-75.1-169.9-179-111.5-10.1109.2D145 R149 P150 Y151 E153 T188 G192D145-R190 IonicContact OD2-CZ 2.65Å; D145-R190 IonicContact OD2-NH1 3.56Å; D145-R190 PolarHBondContact OD2-NH1 3.42Å; D145-R190 IonicContact OD2-NH2 3.43Å; D145-R190 PolarHBondContact OD2-NH2 3.21Å; R149-R190 PolarHBondContact O-NH1 2.71Å; R149-R190 VanDerWaalsContact O-NH1 3.08Å; P150-R190 PolarHBondContact O-NH1 3.43Å; Y151-R190 WeakPolarHBondContact O-CB 3.39Å; E153-R190 HydrophobicContact CG-CB 3.76Å; E153-R190 HydrophobicContact CG-CG 4.42Å; T188-R190 PolarHBondContact O-N 3.18Å; T188-R190 VanDerWaalsContact O-N 3.1Å; R190-G192 PolarHBondContact O-N 2.85Å
191I59.3Low55.7Low49 Ų49109.6 Ų109.625%0.25158%0.575SS.*BIsolated β-bridgetrans-60.7125.4-179.4-62.4176.7000107.6Y151 E195 V197Y151-I191 PolarHBondContact O-N 2.85Å; I191-E195 WeakPolarHBondContact CA-OE2 3.34Å; I191-E195 HydrophobicContact CG2-CB 3.34Å; I191-E195 VanDerWaalsContact CG2-O 3.27Å; I191-E195 WeakPolarHBondContact CG2-O 3.32Å; I191-V197 HydrophobicContact CD1-CB 4.5Å; I191-V197 HydrophobicContact CD1-CG1 4.31Å; I191-V197 HydrophobicContact CD1-CG2 4.14Å; I191-V197 HydrophobicContact CG2-CG2 4.28Å
192G57Low54.8Low27 Ų27109.3 Ų109.328%0.27858%0.584SS.*  trans-61.1158179.700000111.6Q152 R190 D194 E195Q152-G192 PolarHBondContact NE2-O 3.27Å; R190-G192 PolarHBondContact O-N 2.85Å; G192-D194 PolarHBondContact O-N 3Å; G192-D194 VanDerWaalsContact O-N 3.09Å; G192-E195 PolarHBondContact N-OE2 3.46Å; G192-E195 PolarHBondContact O-N 3.42Å
193V57.6Low54.1Low63 Ų63112.8 Ų112.838%0.38260%0.603SS.*THydrogen-bonded Turntrans-56-28.1174.5-179.90000111.5T8 Q152T8-V193 HydrophobicContact CG2-CG1 4.34Å; T8-V193 HydrophobicContact CG2-CG2 3.7Å; Q152-V193 VanDerWaalsContact NE2-C 3.34Å; Q152-V193 PolarHBondContact NE2-O 2.91Å
194D55.4Low54Low163 Ų163109.9 Ų109.987%0.87259%0.592SS**THydrogen-bonded Turntrans-900.7-179.7-58.6-27.7000113.8G192G192-D194 PolarHBondContact O-N 3Å; G192-D194 VanDerWaalsContact O-N 3.09Å
195E52.3Low53.9Low113 Ų113110.7 Ų110.753%0.52860%0.595SS.*SBendtrans-106.9128.9-176.6-68177.2168.300111.1Q152 I191 G192Q152-E195 PolarHBondContact NE2-O 2.82Å; I191-E195 WeakPolarHBondContact CA-OE2 3.34Å; I191-E195 HydrophobicContact CG2-CB 3.34Å; I191-E195 VanDerWaalsContact CG2-O 3.27Å; I191-E195 WeakPolarHBondContact CG2-O 3.32Å; G192-E195 PolarHBondContact N-OE2 3.46Å; G192-E195 PolarHBondContact O-N 3.42Å
196S50.9Low54.2Low112 Ų112111.8 Ų111.878%0.78361%0.612SS**  trans-77.7134-179.652.40000111.9
197V56.2Low54.8Low53 Ų53113 Ų11332%0.32162%0.615SS.*  trans-81.8-17.2-177-1750000113.1I143 Q152 I191I143-V197 HydrophobicContact CD1-CG1 4.17Å; Q152-V197 HydrophobicContact CB-CG2 3.8Å; I191-V197 HydrophobicContact CD1-CB 4.5Å; I191-V197 HydrophobicContact CD1-CG1 4.31Å; I191-V197 HydrophobicContact CD1-CG2 4.14Å; I191-V197 HydrophobicContact CG2-CG2 4.28Å
198I51.4Low55.7Low120 Ų120107.8 Ų107.862%0.61559%0.591SS**  trans-109.2115.1-164.6-48.1174.4000110.7
199D43.4Very low56Low158 Ų158109.9 Ų109.985%0.84560%0.601SS**  trans-76.5116.9153.2-68.9-29.2000106.5E201D199-E201 PolarHBondContact O-N 3.43Å
200E43.2Very low56.6Low191 Ų191105.9 Ų105.989%0.89359%0.585SS**SBendtrans-61.59.4-166.9-70.1-174.7148.600116.9
201E43.1Very low57.3Low193 Ų193108.7 Ų108.790%0.90260%0.601SS**  trans-133.587.1-173.6-74-176.7150.300112.6D199D199-E201 PolarHBondContact O-N 3.43Å
202G48.7Very low57.8Low60 Ų60111.7 Ų111.762%0.61961%0.614SS**  trans-151.964.5175.900000112.7L204G202-L204 PolarHBondContact O-N 3.37Å; G202-L204 VanDerWaalsContact O-N 3.08Å
203N51.1Low58.4Low171 Ų171114.5 Ų114.591%0.91462%0.622SS**  trans-72.299.6169.7-123.15.6000108.4
204L57.5Low59.2Low97 Ų97114.2 Ų114.251%0.50863%0.626SS.*  trans-69.1140.1171.8-8098.9000110G202 A208G202-L204 PolarHBondContact O-N 3.37Å; G202-L204 VanDerWaalsContact O-N 3.08Å; L204-A208 HydrophobicContact CB-CB 4.42Å; L204-A208 HydrophobicContact CD2-CB 3.84Å
205P60.6Low60Low94 Ų94108.5 Ų108.561%0.6160%0.602SS**  trans-61.3147.5170.725.1-31.3000110.5E207 A208 L209P205-E207 PolarHBondContact O-N 2.95Å; P205-E207 VanDerWaalsContact O-N 3.08Å; P205-A208 HydrophobicContact CG-CB 4.19Å; P205-A208 WeakPolarHBondContact O-CB 3.37Å; P205-A208 PolarHBondContact O-N 2.97Å; P205-L209 PolarHBondContact O-N 3.32Å
206A65.9Low60.8Low70 Ų70108.7 Ų108.758%0.57960%0.598SS**Hα-helixtrans-53-36.5-17100000114.3A208 L209 E210A206-A208 PolarHBondContact O-N 2.96Å; A206-L209 WeakPolarHBondContact O-CB 3.44Å; A206-L209 PolarHBondContact O-N 3.43Å; A206-E210 PolarHBondContact O-N 2.99Å
207E70Confident61.6Low149 Ų149108.6 Ų108.670%0.69659%0.585SS**Hα-helixtrans-64.1-39.8178.6-167171.1-164.200112.1P205 L209 E210 E211P205-E207 PolarHBondContact O-N 2.95Å; P205-E207 VanDerWaalsContact O-N 3.08Å; E207-L209 VanDerWaalsContact C-N 3.32Å; E207-L209 PolarHBondContact O-N 2.71Å; E207-E210 PolarHBondContact O-N 3.37Å; E207-E211 PolarHBondContact O-N 3.03Å; E207-E211 VanDerWaalsContact O-N 3.1Å
208A70.3Confident62.3Low33 Ų33108.8 Ų108.827%0.27359%0.592SS.*Hα-helixtrans-69.5-32.617600000111.9L204 P205 A206 E212L204-A208 HydrophobicContact CB-CB 4.42Å; L204-A208 HydrophobicContact CD2-CB 3.84Å; P205-A208 HydrophobicContact CG-CB 4.19Å; P205-A208 WeakPolarHBondContact O-CB 3.37Å; P205-A208 PolarHBondContact O-N 2.97Å; A206-A208 PolarHBondContact O-N 2.96Å; A208-E212 WeakPolarHBondContact O-CB 3.47Å; A208-E212 PolarHBondContact O-N 2.75Å
209L64.3Low63.1Low92 Ų92108.2 Ų108.248%0.48258%0.582SS.*Hα-helixtrans-66.9-41.3174.5-175.867.1000111.4P205 A206 E207 E212 I213P205-L209 PolarHBondContact O-N 3.32Å; A206-L209 WeakPolarHBondContact O-CB 3.44Å; A206-L209 PolarHBondContact O-N 3.43Å; E207-L209 VanDerWaalsContact C-N 3.32Å; E207-L209 PolarHBondContact O-N 2.71Å; L209-E212 PolarHBondContact O-N 3.22Å; L209-I213 HydrophobicContact CD1-CD1 4.41Å; L209-I213 HydrophobicContact CG-CD1 3.96Å; L209-I213 WeakPolarHBondContact O-CB 3.43Å; L209-I213 WeakPolarHBondContact O-CD1 3.5Å; L209-I213 WeakPolarHBondContact O-CG1 3.08Å; L209-I213 PolarHBondContact O-N 3.24Å
210E69.3Low64.3Low138 Ų138101.7 Ų101.765%0.64555%0.55SS**Hα-helixtrans-62.6-44.4175.6-73.3-179.4-173.300111.8A206 E207 E212 I213 A214A206-E210 PolarHBondContact O-N 2.99Å; E207-E210 PolarHBondContact O-N 3.37Å; E210-E212 VanDerWaalsContact C-N 3.34Å; E210-E212 PolarHBondContact O-N 2.78Å; E210-I213 PolarHBondContact O-N 2.87Å; E210-A214 WeakPolarHBondContact O-CB 3.42Å; E210-A214 PolarHBondContact O-N 2.83Å
211E75.8Confident65.5Low136 Ų13699.1 Ų99.164%0.63654%0.536SS*.Hα-helixtrans-61.7-40.9175.1-72.7-17216600112.3E207 A214 A215E207-E211 PolarHBondContact O-N 3.03Å; E207-E211 VanDerWaalsContact O-N 3.1Å; E211-A214 PolarHBondContact O-N 3.08Å; E211-A215 VanDerWaalsContact O-CB 3.32Å; E211-A215 WeakPolarHBondContact O-CB 3.28Å; E211-A215 PolarHBondContact O-N 3.29Å
212E71.1Confident66.8Low112 Ų11291 Ų9152%0.52350%0.502SS..Hα-helixtrans-68.7-40.6179.1-170.4168.6-164.300112.2A208 L209 E210 A215 R216A208-E212 WeakPolarHBondContact O-CB 3.47Å; A208-E212 PolarHBondContact O-N 2.75Å; L209-E212 PolarHBondContact O-N 3.22Å; E210-E212 VanDerWaalsContact C-N 3.34Å; E210-E212 PolarHBondContact O-N 2.78Å; E212-A215 PolarHBondContact O-N 2.68Å; E212-R216 WeakPolarHBondContact O-CB 3.17Å; E212-R216 PolarHBondContact O-N 2.94Å
213I69.1Low67.8Low87 Ų8788.8 Ų88.845%0.44648%0.475SS..Hα-helixtrans-60.7-47.8172.4-69.2164.9000110.1L209 E210 A215 R216 E217L209-I213 HydrophobicContact CD1-CD1 4.41Å; L209-I213 HydrophobicContact CG-CD1 3.96Å; L209-I213 WeakPolarHBondContact O-CB 3.43Å; L209-I213 WeakPolarHBondContact O-CD1 3.5Å; L209-I213 WeakPolarHBondContact O-CG1 3.08Å; L209-I213 PolarHBondContact O-N 3.24Å; E210-I213 PolarHBondContact O-N 2.87Å; I213-A215 VanDerWaalsContact C-N 3.33Å; I213-A215 PolarHBondContact O-N 3.41Å; I213-R216 PolarHBondContact O-N 3.04Å; I213-E217 PolarHBondContact O-N 3.4Å
214A73.3Confident68.9Low56 Ų5682 Ų8246%0.46344%0.44SS..Hα-helixtrans-62.6-40.3178.800000112E210 E211 E217 A218E210-A214 WeakPolarHBondContact O-CB 3.42Å; E210-A214 PolarHBondContact O-N 2.83Å; E211-A214 PolarHBondContact O-N 3.08Å; A214-E217 PolarHBondContact O-N 3.31Å; A214-A218 WeakPolarHBondContact O-CB 3.32Å; A214-A218 PolarHBondContact O-N 2.85Å
215A73.5Confident69.5Low44 Ų4480.4 Ų80.436%0.36443%0.432SS..Hα-helixtrans-64.2-40.6175.300000111.8E211 E212 I213 A218 R219E211-A215 VanDerWaalsContact O-CB 3.32Å; E211-A215 WeakPolarHBondContact O-CB 3.28Å; E211-A215 PolarHBondContact O-N 3.29Å; E212-A215 PolarHBondContact O-N 2.68Å; I213-A215 VanDerWaalsContact C-N 3.33Å; I213-A215 PolarHBondContact O-N 3.41Å; A215-A218 PolarHBondContact O-N 2.85Å; A215-R219 WeakPolarHBondContact O-CG 3.48Å; A215-R219 PolarHBondContact O-N 3.31Å
216R67.9Low69.9Low117 Ų11779.6 Ų79.644%0.44242%0.42SS..Hα-helixtrans-66.5-42.7175.5-179.7171.9157.8179.3-14.1111.9N48 E212 I213 R219 A220N48-R216 PolarHBondContact ND2-NH2 3.21Å; E212-R216 WeakPolarHBondContact O-CB 3.17Å; E212-R216 PolarHBondContact O-N 2.94Å; I213-R216 PolarHBondContact O-N 3.04Å; R216-R219 PolarHBondContact O-N 2.84Å; R216-A220 PolarHBondContact O-N 3.1Å
217E68.8Low70.2Confident109 Ų10977.2 Ų77.251%0.50940%0.397SS..Hα-helixtrans-64.1-38.9174.4-76.5-167.917700112.8I213 A214 A220 K221I213-E217 PolarHBondContact O-N 3.4Å; A214-E217 PolarHBondContact O-N 3.31Å; E217-A220 PolarHBondContact O-N 2.88Å; E217-K221 WeakPolarHBondContact O-CG 3.02Å; E217-K221 PolarHBondContact O-N 3.13Å
218A71.4Confident70.3Confident58 Ų5871 Ų7148%0.47937%0.369SS..Hα-helixtrans-65.3-40.4176.800000111.7A214 A215 K221 A222A214-A218 WeakPolarHBondContact O-CB 3.32Å; A214-A218 PolarHBondContact O-N 2.85Å; A215-A218 PolarHBondContact O-N 2.85Å; A218-K221 PolarHBondContact O-N 2.88Å; A218-A222 PolarHBondContact O-N 3.35Å
219R67.7Low70Confident107 Ų10772.3 Ų72.340%0.40439%0.386SS..Hα-helixtrans-63.4-45.1173.6-74-178.9-167.8167.610.5111.9A215 R216 K221 A222 H223A215-R219 WeakPolarHBondContact O-CG 3.48Å; A215-R219 PolarHBondContact O-N 3.31Å; R216-R219 PolarHBondContact O-N 2.84Å; R219-K221 VanDerWaalsContact C-N 3.28Å; R219-K221 PolarHBondContact O-N 3.41Å; R219-A222 PolarHBondContact O-N 3.06Å; R219-H223 PolarHBondContact O-N 3.27Å
220A67.2Low69.7Low21 Ų2173 Ų7317%0.17439%0.39CS..Hα-helixtrans-56.3-44.8175.200000111.3E46 R216 E217 A222 V224E46-A220 WeakPolarHBondContact OE1-CA 3.27Å; E46-A220 PolarHBondContact OE1-N 3.09Å; R216-A220 PolarHBondContact O-N 3.1Å; E217-A220 PolarHBondContact O-N 2.88Å; A220-A222 PolarHBondContact O-N 3.29Å; A220-V224 VanDerWaalsContact O-CB 3.27Å; A220-V224 WeakPolarHBondContact O-CB 3.15Å; A220-V224 WeakPolarHBondContact O-CG2 3.4Å; A220-V224 PolarHBondContact O-N 2.89Å
221K69.2Low68.9Low138 Ų13867.6 Ų67.660%0.637%0.366SS*.Hα-helixtrans-62.8-39175.9-72.1168.8-173.7163.80113.2E217 A218 R219 L225E217-K221 WeakPolarHBondContact O-CG 3.02Å; E217-K221 PolarHBondContact O-N 3.13Å; A218-K221 PolarHBondContact O-N 2.88Å; R219-K221 VanDerWaalsContact C-N 3.28Å; R219-K221 PolarHBondContact O-N 3.41Å; K221-L225 PolarHBondContact O-N 3.3Å
222A69.4Low67.8Low21 Ų2166.9 Ų66.917%0.17436%0.362CS..Hα-helixtrans-71.6-43-178.100000112.5A218 R219 A220 L225 E226 A234A218-A222 PolarHBondContact O-N 3.35Å; R219-A222 PolarHBondContact O-N 3.06Å; A220-A222 PolarHBondContact O-N 3.29Å; A222-L225 WeakPolarHBondContact O-CB 3.05Å; A222-L225 PolarHBondContact O-N 3.2Å; A222-L225 VanDerWaalsContact O-N 3.16Å; A222-E226 PolarHBondContact O-N 3.22Å; A222-E226 VanDerWaalsContact O-N 3.14Å; A222-A234 HydrophobicContact CB-CB 3.7Å
223H71Confident67Low14 Ų1468.2 Ų68.27%0.06537%0.366CS..Hα-helixtrans-72.4-32.7177.3179.4-126.1000112.3E46 F49 Q52 R219 L225 E226 M227E46-H223 WeakPolarHBondContact OE2-CB 3.42Å; E46-H223 IonicContact OE2-CE1 2.85Å; E46-H223 IonicContact OE2-CG 2.81Å; E46-H223 IonicContact OE2-ND1 3.68Å; E46-H223 PolarHBondContact OE2-ND1 2.95Å; F49-H223 AromaticContact CD1-ND1 3.54Å; F49-H223 AromaticContact CE1-CE1 3.8Å; F49-H223 AromaticContact CE1-ND1 3.32Å; F49-H223 VanDerWaalsContact CE1-ND1 3.32Å; F49-H223 WeakPolarHBondContact CE1-ND1 3.21Å; Q52-H223 PolarHBondContact NE2-CE1 3.26Å; Q52-H223 PolarHBondContact NE2-NE2 3Å; R219-H223 PolarHBondContact O-N 3.27Å; H223-L225 PolarHBondContact O-N 2.96Å; H223-E226 IonicContact CD2-OE2 3.12Å; H223-E226 WeakPolarHBondContact O-CB 3.46Å; H223-E226 PolarHBondContact O-N 3.14Å; H223-M227 PolarHBondContact O-N 3.37Å
224V73.1Confident66.2Low28 Ų2866.1 Ų66.117%0.1736%0.362CS..Hα-helixtrans-52.8-47165.4162.30000110.5F49 F118 A220 E226 M227 V228F49-V224 HydrophobicContact CD1-CG2 4.4Å; F49-V224 HydrophobicContact CD2-CG2 3.89Å; F49-V224 HydrophobicContact CE1-CG2 3.95Å; F49-V224 HydrophobicContact CE2-CG2 3.44Å; F49-V224 VanDerWaalsContact CE2-CG2 3.44Å; F49-V224 HydrophobicContact CG-CG2 4.38Å; F49-V224 HydrophobicContact CZ-CB 4.28Å; F49-V224 HydrophobicContact CZ-CG2 3.45Å; F49-V224 VanDerWaalsContact CZ-CG2 3.45Å; F118-V224 HydrophobicContact CD2-CG1 3.55Å; F118-V224 HydrophobicContact CE1-CG1 4.38Å; F118-V224 HydrophobicContact CE2-CB 3.92Å; F118-V224 HydrophobicContact CE2-CG1 3.24Å; F118-V224 HydrophobicContact CE2-CG2 3.54Å; F118-V224 HydrophobicContact CG-CG1 4.23Å; F118-V224 HydrophobicContact CZ-CB 4.22Å; F118-V224 HydrophobicContact CZ-CG1 3.69Å; F118-V224 HydrophobicContact CZ-CG2 3.44Å; F118-V224 VanDerWaalsContact CZ-CG2 3.44Å; A220-V224 VanDerWaalsContact O-CB 3.27Å; A220-V224 WeakPolarHBondContact O-CB 3.15Å; A220-V224 WeakPolarHBondContact O-CG2 3.4Å; A220-V224 PolarHBondContact O-N 2.89Å; V224-E226 VanDerWaalsContact C-N 3.3Å; V224-E226 PolarHBondContact O-N 3.05Å; V224-M227 PolarHBondContact O-N 3.36Å; V224-V228 HydrophobicContact CG1-CG2 4.09Å; V224-V228 WeakPolarHBondContact O-CB 3.37Å; V224-V228 WeakPolarHBondContact O-CG2 3.35Å; V224-V228 PolarHBondContact O-N 3.05Å
225L70.6Confident65.2Low65 Ų6571.3 Ų71.334%0.3438%0.377SS..Hα-helixtrans-68.1-30.3-177.1-15762.6000112.5K221 A222 H223 G229 D230 L231K221-L225 PolarHBondContact O-N 3.3Å; A222-L225 WeakPolarHBondContact O-CB 3.05Å; A222-L225 PolarHBondContact O-N 3.2Å; A222-L225 VanDerWaalsContact O-N 3.16Å; H223-L225 PolarHBondContact O-N 2.96Å; L225-G229 PolarHBondContact O-N 3.35Å; L225-D230 HydrophobicContact CD1-CB 3.4Å; L225-D230 HydrophobicContact CG-CB 3.73Å; L225-D230 PolarHBondContact O-N 2.89Å; L225-L231 HydrophobicContact CB-CB 4.4Å; L225-L231 HydrophobicContact CB-CD1 3.95Å; L225-L231 HydrophobicContact CB-CG 4.1Å; L225-L231 HydrophobicContact CD2-CB 4.48Å; L225-L231 HydrophobicContact CD2-CD1 3.43Å; L225-L231 VanDerWaalsContact CD2-CD1 3.43Å; L225-L231 HydrophobicContact CD2-CD2 4.27Å; L225-L231 HydrophobicContact CD2-CG 3.41Å; L225-L231 VanDerWaalsContact CD2-CG 3.41Å; L225-L231 HydrophobicContact CG-CB 4.23Å; L225-L231 HydrophobicContact CG-CD1 3.92Å; L225-L231 HydrophobicContact CG-CG 3.65Å; L225-L231 PolarHBondContact O-N 3.27Å; L225-L231 VanDerWaalsContact O-N 3.12Å
226E70Confident64.1Low76 Ų7671.5 Ų71.536%0.35537%0.37SS..Hα-helixtrans-67.2-50.7170.5-175.9-177.9165.800111.9A222 H223 V224 V228 G229A222-E226 PolarHBondContact O-N 3.22Å; A222-E226 VanDerWaalsContact O-N 3.14Å; H223-E226 IonicContact CD2-OE2 3.12Å; H223-E226 WeakPolarHBondContact O-CB 3.46Å; H223-E226 PolarHBondContact O-N 3.14Å; V224-E226 VanDerWaalsContact C-N 3.3Å; V224-E226 PolarHBondContact O-N 3.05Å; E226-V228 VanDerWaalsContact C-N 3.27Å; E226-V228 PolarHBondContact O-N 3.2Å; E226-G229 WeakPolarHBondContact O-CA 3.12Å; E226-G229 PolarHBondContact O-N 2.92Å
227M71.1Confident63.5Low20 Ų2073.8 Ų73.810%0.09938%0.383CS..Hα-helixtrans-63.9-34.7178.1-70.2-168.671.200112.5F49 V50 Q52 F109 L119 H123 H223 V224 G229F49-M227 HydrophobicContact CE1-CG 4.43Å; F49-M227 HydrophobicContact CE1-SD 3.45Å; F49-M227 WeakPolarHBondContact CE1-SD 3.42Å; F49-M227 HydrophobicContact CZ-CG 4.46Å; F49-M227 HydrophobicContact CZ-SD 3.51Å; F49-M227 VanDerWaalsContact CZ-SD 3.51Å; V50-M227 HydrophobicContact CG2-CE 4.49Å; V50-M227 HydrophobicContact CG2-SD 3.86Å; Q52-M227 PolarHBondContact NE2-SD 2.74Å; F109-M227 HydrophobicContact CD1-CE 3.58Å; F109-M227 HydrophobicContact CE1-CE 3.44Å; F109-M227 VanDerWaalsContact CE1-CE 3.44Å; F109-M227 HydrophobicContact CE2-CE 4.4Å; F109-M227 HydrophobicContact CG-CE 4.11Å; F109-M227 HydrophobicContact CZ-CE 3.88Å; L119-M227 HydrophobicContact CD1-CE 3.95Å; L119-M227 HydrophobicContact CD1-SD 4.4Å; L119-M227 HydrophobicContact CD2-CB 3.66Å; L119-M227 HydrophobicContact CD2-CE 4.36Å; H123-M227 PolarHBondContact NE2-O 3.16Å; H223-M227 PolarHBondContact O-N 3.37Å; V224-M227 PolarHBondContact O-N 3.36Å; M227-G229 PolarHBondContact O-N 3.04Å
228V73.2Confident63Low19 Ų1970.8 Ų70.812%0.11537%0.373CS..THydrogen-bonded Turntrans-66.3-17173.11620000111.3F118 L119 K122 V224 E226 D230F118-V228 HydrophobicContact CB-CG2 4.39Å; F118-V228 HydrophobicContact CD2-CG2 3.7Å; F118-V228 HydrophobicContact CG-CG2 4.47Å; L119-V228 HydrophobicContact CD2-CG2 4.17Å; K122-V228 HydrophobicContact CD-CB 4.32Å; K122-V228 HydrophobicContact CD-CG1 4.42Å; K122-V228 HydrophobicContact CD-CG2 4.43Å; K122-V228 WeakPolarHBondContact CD-O 3.36Å; K122-V228 PolarHBondContact NZ-O 2.98Å; V224-V228 HydrophobicContact CG1-CG2 4.09Å; V224-V228 WeakPolarHBondContact O-CB 3.37Å; V224-V228 WeakPolarHBondContact O-CG2 3.35Å; V224-V228 PolarHBondContact O-N 3.05Å; E226-V228 VanDerWaalsContact C-N 3.27Å; E226-V228 PolarHBondContact O-N 3.2Å; V228-D230 VanDerWaalsContact C-N 3.32Å; V228-D230 HydrophobicContact CG1-CB 4.03Å; V228-D230 VanDerWaalsContact CG1-CG 3.45Å; V228-D230 WeakPolarHBondContact CG1-OD2 3.39Å
229G63.4Low62.7Low61 Ų6170.6 Ų70.663%0.62937%0.372SS*.THydrogen-bonded Turntrans78.913.3-179.100000114.1L225 E226 M227L225-G229 PolarHBondContact O-N 3.35Å; E226-G229 WeakPolarHBondContact O-CA 3.12Å; E226-G229 PolarHBondContact O-N 2.92Å; M227-G229 PolarHBondContact O-N 3.04Å
230D58.4Low62.8Low105 Ų10568.5 Ų68.556%0.56137%0.369SS*.SBendtrans-90.1-20.1-178.8-75.6-10.7000112.2L225 V228L225-D230 HydrophobicContact CD1-CB 3.4Å; L225-D230 HydrophobicContact CG-CB 3.73Å; L225-D230 PolarHBondContact O-N 2.89Å; V228-D230 VanDerWaalsContact C-N 3.32Å; V228-D230 HydrophobicContact CG1-CB 4.03Å; V228-D230 VanDerWaalsContact CG1-CG 3.45Å; V228-D230 WeakPolarHBondContact CG1-OD2 3.39Å
231L52.6Low63.4Low26 Ų2670 Ų7014%0.13637%0.373CS..  trans-121143.8168.6-78-178.4000111.1L225 V320L225-L231 HydrophobicContact CB-CB 4.4Å; L225-L231 HydrophobicContact CB-CD1 3.95Å; L225-L231 HydrophobicContact CB-CG 4.1Å; L225-L231 HydrophobicContact CD2-CB 4.48Å; L225-L231 HydrophobicContact CD2-CD1 3.43Å; L225-L231 VanDerWaalsContact CD2-CD1 3.43Å; L225-L231 HydrophobicContact CD2-CD2 4.27Å; L225-L231 HydrophobicContact CD2-CG 3.41Å; L225-L231 VanDerWaalsContact CD2-CG 3.41Å; L225-L231 HydrophobicContact CG-CB 4.23Å; L225-L231 HydrophobicContact CG-CD1 3.92Å; L225-L231 HydrophobicContact CG-CG 3.65Å; L225-L231 PolarHBondContact O-N 3.27Å; L225-L231 VanDerWaalsContact O-N 3.12Å; L231-V320 HydrophobicContact CD2-CG2 4.08Å
232H51.9Low64.1Low121 Ų12164.5 Ų64.556%0.5635%0.352SS*.SBendtrans-74.6-34.7171.2-75.5-64.7000111.8
233F53.7Low65Low139 Ų13963.5 Ų63.561%0.6134%0.344SS*.SBendtrans-150.4142.3175-66.7-74.9000111.2E235 E236F233-E235 PolarHBondContact O-N 3.05Å; F233-E236 WeakPolarHBondContact O-CB 3.32Å; F233-E236 PolarHBondContact O-N 3.12Å
234A53.1Low65.8Low43 Ų4365.6 Ų65.636%0.35535%0.352SS..THydrogen-bonded Turntrans-54.4-25-179.200000115.2A222A222-A234 HydrophobicContact CB-CB 3.7Å
235E53Low66.6Low165 Ų16564.2 Ų64.277%0.77134%0.344SS*.THydrogen-bonded Turntrans-96.87-179-61.9-166.6157.200114.4F233 K237F233-E235 PolarHBondContact O-N 3.05Å; E235-K237 PolarHBondContact O-N 2.68Å
236E49.9Very low67.5Low49 Ų4962.2 Ų62.223%0.22934%0.335CS..  trans-71.589.5-178.8-162.1169.6-153.900110.7F233 N323F233-E236 WeakPolarHBondContact O-CB 3.32Å; F233-E236 PolarHBondContact O-N 3.12Å; E236-N323 PolarHBondContact OE1-ND2 2.86Å
237K55.4Low68.4Low165 Ų16566.7 Ų66.772%0.71735%0.349SS*.  trans-67.3140.8173.5-68.2178.9-176.9178.70109.4E235E235-K237 PolarHBondContact O-N 2.68Å
238P58.1Low69.2Low45 Ų4565.7 Ų65.729%0.29234%0.344SS..  trans-57.1150.5170.226.7-33.5000109.8D240 G317 V320P238-D240 PolarHBondContact O-N 3.02Å; P238-G317 VanDerWaalsContact CB-O 3.32Å; P238-G317 WeakPolarHBondContact CB-O 3.32Å; P238-V320 HydrophobicContact CB-CG1 4.28Å
239A63.8Low70Confident55 Ų5566.5 Ų66.546%0.45535%0.348SS..  trans-62.6112.6-176.200000110.5N241 V242A239-N241 PolarHBondContact O-N 3.47Å; A239-V242 HydrophobicContact CB-CG2 3.97Å; A239-V242 PolarHBondContact O-N 2.64Å; A239-V242 VanDerWaalsContact O-N 3.07Å
240D70.2Confident71.1Confident63 Ų6366.3 Ų66.334%0.33734%0.34SS..THydrogen-bonded Turntrans-59.4-7.4179.8-64.1-9.6000113.9P238 R292 C295P238-D240 PolarHBondContact O-N 3.02Å; D240-R292 IonicContact OD2-CZ 2.7Å; D240-R292 IonicContact OD2-NH1 3.46Å; D240-R292 PolarHBondContact OD2-NH1 3.11Å; D240-R292 IonicContact OD2-NH2 2.63Å; D240-C295 PolarHBondContact O-SG 3.32Å; D240-C295 VanDerWaalsContact O-SG 3.39Å
241N79.5Confident72.5Confident51 Ų5166.6 Ų66.627%0.27335%0.345SS..THydrogen-bonded Turntrans-98.21.3-178.4-61.7-13.2000113.6A239 E288 F289 R292A239-N241 PolarHBondContact O-N 3.47Å; N241-E288 WeakPolarHBondContact O-CA 3.27Å; N241-F289 WeakPolarHBondContact CB-O 3.23Å; N241-F289 PolarHBondContact O-N 3.2Å; N241-R292 VanDerWaalsContact OD1-CA 3.25Å; N241-R292 WeakPolarHBondContact OD1-CA 3.38Å; N241-R292 VanDerWaalsContact OD1-CB 3.29Å; N241-R292 WeakPolarHBondContact OD1-CB 3.2Å; N241-R292 PolarHBondContact OD1-N 3.42Å
242V85.5Confident74.2Confident24 Ų2465.6 Ų65.615%0.14534%0.34CS..EExtended strand (participates in β ladder)trans-105127.6180-176.70000109.6A239 F286 I287 E288 G317A239-V242 HydrophobicContact CB-CG2 3.97Å; A239-V242 PolarHBondContact O-N 2.64Å; A239-V242 VanDerWaalsContact O-N 3.07Å; V242-F286 HydrophobicContact CG1-CB 4.32Å; V242-F286 HydrophobicContact CG1-CD1 4.16Å; V242-I287 CarbonylContact C-O 3.55Å; V242-I287 WeakPolarHBondContact CA-O 3.05Å; V242-E288 HydrophobicContact CG2-CB 4.29Å; V242-E288 HydrophobicContact CG2-CG 4.15Å; V242-G317 WeakPolarHBondContact O-CA 3.18Å; V242-G317 PolarHBondContact O-N 3.43Å
243L87.1Confident76Confident0 Ų062.8 Ų62.80%033%0.332CS..EExtended strand (participates in β ladder)trans-98.9137.8168.8-64.8-177.8000110.5F261 F286 I287 F289 C295 A298 F299 V314 D315 F316L243-F261 HydrophobicContact CD1-CD1 4.37Å; L243-F261 HydrophobicContact CD1-CE1 4.15Å; L243-F286 WeakPolarHBondContact O-CA 3.07Å; L243-I287 PolarHBondContact N-O 3.44Å; L243-I287 PolarHBondContact O-N 3.02Å; L243-F289 HydrophobicContact CD1-CD2 4.34Å; L243-F289 HydrophobicContact CD1-CE2 3.71Å; L243-F289 HydrophobicContact CG-CD2 4.49Å; L243-F289 HydrophobicContact CG-CE2 4.28Å; L243-C295 WeakPolarHBondContact CD2-SG 3.49Å; L243-C295 VanDerWaalsContact CG-SG 3.52Å; L243-A298 HydrophobicContact CD1-CB 3.8Å; L243-F299 HydrophobicContact CD2-CB 4.01Å; L243-V314 HydrophobicContact CB-CG1 4.24Å; L243-V314 HydrophobicContact CD1-CG1 3.95Å; L243-V314 HydrophobicContact CD2-CG1 4.23Å; L243-V314 HydrophobicContact CG-CG1 4.38Å; L243-D315 CarbonylContact C-O 3.42Å; L243-D315 WeakPolarHBondContact CA-O 3.45Å; L243-F316 HydrophobicContact CD2-CD1 3.93Å; L243-F316 HydrophobicContact CD2-CE1 4.05Å
244F88.8Confident77.8Confident57 Ų5759.6 Ų59.625%0.2532%0.319CS..EExtended strand (participates in β ladder)trans-96.9120.7165.9173.2-109.6000108.9C246 Y284 F286 V314 D315F244-C246 HydrophobicContact CD1-CB 4.41Å; F244-C246 HydrophobicContact CE1-CB 3.57Å; F244-C246 HydrophobicContact CZ-CB 3.67Å; F244-Y284 AromaticContact CE2-CD2 3.69Å; F244-Y284 HydrophobicContact CE2-CD2 3.69Å; F244-Y284 AromaticContact CE2-CG 3.91Å; F244-Y284 HydrophobicContact CE2-CG 3.91Å; F244-Y284 HydrophobicContact CZ-CG 4.37Å; F244-F286 HydrophobicContact CB-CD1 4.38Å; F244-F286 HydrophobicContact CB-CE1 4.17Å; F244-F286 HydrophobicContact CD2-CD1 4.14Å; F244-F286 AromaticContact CD2-CE1 3.53Å; F244-F286 HydrophobicContact CD2-CE1 3.53Å; F244-F286 HydrophobicContact CD2-CE2 4.48Å; F244-F286 AromaticContact CD2-CZ 3.73Å; F244-F286 HydrophobicContact CD2-CZ 3.73Å; F244-F286 HydrophobicContact CE2-CE1 4.38Å; F244-F286 HydrophobicContact CE2-CZ 4.14Å; F244-F286 HydrophobicContact CG-CE1 4.28Å; F244-V314 CarbonylContact O-C 3.57Å; F244-V314 WeakPolarHBondContact O-CA 3.29Å; F244-D315 HydrophobicContact CD1-CB 4.29Å; F244-D315 PolarHBondContact N-O 3.21Å; F244-D315 PolarHBondContact O-N 3.18Å
245V88.6Confident79.5Confident0 Ų063.3 Ų63.30%033%0.333CS..EExtended strand (participates in β ladder)trans-112.6124177.1-173.90000108.2L248 F261 Y284 A285 I287 I312 H313 V314V245-L248 HydrophobicContact CG1-CD1 4.44Å; V245-L248 HydrophobicContact CG1-CD2 3.83Å; V245-L248 HydrophobicContact CG1-CG 4.14Å; V245-F261 HydrophobicContact CG1-CZ 4.47Å; V245-F261 HydrophobicContact CG2-CE1 4.28Å; V245-F261 HydrophobicContact CG2-CE2 4.2Å; V245-F261 HydrophobicContact CG2-CZ 3.7Å; V245-Y284 CarbonylContact O-C 3.52Å; V245-Y284 WeakPolarHBondContact O-CA 3.13Å; V245-Y284 WeakPolarHBondContact O-CB 3.46Å; V245-A285 PolarHBondContact N-O 2.95Å; V245-A285 PolarHBondContact O-N 2.9Å; V245-I287 HydrophobicContact CG2-CD1 3.84Å; V245-I287 HydrophobicContact CG2-CG1 4.37Å; V245-I312 HydrophobicContact CG1-CB 4.17Å; V245-I312 HydrophobicContact CG1-CD1 3.88Å; V245-H313 WeakPolarHBondContact CA-O 3.5Å; V245-V314 HydrophobicContact CG1-CG2 4.35Å; V245-V314 HydrophobicContact CG2-CG1 4.35Å; V245-V314 HydrophobicContact CG2-CG2 4.29Å
246C89.7Confident81.3Confident22 Ų2258.2 Ų58.215%0.14931%0.311CS..EExtended strand (participates in β ladder)trans-125.5172.7178.972.40000112.5F244 L248 H313F244-C246 HydrophobicContact CD1-CB 4.41Å; F244-C246 HydrophobicContact CE1-CB 3.57Å; F244-C246 HydrophobicContact CZ-CB 3.67Å; C246-L248 PolarHBondContact O-N 2.76Å; C246-H313 PolarHBondContact N-O 3.39Å; C246-H313 PolarHBondContact O-N 3.26Å
247R89.1Confident83.3Confident170 Ų17055.9 Ų55.964%0.64230%0.3SS*.SBendtrans61.130-173.2-57.9-178.2176.5160.51.8113.5Q283R247-Q283 PolarHBondContact N-O 3.1Å; R247-Q283 VanDerWaalsContact N-O 3.11Å
248L89Confident84.9Confident0 Ų049.8 Ų49.80%028%0.28CS..  trans-62.8157.3174.1-67.7167.5000111.2V245 C246 T252 L257 Q283 A285 R310 I312V245-L248 HydrophobicContact CG1-CD1 4.44Å; V245-L248 HydrophobicContact CG1-CD2 3.83Å; V245-L248 HydrophobicContact CG1-CG 4.14Å; C246-L248 PolarHBondContact O-N 2.76Å; L248-T252 HydrophobicContact CD2-CG2 4.43Å; L248-L257 HydrophobicContact CD1-CD1 3.93Å; L248-L257 HydrophobicContact CD2-CD1 4.38Å; L248-L257 HydrophobicContact CD2-CD2 3.79Å; L248-Q283 PolarHBondContact N-O 2.83Å; L248-Q283 WeakPolarHBondContact O-CB 3.44Å; L248-Q283 WeakPolarHBondContact O-CG 3.38Å; L248-A285 HydrophobicContact CD1-CB 3.63Å; L248-R310 PolarHBondContact O-NH1 3.32Å; L248-I312 HydrophobicContact CD2-CG2 3.72Å
249N88.4Confident86.4Confident36 Ų3653 Ų5319%0.19329%0.294CS..  trans-74.3145.2165.6-163.7-24000108.9V251 T252 D308 R310N249-V251 PolarHBondContact O-N 3.08Å; N249-V251 PolarHBondContact OD1-N 2.82Å; N249-T252 WeakPolarHBondContact CB-OG1 3.25Å; N249-T252 WeakPolarHBondContact O-CB 3.21Å; N249-T252 PolarHBondContact O-N 3.07Å; N249-T252 PolarHBondContact O-OG1 2.84Å; N249-D308 HydrophobicContact CB-CB 3.86Å; N249-D308 PolarHBondContact ND2-O 3.38Å; N249-R310 HydrophobicContact CB-CG 4.32Å
250A86.9Confident87.6Confident56 Ų5652.4 Ų52.446%0.46328%0.282SS..THydrogen-bonded Turntrans-65-18.4176.800000112.5
251V88.6Confident88.6Confident111 Ų11149.4 Ų49.467%0.67327%0.266SS*.THydrogen-bonded Turntrans-82.9-25.8176.8-173.90000112.2N249 T253N249-V251 PolarHBondContact O-N 3.08Å; N249-V251 PolarHBondContact OD1-N 2.82Å; V251-T253 PolarHBondContact O-N 3.19Å
252T88.8Confident89.1Confident6 Ų648.7 Ų48.74%0.03727%0.272CS..  trans-63.5129.9-177.2-49.70000110.6L248 N249 D256 L257 I272 I307 D308L248-T252 HydrophobicContact CD2-CG2 4.43Å; N249-T252 WeakPolarHBondContact CB-OG1 3.25Å; N249-T252 WeakPolarHBondContact O-CB 3.21Å; N249-T252 PolarHBondContact O-N 3.07Å; N249-T252 PolarHBondContact O-OG1 2.84Å; T252-D256 HydrophobicContact CG2-CB 4.08Å; T252-L257 HydrophobicContact CG2-CD2 4.11Å; T252-L257 HydrophobicContact CG2-CG 4.11Å; T252-I272 WeakPolarHBondContact O-CD1 3.44Å; T252-I307 HydrophobicContact CG2-CG2 4.2Å; T252-D308 WeakPolarHBondContact CB-OD2 3.36Å; T252-D308 PolarHBondContact OG1-OD2 2.86Å
253T90Very high89.3Confident62 Ų6257.3 Ų57.338%0.3830%0.301SS..  trans-102.8166.7-178.468.90000112.7V251 D255 D256 L257V251-T253 PolarHBondContact O-N 3.19Å; T253-D255 PolarHBondContact O-N 2.85Å; T253-D256 WeakPolarHBondContact CB-OD2 3.48Å; T253-D256 PolarHBondContact N-OD2 2.87Å; T253-D256 PolarHBondContact O-N 3.39Å; T253-D256 PolarHBondContact OG1-N 2.81Å; T253-D256 PolarHBondContact OG1-OD2 3.28Å; T253-L257 PolarHBondContact O-N 3.43Å
254E89.9Confident89.5Confident71 Ų7159 Ų5933%0.33231%0.309SS..Hα-helixtrans-61.3-36.3176.8-74.5165.1-16800111.4L257 A258 I272E254-L257 PolarHBondContact O-N 3.37Å; E254-A258 WeakPolarHBondContact O-CB 3.49Å; E254-A258 PolarHBondContact O-N 3.07Å; E254-I272 HydrophobicContact CG-CB 3.91Å; E254-I272 HydrophobicContact CG-CD1 3.9Å; E254-I272 HydrophobicContact CG-CG1 3.6Å; E254-I272 PolarHBondContact OE1-N 3.1Å
255D90.5Very high89.5Confident121 Ų12157.4 Ų57.465%0.64731%0.308SS*.Hα-helixtrans-64.9-40.8176.8-65.7-33.9000111.4T253 L257 A258 I259T253-D255 PolarHBondContact O-N 2.85Å; D255-L257 VanDerWaalsContact C-N 3.35Å; D255-L257 PolarHBondContact O-N 2.77Å; D255-A258 PolarHBondContact O-N 3.3Å; D255-I259 WeakPolarHBondContact O-CD1 3.48Å; D255-I259 VanDerWaalsContact O-CG1 3.25Å; D255-I259 WeakPolarHBondContact O-CG1 3.36Å; D255-I259 PolarHBondContact O-N 2.82Å
256D90.8Very high89.6Confident59 Ų5964.2 Ų64.232%0.31634%0.34SS..Hα-helixtrans-61.9-44.8176.9-58.7-47.6000110.8T252 T253 I259 I260T252-D256 HydrophobicContact CG2-CB 4.08Å; T253-D256 WeakPolarHBondContact CB-OD2 3.48Å; T253-D256 PolarHBondContact N-OD2 2.87Å; T253-D256 PolarHBondContact O-N 3.39Å; T253-D256 PolarHBondContact OG1-N 2.81Å; T253-D256 PolarHBondContact OG1-OD2 3.28Å; D256-I259 PolarHBondContact O-N 2.77Å; D256-I260 WeakPolarHBondContact O-CB 3.38Å; D256-I260 WeakPolarHBondContact O-CD1 3.11Å; D256-I260 WeakPolarHBondContact O-CG1 3.36Å; D256-I260 PolarHBondContact O-N 2.92Å
257L90Very high89.5Confident0 Ų065 Ų650%034%0.342CS..Hα-helixtrans-64.6-43176.4-69.1179.7000111.8L248 T252 T253 E254 D255 I259 I260 F261 I272 A285 I287L248-L257 HydrophobicContact CD1-CD1 3.93Å; L248-L257 HydrophobicContact CD2-CD1 4.38Å; L248-L257 HydrophobicContact CD2-CD2 3.79Å; T252-L257 HydrophobicContact CG2-CD2 4.11Å; T252-L257 HydrophobicContact CG2-CG 4.11Å; T253-L257 PolarHBondContact O-N 3.43Å; E254-L257 PolarHBondContact O-N 3.37Å; D255-L257 VanDerWaalsContact C-N 3.35Å; D255-L257 PolarHBondContact O-N 2.77Å; L257-I259 VanDerWaalsContact C-N 3.29Å; L257-I259 PolarHBondContact O-N 2.66Å; L257-I260 PolarHBondContact O-N 2.86Å; L257-F261 HydrophobicContact CD2-CD2 4.3Å; L257-F261 HydrophobicContact CD2-CE2 4.01Å; L257-F261 WeakPolarHBondContact O-CB 3.24Å; L257-F261 WeakPolarHBondContact O-CD2 3.45Å; L257-F261 PolarHBondContact O-N 2.86Å; L257-I272 HydrophobicContact CD1-CD1 3.79Å; L257-I272 HydrophobicContact CD1-CG1 3.76Å; L257-A285 HydrophobicContact CD1-CB 3.58Å; L257-I287 HydrophobicContact CB-CD1 4.33Å
258A89.2Confident89.4Confident37 Ų3761.9 Ų61.931%0.30634%0.338SS..Hα-helixtrans-60.8-38.8177.200000112E254 D255 G262E254-A258 WeakPolarHBondContact O-CB 3.49Å; E254-A258 PolarHBondContact O-N 3.07Å; D255-A258 PolarHBondContact O-N 3.3Å; A258-G262 VanDerWaalsContact O-CA 3.25Å; A258-G262 WeakPolarHBondContact O-CA 3.47Å; A258-G262 PolarHBondContact O-N 3.05Å
259I90.3Very high89.2Confident113 Ų11363.2 Ų63.258%0.57935%0.347SS*.Hα-helixtrans-68.6-42.5176.4-68.5163000111.5D255 D256 L257D255-I259 WeakPolarHBondContact O-CD1 3.48Å; D255-I259 VanDerWaalsContact O-CG1 3.25Å; D255-I259 WeakPolarHBondContact O-CG1 3.36Å; D255-I259 PolarHBondContact O-N 2.82Å; D256-I259 PolarHBondContact O-N 2.77Å; L257-I259 VanDerWaalsContact C-N 3.29Å; L257-I259 PolarHBondContact O-N 2.66Å
260I89.5Confident89.2Confident41 Ų4162.7 Ų62.721%0.2135%0.346CS..Hα-helixtrans-69-51.2-177.3-70.1168.6000110.6D256 L257 M302 I307D256-I260 WeakPolarHBondContact O-CB 3.38Å; D256-I260 WeakPolarHBondContact O-CD1 3.11Å; D256-I260 WeakPolarHBondContact O-CG1 3.36Å; D256-I260 PolarHBondContact O-N 2.92Å; L257-I260 PolarHBondContact O-N 2.86Å; I260-M302 HydrophobicContact CG2-CE 3.16Å; I260-M302 HydrophobicContact CG2-SD 4.07Å; I260-I307 HydrophobicContact CD1-CD1 3.78Å; I260-I307 HydrophobicContact CD1-CG1 4.13Å; I260-I307 HydrophobicContact CD1-CG2 3.88Å; I260-I307 HydrophobicContact CG2-CD1 4.24Å
261F91.5Very high89.3Confident0 Ų064.6 Ų64.60%035%0.345CS..Hα-helixtrans-79.6-24.4-176.8-78.1-93000112.8L243 V245 L257 R263 F264 I267 I287 F289 A298 M302 I312 V314L243-F261 HydrophobicContact CD1-CD1 4.37Å; L243-F261 HydrophobicContact CD1-CE1 4.15Å; V245-F261 HydrophobicContact CG1-CZ 4.47Å; V245-F261 HydrophobicContact CG2-CE1 4.28Å; V245-F261 HydrophobicContact CG2-CE2 4.2Å; V245-F261 HydrophobicContact CG2-CZ 3.7Å; L257-F261 HydrophobicContact CD2-CD2 4.3Å; L257-F261 HydrophobicContact CD2-CE2 4.01Å; L257-F261 WeakPolarHBondContact O-CB 3.24Å; L257-F261 WeakPolarHBondContact O-CD2 3.45Å; L257-F261 PolarHBondContact O-N 2.86Å; F261-R263 PolarHBondContact O-N 3.47Å; F261-F264 WeakPolarHBondContact O-CD2 3.26Å; F261-F264 PolarHBondContact O-N 2.92Å; F261-F264 VanDerWaalsContact O-N 3.08Å; F261-I267 HydrophobicContact CB-CD1 3.75Å; F261-I287 HydrophobicContact CB-CD1 4.11Å; F261-I287 HydrophobicContact CB-CG2 4.44Å; F261-I287 HydrophobicContact CD1-CD1 3.93Å; F261-I287 HydrophobicContact CD2-CD1 3.37Å; F261-I287 HydrophobicContact CE1-CD1 4.18Å; F261-I287 HydrophobicContact CE2-CD1 3.66Å; F261-I287 HydrophobicContact CG-CD1 3.52Å; F261-I287 HydrophobicContact CZ-CD1 4.06Å; F261-F289 HydrophobicContact CB-CZ 3.97Å; F261-F289 HydrophobicContact CD1-CE2 4.35Å; F261-F289 HydrophobicContact CD1-CZ 4.1Å; F261-A298 HydrophobicContact CD1-CB 4.08Å; F261-A298 HydrophobicContact CE1-CB 4.44Å; F261-M302 HydrophobicContact CD1-CG 4.22Å; F261-M302 HydrophobicContact CE1-CB 3.78Å; F261-M302 HydrophobicContact CE1-CG 3.78Å; F261-M302 HydrophobicContact CE2-CE 4.26Å; F261-M302 HydrophobicContact CZ-CB 3.88Å; F261-M302 HydrophobicContact CZ-CE 4.27Å; F261-M302 HydrophobicContact CZ-CG 4.08Å; F261-I312 HydrophobicContact CE2-CD1 4.36Å; F261-I312 HydrophobicContact CZ-CD1 4.07Å; F261-V314 HydrophobicContact CE1-CG2 4.47Å; F261-V314 HydrophobicContact CZ-CG2 4.11Å
262G89.3Confident89.3Confident37 Ų3759.6 Ų59.638%0.38131%0.314SS..THydrogen-bonded Turntrans-64.8-11.217900000114A258 F264A258-G262 VanDerWaalsContact O-CA 3.25Å; A258-G262 WeakPolarHBondContact O-CA 3.47Å; A258-G262 PolarHBondContact O-N 3.05Å; G262-F264 VanDerWaalsContact C-N 3.28Å; G262-F264 PolarHBondContact O-N 3.03Å
263R90.1Very high89.2Confident205 Ų20561.2 Ų61.277%0.77432%0.322SS*.THydrogen-bonded Turntrans-69.8-23.4173.2-65178.8179.7-173.30.1113.5F261F261-R263 PolarHBondContact O-N 3.47Å
264F90.3Very high89.1Confident36 Ų3663.6 Ų63.616%0.15833%0.327CS..THydrogen-bonded Turntrans-93.8-20.1-178-54.8-71.2000112.7F261 G262 F289 S294 E297 A298 K301 M302F261-F264 WeakPolarHBondContact O-CD2 3.26Å; F261-F264 PolarHBondContact O-N 2.92Å; F261-F264 VanDerWaalsContact O-N 3.08Å; G262-F264 VanDerWaalsContact C-N 3.28Å; G262-F264 PolarHBondContact O-N 3.03Å; F264-F289 HydrophobicContact CB-CE1 4.39Å; F264-S294 VanDerWaalsContact O-CB 3.23Å; F264-S294 WeakPolarHBondContact O-CB 3.33Å; F264-S294 PolarHBondContact O-OG 3.45Å; F264-E297 HydrophobicContact CD1-CG 4.17Å; F264-A298 HydrophobicContact CB-CB 3.93Å; F264-A298 HydrophobicContact CD2-CB 3.64Å; F264-A298 HydrophobicContact CE2-CB 4.37Å; F264-A298 HydrophobicContact CG-CB 3.82Å; F264-K301 HydrophobicContact CD1-CD 4.17Å; F264-K301 HydrophobicContact CE1-CB 3.81Å; F264-K301 HydrophobicContact CE1-CD 3.51Å; F264-K301 HydrophobicContact CE1-CG 4.3Å; F264-K301 HydrophobicContact CZ-CB 3.96Å; F264-K301 HydrophobicContact CZ-CD 4.43Å; F264-M302 HydrophobicContact CD2-CG 4.28Å; F264-M302 HydrophobicContact CE2-CG 3.34Å; F264-M302 HydrophobicContact CE2-SD 3.54Å; F264-M302 VanDerWaalsContact CE2-SD 3.54Å; F264-M302 HydrophobicContact CZ-CG 3.71Å; F264-M302 HydrophobicContact CZ-SD 3.66Å
265G89.2Confident88.8Confident22 Ų2262.9 Ų62.923%0.22733%0.326CS..SBendtrans170.8-179.7179.200000113I267G265-I267 PolarHBondContact O-N 3.35Å
266E89.9Confident88.5Confident143 Ų14368.9 Ų68.967%0.66834%0.34SS*.  trans-71.9123.1176.2-171.3174.8-177.400110.6A290E266-A290 HydrophobicContact CB-CB 4.23Å; E266-A290 PolarHBondContact O-N 3.07Å
267I88.4Confident88.1Confident39 Ų3972.4 Ų72.420%0.236%0.363CS..EExtended strand (participates in β ladder)trans-92.6121.6177.2-62.5172.4000108.2F261 G265 S269 C270 I287 E288 F289F261-I267 HydrophobicContact CB-CD1 3.75Å; G265-I267 PolarHBondContact O-N 3.35Å; I267-S269 WeakPolarHBondContact CG2-O 3.49Å; I267-C270 HydrophobicContact CG2-CB 4.17Å; I267-I287 HydrophobicContact CD1-CG2 4.16Å; I267-I287 HydrophobicContact CG1-CG2 4.22Å; I267-I287 HydrophobicContact CG2-CG2 3.97Å; I267-E288 CarbonylContact C-O 3.47Å; I267-E288 WeakPolarHBondContact CA-O 3.49Å; I267-F289 HydrophobicContact CG1-CD1 4.29Å; I267-F289 HydrophobicContact CG1-CE1 3.94Å; I267-F289 HydrophobicContact CG1-CZ 4.32Å
268L86.4Confident87.9Confident105 Ų10577 Ų7755%0.5539%0.391SS..EExtended strand (participates in β ladder)trans-77.9-39.8174.9-68.6176.3000111.5E288 A290L268-E288 HydrophobicContact CB-CB 4.44Å; L268-E288 HydrophobicContact CB-CG 4.15Å; L268-E288 HydrophobicContact CD1-CG 4.24Å; L268-E288 PolarHBondContact N-O 2.87Å; L268-A290 HydrophobicContact CD1-CB 4.33Å; L268-A290 HydrophobicContact CD2-CB 4.2Å; L268-A290 HydrophobicContact CG-CB 4.05Å
269S85Confident87.6Confident28 Ų2877.6 Ų77.620%0.19640%0.4CS..EExtended strand (participates in β ladder)trans-154.7147.4175.464.10000112.4I267 E288 R322I267-S269 WeakPolarHBondContact CG2-O 3.49Å; S269-E288 PolarHBondContact O-N 3.26Å; S269-E288 WeakPolarHBondContact OG-CB 3.44Å; S269-E288 PolarHBondContact OG-OE2 2.83Å; S269-R322 PolarHBondContact OG-NH1 2.87Å; S269-R322 PolarHBondContact OG-NH2 2.89Å
270C88.7Confident87.3Confident24 Ų2474.7 Ų74.716%0.16239%0.393CS..EExtended strand (participates in β ladder)trans-136.7119.1174.9177.10000107.5I267 F286I267-C270 HydrophobicContact CG2-CB 4.17Å; C270-F286 WeakPolarHBondContact CA-O 3.39Å
271E88.2Confident87.1Confident96 Ų9673.8 Ų73.845%0.44939%0.391SS..EExtended strand (participates in β ladder)trans-132.1122.3-175.5-167.9179.5167.600110I273 A285 F286E271-I273 HydrophobicContact CG-CD1 4.15Å; E271-A285 CarbonylContact O-C 3.59Å; E271-A285 VanDerWaalsContact O-CA 3.23Å; E271-A285 WeakPolarHBondContact O-CA 3.45Å; E271-A285 WeakPolarHBondContact O-CB 3.36Å; E271-F286 PolarHBondContact N-O 3.15Å; E271-F286 PolarHBondContact O-N 2.91Å
272I89.8Confident86.9Confident6 Ų677.5 Ų77.53%0.03141%0.41CS..EExtended strand (participates in β ladder)trans-93.5123.8172.5-66.5177.2000108T252 E254 L257 K274 S281 A285T252-I272 WeakPolarHBondContact O-CD1 3.44Å; E254-I272 HydrophobicContact CG-CB 3.91Å; E254-I272 HydrophobicContact CG-CD1 3.9Å; E254-I272 HydrophobicContact CG-CG1 3.6Å; E254-I272 PolarHBondContact OE1-N 3.1Å; L257-I272 HydrophobicContact CD1-CD1 3.79Å; L257-I272 HydrophobicContact CD1-CG1 3.76Å; I272-K274 PolarHBondContact O-N 3.25Å; I272-S281 WeakPolarHBondContact CG2-OG 3.47Å; I272-A285 HydrophobicContact CB-CB 4.5Å; I272-A285 HydrophobicContact CG1-CB 3.83Å
273I87.2Confident86.8Confident40 Ų4079 Ų7921%0.20541%0.407CS..EExtended strand (participates in β ladder)trans-78.3124.3-180-50.3-53.6000109.4E271 L282 Y284 F286E271-I273 HydrophobicContact CG-CD1 4.15Å; I273-L282 HydrophobicContact CG2-CD1 4.02Å; I273-L282 WeakPolarHBondContact O-CB 3.45Å; I273-L282 PolarHBondContact O-N 2.81Å; I273-Y284 HydrophobicContact CB-CD2 4.06Å; I273-Y284 HydrophobicContact CB-CE2 3.47Å; I273-Y284 VanDerWaalsContact CB-CE2 3.47Å; I273-Y284 HydrophobicContact CG1-CD2 3.91Å; I273-Y284 HydrophobicContact CG1-CE2 3.4Å; I273-Y284 VanDerWaalsContact CG1-CE2 3.4Å; I273-Y284 HydrophobicContact CG2-CE2 4.01Å; I273-Y284 WeakPolarHBondContact CG2-OH 3.35Å; I273-Y284 PolarHBondContact N-O 3.23Å; I273-Y284 VanDerWaalsContact N-O 3.1Å; I273-F286 HydrophobicContact CD1-CD2 4.17Å; I273-F286 HydrophobicContact CD1-CE2 4.44Å; I273-F286 HydrophobicContact CG1-CD2 4.01Å; I273-F286 HydrophobicContact CG1-CE2 3.97Å
274K87.8Confident86.8Confident112 Ų11272.8 Ų72.849%0.48738%0.384SS..EExtended strand (participates in β ladder)trans-112.3147.7178.6-62.6172.6-171.1169.40109.4I272 R276 A280I272-K274 PolarHBondContact O-N 3.25Å; K274-R276 PolarHBondContact O-N 3.26Å; K274-A280 CarbonylContact C-O 3.48Å; K274-A280 VanDerWaalsContact CA-O 3.28Å; K274-A280 WeakPolarHBondContact CA-O 3.23Å
275D83.4Confident86.8Confident56 Ų5671 Ų7130%0.29938%0.377SS..  trans-60.6124.2171175.56.7000109V277 T278 G279 A280 L282D275-V277 PolarHBondContact O-N 3.38Å; D275-V277 PolarHBondContact OD1-N 3.11Å; D275-V277 VanDerWaalsContact OD1-N 3.12Å; D275-T278 WeakPolarHBondContact CB-OG1 3.1Å; D275-T278 VanDerWaalsContact CG-OG1 3.27Å; D275-T278 WeakPolarHBondContact OD2-CG2 3.21Å; D275-T278 PolarHBondContact OD2-OG1 2.89Å; D275-G279 VanDerWaalsContact O-CA 3.24Å; D275-G279 WeakPolarHBondContact O-CA 3.35Å; D275-G279 PolarHBondContact O-N 3.34Å; D275-A280 PolarHBondContact N-O 2.84Å; D275-L282 HydrophobicContact CB-CD2 4Å; D275-L282 HydrophobicContact CB-CG 4.38Å
276R82.9Confident86.8Confident248 Ų24872.9 Ų72.994%0.93638%0.379SS*.THydrogen-bonded Turntrans-60.4-28.2-175.2-174.2177.5176.9-169.3-1.2112.9K274K274-R276 PolarHBondContact O-N 3.26Å
277V83.5Confident86.8Confident133 Ų13366.1 Ų66.181%0.80635%0.347SS*.THydrogen-bonded Turntrans-90.5-49.9-176.4-176.10000111.1D275D275-V277 PolarHBondContact O-N 3.38Å; D275-V277 PolarHBondContact OD1-N 3.11Å; D275-V277 VanDerWaalsContact OD1-N 3.12Å
278T84.5Confident86.8Confident97 Ų9766.6 Ų66.660%0.59535%0.348SS*.THydrogen-bonded Turntrans-89.9-16.6-173.462.60000113.5D275 A280D275-T278 WeakPolarHBondContact CB-OG1 3.1Å; D275-T278 VanDerWaalsContact CG-OG1 3.27Å; D275-T278 WeakPolarHBondContact OD2-CG2 3.21Å; D275-T278 PolarHBondContact OD2-OG1 2.89Å; T278-A280 PolarHBondContact O-N 3.4Å; T278-A280 WeakPolarHBondContact OG1-CB 3.49Å; T278-A280 PolarHBondContact OG1-N 3Å
279G83Confident86.9Confident48 Ų4861.6 Ų61.650%0.49532%0.322SS..  trans68.92.5-170.700000113.7D275D275-G279 VanDerWaalsContact O-CA 3.24Å; D275-G279 WeakPolarHBondContact O-CA 3.35Å; D275-G279 PolarHBondContact O-N 3.34Å
280A84.7Confident87Confident52 Ų5261.8 Ų61.843%0.4333%0.325SS..  trans-70.5140.1-179.100000110.7K274 D275 T278 L282K274-A280 CarbonylContact C-O 3.48Å; K274-A280 VanDerWaalsContact CA-O 3.28Å; K274-A280 WeakPolarHBondContact CA-O 3.23Å; D275-A280 PolarHBondContact N-O 2.84Å; T278-A280 PolarHBondContact O-N 3.4Å; T278-A280 WeakPolarHBondContact OG1-CB 3.49Å; T278-A280 PolarHBondContact OG1-N 3Å; A280-L282 PolarHBondContact O-N 3.1Å
281S86Confident86.9Confident22 Ų2265.3 Ų65.315%0.15434%0.343CS..EExtended strand (participates in β ladder)trans-62128.3173.9178.80000110.4I272 Q283I272-S281 WeakPolarHBondContact CG2-OG 3.47Å; S281-Q283 PolarHBondContact O-N 3.06Å; S281-Q283 PolarHBondContact OG-N 3.38Å
282L87.2Confident86.7Confident79 Ų7966.9 Ų66.941%0.41435%0.345SS..EExtended strand (participates in β ladder)trans-79.77172.2-64.5177.9000112.4I273 D275 A280 Y284I273-L282 HydrophobicContact CG2-CD1 4.02Å; I273-L282 WeakPolarHBondContact O-CB 3.45Å; I273-L282 PolarHBondContact O-N 2.81Å; D275-L282 HydrophobicContact CB-CD2 4Å; D275-L282 HydrophobicContact CB-CG 4.38Å; A280-L282 PolarHBondContact O-N 3.1Å; L282-Y284 HydrophobicContact CB-CD1 3.8Å; L282-Y284 HydrophobicContact CB-CE1 3.37Å; L282-Y284 HydrophobicContact CD1-CE1 3.93Å; L282-Y284 HydrophobicContact CG-CE1 4.29Å; L282-Y284 VanDerWaalsContact O-CD1 3.26Å; L282-Y284 WeakPolarHBondContact O-CD1 3.5Å; L282-Y284 PolarHBondContact O-N 2.94Å
283Q87.3Confident86.6Confident69 Ų6969.9 Ų69.932%0.32237%0.37SS..EExtended strand (participates in β ladder)trans66.423.9172.7-55.8171.15.600114.1R247 L248 S281R247-Q283 PolarHBondContact N-O 3.1Å; R247-Q283 VanDerWaalsContact N-O 3.11Å; L248-Q283 PolarHBondContact N-O 2.83Å; L248-Q283 WeakPolarHBondContact O-CB 3.44Å; L248-Q283 WeakPolarHBondContact O-CG 3.38Å; S281-Q283 PolarHBondContact O-N 3.06Å; S281-Q283 PolarHBondContact OG-N 3.38Å
284Y90.5Very high86.6Confident73 Ų7368.8 Ų68.829%0.28637%0.366SS..EExtended strand (participates in β ladder)trans-139.7154.4168.165.6-92.8000111.8F244 V245 I273 L282 F286F244-Y284 AromaticContact CE2-CD2 3.69Å; F244-Y284 HydrophobicContact CE2-CD2 3.69Å; F244-Y284 AromaticContact CE2-CG 3.91Å; F244-Y284 HydrophobicContact CE2-CG 3.91Å; F244-Y284 HydrophobicContact CZ-CG 4.37Å; V245-Y284 CarbonylContact O-C 3.52Å; V245-Y284 WeakPolarHBondContact O-CA 3.13Å; V245-Y284 WeakPolarHBondContact O-CB 3.46Å; I273-Y284 HydrophobicContact CB-CD2 4.06Å; I273-Y284 HydrophobicContact CB-CE2 3.47Å; I273-Y284 VanDerWaalsContact CB-CE2 3.47Å; I273-Y284 HydrophobicContact CG1-CD2 3.91Å; I273-Y284 HydrophobicContact CG1-CE2 3.4Å; I273-Y284 VanDerWaalsContact CG1-CE2 3.4Å; I273-Y284 HydrophobicContact CG2-CE2 4.01Å; I273-Y284 WeakPolarHBondContact CG2-OH 3.35Å; I273-Y284 PolarHBondContact N-O 3.23Å; I273-Y284 VanDerWaalsContact N-O 3.1Å; L282-Y284 HydrophobicContact CB-CD1 3.8Å; L282-Y284 HydrophobicContact CB-CE1 3.37Å; L282-Y284 HydrophobicContact CD1-CE1 3.93Å; L282-Y284 HydrophobicContact CG-CE1 4.29Å; L282-Y284 VanDerWaalsContact O-CD1 3.26Å; L282-Y284 WeakPolarHBondContact O-CD1 3.5Å; L282-Y284 PolarHBondContact O-N 2.94Å; Y284-F286 HydrophobicContact CD2-CE2 4.12Å; Y284-F286 HydrophobicContact CE2-CE2 4.02Å
285A88.5Confident86.5Confident0 Ų063.5 Ų63.50%034%0.343CS..EExtended strand (participates in β ladder)trans-141.9157.8-17500000111.4V245 L248 L257 E271 I272V245-A285 PolarHBondContact N-O 2.95Å; V245-A285 PolarHBondContact O-N 2.9Å; L248-A285 HydrophobicContact CD1-CB 3.63Å; L257-A285 HydrophobicContact CD1-CB 3.58Å; E271-A285 CarbonylContact O-C 3.59Å; E271-A285 VanDerWaalsContact O-CA 3.23Å; E271-A285 WeakPolarHBondContact O-CA 3.45Å; E271-A285 WeakPolarHBondContact O-CB 3.36Å; I272-A285 HydrophobicContact CB-CB 4.5Å; I272-A285 HydrophobicContact CG1-CB 3.83Å
286F90.7Very high86.7Confident61 Ų6164.1 Ų64.127%0.26834%0.344SS..EExtended strand (participates in β ladder)trans-116.6130.4170.4-65.2-81.9000109.6V242 L243 F244 C270 E271 I273 Y284V242-F286 HydrophobicContact CG1-CB 4.32Å; V242-F286 HydrophobicContact CG1-CD1 4.16Å; L243-F286 WeakPolarHBondContact O-CA 3.07Å; F244-F286 HydrophobicContact CB-CD1 4.38Å; F244-F286 HydrophobicContact CB-CE1 4.17Å; F244-F286 HydrophobicContact CD2-CD1 4.14Å; F244-F286 AromaticContact CD2-CE1 3.53Å; F244-F286 HydrophobicContact CD2-CE1 3.53Å; F244-F286 HydrophobicContact CD2-CE2 4.48Å; F244-F286 AromaticContact CD2-CZ 3.73Å; F244-F286 HydrophobicContact CD2-CZ 3.73Å; F244-F286 HydrophobicContact CE2-CE1 4.38Å; F244-F286 HydrophobicContact CE2-CZ 4.14Å; F244-F286 HydrophobicContact CG-CE1 4.28Å; C270-F286 WeakPolarHBondContact CA-O 3.39Å; E271-F286 PolarHBondContact N-O 3.15Å; E271-F286 PolarHBondContact O-N 2.91Å; I273-F286 HydrophobicContact CD1-CD2 4.17Å; I273-F286 HydrophobicContact CD1-CE2 4.44Å; I273-F286 HydrophobicContact CG1-CD2 4.01Å; I273-F286 HydrophobicContact CG1-CE2 3.97Å; Y284-F286 HydrophobicContact CD2-CE2 4.12Å; Y284-F286 HydrophobicContact CE2-CE2 4.02Å
287I88.9Confident87Confident0 Ų056.3 Ų56.30%032%0.318CS..EExtended strand (participates in β ladder)trans-123.9122.3-179.1-53.7179000108.2V242 L243 V245 L257 F261 I267 F289V242-I287 CarbonylContact C-O 3.55Å; V242-I287 WeakPolarHBondContact CA-O 3.05Å; L243-I287 PolarHBondContact N-O 3.44Å; L243-I287 PolarHBondContact O-N 3.02Å; V245-I287 HydrophobicContact CG2-CD1 3.84Å; V245-I287 HydrophobicContact CG2-CG1 4.37Å; L257-I287 HydrophobicContact CB-CD1 4.33Å; F261-I287 HydrophobicContact CB-CD1 4.11Å; F261-I287 HydrophobicContact CB-CG2 4.44Å; F261-I287 HydrophobicContact CD1-CD1 3.93Å; F261-I287 HydrophobicContact CD2-CD1 3.37Å; F261-I287 HydrophobicContact CE1-CD1 4.18Å; F261-I287 HydrophobicContact CE2-CD1 3.66Å; F261-I287 HydrophobicContact CG-CD1 3.52Å; F261-I287 HydrophobicContact CZ-CD1 4.06Å; I267-I287 HydrophobicContact CD1-CG2 4.16Å; I267-I287 HydrophobicContact CG1-CG2 4.22Å; I267-I287 HydrophobicContact CG2-CG2 3.97Å; I287-F289 HydrophobicContact CG2-CD2 4.29Å; I287-F289 HydrophobicContact CG2-CE2 3.8Å; I287-F289 HydrophobicContact CG2-CZ 4.29Å
288E88.1Confident87.3Confident49 Ų4950 Ų5023%0.22928%0.28CS..EExtended strand (participates in β ladder)trans-106.1123.8179.2-176-178-15600110.3N241 V242 I267 L268 S269 R322N241-E288 WeakPolarHBondContact O-CA 3.27Å; V242-E288 HydrophobicContact CG2-CB 4.29Å; V242-E288 HydrophobicContact CG2-CG 4.15Å; I267-E288 CarbonylContact C-O 3.47Å; I267-E288 WeakPolarHBondContact CA-O 3.49Å; L268-E288 HydrophobicContact CB-CB 4.44Å; L268-E288 HydrophobicContact CB-CG 4.15Å; L268-E288 HydrophobicContact CD1-CG 4.24Å; L268-E288 PolarHBondContact N-O 2.87Å; S269-E288 PolarHBondContact O-N 3.26Å; S269-E288 WeakPolarHBondContact OG-CB 3.44Å; S269-E288 PolarHBondContact OG-OE2 2.83Å; E288-R322 IonicContact OE2-CZ 2.61Å; E288-R322 IonicContact OE2-NH1 3.32Å; E288-R322 PolarHBondContact OE2-NH1 3.3Å
289F89.8Confident87.5Confident0 Ų047.4 Ų47.40%026%0.261CS..EExtended strand (participates in β ladder)trans-95.4148.6175.2-76-88.7000111.5N241 L243 F261 F264 I267 I287 N291 C295 A298N241-F289 WeakPolarHBondContact CB-O 3.23Å; N241-F289 PolarHBondContact O-N 3.2Å; L243-F289 HydrophobicContact CD1-CD2 4.34Å; L243-F289 HydrophobicContact CD1-CE2 3.71Å; L243-F289 HydrophobicContact CG-CD2 4.49Å; L243-F289 HydrophobicContact CG-CE2 4.28Å; F261-F289 HydrophobicContact CB-CZ 3.97Å; F261-F289 HydrophobicContact CD1-CE2 4.35Å; F261-F289 HydrophobicContact CD1-CZ 4.1Å; F264-F289 HydrophobicContact CB-CE1 4.39Å; I267-F289 HydrophobicContact CG1-CD1 4.29Å; I267-F289 HydrophobicContact CG1-CE1 3.94Å; I267-F289 HydrophobicContact CG1-CZ 4.32Å; I287-F289 HydrophobicContact CG2-CD2 4.29Å; I287-F289 HydrophobicContact CG2-CE2 3.8Å; I287-F289 HydrophobicContact CG2-CZ 4.29Å; F289-N291 VanDerWaalsContact C-N 3.29Å; F289-C295 HydrophobicContact CB-CB 4.17Å; F289-C295 HydrophobicContact CD2-CB 4.1Å; F289-C295 HydrophobicContact CG-CB 4.33Å; F289-A298 HydrophobicContact CE2-CB 4.04Å; F289-A298 HydrophobicContact CZ-CB 3.76Å
290A86.3Confident87.8Confident32 Ų3252.6 Ų52.626%0.26427%0.27SS..SBendtrans-66.7-34.7171.900000112.1E266 L268E266-A290 HydrophobicContact CB-CB 4.23Å; E266-A290 PolarHBondContact O-N 3.07Å; L268-A290 HydrophobicContact CD1-CB 4.33Å; L268-A290 HydrophobicContact CD2-CB 4.2Å; L268-A290 HydrophobicContact CG-CB 4.05Å
291N87.2Confident88Confident98 Ų9855.9 Ų55.952%0.52427%0.274SS..SBendtrans-117.8133.9-175.5-65.5-33.2000111.4F289 A293 S294 C295F289-N291 VanDerWaalsContact C-N 3.29Å; N291-A293 VanDerWaalsContact C-N 3.33Å; N291-A293 PolarHBondContact O-N 2.95Å; N291-S294 PolarHBondContact O-N 2.81Å; N291-C295 PolarHBondContact O-N 2.61Å
292R83.8Confident88.1Confident130 Ų13055.4 Ų55.449%0.49127%0.27SS..Hα-helixtrans-56.7-42.9173.6-176.3-176.8171.4131.812113.1D240 N241 S294 C295 E296D240-R292 IonicContact OD2-CZ 2.7Å; D240-R292 IonicContact OD2-NH1 3.46Å; D240-R292 PolarHBondContact OD2-NH1 3.11Å; D240-R292 IonicContact OD2-NH2 2.63Å; N241-R292 VanDerWaalsContact OD1-CA 3.25Å; N241-R292 WeakPolarHBondContact OD1-CA 3.38Å; N241-R292 VanDerWaalsContact OD1-CB 3.29Å; N241-R292 WeakPolarHBondContact OD1-CB 3.2Å; N241-R292 PolarHBondContact OD1-N 3.42Å; R292-S294 VanDerWaalsContact C-N 3.29Å; R292-S294 PolarHBondContact O-N 3.4Å; R292-C295 VanDerWaalsContact O-CB 3.24Å; R292-C295 WeakPolarHBondContact O-CB 3.24Å; R292-C295 PolarHBondContact O-N 2.9Å; R292-C295 VanDerWaalsContact O-N 3.1Å; R292-E296 IonicContact CZ-OE1 3.61Å; R292-E296 IonicContact NE-OE1 3.9Å; R292-E296 PolarHBondContact NE-OE1 3.27Å; R292-E296 IonicContact NH2-OE1 3.54Å; R292-E296 PolarHBondContact NH2-OE1 2.97Å; R292-E296 PolarHBondContact O-N 3.12Å
293A86.8Confident88.2Confident69 Ų6954.8 Ų54.857%0.5727%0.267SS*.Hα-helixtrans-61.1-38.2-178.900000112.4N291 E297N291-A293 VanDerWaalsContact C-N 3.33Å; N291-A293 PolarHBondContact O-N 2.95Å; A293-E297 WeakPolarHBondContact O-CB 3.47Å; A293-E297 PolarHBondContact O-N 2.83Å
294S87.8Confident88.3Confident17 Ų1755.6 Ų55.612%0.11927%0.273CS..Hα-helixtrans-67.9-36175.4-65.10000112.3F264 N291 R292 A298F264-S294 VanDerWaalsContact O-CB 3.23Å; F264-S294 WeakPolarHBondContact O-CB 3.33Å; F264-S294 PolarHBondContact O-OG 3.45Å; N291-S294 PolarHBondContact O-N 2.81Å; R292-S294 VanDerWaalsContact C-N 3.29Å; R292-S294 PolarHBondContact O-N 3.4Å; S294-A298 VanDerWaalsContact O-CB 3.27Å; S294-A298 WeakPolarHBondContact O-CB 3.4Å; S294-A298 PolarHBondContact O-N 2.84Å
295C86.6Confident88.3Confident0 Ų054.4 Ų54.40%027%0.274CS..Hα-helixtrans-62-49.3174.9-172.70000111.2D240 L243 F289 N291 R292 A298 F299D240-C295 PolarHBondContact O-SG 3.32Å; D240-C295 VanDerWaalsContact O-SG 3.39Å; L243-C295 WeakPolarHBondContact CD2-SG 3.49Å; L243-C295 VanDerWaalsContact CG-SG 3.52Å; F289-C295 HydrophobicContact CB-CB 4.17Å; F289-C295 HydrophobicContact CD2-CB 4.1Å; F289-C295 HydrophobicContact CG-CB 4.33Å; N291-C295 PolarHBondContact O-N 2.61Å; R292-C295 VanDerWaalsContact O-CB 3.24Å; R292-C295 WeakPolarHBondContact O-CB 3.24Å; R292-C295 PolarHBondContact O-N 2.9Å; R292-C295 VanDerWaalsContact O-N 3.1Å; C295-A298 PolarHBondContact O-N 2.68Å; C295-F299 WeakPolarHBondContact O-CB 3.39Å; C295-F299 PolarHBondContact O-N 3.31Å
296E87.1Confident88.4Confident70 Ų7059.2 Ų59.233%0.32730%0.299SS..Hα-helixtrans-63-43.9178.2-69.4174.5-174.100111.7R292 A298 F299 F300 F316R292-E296 IonicContact CZ-OE1 3.61Å; R292-E296 IonicContact NE-OE1 3.9Å; R292-E296 PolarHBondContact NE-OE1 3.27Å; R292-E296 IonicContact NH2-OE1 3.54Å; R292-E296 PolarHBondContact NH2-OE1 2.97Å; R292-E296 PolarHBondContact O-N 3.12Å; E296-A298 PolarHBondContact O-N 3.18Å; E296-F299 WeakPolarHBondContact O-CB 3.28Å; E296-F299 PolarHBondContact O-N 3.18Å; E296-F300 WeakPolarHBondContact O-CD2 3.49Å; E296-F300 PolarHBondContact O-N 2.94Å; E296-F300 VanDerWaalsContact O-N 3.07Å; E296-F316 HydrophobicContact CG-CE1 4.31Å; E296-F316 HydrophobicContact CG-CZ 4.08Å
297E89.3Confident88.3Confident84 Ų8456.9 Ų56.939%0.39329%0.289SS..Hα-helixtrans-63.5-41.3177.7-171.9175.9-178.700112.3F264 A293 K301F264-E297 HydrophobicContact CD1-CG 4.17Å; A293-E297 WeakPolarHBondContact O-CB 3.47Å; A293-E297 PolarHBondContact O-N 2.83Å; E297-K301 HydrophobicContact CG-CD 3.98Å; E297-K301 WeakPolarHBondContact O-CB 3.35Å; E297-K301 WeakPolarHBondContact O-CG 3.4Å; E297-K301 PolarHBondContact O-N 2.81Å; E297-K301 VanDerWaalsContact O-N 3.11Å; E297-K301 WeakPolarHBondContact OE1-CE 3.37Å; E297-K301 IonicContact OE1-NZ 2.72Å; E297-K301 PolarHBondContact OE1-NZ 2.98Å
298A89.4Confident88.2Confident0 Ų060.4 Ų60.40%031%0.308CS..Hα-helixtrans-64-43.217500000111.5L243 F261 F264 F289 S294 C295 E296 K301 M302L243-A298 HydrophobicContact CD1-CB 3.8Å; F261-A298 HydrophobicContact CD1-CB 4.08Å; F261-A298 HydrophobicContact CE1-CB 4.44Å; F264-A298 HydrophobicContact CB-CB 3.93Å; F264-A298 HydrophobicContact CD2-CB 3.64Å; F264-A298 HydrophobicContact CE2-CB 4.37Å; F264-A298 HydrophobicContact CG-CB 3.82Å; F289-A298 HydrophobicContact CE2-CB 4.04Å; F289-A298 HydrophobicContact CZ-CB 3.76Å; S294-A298 VanDerWaalsContact O-CB 3.27Å; S294-A298 WeakPolarHBondContact O-CB 3.4Å; S294-A298 PolarHBondContact O-N 2.84Å; C295-A298 PolarHBondContact O-N 2.68Å; E296-A298 PolarHBondContact O-N 3.18Å; A298-K301 PolarHBondContact O-N 3.35Å; A298-M302 WeakPolarHBondContact O-CB 3.29Å; A298-M302 WeakPolarHBondContact O-CG 3.37Å; A298-M302 PolarHBondContact O-N 3.17Å
299F88.8Confident88.2Confident43 Ų4365.1 Ų65.119%0.18934%0.335CS..Hα-helixtrans-55.8-53175.6168.8-100.5000111.8L243 C295 E296 K301 D303 V314 F316L243-F299 HydrophobicContact CD2-CB 4.01Å; C295-F299 WeakPolarHBondContact O-CB 3.39Å; C295-F299 PolarHBondContact O-N 3.31Å; E296-F299 WeakPolarHBondContact O-CB 3.28Å; E296-F299 PolarHBondContact O-N 3.18Å; F299-K301 VanDerWaalsContact C-N 3.34Å; F299-K301 PolarHBondContact O-N 3.31Å; F299-D303 PolarHBondContact O-N 3.35Å; F299-V314 HydrophobicContact CD2-CB 4.49Å; F299-V314 HydrophobicContact CD2-CG1 4.17Å; F299-V314 WeakPolarHBondContact CE2-O 3.41Å; F299-F316 HydrophobicContact CB-CE2 4.43Å; F299-F316 HydrophobicContact CB-CZ 4.07Å; F299-F316 AromaticContact CD1-CE2 3.78Å; F299-F316 HydrophobicContact CD1-CE2 3.78Å; F299-F316 HydrophobicContact CD1-CZ 4.05Å; F299-F316 HydrophobicContact CD2-CD2 4.32Å; F299-F316 HydrophobicContact CD2-CE2 4.07Å; F299-F316 AromaticContact CE1-CE2 3.99Å; F299-F316 HydrophobicContact CE1-CE2 3.99Å; F299-F316 HydrophobicContact CE2-CD2 4.36Å; F299-F316 HydrophobicContact CE2-CE2 4.27Å; F299-F316 AromaticContact CG-CE2 3.82Å; F299-F316 HydrophobicContact CG-CE2 3.82Å; F299-F316 AromaticContact CG-CZ 3.96Å; F299-F316 HydrophobicContact CG-CZ 3.96Å; F299-F316 HydrophobicContact CZ-CE2 4.23Å
300F88.2Confident88.1Confident157 Ų15769.7 Ų69.769%0.68935%0.352SS*.Hα-helixtrans-67.2-32-177.3-75.4-65.5000113.8E296E296-F300 WeakPolarHBondContact O-CD2 3.49Å; E296-F300 PolarHBondContact O-N 2.94Å; E296-F300 VanDerWaalsContact O-N 3.07Å
301K89.5Confident88.3Confident120 Ų12075.1 Ų75.152%0.52237%0.366SS..Hα-helixtrans-91.2-26.7-176.1-71.5-179.2177.5177.20113.9F264 E297 A298 F299 V305F264-K301 HydrophobicContact CD1-CD 4.17Å; F264-K301 HydrophobicContact CE1-CB 3.81Å; F264-K301 HydrophobicContact CE1-CD 3.51Å; F264-K301 HydrophobicContact CE1-CG 4.3Å; F264-K301 HydrophobicContact CZ-CB 3.96Å; F264-K301 HydrophobicContact CZ-CD 4.43Å; E297-K301 HydrophobicContact CG-CD 3.98Å; E297-K301 WeakPolarHBondContact O-CB 3.35Å; E297-K301 WeakPolarHBondContact O-CG 3.4Å; E297-K301 PolarHBondContact O-N 2.81Å; E297-K301 VanDerWaalsContact O-N 3.11Å; E297-K301 WeakPolarHBondContact OE1-CE 3.37Å; E297-K301 IonicContact OE1-NZ 2.72Å; E297-K301 PolarHBondContact OE1-NZ 2.98Å; A298-K301 PolarHBondContact O-N 3.35Å; F299-K301 VanDerWaalsContact C-N 3.34Å; F299-K301 PolarHBondContact O-N 3.31Å; K301-V305 VanDerWaalsContact O-CG2 3.29Å; K301-V305 WeakPolarHBondContact O-CG2 3.36Å
302M88.7Confident88.5Confident13 Ų1370.5 Ų70.56%0.06434%0.341CS..Hα-helixtrans-98.6-12.7-174.5-65.4-60.1-57.100114.2I260 F261 F264 A298 N304 V305 I307 I312 V314I260-M302 HydrophobicContact CG2-CE 3.16Å; I260-M302 HydrophobicContact CG2-SD 4.07Å; F261-M302 HydrophobicContact CD1-CG 4.22Å; F261-M302 HydrophobicContact CE1-CB 3.78Å; F261-M302 HydrophobicContact CE1-CG 3.78Å; F261-M302 HydrophobicContact CE2-CE 4.26Å; F261-M302 HydrophobicContact CZ-CB 3.88Å; F261-M302 HydrophobicContact CZ-CE 4.27Å; F261-M302 HydrophobicContact CZ-CG 4.08Å; F264-M302 HydrophobicContact CD2-CG 4.28Å; F264-M302 HydrophobicContact CE2-CG 3.34Å; F264-M302 HydrophobicContact CE2-SD 3.54Å; F264-M302 VanDerWaalsContact CE2-SD 3.54Å; F264-M302 HydrophobicContact CZ-CG 3.71Å; F264-M302 HydrophobicContact CZ-SD 3.66Å; A298-M302 WeakPolarHBondContact O-CB 3.29Å; A298-M302 WeakPolarHBondContact O-CG 3.37Å; A298-M302 PolarHBondContact O-N 3.17Å; M302-N304 PolarHBondContact O-N 3.02Å; M302-V305 HydrophobicContact CE-CB 4.12Å; M302-V305 HydrophobicContact CE-CG1 3.95Å; M302-V305 HydrophobicContact CE-CG2 4.43Å; M302-V305 WeakPolarHBondContact O-CB 3.37Å; M302-V305 WeakPolarHBondContact O-CG2 3.43Å; M302-V305 PolarHBondContact O-N 3.43Å; M302-V305 HydrophobicContact SD-CG2 4.37Å; M302-I307 HydrophobicContact CE-CD1 4.09Å; M302-I312 HydrophobicContact CE-CD1 4.23Å; M302-V314 HydrophobicContact CB-CG2 4.04Å
303D89.1Confident88.8Confident66 Ų6667.6 Ų67.635%0.35333%0.333SS..THydrogen-bonded Turntrans-61.6134.2174.9-171.544.7000111.3F299 V305 H313 V314F299-D303 PolarHBondContact O-N 3.35Å; D303-V305 PolarHBondContact O-N 2.96Å; D303-V305 VanDerWaalsContact O-N 3.15Å; D303-H313 IonicContact OD1-CE1 2.72Å; D303-H313 IonicContact OD1-CG 3.38Å; D303-H313 IonicContact OD1-ND1 3.28Å; D303-H313 PolarHBondContact OD1-ND1 3.36Å; D303-V314 PolarHBondContact OD1-N 2.83Å
304N89.5Confident89Confident85 Ų8564.3 Ų64.346%0.45531%0.306SS..THydrogen-bonded Turntrans60.719.4-179.5-15810.1000115.1M302 R311 I312M302-N304 PolarHBondContact O-N 3.02Å; N304-R311 PolarHBondContact O-NH1 3.21Å; N304-R311 VanDerWaalsContact O-NH1 3.17Å; N304-R311 WeakPolarHBondContact OD1-CD 3.4Å; N304-R311 PolarHBondContact OD1-NH1 3.25Å; N304-I312 WeakPolarHBondContact CA-O 3.48Å; N304-I312 PolarHBondContact N-O 2.75Å
305V91Very high89Confident49 Ų4966.2 Ų66.230%0.29732%0.315SS..  trans-75.1147.2172.9172.70000110.8K301 M302 D303 I307 R311 I312K301-V305 VanDerWaalsContact O-CG2 3.29Å; K301-V305 WeakPolarHBondContact O-CG2 3.36Å; M302-V305 HydrophobicContact CE-CB 4.12Å; M302-V305 HydrophobicContact CE-CG1 3.95Å; M302-V305 HydrophobicContact CE-CG2 4.43Å; M302-V305 WeakPolarHBondContact O-CB 3.37Å; M302-V305 WeakPolarHBondContact O-CG2 3.43Å; M302-V305 PolarHBondContact O-N 3.43Å; M302-V305 HydrophobicContact SD-CG2 4.37Å; D303-V305 PolarHBondContact O-N 2.96Å; D303-V305 VanDerWaalsContact O-N 3.15Å; V305-I307 HydrophobicContact CG1-CG1 4.38Å; V305-R311 WeakPolarHBondContact O-CA 3.33Å; V305-I312 HydrophobicContact CB-CG1 4.49Å; V305-I312 WeakPolarHBondContact O-CG1 3.25Å; V305-I312 PolarHBondContact O-N 3.12Å
306L89.8Confident88.8Confident101 Ų10169.4 Ų69.453%0.52933%0.328SS..EExtended strand (participates in β ladder)trans-89.8117.8179.1-166.5145.8000110.3R310L306-R310 CarbonylContact C-O 3.52Å; L306-R310 WeakPolarHBondContact CA-O 3.44Å
307I88.2Confident88Confident11 Ų1166.3 Ų66.36%0.05632%0.316CS..EExtended strand (participates in β ladder)trans-126.5124175.8-57.7178.7000107.1T252 I260 M302 V305 D309 R310 I312T252-I307 HydrophobicContact CG2-CG2 4.2Å; I260-I307 HydrophobicContact CD1-CD1 3.78Å; I260-I307 HydrophobicContact CD1-CG1 4.13Å; I260-I307 HydrophobicContact CD1-CG2 3.88Å; I260-I307 HydrophobicContact CG2-CD1 4.24Å; M302-I307 HydrophobicContact CE-CD1 4.09Å; V305-I307 HydrophobicContact CG1-CG1 4.38Å; I307-D309 VanDerWaalsContact C-N 3.32Å; I307-D309 PolarHBondContact O-N 3.03Å; I307-R310 PolarHBondContact N-O 3.48Å; I307-R310 PolarHBondContact O-N 2.86Å; I307-I312 HydrophobicContact CB-CG2 4.22Å; I307-I312 HydrophobicContact CD1-CD1 3.55Å; I307-I312 HydrophobicContact CD1-CG1 4.02Å; I307-I312 HydrophobicContact CD1-CG2 4.02Å; I307-I312 HydrophobicContact CG1-CD1 4.45Å; I307-I312 HydrophobicContact CG1-CG1 4.45Å; I307-I312 HydrophobicContact CG1-CG2 4.31Å
308D87.8Confident86.7Confident74 Ų7469.7 Ų69.740%0.39633%0.331SS..THydrogen-bonded Turntrans47.250.3-179.8-54.8-34.3000113.3N249 T252 R310N249-D308 HydrophobicContact CB-CB 3.86Å; N249-D308 PolarHBondContact ND2-O 3.38Å; T252-D308 WeakPolarHBondContact CB-OD2 3.36Å; T252-D308 PolarHBondContact OG1-OD2 2.86Å; D308-R310 PolarHBondContact O-N 3.08Å; D308-R310 VanDerWaalsContact O-N 3.12Å
309D86.8Confident85Confident149 Ų14972.6 Ų72.680%0.79735%0.352SS*.THydrogen-bonded Turntrans62.313.6-178.1-60.2-38.2000116I307I307-D309 VanDerWaalsContact C-N 3.32Å; I307-D309 PolarHBondContact O-N 3.03Å
310R88.1Confident83.3Confident95 Ų9572.7 Ų72.736%0.35836%0.356SS..EExtended strand (participates in β ladder)trans-119.9138170.5-73.9-165.8176.3-174.7-8.5112L248 N249 L306 I307 D308 I312L248-R310 PolarHBondContact O-NH1 3.32Å; N249-R310 HydrophobicContact CB-CG 4.32Å; L306-R310 CarbonylContact C-O 3.52Å; L306-R310 WeakPolarHBondContact CA-O 3.44Å; I307-R310 PolarHBondContact N-O 3.48Å; I307-R310 PolarHBondContact O-N 2.86Å; D308-R310 PolarHBondContact O-N 3.08Å; D308-R310 VanDerWaalsContact O-N 3.12Å; R310-I312 PolarHBondContact O-N 2.92Å
311R90.8Very high81.3Confident146 Ų14668.7 Ų68.755%0.55135%0.346SS*.EExtended strand (participates in β ladder)trans-80.6112.8169.5-75.6170.6172.3-89.5-0.6108.8N304 V305N304-R311 PolarHBondContact O-NH1 3.21Å; N304-R311 VanDerWaalsContact O-NH1 3.17Å; N304-R311 WeakPolarHBondContact OD1-CD 3.4Å; N304-R311 PolarHBondContact OD1-NH1 3.25Å; V305-R311 WeakPolarHBondContact O-CA 3.33Å
312I92Very high79.3Confident2 Ų269.7 Ų69.71%0.0135%0.347CS..  trans-76.6158176.661155.7000110.4V245 L248 F261 M302 N304 V305 I307 R310 V314V245-I312 HydrophobicContact CG1-CB 4.17Å; V245-I312 HydrophobicContact CG1-CD1 3.88Å; L248-I312 HydrophobicContact CD2-CG2 3.72Å; F261-I312 HydrophobicContact CE2-CD1 4.36Å; F261-I312 HydrophobicContact CZ-CD1 4.07Å; M302-I312 HydrophobicContact CE-CD1 4.23Å; N304-I312 WeakPolarHBondContact CA-O 3.48Å; N304-I312 PolarHBondContact N-O 2.75Å; V305-I312 HydrophobicContact CB-CG1 4.49Å; V305-I312 WeakPolarHBondContact O-CG1 3.25Å; V305-I312 PolarHBondContact O-N 3.12Å; I307-I312 HydrophobicContact CB-CG2 4.22Å; I307-I312 HydrophobicContact CD1-CD1 3.55Å; I307-I312 HydrophobicContact CD1-CG1 4.02Å; I307-I312 HydrophobicContact CD1-CG2 4.02Å; I307-I312 HydrophobicContact CG1-CD1 4.45Å; I307-I312 HydrophobicContact CG1-CG1 4.45Å; I307-I312 HydrophobicContact CG1-CG2 4.31Å; R310-I312 PolarHBondContact O-N 2.92Å; I312-V314 HydrophobicContact CD1-CG2 3.78Å
313H90.1Very high77.4Confident69 Ų6973.6 Ų73.632%0.31937%0.368SS..EExtended strand (participates in β ladder)trans-124131.3169.617855.5000108.7V245 C246 D303V245-H313 WeakPolarHBondContact CA-O 3.5Å; C246-H313 PolarHBondContact N-O 3.39Å; C246-H313 PolarHBondContact O-N 3.26Å; D303-H313 IonicContact OD1-CE1 2.72Å; D303-H313 IonicContact OD1-CG 3.38Å; D303-H313 IonicContact OD1-ND1 3.28Å; D303-H313 PolarHBondContact OD1-ND1 3.36Å
314V89.8Confident75.2Confident0 Ų075.3 Ų75.30%037%0.372CS..EExtended strand (participates in β ladder)trans-114.6132.6-175.8-173.40000108.2L243 F244 V245 F261 F299 M302 D303 I312L243-V314 HydrophobicContact CB-CG1 4.24Å; L243-V314 HydrophobicContact CD1-CG1 3.95Å; L243-V314 HydrophobicContact CD2-CG1 4.23Å; L243-V314 HydrophobicContact CG-CG1 4.38Å; F244-V314 CarbonylContact O-C 3.57Å; F244-V314 WeakPolarHBondContact O-CA 3.29Å; V245-V314 HydrophobicContact CG1-CG2 4.35Å; V245-V314 HydrophobicContact CG2-CG1 4.35Å; V245-V314 HydrophobicContact CG2-CG2 4.29Å; F261-V314 HydrophobicContact CE1-CG2 4.47Å; F261-V314 HydrophobicContact CZ-CG2 4.11Å; F299-V314 HydrophobicContact CD2-CB 4.49Å; F299-V314 HydrophobicContact CD2-CG1 4.17Å; F299-V314 WeakPolarHBondContact CE2-O 3.41Å; M302-V314 HydrophobicContact CB-CG2 4.04Å; D303-V314 PolarHBondContact OD1-N 2.83Å; I312-V314 HydrophobicContact CD1-CG2 3.78Å
315D87.8Confident72.9Confident57 Ų5777 Ų7731%0.30538%0.382SS..EExtended strand (participates in β ladder)trans-136.1163.8176.5-157.5-7.5000109.8L243 F244L243-D315 CarbonylContact C-O 3.42Å; L243-D315 WeakPolarHBondContact CA-O 3.45Å; F244-D315 HydrophobicContact CD1-CB 4.29Å; F244-D315 PolarHBondContact N-O 3.21Å; F244-D315 PolarHBondContact O-N 3.18Å
316F83.5Confident70.4Confident66 Ų6681 Ų8129%0.28939%0.392SS..EExtended strand (participates in β ladder)trans-72.1137.7170.7-70.9-78.1000109.9L243 E296 F299 Q318L243-F316 HydrophobicContact CD2-CD1 3.93Å; L243-F316 HydrophobicContact CD2-CE1 4.05Å; E296-F316 HydrophobicContact CG-CE1 4.31Å; E296-F316 HydrophobicContact CG-CZ 4.08Å; F299-F316 HydrophobicContact CB-CE2 4.43Å; F299-F316 HydrophobicContact CB-CZ 4.07Å; F299-F316 AromaticContact CD1-CE2 3.78Å; F299-F316 HydrophobicContact CD1-CE2 3.78Å; F299-F316 HydrophobicContact CD1-CZ 4.05Å; F299-F316 HydrophobicContact CD2-CD2 4.32Å; F299-F316 HydrophobicContact CD2-CE2 4.07Å; F299-F316 AromaticContact CE1-CE2 3.99Å; F299-F316 HydrophobicContact CE1-CE2 3.99Å; F299-F316 HydrophobicContact CE2-CD2 4.36Å; F299-F316 HydrophobicContact CE2-CE2 4.27Å; F299-F316 AromaticContact CG-CE2 3.82Å; F299-F316 HydrophobicContact CG-CE2 3.82Å; F299-F316 AromaticContact CG-CZ 3.96Å; F299-F316 HydrophobicContact CG-CZ 3.96Å; F299-F316 HydrophobicContact CZ-CE2 4.23Å; F316-Q318 PolarHBondContact O-N 2.67Å
317G69.9Low68.1Low6 Ų685.6 Ų85.66%0.06240%0.402CS..  trans-64.2107.617900000110.2P238 V242 S319P238-G317 VanDerWaalsContact CB-O 3.32Å; P238-G317 WeakPolarHBondContact CB-O 3.32Å; V242-G317 WeakPolarHBondContact O-CA 3.18Å; V242-G317 PolarHBondContact O-N 3.43Å; G317-S319 PolarHBondContact O-N 3.25Å
318Q61.4Low65.8Low154 Ų15493.4 Ų93.472%0.7244%0.435SS*.  trans-81.6-1.1178.8-60.8179.511.400113.2F316F316-Q318 PolarHBondContact O-N 2.67Å
319S54.8Low63.4Low61 Ų6198.8 Ų98.843%0.42746%0.458SS..  trans-95.6118.3-169.8-156.50000112.4G317 C321G317-S319 PolarHBondContact O-N 3.25Å; S319-C321 PolarHBondContact O-N 3.18Å; S319-C321 WeakPolarHBondContact OG-CB 3.44Å; S319-C321 PolarHBondContact OG-SG 3.25Å
320V52.1Low60.9Low46 Ų46105.1 Ų105.128%0.27947%0.471SS..  trans-75.55.5168.7-67.30000113.2L231 P238 R322 N323L231-V320 HydrophobicContact CD2-CG2 4.08Å; P238-V320 HydrophobicContact CB-CG1 4.28Å; V320-R322 PolarHBondContact O-N 3.41Å; V320-N323 PolarHBondContact O-N 3.48Å; V320-N323 VanDerWaalsContact O-N 3.1Å
321C47.2Very low59.5Low72 Ų72105.6 Ų105.649%0.48648%0.476SS..THydrogen-bonded Turntrans-57-10.1-174.8-88.10000115.6S319 K324S319-C321 PolarHBondContact O-N 3.18Å; S319-C321 WeakPolarHBondContact OG-CB 3.44Å; S319-C321 PolarHBondContact OG-SG 3.25Å; C321-K324 WeakPolarHBondContact O-CD 3.46Å; C321-K324 WeakPolarHBondContact O-CE 3.25Å; C321-K324 WeakPolarHBondContact O-CG 3.4Å
322R47.6Very low57.9Low142 Ų142103.5 Ų103.554%0.53647%0.472SS..THydrogen-bonded Turntrans-104.3-8.6-179.7-124.8-178.2177.3-15910115.3S269 E288 V320 K324S269-R322 PolarHBondContact OG-NH1 2.87Å; S269-R322 PolarHBondContact OG-NH2 2.89Å; E288-R322 IonicContact OE2-CZ 2.61Å; E288-R322 IonicContact OE2-NH1 3.32Å; E288-R322 PolarHBondContact OE2-NH1 3.3Å; V320-R322 PolarHBondContact O-N 3.41Å; R322-K324 PolarHBondContact O-N 2.99Å
323N48.7Very low56Low94 Ų94109.1 Ų109.150%0.50350%0.498SS..  trans-6713.8163.7-85.4-1.5000112.7E236 V320 D325E236-N323 PolarHBondContact OE1-ND2 2.86Å; V320-N323 PolarHBondContact O-N 3.48Å; V320-N323 VanDerWaalsContact O-N 3.1Å; N323-D325 PolarHBondContact O-N 3.36Å
324K43Very low54Low102 Ų102111.5 Ų111.544%0.44351%0.508SS..  trans-70.552.9172.8-65.5-175.8-177.5167.50113.2C321 R322 W326 R327C321-K324 WeakPolarHBondContact O-CD 3.46Å; C321-K324 WeakPolarHBondContact O-CE 3.25Å; C321-K324 WeakPolarHBondContact O-CG 3.4Å; R322-K324 PolarHBondContact O-N 2.99Å; K324-W326 VanDerWaalsContact CB-CD1 3.46Å; K324-W326 HydrophobicContact CB-CG 4.41Å; K324-W326 VanDerWaalsContact CG-CD1 3.49Å; K324-W326 PolarHBondContact O-N 2.95Å; K324-W326 VanDerWaalsContact O-N 3.08Å; K324-R327 PolarHBondContact O-N 2.64Å
325D41.2Very low51.7Low122 Ų122118.4 Ų118.465%0.65254%0.54SS*.G310 helixtrans-61.1-7.8159.3-92.3-23.6000112N323 R327 K328N323-D325 PolarHBondContact O-N 3.36Å; D325-R327 PolarHBondContact O-N 3.42Å; D325-K328 PolarHBondContact O-N 3.36Å
326W38.5Very low49.3Very low133 Ų133122.5 Ų122.550%0.50456%0.556SS.*G310 helixtrans-62.3-20.3173.777.9-102.3000115.2K324 K328K324-W326 VanDerWaalsContact CB-CD1 3.46Å; K324-W326 HydrophobicContact CB-CG 4.41Å; K324-W326 VanDerWaalsContact CG-CD1 3.49Å; K324-W326 PolarHBondContact O-N 2.95Å; K324-W326 VanDerWaalsContact O-N 3.08Å; W326-K328 VanDerWaalsContact C-N 3.29Å; W326-K328 PolarHBondContact O-N 3.42Å
327R41.1Very low46.9Very low197 Ų197126.6 Ų126.674%0.74358%0.575SS**G310 helixtrans-77.3-10.6176.2-89.3-169.8175.8-177.40.1114.3K324 D325K324-R327 PolarHBondContact O-N 2.64Å; D325-R327 PolarHBondContact O-N 3.42Å
328K40.7Very low45.1Very low174 Ų174135.8 Ų135.876%0.75761%0.614SS**G310 helixtrans-95.9-1-178.4-75.2-176.8-179.1168.70114.9D325 W326D325-K328 PolarHBondContact O-N 3.36Å; W326-K328 VanDerWaalsContact C-N 3.29Å; W326-K328 PolarHBondContact O-N 3.42Å
329Q36.1Very low43.8Very low187 Ų187134.3 Ų134.387%0.87461%0.606SS**  trans-125.139.6178.5-65.3-170.311.500114
330R34.3Very low42.8Very low282 Ų282141 Ų141100%1.06462%0.622SS**  trans-107.60154.9-82.8-171.1169.2-169.1-2.5109

Retrieved 330 of 330 residues in 489.3 ms (Link to these results)

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