A0A087YGU3_POEFO Loading...

Proteasome subunit beta

Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB , UniProt , Accession A0A087YGU3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 206 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
1M58.6Low90Very high199 Ų19948.9 Ų48.998%0.9825%0.251SS*.  0122.30-150179.5-73.900106.6
2S84.3Confident90.6Very high64 Ų6444.8 Ų44.845%0.44823%0.23SC..  trans-68.1147.1-179.1-178.70000110.6M4 N5S2-M4 PolarHBondContact O-N 2.72Å; S2-M4 PolarHBondContact OG-N 3.32Å; S2-N5 PolarHBondContact O-N 3.46Å; S2-N5 VanDerWaalsContact O-N 3.1Å
3I91.5Very high91.2Very high76 Ų7641.4 Ų41.439%0.3921%0.212SC..G310 helixtrans-59.8-33.8174.1-66.1167.5000110.4N5 Y6 L56 Y105I3-N5 PolarHBondContact O-N 3.18Å; I3-Y6 VanDerWaalsContact O-CB 3.22Å; I3-Y6 WeakPolarHBondContact O-CB 3.27Å; I3-Y6 PolarHBondContact O-N 3.21Å; I3-Y6 VanDerWaalsContact O-N 3.13Å; I3-L56 HydrophobicContact CG2-CD1 4.23Å; I3-L56 HydrophobicContact CG2-CD2 4.24Å; I3-Y105 HydrophobicContact CB-CD1 3.98Å; I3-Y105 HydrophobicContact CB-CE1 4.13Å; I3-Y105 HydrophobicContact CB-CG 4.28Å; I3-Y105 HydrophobicContact CD1-CD1 4.41Å; I3-Y105 HydrophobicContact CD1-CE1 3.74Å; I3-Y105 HydrophobicContact CD1-CE2 4Å; I3-Y105 VanDerWaalsContact CD1-CZ 3.5Å; I3-Y105 HydrophobicContact CG2-CD1 3.88Å; I3-Y105 HydrophobicContact CG2-CD2 3.85Å; I3-Y105 HydrophobicContact CG2-CE1 4.28Å; I3-Y105 HydrophobicContact CG2-CE2 4.25Å; I3-Y105 HydrophobicContact CG2-CG 3.64Å
4M89.8Confident91.6Very high22 Ų2238.4 Ų38.411%0.10820%0.197CC..G310 helixtrans-59-30.5176.5-64.2-63.2-73.400112.9S2 Y6 Y105 E107S2-M4 PolarHBondContact O-N 2.72Å; S2-M4 PolarHBondContact OG-N 3.32Å; M4-Y6 VanDerWaalsContact C-N 3.32Å; M4-Y105 HydrophobicContact SD-CD1 4.39Å; M4-E107 HydrophobicContact CE-CB 4.33Å; M4-E107 HydrophobicContact CE-CG 3.81Å
5N92.6Very high92Very high69 Ų6939.6 Ų39.637%0.36920%0.198SC..G310 helixtrans-89.4-1-176.3-59.313.8000112.4S2 I3 N7 T142S2-N5 PolarHBondContact O-N 3.46Å; S2-N5 VanDerWaalsContact O-N 3.1Å; I3-N5 PolarHBondContact O-N 3.18Å; N5-N7 PolarHBondContact O-N 3.01Å; N5-T142 HydrophobicContact CB-CG2 4.11Å
6Y94.6Very high92.2Very high94 Ų9437.6 Ų37.637%0.36919%0.19SC..THydrogen-bonded Turntrans-64-41.6-173.6-175.2-99.5000112.5I3 M4 I30 Q31 L56I3-Y6 VanDerWaalsContact O-CB 3.22Å; I3-Y6 WeakPolarHBondContact O-CB 3.27Å; I3-Y6 PolarHBondContact O-N 3.21Å; I3-Y6 VanDerWaalsContact O-N 3.13Å; M4-Y6 VanDerWaalsContact C-N 3.32Å; Y6-I30 HydrophobicContact CE1-CG2 4.12Å; Y6-I30 WeakPolarHBondContact OH-CG2 3.14Å; Y6-Q31 HydrophobicContact CD2-CG 3.81Å; Y6-Q31 HydrophobicContact CE2-CG 3.73Å; Y6-Q31 WeakPolarHBondContact O-CA 3.43Å; Y6-Q31 PolarHBondContact O-N 3.16Å; Y6-L56 HydrophobicContact CD1-CD1 4.27Å
7N95.3Very high92.2Very high10 Ų1040.6 Ų40.65%0.05320%0.202CC..THydrogen-bonded Turntrans-101.5-19.3175.5-59.9117.1000113N5 R27 G29 A57N5-N7 PolarHBondContact O-N 3.01Å; N7-R27 PolarHBondContact O-NH1 2.86Å; N7-R27 VanDerWaalsContact O-NH1 3.15Å; N7-G29 WeakPolarHBondContact CA-O 3.39Å; N7-G29 PolarHBondContact ND2-O 3.22Å; N7-A57 HydrophobicContact CB-CB 4.28Å; N7-A57 WeakPolarHBondContact OD1-CB 3.29Å; N7-A57 PolarHBondContact OD1-N 3.11Å
8G94.1Very high92.3Very high3 Ų344.3 Ų44.33%0.03122%0.222CC..  trans71.7-161.8-172.300000112.5V181G8-V181 WeakPolarHBondContact CA-O 3.49Å
9G94.4Very high92.5Very high1 Ų142 Ų421%0.0121%0.211CC..  trans115.1154.5175.100000113.6D25 G141 T142 S182G9-D25 VanDerWaalsContact CA-OD1 3.24Å; G9-D25 WeakPolarHBondContact CA-OD1 3.4Å; G9-G141 CarbonylContact O-C 3.56Å; G9-G141 WeakPolarHBondContact O-CA 3.38Å; G9-T142 PolarHBondContact N-OG1 3.23Å; G9-T142 PolarHBondContact O-N 3.38Å; G9-T142 PolarHBondContact O-OG1 2.64Å; G9-S182 WeakPolarHBondContact CA-OG 2.98Å; G9-S182 PolarHBondContact N-OG 3.04Å
10A96.8Very high92.7Very high0 Ų039.9 Ų39.90%020%0.2CC..EExtended strand (participates in β ladder)trans-140.6133-173.100000109.5A24 D25 C143 M147 M172 V176A10-A24 VanDerWaalsContact O-CA 3.26Å; A10-A24 WeakPolarHBondContact O-CA 3.47Å; A10-D25 PolarHBondContact N-OD1 2.86Å; A10-D25 PolarHBondContact O-N 3.45Å; A10-C143 WeakPolarHBondContact CB-SG 3.29Å; A10-M147 HydrophobicContact CB-CE 4.11Å; A10-M147 HydrophobicContact CB-SD 4.11Å; A10-M172 HydrophobicContact CB-CE 4.15Å; A10-V176 HydrophobicContact CB-CG1 4.13Å
11V97.8Very high93Very high0 Ų038 Ų380%019%0.191CC..EExtended strand (participates in β ladder)trans-133.9136174.81760000108.2I22 A23 A24 K41 A54 V109 S140V11-I22 HydrophobicContact CG1-CD1 4.47Å; V11-I22 HydrophobicContact CG1-CG1 4.47Å; V11-A23 WeakPolarHBondContact CA-O 3.48Å; V11-A24 HydrophobicContact CG2-CB 3.97Å; V11-K41 HydrophobicContact CG2-CB 4.37Å; V11-A54 HydrophobicContact CB-CB 4.36Å; V11-A54 HydrophobicContact CG2-CB 3.94Å; V11-V109 HydrophobicContact CB-CG2 4.47Å; V11-V109 HydrophobicContact CG1-CB 3.73Å; V11-V109 HydrophobicContact CG1-CG1 4.25Å; V11-V109 HydrophobicContact CG1-CG2 3.94Å; V11-S140 PolarHBondContact N-O 2.93Å; V11-S140 PolarHBondContact O-N 2.85Å; V11-S140 VanDerWaalsContact O-O 3.07Å
12M97.5Very high94.9Very high0 Ų028.5 Ų28.50%014%0.144CC..EExtended strand (participates in β ladder)trans-136.9143.2178.6171.1-177.7-63.800109.2M14 I22 A23 V138 V139 M147 C151 I168 A171 M172M12-M14 HydrophobicContact CG-CG 4.36Å; M12-M14 HydrophobicContact SD-CE 3.5Å; M12-M14 VanDerWaalsContact SD-CE 3.5Å; M12-M14 HydrophobicContact SD-CG 4.37Å; M12-I22 CarbonylContact O-C 3.56Å; M12-I22 WeakPolarHBondContact O-CA 3.44Å; M12-I22 WeakPolarHBondContact O-CG1 3.29Å; M12-A23 PolarHBondContact N-O 3.01Å; M12-A23 PolarHBondContact O-N 3.26Å; M12-V138 WeakPolarHBondContact CA-O 3.43Å; M12-V139 HydrophobicContact CB-CG1 4.35Å; M12-V139 HydrophobicContact CE-CG1 3.89Å; M12-V139 HydrophobicContact CG-CG1 4.07Å; M12-M147 HydrophobicContact CB-SD 4.18Å; M12-M147 HydrophobicContact CE-CB 3.58Å; M12-M147 HydrophobicContact CE-CG 3.55Å; M12-M147 HydrophobicContact CE-SD 3.77Å; M12-C151 WeakPolarHBondContact CE-SG 3.37Å; M12-I168 HydrophobicContact CG-CD1 4.31Å; M12-I168 HydrophobicContact CG-CG1 4.24Å; M12-I168 HydrophobicContact SD-CG1 3.8Å; M12-A171 HydrophobicContact CE-CB 4.19Å; M12-A171 HydrophobicContact SD-CB 4.08Å; M12-M172 HydrophobicContact CB-CG 4.32Å; M12-M172 HydrophobicContact CB-SD 3.57Å; M12-M172 VanDerWaalsContact CB-SD 3.57Å; M12-M172 HydrophobicContact CE-CG 4.3Å; M12-M172 HydrophobicContact CE-SD 3.86Å; M12-M172 HydrophobicContact CG-SD 4.44Å; M12-M172 HydrophobicContact SD-CG 3.93Å; M12-M172 HydrophobicContact SD-SD 4.05Å
13A98Very high95.5Very high0 Ų025.5 Ų25.50%012%0.123CC..EExtended strand (participates in β ladder)trans-127.9142.9163.900000110.4A21 I22 V109 A111 I122 F137 V138A13-A21 CarbonylContact C-O 3.57Å; A13-A21 WeakPolarHBondContact CA-O 3.21Å; A13-A21 WeakPolarHBondContact CB-O 3.36Å; A13-I22 HydrophobicContact CB-CB 4.35Å; A13-I22 HydrophobicContact CB-CG1 4.34Å; A13-V109 HydrophobicContact CB-CG1 3.54Å; A13-A111 HydrophobicContact CB-CB 3.85Å; A13-I122 HydrophobicContact CB-CG2 4.09Å; A13-F137 CarbonylContact O-C 3.59Å; A13-F137 VanDerWaalsContact O-CA 3.24Å; A13-F137 WeakPolarHBondContact O-CA 3.42Å; A13-F137 WeakPolarHBondContact O-CB 3.34Å; A13-V138 HydrophobicContact CB-CG2 3.84Å; A13-V138 PolarHBondContact N-O 2.78Å; A13-V138 PolarHBondContact O-N 3.36Å
14M97.6Very high95.8Very high0 Ų021.9 Ų21.90%010%0.104CC..EExtended strand (participates in β ladder)trans-127.7143.7176.5-68.6-171.3-176.700109.9M12 A21 F137 C151 L164 T167 I168 A171M12-M14 HydrophobicContact CG-CG 4.36Å; M12-M14 HydrophobicContact SD-CE 3.5Å; M12-M14 VanDerWaalsContact SD-CE 3.5Å; M12-M14 HydrophobicContact SD-CG 4.37Å; M14-A21 PolarHBondContact N-O 2.92Å; M14-A21 PolarHBondContact O-N 3.33Å; M14-F137 HydrophobicContact CB-CB 4.47Å; M14-F137 HydrophobicContact CG-CB 3.86Å; M14-C151 HydrophobicContact CE-CB 4.36Å; M14-C151 VanDerWaalsContact CE-SG 3.5Å; M14-L164 HydrophobicContact CB-CD1 3.69Å; M14-L164 HydrophobicContact SD-CD1 4.47Å; M14-T167 HydrophobicContact CE-CG2 4.1Å; M14-T167 HydrophobicContact SD-CG2 3.81Å; M14-I168 HydrophobicContact CB-CD1 4.36Å; M14-I168 HydrophobicContact CE-CB 4.26Å; M14-I168 HydrophobicContact CE-CG1 4.26Å; M14-I168 HydrophobicContact CG-CB 4.41Å; M14-I168 HydrophobicContact CG-CD1 4.22Å; M14-I168 HydrophobicContact CG-CG1 4.17Å; M14-I168 HydrophobicContact SD-CB 3.82Å; M14-I168 HydrophobicContact SD-CG1 4.12Å; M14-A171 HydrophobicContact CE-CB 3.6Å
15R97.1Very high96.2Very high56 Ų5620.8 Ų20.821%0.21110%0.099CC..EExtended strand (participates in β ladder)trans-95136174.1-160.8-171.7-171.9-157.112.5110.1V20 P120 I122 E135 D136 W155R15-V20 HydrophobicContact CG-CG1 4.5Å; R15-P120 HydrophobicContact CG-CB 3.88Å; R15-P120 HydrophobicContact CG-CG 4.07Å; R15-P120 PolarHBondContact NE-O 3.05Å; R15-P120 VanDerWaalsContact NE-O 3.17Å; R15-P120 PolarHBondContact NH2-O 2.83Å; R15-I122 HydrophobicContact CB-CD1 4.01Å; R15-I122 HydrophobicContact CB-CG1 4.45Å; R15-E135 WeakPolarHBondContact CD-O 3.4Å; R15-E135 IonicContact CZ-OE2 3.97Å; R15-E135 VanDerWaalsContact NH1-CD 3.31Å; R15-E135 IonicContact NH1-OE2 3.4Å; R15-E135 PolarHBondContact NH1-OE2 3.46Å; R15-E135 IonicContact NH2-OE2 2.84Å; R15-E135 PolarHBondContact NH2-OE2 2.7Å; R15-D136 WeakPolarHBondContact CB-O 3.25Å; R15-D136 PolarHBondContact N-O 2.89Å; R15-W155 PolarHBondContact O-NE1 2.64Å
16G95.1Very high96.3Very high7 Ų720.8 Ų20.87%0.0729%0.094CC..  trans-124.9-165.4167.100000111.2N18 C19G16-N18 PolarHBondContact O-N 2.81Å; G16-C19 CarbonylContact C-O 3.58Å; G16-C19 PolarHBondContact N-O 3.45Å
17K92.8Very high96.4Very high89 Ų8917 Ų1739%0.3878%0.079SC..SBendtrans-77111.4179-172.5-176.3176.6-172.10110.6C19 D158 M159 E160K17-C19 PolarHBondContact O-N 3.3Å; K17-C19 PolarHBondContact O-SG 2.94Å; K17-D158 HydrophobicContact CB-CB 4.35Å; K17-D158 HydrophobicContact CD-CB 4.46Å; K17-M159 WeakPolarHBondContact CB-O 3.4Å; K17-M159 PolarHBondContact N-O 2.67Å; K17-E160 VanDerWaalsContact CD-OE1 3.27Å; K17-E160 WeakPolarHBondContact CD-OE1 3.31Å; K17-E160 IonicContact NZ-OE1 2.69Å; K17-E160 PolarHBondContact NZ-OE1 3.5Å
18N93.9Very high96.5Very high107 Ų10719.8 Ų19.857%0.5729%0.089SC*.SBendtrans52.918.7-177.6-58.6-43.8000114.7G16G16-N18 PolarHBondContact O-N 2.81Å
19C95.6Very high96.5Very high1 Ų119.6 Ų19.61%0.0079%0.088CC..  trans-144157.2179.861.40000109.7G16 K17 P161 I191 E192G16-C19 CarbonylContact C-O 3.58Å; G16-C19 PolarHBondContact N-O 3.45Å; K17-C19 PolarHBondContact O-N 3.3Å; K17-C19 PolarHBondContact O-SG 2.94Å; C19-P161 HydrophobicContact CB-CG 4.15Å; C19-I191 VanDerWaalsContact CA-O 3.31Å; C19-I191 WeakPolarHBondContact CA-O 3.34Å; C19-I191 WeakPolarHBondContact CB-O 3.24Å; C19-E192 HydrophobicContact CB-CG 4.23Å
20V97.4Very high96.5Very high0 Ų022.8 Ų22.80%010%0.103CC..EExtended strand (participates in β ladder)trans-134.9145.2173.2-63.70000108.9R15 A111 L113 P120 I122 I191R15-V20 HydrophobicContact CG-CG1 4.5Å; V20-A111 HydrophobicContact CG2-CB 4.4Å; V20-L113 HydrophobicContact CG1-CD2 4.09Å; V20-L113 HydrophobicContact CG2-CD2 4.15Å; V20-P120 HydrophobicContact CG1-CB 3.32Å; V20-I122 HydrophobicContact CG1-CG2 4.22Å; V20-I191 HydrophobicContact CG2-CB 3.77Å; V20-I191 HydrophobicContact CG2-CD1 3.88Å; V20-I191 HydrophobicContact CG2-CG1 4.28Å; V20-I191 HydrophobicContact CG2-CG2 4.4Å; V20-I191 PolarHBondContact N-O 2.71Å; V20-I191 VanDerWaalsContact N-O 3.07Å; V20-I191 PolarHBondContact O-N 2.95Å
21A97.9Very high96.3Very high0 Ų027.2 Ų27.20%012%0.124CC..EExtended strand (participates in β ladder)trans-117.2142173.800000109.8A13 M14 L164 I168 H189 V190A13-A21 CarbonylContact C-O 3.57Å; A13-A21 WeakPolarHBondContact CA-O 3.21Å; A13-A21 WeakPolarHBondContact CB-O 3.36Å; M14-A21 PolarHBondContact N-O 2.92Å; M14-A21 PolarHBondContact O-N 3.33Å; A21-L164 HydrophobicContact CB-CD2 3.74Å; A21-L164 HydrophobicContact CB-CG 3.82Å; A21-I168 HydrophobicContact CB-CB 4.47Å; A21-I168 HydrophobicContact CB-CD1 3.68Å; A21-I168 HydrophobicContact CB-CG2 4.07Å; A21-H189 CarbonylContact C-O 3.49Å; A21-H189 VanDerWaalsContact CA-O 3.31Å; A21-H189 WeakPolarHBondContact CA-O 3.38Å; A21-V190 HydrophobicContact CB-CG2 4.33Å
22I98.3Very high96Very high0 Ų031.9 Ų31.90%016%0.163CC..EExtended strand (participates in β ladder)trans-131.4134.4171.3-173.5169.1000109.2V11 M12 A13 V42 V109 A111 H189V11-I22 HydrophobicContact CG1-CD1 4.47Å; V11-I22 HydrophobicContact CG1-CG1 4.47Å; M12-I22 CarbonylContact O-C 3.56Å; M12-I22 WeakPolarHBondContact O-CA 3.44Å; M12-I22 WeakPolarHBondContact O-CG1 3.29Å; A13-I22 HydrophobicContact CB-CB 4.35Å; A13-I22 HydrophobicContact CB-CG1 4.34Å; I22-V42 HydrophobicContact CD1-CG1 4.17Å; I22-V42 HydrophobicContact CD1-CG2 4.36Å; I22-V42 HydrophobicContact CG1-CG1 4.48Å; I22-V42 HydrophobicContact CG1-CG2 4.3Å; I22-V42 HydrophobicContact CG2-CG1 4.07Å; I22-V109 HydrophobicContact CD1-CG1 4.44Å; I22-A111 HydrophobicContact CB-CB 3.93Å; I22-A111 HydrophobicContact CD1-CB 4.14Å; I22-A111 HydrophobicContact CG1-CB 4.48Å; I22-A111 HydrophobicContact CG2-CB 4.45Å; I22-H189 HydrophobicContact CG2-CB 3.85Å; I22-H189 PolarHBondContact N-O 3.32Å; I22-H189 PolarHBondContact O-N 3.37Å
23A98.1Very high95.9Very high0 Ų038.7 Ų38.70%019%0.194CC..EExtended strand (participates in β ladder)trans-132.1149-177.400000111.2V11 M12 I168 M172 V186 V187 V188V11-A23 WeakPolarHBondContact CA-O 3.48Å; M12-A23 PolarHBondContact N-O 3.01Å; M12-A23 PolarHBondContact O-N 3.26Å; A23-I168 HydrophobicContact CB-CD1 3.73Å; A23-I168 HydrophobicContact CB-CG1 3.95Å; A23-M172 HydrophobicContact CB-CE 4.42Å; A23-M172 HydrophobicContact CB-CG 3.7Å; A23-M172 HydrophobicContact CB-SD 4.41Å; A23-V186 HydrophobicContact CB-CG1 4.41Å; A23-V187 CarbonylContact C-O 3.55Å; A23-V187 WeakPolarHBondContact CA-O 3.44Å; A23-V188 HydrophobicContact CB-CB 4.48Å; A23-V188 HydrophobicContact CB-CG1 4.48Å; A23-V188 HydrophobicContact CB-CG2 3.94Å
24A98Very high95.8Very high0 Ų042.7 Ų42.70%021%0.214CC..EExtended strand (participates in β ladder)trans-148.1151.9173.500000111.9A10 V11 K41 V42 V186 V187A10-A24 VanDerWaalsContact O-CA 3.26Å; A10-A24 WeakPolarHBondContact O-CA 3.47Å; V11-A24 HydrophobicContact CG2-CB 3.97Å; A24-K41 HydrophobicContact CB-CB 4.01Å; A24-V42 HydrophobicContact CB-CG2 3.59Å; A24-V186 WeakPolarHBondContact O-CA 3.31Å; A24-V187 PolarHBondContact N-O 2.81Å; A24-V187 PolarHBondContact O-N 3.1Å
25D96.9Very high95.7Very high0 Ų046.2 Ų46.20%024%0.235CC..EExtended strand (participates in β ladder)trans-74.6162.5168.680.4-52.8000111.4G9 A10 K41 V176 G183 G185G9-D25 VanDerWaalsContact CA-OD1 3.24Å; G9-D25 WeakPolarHBondContact CA-OD1 3.4Å; A10-D25 PolarHBondContact N-OD1 2.86Å; A10-D25 PolarHBondContact O-N 3.45Å; D25-K41 WeakPolarHBondContact OD1-CD 3.44Å; D25-K41 IonicContact OD1-NZ 2.75Å; D25-K41 PolarHBondContact OD1-NZ 2.86Å; D25-K41 IonicContact OD2-NZ 3.7Å; D25-K41 PolarHBondContact OD2-NZ 3.02Å; D25-V176 HydrophobicContact CB-CG1 4.41Å; D25-G183 PolarHBondContact OD2-N 3.31Å; D25-G185 WeakPolarHBondContact CA-O 3.46Å
26R96.2Very high95.6Very high69 Ų6945.9 Ų45.926%0.2624%0.24SC..  trans-111.9-2.1-173.1-59.1-179.161.3139.16.5114.3Y28 T37 D38 F39 G183 G185 T200R26-Y28 PolarHBondContact O-N 2.86Å; R26-T37 WeakPolarHBondContact CB-O 3.47Å; R26-T37 PolarHBondContact NE-O 2.98Å; R26-T37 CarbonylContact O-C 3.48Å; R26-D38 PolarHBondContact O-N 3.45Å; R26-F39 PolarHBondContact O-N 2.98Å; R26-F39 VanDerWaalsContact O-N 3.11Å; R26-G183 PolarHBondContact N-O 3.29Å; R26-G185 PolarHBondContact N-O 3.22Å; R26-T200 PolarHBondContact NH1-OG1 3.2Å
27R95.9Very high95.6Very high14 Ų1447.7 Ų47.75%0.05325%0.25CC..  trans-64.6130.5178.9-175.8179175.8-76.7-4.4111.1N7 Q31 M34 K41 V181 G183 M184N7-R27 PolarHBondContact O-NH1 2.86Å; N7-R27 VanDerWaalsContact O-NH1 3.15Å; R27-Q31 PolarHBondContact NH2-O 2.62Å; R27-M34 HydrophobicContact CG-CG 4.49Å; R27-K41 WeakPolarHBondContact O-CE 3.34Å; R27-K41 PolarHBondContact O-NZ 2.72Å; R27-V181 WeakPolarHBondContact CD-O 3.43Å; R27-V181 PolarHBondContact NH1-O 2.78Å; R27-G183 WeakPolarHBondContact CB-O 3.13Å; R27-G183 PolarHBondContact N-O 3.46Å; R27-G183 VanDerWaalsContact N-O 3.11Å; R27-M184 HydrophobicContact CB-CB 3.99Å; R27-M184 HydrophobicContact CB-CG 3.87Å; R27-M184 HydrophobicContact CG-CG 3.9Å
28Y96.5Very high95.8Very high68 Ų6848.2 Ų48.227%0.26726%0.257SS..EExtended strand (participates in β ladder)trans-119.4117.1159.2171.9-116.6000109.2R26 V35 T36 F39 A57R26-Y28 PolarHBondContact O-N 2.86Å; Y28-V35 HydrophobicContact CD1-CB 3.73Å; Y28-V35 HydrophobicContact CD1-CG1 4.06Å; Y28-V35 HydrophobicContact CD1-CG2 4.4Å; Y28-V35 HydrophobicContact CE1-CB 3.92Å; Y28-V35 HydrophobicContact CE1-CG1 3.97Å; Y28-V35 HydrophobicContact CE1-CG2 4.26Å; Y28-V35 PolarHBondContact O-N 2.79Å; Y28-T36 PolarHBondContact N-O 2.9Å; Y28-T36 PolarHBondContact O-N 2.93Å; Y28-T36 VanDerWaalsContact O-N 3.12Å; Y28-F39 HydrophobicContact CD2-CD2 4.16Å; Y28-F39 HydrophobicContact CD2-CE2 4.31Å; Y28-F39 HydrophobicContact CD2-CG 4.47Å; Y28-F39 HydrophobicContact CG-CB 4.44Å; Y28-F39 HydrophobicContact CG-CD2 4.04Å; Y28-F39 HydrophobicContact CG-CG 4.32Å; Y28-A57 HydrophobicContact CD2-CB 4.02Å; Y28-A57 HydrophobicContact CE2-CB 3.58Å
29G94.1Very high95.9Very high0 Ų044.5 Ų44.50%024%0.235CC..EExtended strand (participates in β ladder)trans-134.1160.6179.600000112.1N7 Q33N7-G29 WeakPolarHBondContact CA-O 3.39Å; N7-G29 PolarHBondContact ND2-O 3.22Å; G29-Q33 CarbonylContact C-O 3.56Å; G29-Q33 WeakPolarHBondContact CA-O 3.27Å
30I94.8Very high95.8Very high67 Ų6749.7 Ų49.734%0.34426%0.26SS..EExtended strand (participates in β ladder)trans-108.4101.1166.9-65172.1000105.8Y6 A32 Q33 V35Y6-I30 HydrophobicContact CE1-CG2 4.12Å; Y6-I30 WeakPolarHBondContact OH-CG2 3.14Å; I30-A32 PolarHBondContact O-N 3.18Å; I30-Q33 PolarHBondContact N-O 2.99Å; I30-Q33 PolarHBondContact O-N 3.34Å; I30-V35 HydrophobicContact CD1-CG2 4.2Å; I30-V35 HydrophobicContact CG1-CG2 4.13Å
31Q92.9Very high95.8Very high94 Ų9450.2 Ų50.244%0.43926%0.262SS..THydrogen-bonded Turntrans52-121.9-170.9-57.5178.7-17.700110.6Y6 R27 Q33Y6-Q31 HydrophobicContact CD2-CG 3.81Å; Y6-Q31 HydrophobicContact CE2-CG 3.73Å; Y6-Q31 WeakPolarHBondContact O-CA 3.43Å; Y6-Q31 PolarHBondContact O-N 3.16Å; R27-Q31 PolarHBondContact NH2-O 2.62Å; Q31-Q33 VanDerWaalsContact C-N 3.34Å
32A92.4Very high95.8Very high97 Ų9750.4 Ų50.480%0.80226%0.263SS*.THydrogen-bonded Turntrans-73.5-22.3-179.600000113.7I30 M34I30-A32 PolarHBondContact O-N 3.18Å; A32-M34 PolarHBondContact O-N 3.02Å
33Q94.7Very high95.7Very high143 Ų14352 Ų5267%0.66827%0.27SS*.EExtended strand (participates in β ladder)trans-85.5115.6-176.4-173176.17.600110.6G29 I30 Q31G29-Q33 CarbonylContact C-O 3.56Å; G29-Q33 WeakPolarHBondContact CA-O 3.27Å; I30-Q33 PolarHBondContact N-O 2.99Å; I30-Q33 PolarHBondContact O-N 3.34Å; Q31-Q33 VanDerWaalsContact C-N 3.34Å
34M95Very high95.6Very high85 Ų8554.9 Ų54.942%0.41929%0.289SS..EExtended strand (participates in β ladder)trans-71.3137.6169.8-175.1-81.4-68.800110.1R27 A32 T36 T37 M184R27-M34 HydrophobicContact CG-CG 4.49Å; A32-M34 PolarHBondContact O-N 3.02Å; M34-T36 PolarHBondContact SD-N 3.07Å; M34-T36 VanDerWaalsContact SD-N 3.43Å; M34-T37 HydrophobicContact CE-CG2 3.99Å; M34-T37 HydrophobicContact CG-CG2 4.43Å; M34-T37 HydrophobicContact SD-CG2 3.77Å; M34-M184 HydrophobicContact CE-CE 4.35Å; M34-M184 HydrophobicContact CG-CG 4.5Å
35V95.9Very high95.4Very high73 Ų7355 Ų5544%0.44229%0.289SS..EExtended strand (participates in β ladder)trans-109.7-51.9178.2-175.40000110.3Y28 I30Y28-V35 HydrophobicContact CD1-CB 3.73Å; Y28-V35 HydrophobicContact CD1-CG1 4.06Å; Y28-V35 HydrophobicContact CD1-CG2 4.4Å; Y28-V35 HydrophobicContact CE1-CB 3.92Å; Y28-V35 HydrophobicContact CE1-CG1 3.97Å; Y28-V35 HydrophobicContact CE1-CG2 4.26Å; Y28-V35 PolarHBondContact O-N 2.79Å; I30-V35 HydrophobicContact CD1-CG2 4.2Å; I30-V35 HydrophobicContact CG1-CG2 4.13Å
36T96.1Very high95.1Very high50 Ų5056.1 Ų56.131%0.30730%0.3SS..EExtended strand (participates in β ladder)trans-142.7164.817479.50000112.7Y28 M34 D38Y28-T36 PolarHBondContact N-O 2.9Å; Y28-T36 PolarHBondContact O-N 2.93Å; Y28-T36 VanDerWaalsContact O-N 3.12Å; M34-T36 PolarHBondContact SD-N 3.07Å; M34-T36 VanDerWaalsContact SD-N 3.43Å; T36-D38 VanDerWaalsContact CB-OD1 3.24Å; T36-D38 WeakPolarHBondContact CB-OD1 3.5Å; T36-D38 PolarHBondContact OG1-OD1 3.12Å
37T95.4Very high94.8Very high45 Ų4557.6 Ų57.628%0.27631%0.313SS..SBendtrans-118.218.6-177.366.30000112.7R26 M34 M184 M205R26-T37 WeakPolarHBondContact CB-O 3.47Å; R26-T37 PolarHBondContact NE-O 2.98Å; R26-T37 CarbonylContact O-C 3.48Å; M34-T37 HydrophobicContact CE-CG2 3.99Å; M34-T37 HydrophobicContact CG-CG2 4.43Å; M34-T37 HydrophobicContact SD-CG2 3.77Å; T37-M184 HydrophobicContact CG2-CB 3.79Å; T37-M184 HydrophobicContact CG2-CE 3.6Å; T37-M184 HydrophobicContact CG2-CG 4.21Å; T37-M205 HydrophobicContact CG2-CE 4.21Å
38D95.1Very high94.8Very high100 Ų10060.4 Ų60.454%0.53532%0.324SS..  trans-134.622.1-172.765.8-19.6000113.2R26 T36 Q40R26-D38 PolarHBondContact O-N 3.45Å; T36-D38 VanDerWaalsContact CB-OD1 3.24Å; T36-D38 WeakPolarHBondContact CB-OD1 3.5Å; T36-D38 PolarHBondContact OG1-OD1 3.12Å; D38-Q40 PolarHBondContact O-N 2.82Å
39F96Very high94.8Very high29 Ų2957.5 Ų57.513%0.12731%0.313CS..  trans-73.8126.2-178.5-173.8-94.5000111.8R26 Y28 K41 A57 V60 Q61R26-F39 PolarHBondContact O-N 2.98Å; R26-F39 VanDerWaalsContact O-N 3.11Å; Y28-F39 HydrophobicContact CD2-CD2 4.16Å; Y28-F39 HydrophobicContact CD2-CE2 4.31Å; Y28-F39 HydrophobicContact CD2-CG 4.47Å; Y28-F39 HydrophobicContact CG-CB 4.44Å; Y28-F39 HydrophobicContact CG-CD2 4.04Å; Y28-F39 HydrophobicContact CG-CG 4.32Å; F39-K41 HydrophobicContact CD1-CG 3.76Å; F39-K41 HydrophobicContact CE1-CG 4.06Å; F39-K41 PolarHBondContact O-N 2.89Å; F39-A57 HydrophobicContact CZ-CB 4.05Å; F39-V60 HydrophobicContact CE1-CG1 4.13Å; F39-V60 HydrophobicContact CZ-CG1 4.34Å; F39-Q61 HydrophobicContact CZ-CG 4.29Å
40Q94.9Very high94.9Very high110 Ų11058.9 Ų58.951%0.51432%0.318SS..  trans-80119.2-179.5-175.7177.25.300111.1D38 V42 F43D38-Q40 PolarHBondContact O-N 2.82Å; Q40-V42 VanDerWaalsContact CG-O 3.29Å; Q40-V42 WeakPolarHBondContact CG-O 3.41Å; Q40-V42 PolarHBondContact NE2-O 3.09Å; Q40-F43 HydrophobicContact CB-CE1 4.45Å; Q40-F43 HydrophobicContact CG-CD1 4.26Å; Q40-F43 HydrophobicContact CG-CE1 3.95Å; Q40-F43 HydrophobicContact CG-CZ 4.37Å; Q40-F43 VanDerWaalsContact O-CZ 3.25Å; Q40-F43 WeakPolarHBondContact O-CZ 3.31Å
41K96.8Very high95.1Very high11 Ų1155.7 Ų55.75%0.04830%0.302CS..  trans-107.8-16.2174.3-59.8-178.8-168.1177.10113.3V11 A24 D25 R27 F39 G52 L53V11-K41 HydrophobicContact CG2-CB 4.37Å; A24-K41 HydrophobicContact CB-CB 4.01Å; D25-K41 WeakPolarHBondContact OD1-CD 3.44Å; D25-K41 IonicContact OD1-NZ 2.75Å; D25-K41 PolarHBondContact OD1-NZ 2.86Å; D25-K41 IonicContact OD2-NZ 3.7Å; D25-K41 PolarHBondContact OD2-NZ 3.02Å; R27-K41 WeakPolarHBondContact O-CE 3.34Å; R27-K41 PolarHBondContact O-NZ 2.72Å; F39-K41 HydrophobicContact CD1-CG 3.76Å; F39-K41 HydrophobicContact CE1-CG 4.06Å; F39-K41 PolarHBondContact O-N 2.89Å; K41-G52 CarbonylContact O-C 3.51Å; K41-G52 WeakPolarHBondContact O-CA 3.3Å; K41-L53 PolarHBondContact O-N 3.3Å
42V97.3Very high95.3Very high3 Ų351.2 Ų51.22%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-111124.7-178.3179.40000110I22 A24 Q40 Y50 I51I22-V42 HydrophobicContact CD1-CG1 4.17Å; I22-V42 HydrophobicContact CD1-CG2 4.36Å; I22-V42 HydrophobicContact CG1-CG1 4.48Å; I22-V42 HydrophobicContact CG1-CG2 4.3Å; I22-V42 HydrophobicContact CG2-CG1 4.07Å; A24-V42 HydrophobicContact CB-CG2 3.59Å; Q40-V42 VanDerWaalsContact CG-O 3.29Å; Q40-V42 WeakPolarHBondContact CG-O 3.41Å; Q40-V42 PolarHBondContact NE2-O 3.09Å; V42-Y50 HydrophobicContact CG1-CD1 3.69Å; V42-Y50 HydrophobicContact CG1-CG 4.35Å; V42-I51 CarbonylContact C-O 3.49Å; V42-I51 WeakPolarHBondContact CA-O 3.36Å
43F97.6Very high95.6Very high35 Ų3546.6 Ų46.615%0.15424%0.243CC..EExtended strand (participates in β ladder)trans-123.1135.9-172.8-57.3-83.4000111.7Q40 M45 Y50 I51 L53 V60 A64Q40-F43 HydrophobicContact CB-CE1 4.45Å; Q40-F43 HydrophobicContact CG-CD1 4.26Å; Q40-F43 HydrophobicContact CG-CE1 3.95Å; Q40-F43 HydrophobicContact CG-CZ 4.37Å; Q40-F43 VanDerWaalsContact O-CZ 3.25Å; Q40-F43 WeakPolarHBondContact O-CZ 3.31Å; F43-M45 HydrophobicContact CB-CE 4.14Å; F43-Y50 WeakPolarHBondContact O-CA 3.44Å; F43-I51 HydrophobicContact CB-CG2 4.04Å; F43-I51 PolarHBondContact N-O 2.87Å; F43-I51 PolarHBondContact O-N 2.57Å; F43-L53 HydrophobicContact CD2-CD1 4.15Å; F43-L53 HydrophobicContact CD2-CG 4.42Å; F43-L53 HydrophobicContact CE2-CD1 4.07Å; F43-L53 HydrophobicContact CE2-CG 4.46Å; F43-V60 HydrophobicContact CE2-CG1 3.92Å; F43-V60 HydrophobicContact CZ-CG1 4.16Å; F43-A64 HydrophobicContact CD1-CB 4.23Å; F43-A64 HydrophobicContact CD2-CB 3.87Å; F43-A64 HydrophobicContact CE1-CB 4.22Å; F43-A64 HydrophobicContact CE2-CB 3.85Å; F43-A64 HydrophobicContact CG-CB 4.06Å; F43-A64 HydrophobicContact CZ-CB 4.03Å
44P96.1Very high95.6Very high60 Ų6039.8 Ų39.839%0.3921%0.211SC..EExtended strand (participates in β ladder)trans-77.4124.1175.530-33.2000111.9Y50 K68P44-Y50 HydrophobicContact CB-CD1 4.23Å; P44-Y50 HydrophobicContact CB-CE1 3.81Å; P44-K68 PolarHBondContact O-NZ 3.18Å
45M93.8Very high95.6Very high3 Ų336 Ų362%0.01519%0.194CC..SBendtrans-113.923.5-180-64.9-63.2179.600111.9F43 L49 I51 L67 K68 L71 F87F43-M45 HydrophobicContact CB-CE 4.14Å; M45-L49 HydrophobicContact CB-CD2 4.3Å; M45-L49 HydrophobicContact CB-CG 4.26Å; M45-L49 PolarHBondContact N-O 3.37Å; M45-I51 HydrophobicContact CE-CG2 3.47Å; M45-I51 VanDerWaalsContact CE-CG2 3.47Å; M45-I51 HydrophobicContact CG-CB 4.22Å; M45-I51 HydrophobicContact CG-CG2 3.54Å; M45-I51 HydrophobicContact SD-CG2 4.36Å; M45-L67 HydrophobicContact CE-CB 4.03Å; M45-K68 HydrophobicContact SD-CD 4.08Å; M45-L71 HydrophobicContact CB-CD2 3.91Å; M45-L71 WeakPolarHBondContact O-CD2 3.48Å; M45-L71 HydrophobicContact SD-CD2 3.97Å; M45-F87 HydrophobicContact CB-CE1 4.28Å; M45-F87 HydrophobicContact CB-CE2 4.09Å; M45-F87 HydrophobicContact CB-CZ 3.85Å; M45-F87 HydrophobicContact CG-CE1 4.2Å; M45-F87 HydrophobicContact CG-CE2 4.09Å; M45-F87 HydrophobicContact CG-CZ 3.55Å; M45-F87 HydrophobicContact SD-CE2 4.39Å; M45-F87 HydrophobicContact SD-CZ 4.22Å
46G90.1Very high95.6Very high22 Ų2234 Ų3423%0.22718%0.181CC..SBendtrans152-176.6-178.700000109.5R48G46-R48 VanDerWaalsContact C-N 3.28Å; G46-R48 PolarHBondContact O-N 3.32Å
47D90.2Very high95.5Very high101 Ų10132 Ų3254%0.5417%0.169SC..THydrogen-bonded Turntrans-66.4-30.9-178-64.8-22.7000112.6Q81 I196D47-Q81 PolarHBondContact OD2-NE2 3.21Å; D47-I196 WeakPolarHBondContact O-CD1 3.41Å
48R94.8Very high95.5Very high73 Ų7334.1 Ų34.128%0.27518%0.182SC..THydrogen-bonded Turntrans-13829.3-174.6-56.5178.7-162.8-170.3-5.1112.3G46 G112 L113 I191 K193G46-R48 VanDerWaalsContact C-N 3.28Å; G46-R48 PolarHBondContact O-N 3.32Å; R48-G112 CarbonylContact O-C 3.59Å; R48-G112 WeakPolarHBondContact O-CA 3.45Å; R48-L113 HydrophobicContact CB-CB 4.31Å; R48-L113 PolarHBondContact O-N 2.86Å; R48-I191 HydrophobicContact CB-CG2 3.88Å; R48-I191 HydrophobicContact CG-CG2 4.39Å; R48-K193 PolarHBondContact NH1-O 3.04Å; R48-K193 PolarHBondContact NH2-O 3.17Å
49L96.4Very high95.6Very high7 Ų730.3 Ų30.34%0.03716%0.162CC..EExtended strand (participates in β ladder)trans-136.2123.7-177.4-176.565.1000109M45 I82 P84 F87 I110M45-L49 HydrophobicContact CB-CD2 4.3Å; M45-L49 HydrophobicContact CB-CG 4.26Å; M45-L49 PolarHBondContact N-O 3.37Å; L49-I82 HydrophobicContact CD2-CG2 3.72Å; L49-P84 HydrophobicContact CD1-CB 4.08Å; L49-P84 HydrophobicContact CD1-CG 4.22Å; L49-F87 HydrophobicContact CD1-CD1 4.45Å; L49-F87 HydrophobicContact CD2-CB 3.87Å; L49-F87 HydrophobicContact CD2-CD1 3.84Å; L49-F87 HydrophobicContact CD2-CD2 4.4Å; L49-F87 HydrophobicContact CD2-CG 3.77Å; L49-F87 HydrophobicContact CG-CD1 4.32Å; L49-I110 HydrophobicContact CD1-CG2 3.77Å
50Y97.8Very high95.6Very high28 Ų2829.1 Ų29.111%0.1116%0.157CC..EExtended strand (participates in β ladder)trans-126.1150.9179.6-75.7-102.7000110.2V42 F43 P44 A111 I191 I196V42-Y50 HydrophobicContact CG1-CD1 3.69Å; V42-Y50 HydrophobicContact CG1-CG 4.35Å; F43-Y50 WeakPolarHBondContact O-CA 3.44Å; P44-Y50 HydrophobicContact CB-CD1 4.23Å; P44-Y50 HydrophobicContact CB-CE1 3.81Å; Y50-A111 PolarHBondContact N-O 2.9Å; Y50-A111 PolarHBondContact O-N 2.81Å; Y50-I191 HydrophobicContact CD2-CD1 3.3Å; Y50-I191 HydrophobicContact CD2-CG1 4.04Å; Y50-I191 HydrophobicContact CE2-CD1 3.92Å; Y50-I191 HydrophobicContact CE2-CG1 4.16Å; Y50-I191 HydrophobicContact CG-CD1 4.08Å; Y50-I196 HydrophobicContact CE2-CD1 3.96Å; Y50-I196 HydrophobicContact CE2-CG2 4.46Å
51I97.8Very high95.6Very high0 Ų028.6 Ų28.60%016%0.155CC..EExtended strand (participates in β ladder)trans-124.9124.8170.4-168.2174.2000108.9V42 F43 M45 L53 L67 F87 V91 P108 V109 I110V42-I51 CarbonylContact C-O 3.49Å; V42-I51 WeakPolarHBondContact CA-O 3.36Å; F43-I51 HydrophobicContact CB-CG2 4.04Å; F43-I51 PolarHBondContact N-O 2.87Å; F43-I51 PolarHBondContact O-N 2.57Å; M45-I51 HydrophobicContact CE-CG2 3.47Å; M45-I51 VanDerWaalsContact CE-CG2 3.47Å; M45-I51 HydrophobicContact CG-CB 4.22Å; M45-I51 HydrophobicContact CG-CG2 3.54Å; M45-I51 HydrophobicContact SD-CG2 4.36Å; I51-L53 HydrophobicContact CD1-CD2 3.76Å; I51-L53 HydrophobicContact CG1-CD2 3.81Å; I51-L53 HydrophobicContact CG1-CG 4.34Å; I51-L67 HydrophobicContact CD1-CD1 3.56Å; I51-F87 HydrophobicContact CB-CE1 4.11Å; I51-F87 HydrophobicContact CB-CZ 4.38Å; I51-F87 HydrophobicContact CD1-CE1 3.98Å; I51-F87 HydrophobicContact CD1-CZ 4.02Å; I51-F87 HydrophobicContact CG1-CE1 4.43Å; I51-V91 HydrophobicContact CD1-CG2 4.03Å; I51-P108 HydrophobicContact CD1-CB 4.09Å; I51-P108 HydrophobicContact CG1-CB 4.28Å; I51-V109 CarbonylContact C-O 3.52Å; I51-V109 WeakPolarHBondContact CA-O 3.37Å; I51-I110 HydrophobicContact CD1-CG1 4.32Å; I51-I110 HydrophobicContact CG1-CG1 4.11Å
52G97.7Very high95.6Very high0 Ų030.2 Ų30.20%017%0.165CC..EExtended strand (participates in β ladder)trans-98.1135.1168.800000110K41 P108 V109K41-G52 CarbonylContact O-C 3.51Å; K41-G52 WeakPolarHBondContact O-CA 3.3Å; G52-P108 CarbonylContact O-C 3.54Å; G52-P108 WeakPolarHBondContact O-CA 3.12Å; G52-V109 PolarHBondContact N-O 2.8Å; G52-V109 PolarHBondContact O-N 2.7Å
53L97.3Very high95.5Very high0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-125113.8-176.7-61.3-179.5000109.3K41 F43 I51 V60 V63 A64 I106 P108K41-L53 PolarHBondContact O-N 3.3Å; F43-L53 HydrophobicContact CD2-CD1 4.15Å; F43-L53 HydrophobicContact CD2-CG 4.42Å; F43-L53 HydrophobicContact CE2-CD1 4.07Å; F43-L53 HydrophobicContact CE2-CG 4.46Å; I51-L53 HydrophobicContact CD1-CD2 3.76Å; I51-L53 HydrophobicContact CG1-CD2 3.81Å; I51-L53 HydrophobicContact CG1-CG 4.34Å; L53-V60 HydrophobicContact CB-CB 4.33Å; L53-V60 HydrophobicContact CB-CG1 3.91Å; L53-V60 HydrophobicContact CB-CG2 4.04Å; L53-V60 HydrophobicContact CD1-CG1 4.39Å; L53-V60 WeakPolarHBondContact CD1-O 3.36Å; L53-V63 HydrophobicContact CD1-CG1 4.49Å; L53-A64 HydrophobicContact CD1-CB 3.93Å; L53-I106 HydrophobicContact CD2-CD1 4.14Å; L53-P108 HydrophobicContact CD2-CB 3.6Å; L53-P108 HydrophobicContact CD2-CG 3.73Å
54A95.5Very high95.4Very high1 Ų128.8 Ų28.81%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-107.6151171.900000110.7V11 I106 E107V11-A54 HydrophobicContact CB-CB 4.36Å; V11-A54 HydrophobicContact CG2-CB 3.94Å; A54-I106 WeakPolarHBondContact O-CA 3.39Å; A54-E107 PolarHBondContact O-N 2.85Å
55G94.4Very high95.4Very high6 Ų632.5 Ų32.56%0.06217%0.173CC..EExtended strand (participates in β ladder)trans127-142.8179.800000113A57G55-A57 PolarHBondContact O-N 2.89Å
56L95.8Very high95.5Very high31 Ų3137.3 Ų37.316%0.16219%0.19CC..  trans-68.6121.9-178.8-173.870000111I3 Y6 T58 D59 V60 Y105I3-L56 HydrophobicContact CG2-CD1 4.23Å; I3-L56 HydrophobicContact CG2-CD2 4.24Å; Y6-L56 HydrophobicContact CD1-CD1 4.27Å; L56-T58 PolarHBondContact O-N 2.78Å; L56-T58 VanDerWaalsContact O-N 3.15Å; L56-D59 HydrophobicContact CB-CB 4.42Å; L56-D59 PolarHBondContact O-N 3.18Å; L56-V60 WeakPolarHBondContact O-CG2 3.48Å; L56-V60 PolarHBondContact O-N 3.45Å; L56-Y105 HydrophobicContact CD2-CD2 4.26Å; L56-Y105 PolarHBondContact N-O 3.18Å
57A95.2Very high95.8Very high7 Ų736.2 Ų36.26%0.05818%0.18CC..Hα-helixtrans-59.4-33.4-172.800000113.8N7 Y28 F39 G55 D59 V60 Q61N7-A57 HydrophobicContact CB-CB 4.28Å; N7-A57 WeakPolarHBondContact OD1-CB 3.29Å; N7-A57 PolarHBondContact OD1-N 3.11Å; Y28-A57 HydrophobicContact CD2-CB 4.02Å; Y28-A57 HydrophobicContact CE2-CB 3.58Å; F39-A57 HydrophobicContact CZ-CB 4.05Å; G55-A57 PolarHBondContact O-N 2.89Å; A57-D59 VanDerWaalsContact C-N 3.35Å; A57-V60 WeakPolarHBondContact O-CB 3.42Å; A57-V60 PolarHBondContact O-N 2.81Å; A57-Q61 PolarHBondContact O-N 2.85Å
58T96.1Very high96Very high89 Ų8935.1 Ų35.155%0.54617%0.17SC..Hα-helixtrans-61.4-44.2174.8-55.80000111.7L56 T62L56-T58 PolarHBondContact O-N 2.78Å; L56-T58 VanDerWaalsContact O-N 3.15Å; T58-T62 WeakPolarHBondContact O-CB 3.43Å; T58-T62 PolarHBondContact O-N 3.36Å; T58-T62 PolarHBondContact O-OG1 3.44Å
59D95.3Very high96.1Very high21 Ų2138.3 Ų38.311%0.11219%0.186CC..Hα-helixtrans-76.3-33.8-178.3-72-19.1000111.1L56 A57 Q61 T62 V63 Y104 Y105 I106L56-D59 HydrophobicContact CB-CB 4.42Å; L56-D59 PolarHBondContact O-N 3.18Å; A57-D59 VanDerWaalsContact C-N 3.35Å; D59-Q61 VanDerWaalsContact C-N 3.35Å; D59-Q61 PolarHBondContact O-N 2.97Å; D59-T62 PolarHBondContact O-N 2.89Å; D59-V63 VanDerWaalsContact O-CB 3.3Å; D59-V63 WeakPolarHBondContact O-CB 3.38Å; D59-V63 WeakPolarHBondContact O-CG2 3.08Å; D59-V63 PolarHBondContact O-N 3.29Å; D59-Y104 HydrophobicContact CB-CD1 4.13Å; D59-Y105 PolarHBondContact OD2-N 2.98Å; D59-I106 HydrophobicContact CB-CG2 3.7Å
60V96.2Very high96Very high3 Ų341.4 Ų41.42%0.01820%0.197CC..Hα-helixtrans-52.3-53.3170.6168.10000110.6F39 F43 L53 L56 A57 A64 I106F39-V60 HydrophobicContact CE1-CG1 4.13Å; F39-V60 HydrophobicContact CZ-CG1 4.34Å; F43-V60 HydrophobicContact CE2-CG1 3.92Å; F43-V60 HydrophobicContact CZ-CG1 4.16Å; L53-V60 HydrophobicContact CB-CB 4.33Å; L53-V60 HydrophobicContact CB-CG1 3.91Å; L53-V60 HydrophobicContact CB-CG2 4.04Å; L53-V60 HydrophobicContact CD1-CG1 4.39Å; L53-V60 WeakPolarHBondContact CD1-O 3.36Å; L56-V60 WeakPolarHBondContact O-CG2 3.48Å; L56-V60 PolarHBondContact O-N 3.45Å; A57-V60 WeakPolarHBondContact O-CB 3.42Å; A57-V60 PolarHBondContact O-N 2.81Å; V60-A64 VanDerWaalsContact O-CB 3.25Å; V60-A64 WeakPolarHBondContact O-CB 3.38Å; V60-A64 PolarHBondContact O-N 3.4Å; V60-I106 HydrophobicContact CG2-CG2 3.8Å
61Q96.3Very high95.9Very high100 Ų10040.1 Ų40.147%0.46719%0.192SC..Hα-helixtrans-67.3-44.1179.9-67.9-179.4-1400112.1F39 A57 D59 A64 Q65F39-Q61 HydrophobicContact CZ-CG 4.29Å; A57-Q61 PolarHBondContact O-N 2.85Å; D59-Q61 VanDerWaalsContact C-N 3.35Å; D59-Q61 PolarHBondContact O-N 2.97Å; Q61-A64 PolarHBondContact O-N 2.77Å; Q61-Q65 VanDerWaalsContact O-CG 3.28Å; Q61-Q65 WeakPolarHBondContact O-CG 3.32Å; Q61-Q65 PolarHBondContact O-N 2.88Å
62T95.9Very high95.8Very high44 Ų4443.5 Ų43.527%0.2721%0.21SC..Hα-helixtrans-62.8-46.2-177.5-60.60000111.6T58 D59 Q65 R66 Y104T58-T62 WeakPolarHBondContact O-CB 3.43Å; T58-T62 PolarHBondContact O-N 3.36Å; T58-T62 PolarHBondContact O-OG1 3.44Å; D59-T62 PolarHBondContact O-N 2.89Å; T62-Q65 PolarHBondContact O-N 2.86Å; T62-R66 WeakPolarHBondContact O-CB 3.39Å; T62-R66 WeakPolarHBondContact O-CG 2.95Å; T62-R66 PolarHBondContact O-N 2.95Å; T62-Y104 HydrophobicContact CG2-CE1 4.12Å
63V95.5Very high95.6Very high0 Ų047.8 Ų47.80%023%0.233CC..Hα-helixtrans-71.6-40.9-178.9170.60000110.8L53 D59 Q65 R66 L67 L94 Y104 I106L53-V63 HydrophobicContact CD1-CG1 4.49Å; D59-V63 VanDerWaalsContact O-CB 3.3Å; D59-V63 WeakPolarHBondContact O-CB 3.38Å; D59-V63 WeakPolarHBondContact O-CG2 3.08Å; D59-V63 PolarHBondContact O-N 3.29Å; V63-Q65 VanDerWaalsContact C-N 3.31Å; V63-Q65 PolarHBondContact O-N 2.97Å; V63-R66 PolarHBondContact O-N 3.19Å; V63-L67 HydrophobicContact CG1-CD1 3.56Å; V63-L67 HydrophobicContact CG1-CG 3.95Å; V63-L67 VanDerWaalsContact O-CB 3.29Å; V63-L67 WeakPolarHBondContact O-CB 3.24Å; V63-L67 VanDerWaalsContact O-CG 3.28Å; V63-L67 WeakPolarHBondContact O-CG 3.31Å; V63-L67 PolarHBondContact O-N 2.9Å; V63-L94 HydrophobicContact CG1-CD2 3.78Å; V63-Y104 HydrophobicContact CG2-CD1 3.74Å; V63-Y104 HydrophobicContact CG2-CD2 3.78Å; V63-Y104 HydrophobicContact CG2-CE1 4.03Å; V63-Y104 HydrophobicContact CG2-CE2 4.07Å; V63-Y104 HydrophobicContact CG2-CG 3.59Å; V63-I106 HydrophobicContact CB-CD1 3.5Å; V63-I106 VanDerWaalsContact CB-CD1 3.5Å; V63-I106 HydrophobicContact CG1-CD1 3.54Å; V63-I106 HydrophobicContact CG2-CD1 3.51Å
64A96.1Very high95.5Very high8 Ų850.1 Ų50.17%0.06624%0.242CC..Hα-helixtrans-55.6-46.3174.100000111.8F43 L53 V60 Q61 K68F43-A64 HydrophobicContact CD1-CB 4.23Å; F43-A64 HydrophobicContact CD2-CB 3.87Å; F43-A64 HydrophobicContact CE1-CB 4.22Å; F43-A64 HydrophobicContact CE2-CB 3.85Å; F43-A64 HydrophobicContact CG-CB 4.06Å; F43-A64 HydrophobicContact CZ-CB 4.03Å; L53-A64 HydrophobicContact CD1-CB 3.93Å; V60-A64 VanDerWaalsContact O-CB 3.25Å; V60-A64 WeakPolarHBondContact O-CB 3.38Å; V60-A64 PolarHBondContact O-N 3.4Å; Q61-A64 PolarHBondContact O-N 2.77Å; A64-K68 WeakPolarHBondContact O-CB 3.36Å; A64-K68 PolarHBondContact O-N 3.11Å
65Q96.2Very high95.4Very high139 Ų13952.7 Ų52.765%0.6525%0.254SS*.Hα-helixtrans-66.3-44.9178.6-70.4173.53.500112.5Q61 T62 V63 K68 F69Q61-Q65 VanDerWaalsContact O-CG 3.28Å; Q61-Q65 WeakPolarHBondContact O-CG 3.32Å; Q61-Q65 PolarHBondContact O-N 2.88Å; T62-Q65 PolarHBondContact O-N 2.86Å; V63-Q65 VanDerWaalsContact C-N 3.31Å; V63-Q65 PolarHBondContact O-N 2.97Å; Q65-K68 PolarHBondContact O-N 3.23Å; Q65-F69 PolarHBondContact O-N 3.31Å
66R95.6Very high95.5Very high103 Ų10359.4 Ų59.439%0.38929%0.288SS..Hα-helixtrans-64.9-39.8178.3-75.7-177.7175.3-146-6.3112.4T62 V63 F69 R70 L94 Y104T62-R66 WeakPolarHBondContact O-CB 3.39Å; T62-R66 WeakPolarHBondContact O-CG 2.95Å; T62-R66 PolarHBondContact O-N 2.95Å; V63-R66 PolarHBondContact O-N 3.19Å; R66-F69 PolarHBondContact O-N 3.14Å; R66-R70 PolarHBondContact O-N 2.92Å; R66-L94 HydrophobicContact CB-CD1 4.41Å; R66-L94 HydrophobicContact CB-CD2 4.46Å; R66-Y104 VanDerWaalsContact CZ-OH 3.29Å; R66-Y104 PolarHBondContact NH1-OH 3.08Å
67L95.6Very high95.4Very high0 Ų066.4 Ų66.40%032%0.316CS..Hα-helixtrans-64.5-44.9174.5-75.4173.3000110.8M45 I51 V63 F69 R70 L71 F87 V91 L94M45-L67 HydrophobicContact CE-CB 4.03Å; I51-L67 HydrophobicContact CD1-CD1 3.56Å; V63-L67 HydrophobicContact CG1-CD1 3.56Å; V63-L67 HydrophobicContact CG1-CG 3.95Å; V63-L67 VanDerWaalsContact O-CB 3.29Å; V63-L67 WeakPolarHBondContact O-CB 3.24Å; V63-L67 VanDerWaalsContact O-CG 3.28Å; V63-L67 WeakPolarHBondContact O-CG 3.31Å; V63-L67 PolarHBondContact O-N 2.9Å; L67-F69 VanDerWaalsContact C-N 3.27Å; L67-F69 PolarHBondContact O-N 3.3Å; L67-R70 PolarHBondContact O-N 3.31Å; L67-L71 VanDerWaalsContact O-CB 3.24Å; L67-L71 WeakPolarHBondContact O-CB 3.01Å; L67-L71 PolarHBondContact O-N 3.22Å; L67-F87 HydrophobicContact CD1-CZ 4.47Å; L67-V91 HydrophobicContact CD1-CG2 3.93Å; L67-V91 HydrophobicContact CD2-CB 4.4Å; L67-V91 HydrophobicContact CD2-CG2 3.73Å; L67-L94 HydrophobicContact CD1-CD2 4.48Å; L67-L94 HydrophobicContact CD2-CB 4.46Å; L67-L94 HydrophobicContact CD2-CD2 3.6Å; L67-L94 HydrophobicContact CG-CD2 3.68Å
68K95.4Very high95.4Very high78 Ų7870.2 Ų70.234%0.33933%0.333SS..Hα-helixtrans-60.2-40177.5-165.963.7173.5-176.10111.9P44 M45 A64 Q65 L71 N72P44-K68 PolarHBondContact O-NZ 3.18Å; M45-K68 HydrophobicContact SD-CD 4.08Å; A64-K68 WeakPolarHBondContact O-CB 3.36Å; A64-K68 PolarHBondContact O-N 3.11Å; Q65-K68 PolarHBondContact O-N 3.23Å; K68-L71 HydrophobicContact CD-CD2 4.38Å; K68-L71 PolarHBondContact O-N 2.96Å; K68-N72 WeakPolarHBondContact O-CB 3.19Å; K68-N72 PolarHBondContact O-N 3.38Å; K68-N72 PolarHBondContact O-ND2 3.08Å; K68-N72 PolarHBondContact O-OD1 3.5Å
69F96Very high95.1Very high139 Ų13969.4 Ų69.461%0.6134%0.342SS*.Hα-helixtrans-60.9-50174.5177.2-96.7000112.6Q65 R66 L67 L71 N72 L73Q65-F69 PolarHBondContact O-N 3.31Å; R66-F69 PolarHBondContact O-N 3.14Å; L67-F69 VanDerWaalsContact C-N 3.27Å; L67-F69 PolarHBondContact O-N 3.3Å; F69-L71 VanDerWaalsContact C-N 3.34Å; F69-L71 PolarHBondContact O-N 2.97Å; F69-N72 PolarHBondContact O-N 2.89Å; F69-L73 HydrophobicContact CD1-CD1 4Å; F69-L73 HydrophobicContact CE1-CD1 3.41Å; F69-L73 VanDerWaalsContact CE1-CD1 3.41Å; F69-L73 HydrophobicContact CE2-CD1 4.22Å; F69-L73 HydrophobicContact CZ-CD1 3.54Å; F69-L73 HydrophobicContact CZ-CG 4.45Å; F69-L73 WeakPolarHBondContact O-CG 3.35Å; F69-L73 PolarHBondContact O-N 3.45Å
70R95.2Very high94.9Very high73 Ų7374.5 Ų74.528%0.27536%0.36SS..Hα-helixtrans-63.9-39.9178.4-71.7-175.2179.5-163.1-1.7112.2R66 L67 L73 Y74 M90 E97R66-R70 PolarHBondContact O-N 2.92Å; L67-R70 PolarHBondContact O-N 3.31Å; R70-L73 PolarHBondContact O-N 2.91Å; R70-Y74 WeakPolarHBondContact O-CB 3.17Å; R70-Y74 PolarHBondContact O-N 3.17Å; R70-M90 HydrophobicContact CB-SD 3.8Å; R70-E97 IonicContact CZ-OE1 3.35Å; R70-E97 IonicContact CZ-OE2 3.66Å; R70-E97 IonicContact NH1-OE1 2.75Å; R70-E97 PolarHBondContact NH1-OE1 2.86Å; R70-E97 IonicContact NH1-OE2 3.15Å; R70-E97 VanDerWaalsContact NH2-CD 3.3Å; R70-E97 IonicContact NH2-OE1 3.04Å; R70-E97 PolarHBondContact NH2-OE1 3.02Å; R70-E97 IonicContact NH2-OE2 2.71Å; R70-E97 PolarHBondContact NH2-OE2 3.38Å
71L95.2Very high94.7Very high0 Ų078.7 Ų78.70%038%0.379CS..Hα-helixtrans-62.9-51177.917667000111.4M45 L67 K68 F69 L73 Y74 E75 I82M45-L71 HydrophobicContact CB-CD2 3.91Å; M45-L71 WeakPolarHBondContact O-CD2 3.48Å; M45-L71 HydrophobicContact SD-CD2 3.97Å; L67-L71 VanDerWaalsContact O-CB 3.24Å; L67-L71 WeakPolarHBondContact O-CB 3.01Å; L67-L71 PolarHBondContact O-N 3.22Å; K68-L71 HydrophobicContact CD-CD2 4.38Å; K68-L71 PolarHBondContact O-N 2.96Å; F69-L71 VanDerWaalsContact C-N 3.34Å; F69-L71 PolarHBondContact O-N 2.97Å; L71-L73 VanDerWaalsContact C-N 3.27Å; L71-L73 PolarHBondContact O-N 3.26Å; L71-Y74 WeakPolarHBondContact O-CB 3.46Å; L71-Y74 PolarHBondContact O-N 3.02Å; L71-E75 HydrophobicContact CD1-CG 4.2Å; L71-E75 PolarHBondContact O-N 3.16Å; L71-I82 HydrophobicContact CD1-CB 3.86Å; L71-I82 HydrophobicContact CD1-CD1 3.96Å; L71-I82 HydrophobicContact CD1-CG2 3.47Å; L71-I82 VanDerWaalsContact CD1-CG2 3.47Å
72N94.8Very high94.5Very high71 Ų7174.3 Ų74.338%0.3836%0.359SS..Hα-helixtrans-59.6-40.4-179.8-68.8-5.7000111.4K68 F69 L76K68-N72 WeakPolarHBondContact O-CB 3.19Å; K68-N72 PolarHBondContact O-N 3.38Å; K68-N72 PolarHBondContact O-ND2 3.08Å; K68-N72 PolarHBondContact O-OD1 3.5Å; F69-N72 PolarHBondContact O-N 2.89Å; N72-L76 WeakPolarHBondContact O-CB 3.47Å; N72-L76 VanDerWaalsContact O-CG 3.23Å; N72-L76 WeakPolarHBondContact O-CG 3.36Å; N72-L76 PolarHBondContact O-N 2.97Å
73L95.1Very high94.5Very high91 Ų9176.2 Ų76.248%0.47636%0.363SS..Hα-helixtrans-64.8-39.4174.7-74.4175.6000112.6F69 R70 L71 K77F69-L73 HydrophobicContact CD1-CD1 4Å; F69-L73 HydrophobicContact CE1-CD1 3.41Å; F69-L73 VanDerWaalsContact CE1-CD1 3.41Å; F69-L73 HydrophobicContact CE2-CD1 4.22Å; F69-L73 HydrophobicContact CZ-CD1 3.54Å; F69-L73 HydrophobicContact CZ-CG 4.45Å; F69-L73 WeakPolarHBondContact O-CG 3.35Å; F69-L73 PolarHBondContact O-N 3.45Å; R70-L73 PolarHBondContact O-N 2.91Å; L71-L73 VanDerWaalsContact C-N 3.27Å; L71-L73 PolarHBondContact O-N 3.26Å; L73-K77 VanDerWaalsContact O-CB 3.29Å; L73-K77 WeakPolarHBondContact O-CB 3.49Å; L73-K77 PolarHBondContact O-N 2.81Å
74Y95Very high94.5Very high48 Ų4876.4 Ų76.419%0.18837%0.365CS..Hα-helixtrans-63.1-48.9177.1179.2-89.9000111.4R70 L71 L76 K77 E78 R80 I82 M90R70-Y74 WeakPolarHBondContact O-CB 3.17Å; R70-Y74 PolarHBondContact O-N 3.17Å; L71-Y74 WeakPolarHBondContact O-CB 3.46Å; L71-Y74 PolarHBondContact O-N 3.02Å; Y74-L76 PolarHBondContact O-N 2.95Å; Y74-K77 PolarHBondContact O-N 2.96Å; Y74-E78 HydrophobicContact CD2-CG 4.2Å; Y74-E78 HydrophobicContact CE1-CB 4.41Å; Y74-E78 HydrophobicContact CE1-CG 4.18Å; Y74-E78 HydrophobicContact CE2-CG 3.83Å; Y74-E78 WeakPolarHBondContact O-CB 3.42Å; Y74-E78 PolarHBondContact O-N 2.83Å; Y74-R80 PolarHBondContact OH-NH2 2.87Å; Y74-I82 HydrophobicContact CD1-CB 4.18Å; Y74-I82 HydrophobicContact CD1-CD1 4Å; Y74-I82 HydrophobicContact CD1-CG1 4.12Å; Y74-I82 HydrophobicContact CE1-CB 4.08Å; Y74-I82 HydrophobicContact CE1-CD1 4.14Å; Y74-I82 HydrophobicContact CE1-CG1 3.86Å; Y74-I82 HydrophobicContact CG-CD1 4.43Å; Y74-M90 HydrophobicContact CD2-CE 4.17Å; Y74-M90 HydrophobicContact CG-CE 4.05Å
75E93.5Very high94.4Very high55 Ų5582.5 Ų82.526%0.25739%0.39SS..Hα-helixtrans-65-39.2-179-67.3-171.1151.400112.2L71 G79L71-E75 HydrophobicContact CD1-CG 4.2Å; L71-E75 PolarHBondContact O-N 3.16Å; E75-G79 WeakPolarHBondContact O-CA 3.24Å; E75-G79 PolarHBondContact O-N 2.8Å
76L94.8Very high94.4Very high148 Ų14878.4 Ų78.478%0.77537%0.374SS*.Hα-helixtrans-65.1-37.2174.6-73.3171.6000112.7N72 Y74N72-L76 WeakPolarHBondContact O-CB 3.47Å; N72-L76 VanDerWaalsContact O-CG 3.23Å; N72-L76 WeakPolarHBondContact O-CG 3.36Å; N72-L76 PolarHBondContact O-N 2.97Å; Y74-L76 PolarHBondContact O-N 2.95Å
77K95.4Very high94.4Very high177 Ų17773.5 Ų73.577%0.7736%0.356SS*.Hα-helixtrans-76.7-41.8-178.3-174.7179.5178.3-175.60112.6L73 Y74L73-K77 VanDerWaalsContact O-CB 3.29Å; L73-K77 WeakPolarHBondContact O-CB 3.49Å; L73-K77 PolarHBondContact O-N 2.81Å; Y74-K77 PolarHBondContact O-N 2.96Å
78E93.5Very high94.4Very high88 Ų8874.7 Ų74.741%0.41136%0.361SS..Hα-helixtrans-92.4-16.4-174-66.9-86.7140.300113Y74 R80Y74-E78 HydrophobicContact CD2-CG 4.2Å; Y74-E78 HydrophobicContact CE1-CB 4.41Å; Y74-E78 HydrophobicContact CE1-CG 4.18Å; Y74-E78 HydrophobicContact CE2-CG 3.83Å; Y74-E78 WeakPolarHBondContact O-CB 3.42Å; Y74-E78 PolarHBondContact O-N 2.83Å; E78-R80 HydrophobicContact CB-CG 3.91Å; E78-R80 PolarHBondContact O-N 2.91Å; E78-R80 IonicContact OE2-CZ 2.9Å; E78-R80 IonicContact OE2-NE 3.05Å; E78-R80 PolarHBondContact OE2-NE 2.86Å; E78-R80 IonicContact OE2-NH2 3.19Å; E78-R80 PolarHBondContact OE2-NH2 2.98Å
79G91.6Very high94.5Very high71 Ų7173.8 Ų73.873%0.73237%0.365SS*.SBendtrans64.823.1-17900000114E75E75-G79 WeakPolarHBondContact O-CA 3.24Å; E75-G79 PolarHBondContact O-N 2.8Å
80R90.6Very high94.4Very high129 Ų12968.5 Ų68.549%0.48734%0.343SS..SBendtrans-142.8151.9-179.763.1-179.7172166.5-3.7111.2Y74 E78Y74-R80 PolarHBondContact OH-NH2 2.87Å; E78-R80 HydrophobicContact CB-CG 3.91Å; E78-R80 PolarHBondContact O-N 2.91Å; E78-R80 IonicContact OE2-CZ 2.9Å; E78-R80 IonicContact OE2-NE 3.05Å; E78-R80 PolarHBondContact OE2-NE 2.86Å; E78-R80 IonicContact OE2-NH2 3.19Å; E78-R80 PolarHBondContact OE2-NH2 2.98Å
81Q91.4Very high94.4Very high91 Ų9165 Ų6543%0.42533%0.33SS..PPolyproline II helixtrans-64.3143.4169.9-68.9-173.2-1.100110.8D47 P115D47-Q81 PolarHBondContact OD2-NE2 3.21Å; Q81-P115 HydrophobicContact CB-CB 4.39Å
82I93.1Very high94.4Very high8 Ų866.3 Ų66.34%0.04134%0.339CS..PPolyproline II helixtrans-68.8142.8179.7-161.5161.8000111.1L49 L71 Y74 T86 F87 M90L49-I82 HydrophobicContact CD2-CG2 3.72Å; L71-I82 HydrophobicContact CD1-CB 3.86Å; L71-I82 HydrophobicContact CD1-CD1 3.96Å; L71-I82 HydrophobicContact CD1-CG2 3.47Å; L71-I82 VanDerWaalsContact CD1-CG2 3.47Å; Y74-I82 HydrophobicContact CD1-CB 4.18Å; Y74-I82 HydrophobicContact CD1-CD1 4Å; Y74-I82 HydrophobicContact CD1-CG1 4.12Å; Y74-I82 HydrophobicContact CE1-CB 4.08Å; Y74-I82 HydrophobicContact CE1-CD1 4.14Å; Y74-I82 HydrophobicContact CE1-CG1 3.86Å; Y74-I82 HydrophobicContact CG-CD1 4.43Å; I82-T86 HydrophobicContact CD1-CG2 4.25Å; I82-T86 HydrophobicContact CG1-CG2 4.12Å; I82-F87 HydrophobicContact CD1-CB 3.95Å; I82-F87 HydrophobicContact CD1-CD2 4.16Å; I82-F87 HydrophobicContact CG1-CB 4.16Å; I82-F87 HydrophobicContact CG2-CB 4.2Å; I82-M90 HydrophobicContact CD1-CE 3.56Å; I82-M90 HydrophobicContact CD1-SD 4.43Å
83K94.7Very high94.4Very high83 Ų8367.5 Ų67.536%0.36135%0.345SS..PPolyproline II helixtrans-80.4145.3170.5-65.7-172174.4-165.30110.5K85 T86 F87K83-K85 VanDerWaalsContact C-N 3.3Å; K83-K85 PolarHBondContact O-N 2.78Å; K83-T86 WeakPolarHBondContact O-CB 3.3Å; K83-T86 PolarHBondContact O-N 2.87Å; K83-F87 PolarHBondContact O-N 2.96Å
84P95.2Very high94.3Very high4 Ų463.3 Ų63.33%0.02632%0.323CS..Hα-helixtrans-53.6-42.9178.9-26.633.2000113.7L49 T86 F87 M88 F121L49-P84 HydrophobicContact CD1-CB 4.08Å; L49-P84 HydrophobicContact CD1-CG 4.22Å; P84-T86 PolarHBondContact O-N 3.47Å; P84-F87 PolarHBondContact O-N 3.36Å; P84-M88 PolarHBondContact O-N 3.42Å; P84-F121 HydrophobicContact CB-CB 3.83Å; P84-F121 HydrophobicContact CB-CD1 3.35Å; P84-F121 HydrophobicContact CB-CE1 4.05Å; P84-F121 HydrophobicContact CB-CG 3.68Å; P84-F121 HydrophobicContact CG-CB 4.29Å
85K94.7Very high94.2Very high137 Ų13761 Ų6160%0.59631%0.314SS*.Hα-helixtrans-61.3-39.6175.7-69.2-179.5178.7176.50113K83 S89 F121K83-K85 VanDerWaalsContact C-N 3.3Å; K83-K85 PolarHBondContact O-N 2.78Å; K85-S89 PolarHBondContact O-N 2.75Å; K85-S89 PolarHBondContact O-OG 2.92Å; K85-F121 HydrophobicContact CG-CD2 4.04Å; K85-F121 HydrophobicContact CG-CE2 3.62Å; K85-F121 HydrophobicContact CG-CZ 4.1Å
86T95.3Very high94.1Very high52 Ų5265.6 Ų65.632%0.31933%0.33SS..Hα-helixtrans-70.6-38.1176.9-53.20000111.1I82 K83 P84 S89 M90I82-T86 HydrophobicContact CD1-CG2 4.25Å; I82-T86 HydrophobicContact CG1-CG2 4.12Å; K83-T86 WeakPolarHBondContact O-CB 3.3Å; K83-T86 PolarHBondContact O-N 2.87Å; P84-T86 PolarHBondContact O-N 3.47Å; T86-S89 PolarHBondContact O-N 3.44Å; T86-M90 PolarHBondContact O-N 3.23Å
87F95.9Very high93.7Very high0 Ų064.1 Ų64.10%032%0.319CS..Hα-helixtrans-63.6-42.8175.2-176.8-110.1000111.5M45 L49 I51 L67 I82 K83 P84 S89 M90 V91 I110M45-F87 HydrophobicContact CB-CE1 4.28Å; M45-F87 HydrophobicContact CB-CE2 4.09Å; M45-F87 HydrophobicContact CB-CZ 3.85Å; M45-F87 HydrophobicContact CG-CE1 4.2Å; M45-F87 HydrophobicContact CG-CE2 4.09Å; M45-F87 HydrophobicContact CG-CZ 3.55Å; M45-F87 HydrophobicContact SD-CE2 4.39Å; M45-F87 HydrophobicContact SD-CZ 4.22Å; L49-F87 HydrophobicContact CD1-CD1 4.45Å; L49-F87 HydrophobicContact CD2-CB 3.87Å; L49-F87 HydrophobicContact CD2-CD1 3.84Å; L49-F87 HydrophobicContact CD2-CD2 4.4Å; L49-F87 HydrophobicContact CD2-CG 3.77Å; L49-F87 HydrophobicContact CG-CD1 4.32Å; I51-F87 HydrophobicContact CB-CE1 4.11Å; I51-F87 HydrophobicContact CB-CZ 4.38Å; I51-F87 HydrophobicContact CD1-CE1 3.98Å; I51-F87 HydrophobicContact CD1-CZ 4.02Å; I51-F87 HydrophobicContact CG1-CE1 4.43Å; L67-F87 HydrophobicContact CD1-CZ 4.47Å; I82-F87 HydrophobicContact CD1-CB 3.95Å; I82-F87 HydrophobicContact CD1-CD2 4.16Å; I82-F87 HydrophobicContact CG1-CB 4.16Å; I82-F87 HydrophobicContact CG2-CB 4.2Å; K83-F87 PolarHBondContact O-N 2.96Å; P84-F87 PolarHBondContact O-N 3.36Å; F87-S89 PolarHBondContact O-N 2.99Å; F87-M90 WeakPolarHBondContact O-CA 3.38Å; F87-M90 WeakPolarHBondContact O-CB 3.47Å; F87-M90 PolarHBondContact O-N 2.91Å; F87-V91 HydrophobicContact CD1-CG2 4.26Å; F87-V91 HydrophobicContact CE1-CG2 3.85Å; F87-V91 HydrophobicContact CE2-CG2 4.23Å; F87-V91 HydrophobicContact CZ-CG2 3.82Å; F87-V91 WeakPolarHBondContact O-CG2 3.18Å; F87-V91 PolarHBondContact O-N 3.01Å; F87-I110 HydrophobicContact CD1-CD1 3.78Å; F87-I110 HydrophobicContact CD1-CG1 4.25Å; F87-I110 HydrophobicContact CD1-CG2 3.87Å; F87-I110 HydrophobicContact CE1-CD1 3.94Å; F87-I110 HydrophobicContact CE1-CG1 4.09Å; F87-I110 HydrophobicContact CE1-CG2 4.24Å
88M96.5Very high92.9Very high25 Ų2561.4 Ų61.412%0.12330%0.304CS..Hα-helixtrans-53.8-48.7171.7175.9-165.776.300112.2P84 M90 V91 S92 I110 F121 C123 P131 V133P84-M88 PolarHBondContact O-N 3.42Å; M88-M90 VanDerWaalsContact C-N 3.27Å; M88-M90 PolarHBondContact O-N 3.36Å; M88-V91 PolarHBondContact O-N 2.96Å; M88-S92 WeakPolarHBondContact O-CB 3.29Å; M88-S92 PolarHBondContact O-N 2.97Å; M88-I110 HydrophobicContact CB-CD1 4.1Å; M88-F121 HydrophobicContact CB-CE1 4.42Å; M88-F121 HydrophobicContact CB-CZ 4.41Å; M88-F121 HydrophobicContact SD-CZ 3.92Å; M88-C123 VanDerWaalsContact CG-SG 3.59Å; M88-C123 HydrophobicContact SD-CB 4.19Å; M88-P131 HydrophobicContact CE-CB 4.18Å; M88-P131 HydrophobicContact CG-CB 3.93Å; M88-P131 HydrophobicContact SD-CB 3.61Å; M88-V133 HydrophobicContact CE-CG2 4.46Å; M88-V133 HydrophobicContact SD-CG2 3.6Å
89S96.2Very high91.6Very high59 Ų5958.5 Ų58.541%0.41329%0.293SS..Hα-helixtrans-64.7-30.6177.4-57.60000113.2K85 T86 F87 N93K85-S89 PolarHBondContact O-N 2.75Å; K85-S89 PolarHBondContact O-OG 2.92Å; T86-S89 PolarHBondContact O-N 3.44Å; F87-S89 PolarHBondContact O-N 2.99Å; S89-N93 WeakPolarHBondContact O-CB 3.23Å; S89-N93 PolarHBondContact O-N 2.9Å; S89-N93 VanDerWaalsContact O-N 3.09Å; S89-N93 PolarHBondContact O-ND2 3.22Å
90M95.3Very high90.3Very high29 Ų2964 Ų6414%0.14329%0.292CS..Hα-helixtrans-68.2-42.3173.9-175-174.3-67.900111.5R70 Y74 I82 T86 F87 M88 L94R70-M90 HydrophobicContact CB-SD 3.8Å; Y74-M90 HydrophobicContact CD2-CE 4.17Å; Y74-M90 HydrophobicContact CG-CE 4.05Å; I82-M90 HydrophobicContact CD1-CE 3.56Å; I82-M90 HydrophobicContact CD1-SD 4.43Å; T86-M90 PolarHBondContact O-N 3.23Å; F87-M90 WeakPolarHBondContact O-CA 3.38Å; F87-M90 WeakPolarHBondContact O-CB 3.47Å; F87-M90 PolarHBondContact O-N 2.91Å; M88-M90 VanDerWaalsContact C-N 3.27Å; M88-M90 PolarHBondContact O-N 3.36Å; M90-L94 PolarHBondContact O-N 3.09Å; M90-L94 VanDerWaalsContact O-N 3.1Å
91V95.4Very high89.4Confident0 Ų067.2 Ų67.20%031%0.31CS..Hα-helixtrans-65.7-47.9176.2179.60000110.4I51 L67 F87 M88 N93 L94 L95 P108 I110 L125I51-V91 HydrophobicContact CD1-CG2 4.03Å; L67-V91 HydrophobicContact CD1-CG2 3.93Å; L67-V91 HydrophobicContact CD2-CB 4.4Å; L67-V91 HydrophobicContact CD2-CG2 3.73Å; F87-V91 HydrophobicContact CD1-CG2 4.26Å; F87-V91 HydrophobicContact CE1-CG2 3.85Å; F87-V91 HydrophobicContact CE2-CG2 4.23Å; F87-V91 HydrophobicContact CZ-CG2 3.82Å; F87-V91 WeakPolarHBondContact O-CG2 3.18Å; F87-V91 PolarHBondContact O-N 3.01Å; M88-V91 PolarHBondContact O-N 2.96Å; V91-N93 VanDerWaalsContact C-N 3.33Å; V91-N93 PolarHBondContact O-N 3.31Å; V91-L94 WeakPolarHBondContact O-CB 3.13Å; V91-L94 PolarHBondContact O-N 3.41Å; V91-L94 VanDerWaalsContact O-N 3.11Å; V91-L95 HydrophobicContact CG1-CD1 4.14Å; V91-L95 HydrophobicContact CG1-CG 4.4Å; V91-L95 WeakPolarHBondContact O-CG 3.29Å; V91-L95 PolarHBondContact O-N 3.36Å; V91-P108 HydrophobicContact CG1-CB 4.26Å; V91-P108 HydrophobicContact CG1-CG 4.03Å; V91-I110 HydrophobicContact CB-CD1 4.34Å; V91-I110 HydrophobicContact CG2-CD1 3.96Å; V91-L125 HydrophobicContact CB-CD2 4.27Å; V91-L125 HydrophobicContact CG1-CD1 4.16Å; V91-L125 HydrophobicContact CG1-CD2 4.04Å
92S94.9Very high89Confident27 Ų2764.7 Ų64.719%0.18931%0.308CS..Hα-helixtrans-53.8-48.4176.6172.90000111.8M88 L94 L95 Y96 G129M88-S92 WeakPolarHBondContact O-CB 3.29Å; M88-S92 PolarHBondContact O-N 2.97Å; S92-L94 PolarHBondContact O-N 2.84Å; S92-L95 PolarHBondContact O-N 2.69Å; S92-Y96 WeakPolarHBondContact O-CB 3.1Å; S92-Y96 PolarHBondContact O-N 3.25Å; S92-G129 VanDerWaalsContact CB-O 3.31Å; S92-G129 WeakPolarHBondContact CB-O 3.4Å; S92-G129 PolarHBondContact OG-O 3.34Å
93N94.2Very high88.9Confident96 Ų9665.6 Ų65.651%0.51332%0.315SS..Hα-helixtrans-61.3-43.9176.3-86.5-53.8000112.8S89 V91 L95 Y96 E97S89-N93 WeakPolarHBondContact O-CB 3.23Å; S89-N93 PolarHBondContact O-N 2.9Å; S89-N93 VanDerWaalsContact O-N 3.09Å; S89-N93 PolarHBondContact O-ND2 3.22Å; V91-N93 VanDerWaalsContact C-N 3.33Å; V91-N93 PolarHBondContact O-N 3.31Å; N93-L95 VanDerWaalsContact C-N 3.32Å; N93-L95 PolarHBondContact O-N 2.84Å; N93-Y96 PolarHBondContact O-N 2.75Å; N93-E97 VanDerWaalsContact O-CG 3.24Å; N93-E97 WeakPolarHBondContact O-CG 3.41Å; N93-E97 PolarHBondContact O-N 3.49Å
94L93.4Very high88.8Confident2 Ų262 Ų621%0.0130%0.299CS..Hα-helixtrans-59.6-42.6179-179.579.7000111.9V63 R66 L67 M90 V91 S92V63-L94 HydrophobicContact CG1-CD2 3.78Å; R66-L94 HydrophobicContact CB-CD1 4.41Å; R66-L94 HydrophobicContact CB-CD2 4.46Å; L67-L94 HydrophobicContact CD1-CD2 4.48Å; L67-L94 HydrophobicContact CD2-CB 4.46Å; L67-L94 HydrophobicContact CD2-CD2 3.6Å; L67-L94 HydrophobicContact CG-CD2 3.68Å; M90-L94 PolarHBondContact O-N 3.09Å; M90-L94 VanDerWaalsContact O-N 3.1Å; V91-L94 WeakPolarHBondContact O-CB 3.13Å; V91-L94 PolarHBondContact O-N 3.41Å; V91-L94 VanDerWaalsContact O-N 3.11Å; S92-L94 PolarHBondContact O-N 2.84Å
95L92.4Very high88.8Confident0 Ų065.6 Ų65.60%031%0.312CS..Hα-helixtrans-70.5-43.9179.2-62.1178.9000110.9V91 S92 N93 E97 R98 S99 Y104 I106 P108 L125 D126V91-L95 HydrophobicContact CG1-CD1 4.14Å; V91-L95 HydrophobicContact CG1-CG 4.4Å; V91-L95 WeakPolarHBondContact O-CG 3.29Å; V91-L95 PolarHBondContact O-N 3.36Å; S92-L95 PolarHBondContact O-N 2.69Å; N93-L95 VanDerWaalsContact C-N 3.32Å; N93-L95 PolarHBondContact O-N 2.84Å; L95-E97 VanDerWaalsContact C-N 3.31Å; L95-E97 PolarHBondContact O-N 3.4Å; L95-R98 PolarHBondContact O-N 3.11Å; L95-S99 PolarHBondContact O-N 3.47Å; L95-S99 VanDerWaalsContact O-N 3.14Å; L95-Y104 HydrophobicContact CD2-CD2 4.09Å; L95-I106 HydrophobicContact CD2-CD1 4.18Å; L95-I106 HydrophobicContact CD2-CG1 4.26Å; L95-P108 HydrophobicContact CD1-CG 3.96Å; L95-L125 HydrophobicContact CD1-CB 4.25Å; L95-D126 WeakPolarHBondContact CD1-O 3.3Å
96Y91.2Very high88.8Confident152 Ų15259 Ų5960%0.59628%0.284SS*.Hα-helixtrans-66.1-32.8-177.7-163.2-103.8000112.8S92 N93 R98 S99 I128S92-Y96 WeakPolarHBondContact O-CB 3.1Å; S92-Y96 PolarHBondContact O-N 3.25Å; N93-Y96 PolarHBondContact O-N 2.75Å; Y96-R98 PolarHBondContact O-N 3.22Å; Y96-R98 VanDerWaalsContact O-N 3.09Å; Y96-S99 WeakPolarHBondContact CD2-OG 3.21Å; Y96-S99 WeakPolarHBondContact O-CB 3.42Å; Y96-S99 PolarHBondContact O-N 2.84Å; Y96-S99 VanDerWaalsContact O-N 3.14Å; Y96-S99 PolarHBondContact O-OG 3.18Å; Y96-I128 WeakPolarHBondContact CA-O 3.46Å; Y96-I128 WeakPolarHBondContact CD2-O 3.49Å
97E87.3Confident88.8Confident117 Ų11759.4 Ų59.455%0.54728%0.282SS..Hα-helixtrans-52.4-31.4174.6-82.7169.5-146.200113.4R70 N93 L95R70-E97 IonicContact CZ-OE1 3.35Å; R70-E97 IonicContact CZ-OE2 3.66Å; R70-E97 IonicContact NH1-OE1 2.75Å; R70-E97 PolarHBondContact NH1-OE1 2.86Å; R70-E97 IonicContact NH1-OE2 3.15Å; R70-E97 VanDerWaalsContact NH2-CD 3.3Å; R70-E97 IonicContact NH2-OE1 3.04Å; R70-E97 PolarHBondContact NH2-OE1 3.02Å; R70-E97 IonicContact NH2-OE2 2.71Å; R70-E97 PolarHBondContact NH2-OE2 3.38Å; N93-E97 VanDerWaalsContact O-CG 3.24Å; N93-E97 WeakPolarHBondContact O-CG 3.41Å; N93-E97 PolarHBondContact O-N 3.49Å; L95-E97 VanDerWaalsContact C-N 3.31Å; L95-E97 PolarHBondContact O-N 3.4Å
98R77.8Confident88.9Confident120 Ų12059.4 Ų59.445%0.45328%0.282SS..Hα-helixtrans-107.8-10.1179-71.6-155.3166.8-168.3-7.8114.7L95 Y96 R100 F101 G102 Y104L95-R98 PolarHBondContact O-N 3.11Å; Y96-R98 PolarHBondContact O-N 3.22Å; Y96-R98 VanDerWaalsContact O-N 3.09Å; R98-R100 PolarHBondContact O-N 3.3Å; R98-F101 PolarHBondContact O-N 3.49Å; R98-G102 CarbonylContact O-C 3.26Å; R98-G102 VanDerWaalsContact O-C 3.26Å; R98-G102 PolarHBondContact O-N 2.98Å; R98-G102 VanDerWaalsContact O-N 3.11Å; R98-Y104 HydrophobicContact CB-CE2 4.35Å; R98-Y104 HydrophobicContact CG-CE2 4.16Å
99S66.1Low88.9Confident26 Ų2658.2 Ų58.218%0.18228%0.276CS..Hα-helixtrans-52.9-32.6-175.568.10000114.5L95 Y96L95-S99 PolarHBondContact O-N 3.47Å; L95-S99 VanDerWaalsContact O-N 3.14Å; Y96-S99 WeakPolarHBondContact CD2-OG 3.21Å; Y96-S99 WeakPolarHBondContact O-CB 3.42Å; Y96-S99 PolarHBondContact O-N 2.84Å; Y96-S99 VanDerWaalsContact O-N 3.14Å; Y96-S99 PolarHBondContact O-OG 3.18Å
100R65Low89Confident188 Ų18855.4 Ų55.471%0.70926%0.256SS*.THydrogen-bonded Turntrans-73-29.7-172.9-170.370.5-173.490.7-5.4114.8R98R98-R100 PolarHBondContact O-N 3.3Å
101F72Confident89.1Confident195 Ų19554 Ų5486%0.85525%0.25SC*.THydrogen-bonded Turntrans-137.14.6-171-62.6-68.6000115.1R98R98-F101 PolarHBondContact O-N 3.49Å
102G82.7Confident89.2Confident38 Ų3854 Ų5439%0.39225%0.25SC..SBendtrans162.781.4179.100000111.1R98R98-G102 CarbonylContact O-C 3.26Å; R98-G102 VanDerWaalsContact O-C 3.26Å; R98-G102 PolarHBondContact O-N 2.98Å; R98-G102 VanDerWaalsContact O-N 3.11Å
103P90.5Very high89.3Confident28 Ų2852.9 Ų52.918%0.18224%0.242CC..  trans-64.1160-177.528.7-35.3000111.5L127P103-L127 HydrophobicContact CB-CD1 3.58Å; P103-L127 HydrophobicContact CG-CD1 3.73Å
104Y93.3Very high89.3Confident6 Ų649.4 Ų49.42%0.02422%0.223CC..  trans-76.1129.8163.2-68.8-67.6000108.5D59 T62 V63 R66 L95 R98 I106D59-Y104 HydrophobicContact CB-CD1 4.13Å; T62-Y104 HydrophobicContact CG2-CE1 4.12Å; V63-Y104 HydrophobicContact CG2-CD1 3.74Å; V63-Y104 HydrophobicContact CG2-CD2 3.78Å; V63-Y104 HydrophobicContact CG2-CE1 4.03Å; V63-Y104 HydrophobicContact CG2-CE2 4.07Å; V63-Y104 HydrophobicContact CG2-CG 3.59Å; R66-Y104 VanDerWaalsContact CZ-OH 3.29Å; R66-Y104 PolarHBondContact NH1-OH 3.08Å; L95-Y104 HydrophobicContact CD2-CD2 4.09Å; R98-Y104 HydrophobicContact CB-CE2 4.35Å; R98-Y104 HydrophobicContact CG-CE2 4.16Å; Y104-I106 PolarHBondContact O-N 2.94Å
105Y94.4Very high89.2Confident80 Ų8051.1 Ų51.131%0.31423%0.234SC..SBendtrans-83.463.8179.6-66.9-79.3000110.4I3 M4 L56 D59I3-Y105 HydrophobicContact CB-CD1 3.98Å; I3-Y105 HydrophobicContact CB-CE1 4.13Å; I3-Y105 HydrophobicContact CB-CG 4.28Å; I3-Y105 HydrophobicContact CD1-CD1 4.41Å; I3-Y105 HydrophobicContact CD1-CE1 3.74Å; I3-Y105 HydrophobicContact CD1-CE2 4Å; I3-Y105 VanDerWaalsContact CD1-CZ 3.5Å; I3-Y105 HydrophobicContact CG2-CD1 3.88Å; I3-Y105 HydrophobicContact CG2-CD2 3.85Å; I3-Y105 HydrophobicContact CG2-CE1 4.28Å; I3-Y105 HydrophobicContact CG2-CE2 4.25Å; I3-Y105 HydrophobicContact CG2-CG 3.64Å; M4-Y105 HydrophobicContact SD-CD1 4.39Å; L56-Y105 HydrophobicContact CD2-CD2 4.26Å; L56-Y105 PolarHBondContact N-O 3.18Å; D59-Y105 PolarHBondContact OD2-N 2.98Å
106I94.9Very high89.1Confident0 Ų058.9 Ų58.90%027%0.268CS..EExtended strand (participates in β ladder)trans-140.8154.117659.7172.8000110.6L53 A54 D59 V60 V63 L95 Y104 P108 L127L53-I106 HydrophobicContact CD2-CD1 4.14Å; A54-I106 WeakPolarHBondContact O-CA 3.39Å; D59-I106 HydrophobicContact CB-CG2 3.7Å; V60-I106 HydrophobicContact CG2-CG2 3.8Å; V63-I106 HydrophobicContact CB-CD1 3.5Å; V63-I106 VanDerWaalsContact CB-CD1 3.5Å; V63-I106 HydrophobicContact CG1-CD1 3.54Å; V63-I106 HydrophobicContact CG2-CD1 3.51Å; L95-I106 HydrophobicContact CD2-CD1 4.18Å; L95-I106 HydrophobicContact CD2-CG1 4.26Å; Y104-I106 PolarHBondContact O-N 2.94Å; I106-P108 HydrophobicContact CD1-CG 4.19Å; I106-P108 HydrophobicContact CG1-CG 4.42Å; I106-L127 WeakPolarHBondContact O-CA 3.26Å
107E95.9Very high89.1Confident59 Ų5955.3 Ų55.328%0.27626%0.262SS..EExtended strand (participates in β ladder)trans-125.497.1173-75.7173.9176.600108M4 A54 L125 S140M4-E107 HydrophobicContact CE-CB 4.33Å; M4-E107 HydrophobicContact CE-CG 3.81Å; A54-E107 PolarHBondContact O-N 2.85Å; E107-L125 WeakPolarHBondContact CA-O 3.25Å; E107-S140 WeakPolarHBondContact CB-OG 3.41Å; E107-S140 WeakPolarHBondContact O-CB 3.41Å; E107-S140 PolarHBondContact O-OG 3.06Å
108P96.9Very high89.4Confident0 Ų052.2 Ų52.20%025%0.247CC..EExtended strand (participates in β ladder)trans-70.3146.5-177.2-22.134.3000113.6I51 G52 L53 V91 L95 I106 S124 L125I51-P108 HydrophobicContact CD1-CB 4.09Å; I51-P108 HydrophobicContact CG1-CB 4.28Å; G52-P108 CarbonylContact O-C 3.54Å; G52-P108 WeakPolarHBondContact O-CA 3.12Å; L53-P108 HydrophobicContact CD2-CB 3.6Å; L53-P108 HydrophobicContact CD2-CG 3.73Å; V91-P108 HydrophobicContact CG1-CB 4.26Å; V91-P108 HydrophobicContact CG1-CG 4.03Å; L95-P108 HydrophobicContact CD1-CG 3.96Å; I106-P108 HydrophobicContact CD1-CG 4.19Å; I106-P108 HydrophobicContact CG1-CG 4.42Å; P108-S124 CarbonylContact O-C 3.59Å; P108-S124 VanDerWaalsContact O-CA 3.25Å; P108-S124 WeakPolarHBondContact O-CA 3.26Å; P108-L125 HydrophobicContact CB-CD1 4.32Å; P108-L125 WeakPolarHBondContact CD-O 3.44Å; P108-L125 PolarHBondContact O-N 3.07Å
109V97.9Very high90.2Very high0 Ų052.1 Ų52.10%025%0.252CS..EExtended strand (participates in β ladder)trans-121.5126.4167.9173.60000108V11 A13 I22 I51 G52 C123 V138 S140V11-V109 HydrophobicContact CB-CG2 4.47Å; V11-V109 HydrophobicContact CG1-CB 3.73Å; V11-V109 HydrophobicContact CG1-CG1 4.25Å; V11-V109 HydrophobicContact CG1-CG2 3.94Å; A13-V109 HydrophobicContact CB-CG1 3.54Å; I22-V109 HydrophobicContact CD1-CG1 4.44Å; I51-V109 CarbonylContact C-O 3.52Å; I51-V109 WeakPolarHBondContact CA-O 3.37Å; G52-V109 PolarHBondContact N-O 2.8Å; G52-V109 PolarHBondContact O-N 2.7Å; V109-C123 CarbonylContact C-O 3.53Å; V109-C123 WeakPolarHBondContact CA-O 3.08Å; V109-V138 HydrophobicContact CG1-CG2 3.57Å; V109-S140 VanDerWaalsContact CG2-CB 3.49Å
110I97.9Very high91.6Very high0 Ų051.6 Ų51.60%025%0.248CC..EExtended strand (participates in β ladder)trans-110131.5179.3-57.8173.5000107.5L49 I51 F87 M88 V91 I122 C123 L125L49-I110 HydrophobicContact CD1-CG2 3.77Å; I51-I110 HydrophobicContact CD1-CG1 4.32Å; I51-I110 HydrophobicContact CG1-CG1 4.11Å; F87-I110 HydrophobicContact CD1-CD1 3.78Å; F87-I110 HydrophobicContact CD1-CG1 4.25Å; F87-I110 HydrophobicContact CD1-CG2 3.87Å; F87-I110 HydrophobicContact CE1-CD1 3.94Å; F87-I110 HydrophobicContact CE1-CG1 4.09Å; F87-I110 HydrophobicContact CE1-CG2 4.24Å; M88-I110 HydrophobicContact CB-CD1 4.1Å; V91-I110 HydrophobicContact CB-CD1 4.34Å; V91-I110 HydrophobicContact CG2-CD1 3.96Å; I110-I122 VanDerWaalsContact O-CA 3.29Å; I110-I122 WeakPolarHBondContact O-CA 3.49Å; I110-C123 PolarHBondContact N-O 3.19Å; I110-C123 PolarHBondContact O-N 3.06Å; I110-L125 HydrophobicContact CD1-CD1 3.75Å; I110-L125 HydrophobicContact CG1-CD1 4.28Å
111A97.8Very high93.1Very high0 Ų043.5 Ų43.50%022%0.218CC..EExtended strand (participates in β ladder)trans-135.7129.1174.200000109.4A13 V20 I22 Y50 I122A13-A111 HydrophobicContact CB-CB 3.85Å; V20-A111 HydrophobicContact CG2-CB 4.4Å; I22-A111 HydrophobicContact CB-CB 3.93Å; I22-A111 HydrophobicContact CD1-CB 4.14Å; I22-A111 HydrophobicContact CG1-CB 4.48Å; I22-A111 HydrophobicContact CG2-CB 4.45Å; Y50-A111 PolarHBondContact N-O 2.9Å; Y50-A111 PolarHBondContact O-N 2.81Å; A111-I122 HydrophobicContact CB-CG2 4.27Å
112G96.5Very high94.4Very high0 Ų034.3 Ų34.30%018%0.177CC..EExtended strand (participates in β ladder)trans-172.6177.7174.600000114.1R48 F121R48-G112 CarbonylContact O-C 3.59Å; R48-G112 WeakPolarHBondContact O-CA 3.45Å; G112-F121 PolarHBondContact N-O 2.86Å; G112-F121 PolarHBondContact O-N 3.31Å
113L96.2Very high95.1Very high4 Ų432.5 Ų32.52%0.02116%0.159CC..EExtended strand (participates in β ladder)trans-108.2143.9174.1-56-178.3000109.5V20 R48 E119 P120 I191V20-L113 HydrophobicContact CG1-CD2 4.09Å; V20-L113 HydrophobicContact CG2-CD2 4.15Å; R48-L113 HydrophobicContact CB-CB 4.31Å; R48-L113 PolarHBondContact O-N 2.86Å; L113-E119 WeakPolarHBondContact CA-O 3.4Å; L113-P120 HydrophobicContact CD2-CB 3.79Å; L113-I191 HydrophobicContact CD1-CG2 4.18Å; L113-I191 HydrophobicContact CG-CG2 4.12Å
114D94.8Very high95.4Very high22 Ų2231.8 Ų31.812%0.11815%0.154CC..  trans-61.2132.6170.7-175-81000110K116 T117 F118 E119D114-K116 PolarHBondContact O-N 3.49Å; D114-K116 VanDerWaalsContact O-N 3.12Å; D114-K116 WeakPolarHBondContact OD1-CA 3.14Å; D114-K116 WeakPolarHBondContact OD1-CB 3.37Å; D114-K116 PolarHBondContact OD1-N 3.5Å; D114-T117 VanDerWaalsContact CB-OG1 3.29Å; D114-T117 WeakPolarHBondContact CB-OG1 3.32Å; D114-T117 PolarHBondContact OD1-N 3.04Å; D114-T117 PolarHBondContact OD1-OG1 2.95Å; D114-F118 WeakPolarHBondContact O-CA 3.2Å; D114-F118 PolarHBondContact O-N 3.48Å; D114-E119 PolarHBondContact N-O 3.19Å
115P91.6Very high95.5Very high39 Ų3931.7 Ų31.725%0.25315%0.154SC..THydrogen-bonded Turntrans-66.4-16-175.125.1-34.7000113.9Q81Q81-P115 HydrophobicContact CB-CB 4.39Å
116K90.3Very high95.5Very high162 Ų16230.6 Ų30.670%0.70415%0.154SC*.THydrogen-bonded Turntrans-107.2-49.2179.4-63.5-170.9176.8-167.20112.7D114D114-K116 PolarHBondContact O-N 3.49Å; D114-K116 VanDerWaalsContact O-N 3.12Å; D114-K116 WeakPolarHBondContact OD1-CA 3.14Å; D114-K116 WeakPolarHBondContact OD1-CB 3.37Å; D114-K116 PolarHBondContact OD1-N 3.5Å
117T92Very high95.3Very high78 Ų7833.1 Ų33.148%0.47917%0.167SC..THydrogen-bonded Turntrans-91.2-17.6-175.159.70000113D114 E119D114-T117 VanDerWaalsContact CB-OG1 3.29Å; D114-T117 WeakPolarHBondContact CB-OG1 3.32Å; D114-T117 PolarHBondContact OD1-N 3.04Å; D114-T117 PolarHBondContact OD1-OG1 2.95Å; T117-E119 PolarHBondContact O-N 2.93Å; T117-E119 WeakPolarHBondContact OG1-CG 3.41Å; T117-E119 PolarHBondContact OG1-N 3.49Å
118F92.6Very high95.1Very high51 Ų5133.7 Ų33.722%0.22417%0.171CC..  trans59.220.4-171-48.7-63.4000113.8D114 K193D114-F118 WeakPolarHBondContact O-CA 3.2Å; D114-F118 PolarHBondContact O-N 3.48Å; F118-K193 HydrophobicContact CB-CG 4.49Å; F118-K193 HydrophobicContact CD1-CG 4.07Å; F118-K193 HydrophobicContact CD2-CD 3.81Å; F118-K193 HydrophobicContact CD2-CG 4.07Å; F118-K193 HydrophobicContact CE1-CG 4.37Å; F118-K193 HydrophobicContact CE2-CD 4.17Å; F118-K193 VanDerWaalsContact CE2-CE 3.43Å; F118-K193 HydrophobicContact CE2-CG 4.33Å; F118-K193 HydrophobicContact CG-CD 4.07Å; F118-K193 HydrophobicContact CG-CG 3.9Å; F118-K193 HydrophobicContact CZ-CG 4.45Å
119E94.6Very high94.9Very high119 Ų11933.8 Ų33.856%0.55617%0.173SC*.  trans-65.9129.3174-76.7174.1-174.700109.7L113 D114 T117L113-E119 WeakPolarHBondContact CA-O 3.4Å; D114-E119 PolarHBondContact N-O 3.19Å; T117-E119 PolarHBondContact O-N 2.93Å; T117-E119 WeakPolarHBondContact OG1-CG 3.41Å; T117-E119 PolarHBondContact OG1-N 3.49Å
120P96.1Very high94.7Very high15 Ų1537.4 Ų37.410%0.09720%0.197CC..EExtended strand (participates in β ladder)trans-72.8132.3178.926.1-29.6000111.4R15 V20 L113R15-P120 HydrophobicContact CG-CB 3.88Å; R15-P120 HydrophobicContact CG-CG 4.07Å; R15-P120 PolarHBondContact NE-O 3.05Å; R15-P120 VanDerWaalsContact NE-O 3.17Å; R15-P120 PolarHBondContact NH2-O 2.83Å; V20-P120 HydrophobicContact CG1-CB 3.32Å; L113-P120 HydrophobicContact CD2-CB 3.79Å
121F97.1Very high94.6Very high18 Ų1840.1 Ų40.18%0.07922%0.215CC..EExtended strand (participates in β ladder)trans-130.9128.7-177.7-179.1-93.3000110.5P84 K85 M88 G112 C123 V133P84-F121 HydrophobicContact CB-CB 3.83Å; P84-F121 HydrophobicContact CB-CD1 3.35Å; P84-F121 HydrophobicContact CB-CE1 4.05Å; P84-F121 HydrophobicContact CB-CG 3.68Å; P84-F121 HydrophobicContact CG-CB 4.29Å; K85-F121 HydrophobicContact CG-CD2 4.04Å; K85-F121 HydrophobicContact CG-CE2 3.62Å; K85-F121 HydrophobicContact CG-CZ 4.1Å; M88-F121 HydrophobicContact CB-CE1 4.42Å; M88-F121 HydrophobicContact CB-CZ 4.41Å; M88-F121 HydrophobicContact SD-CZ 3.92Å; G112-F121 PolarHBondContact N-O 2.86Å; G112-F121 PolarHBondContact O-N 3.31Å; F121-C123 HydrophobicContact CE1-CB 3.97Å; F121-C123 HydrophobicContact CZ-CB 3.97Å; F121-V133 HydrophobicContact CD2-CG1 4.45Å; F121-V133 HydrophobicContact CE2-CG1 3.78Å; F121-V133 HydrophobicContact CE2-CG2 4.13Å; F121-V133 HydrophobicContact CZ-CG1 4.35Å; F121-V133 HydrophobicContact CZ-CG2 4.03Å
122I97.5Very high94.5Very high1 Ų144.1 Ų44.11%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-129.3144.217158.8169.7000109.7A13 R15 V20 I110 A111 T134 D136 V138A13-I122 HydrophobicContact CB-CG2 4.09Å; R15-I122 HydrophobicContact CB-CD1 4.01Å; R15-I122 HydrophobicContact CB-CG1 4.45Å; V20-I122 HydrophobicContact CG1-CG2 4.22Å; I110-I122 VanDerWaalsContact O-CA 3.29Å; I110-I122 WeakPolarHBondContact O-CA 3.49Å; A111-I122 HydrophobicContact CB-CG2 4.27Å; I122-T134 VanDerWaalsContact CG1-O 3.3Å; I122-T134 WeakPolarHBondContact CG1-O 3.33Å; I122-D136 WeakPolarHBondContact CD1-O 3.24Å; I122-V138 HydrophobicContact CB-CG2 4.19Å; I122-V138 HydrophobicContact CD1-CG1 4.41Å; I122-V138 HydrophobicContact CD1-CG2 4.43Å
123C97.6Very high94.5Very high0 Ų047.3 Ų47.30%025%0.254CS..EExtended strand (participates in β ladder)trans-154.9156.1167.572.60000111.1M88 V109 I110 F121 M132 V133M88-C123 VanDerWaalsContact CG-SG 3.59Å; M88-C123 HydrophobicContact SD-CB 4.19Å; V109-C123 CarbonylContact C-O 3.53Å; V109-C123 WeakPolarHBondContact CA-O 3.08Å; I110-C123 PolarHBondContact N-O 3.19Å; I110-C123 PolarHBondContact O-N 3.06Å; F121-C123 HydrophobicContact CE1-CB 3.97Å; F121-C123 HydrophobicContact CZ-CB 3.97Å; C123-M132 CarbonylContact C-O 3.16Å; C123-M132 WeakPolarHBondContact CA-O 3.42Å; C123-M132 WeakPolarHBondContact CB-O 3.47Å; C123-V133 HydrophobicContact CB-CG2 3.98Å
124S97.2Very high94.4Very high13 Ų1348.5 Ų48.59%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-114.7160.4164.8600000110.4P108 M132P108-S124 CarbonylContact O-C 3.59Å; P108-S124 VanDerWaalsContact O-CA 3.25Å; P108-S124 WeakPolarHBondContact O-CA 3.26Å; S124-M132 PolarHBondContact N-O 3.22Å; S124-M132 PolarHBondContact O-N 3.47Å; S124-M132 WeakPolarHBondContact OG-CE 3.23Å
125L96.4Very high94.4Very high4 Ų452.9 Ų52.92%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-128.4141.9171.1-62.492000109.4V91 L95 E107 P108 I110 C130V91-L125 HydrophobicContact CB-CD2 4.27Å; V91-L125 HydrophobicContact CG1-CD1 4.16Å; V91-L125 HydrophobicContact CG1-CD2 4.04Å; L95-L125 HydrophobicContact CD1-CB 4.25Å; E107-L125 WeakPolarHBondContact CA-O 3.25Å; P108-L125 HydrophobicContact CB-CD1 4.32Å; P108-L125 WeakPolarHBondContact CD-O 3.44Å; P108-L125 PolarHBondContact O-N 3.07Å; I110-L125 HydrophobicContact CD1-CD1 3.75Å; I110-L125 HydrophobicContact CG1-CD1 4.28Å; L125-C130 VanDerWaalsContact CA-O 3.3Å; L125-C130 WeakPolarHBondContact CA-O 3.29Å
126D93.9Very high94.6Very high58 Ų5853.3 Ų53.331%0.3128%0.281SS..  trans-71.7172.5166.874.69.2000111.3L95 I128 G129 C130L95-D126 WeakPolarHBondContact CD1-O 3.3Å; D126-I128 PolarHBondContact O-N 3.47Å; D126-I128 VanDerWaalsContact O-N 3.09Å; D126-I128 WeakPolarHBondContact OD1-CG1 3.22Å; D126-I128 PolarHBondContact OD1-N 3.22Å; D126-I128 WeakPolarHBondContact OD2-CG1 3.2Å; D126-G129 PolarHBondContact O-N 2.82Å; D126-G129 PolarHBondContact OD1-N 2.81Å; D126-C130 HydrophobicContact CB-CB 4.48Å; D126-C130 VanDerWaalsContact CG-CB 3.41Å; D126-C130 PolarHBondContact N-O 3.28Å; D126-C130 WeakPolarHBondContact OD1-CB 3.2Å; D126-C130 PolarHBondContact OD1-N 2.98Å; D126-C130 WeakPolarHBondContact OD2-CB 3.46Å
127L91.4Very high94.9Very high52 Ų5246 Ų4627%0.27225%0.249SC..THydrogen-bonded Turntrans-63.1-14.4-17970100.8000115.1P103 I106P103-L127 HydrophobicContact CB-CD1 3.58Å; P103-L127 HydrophobicContact CG-CD1 3.73Å; I106-L127 WeakPolarHBondContact O-CA 3.26Å
128I91.8Very high95.2Very high71 Ų7142.3 Ų42.336%0.36423%0.226SC..THydrogen-bonded Turntrans-104.6-2.9176.860.3172.7000112.9Y96 D126Y96-I128 WeakPolarHBondContact CA-O 3.46Å; Y96-I128 WeakPolarHBondContact CD2-O 3.49Å; D126-I128 PolarHBondContact O-N 3.47Å; D126-I128 VanDerWaalsContact O-N 3.09Å; D126-I128 WeakPolarHBondContact OD1-CG1 3.22Å; D126-I128 PolarHBondContact OD1-N 3.22Å; D126-I128 WeakPolarHBondContact OD2-CG1 3.2Å
129G91.2Very high95.4Very high3 Ų340.2 Ų40.23%0.03122%0.218CC..  trans94.821.2174.800000115.4S92 D126 P131S92-G129 VanDerWaalsContact CB-O 3.31Å; S92-G129 WeakPolarHBondContact CB-O 3.4Å; S92-G129 PolarHBondContact OG-O 3.34Å; D126-G129 PolarHBondContact O-N 2.82Å; D126-G129 PolarHBondContact OD1-N 2.81Å; G129-P131 VanDerWaalsContact O-CD 3.31Å; G129-P131 WeakPolarHBondContact O-CD 3.41Å
130C94.1Very high95.5Very high75 Ų7534.7 Ų34.751%0.50719%0.193SC..  trans-71.1116.3168.7-170.50000109.9L125 D126L125-C130 VanDerWaalsContact CA-O 3.3Å; L125-C130 WeakPolarHBondContact CA-O 3.29Å; D126-C130 HydrophobicContact CB-CB 4.48Å; D126-C130 VanDerWaalsContact CG-CB 3.41Å; D126-C130 PolarHBondContact N-O 3.28Å; D126-C130 WeakPolarHBondContact OD1-CB 3.2Å; D126-C130 PolarHBondContact OD1-N 2.98Å; D126-C130 WeakPolarHBondContact OD2-CB 3.46Å
131P95.4Very high95.5Very high58 Ų5834.7 Ų34.738%0.37720%0.195SC..EExtended strand (participates in β ladder)trans-82.1134179.932.2-31.7000111.9M88 G129M88-P131 HydrophobicContact CE-CB 4.18Å; M88-P131 HydrophobicContact CG-CB 3.93Å; M88-P131 HydrophobicContact SD-CB 3.61Å; G129-P131 VanDerWaalsContact O-CD 3.31Å; G129-P131 WeakPolarHBondContact O-CD 3.41Å
132M96Very high95.3Very high83 Ų8335.2 Ų35.241%0.40920%0.2SC..EExtended strand (participates in β ladder)trans-119.5111.2170.2-171.3175.17800109.3C123 S124 T134C123-M132 CarbonylContact C-O 3.16Å; C123-M132 WeakPolarHBondContact CA-O 3.42Å; C123-M132 WeakPolarHBondContact CB-O 3.47Å; S124-M132 PolarHBondContact N-O 3.22Å; S124-M132 PolarHBondContact O-N 3.47Å; S124-M132 WeakPolarHBondContact OG-CE 3.23Å; M132-T134 HydrophobicContact CE-CG2 4.22Å; M132-T134 HydrophobicContact CG-CG2 4.16Å
133V96.5Very high95.2Very high68 Ų6835.2 Ų35.241%0.41220%0.2SC..EExtended strand (participates in β ladder)trans-100.3130.5176.7-176.90000108.2M88 F121 C123M88-V133 HydrophobicContact CE-CG2 4.46Å; M88-V133 HydrophobicContact SD-CG2 3.6Å; F121-V133 HydrophobicContact CD2-CG1 4.45Å; F121-V133 HydrophobicContact CE2-CG1 3.78Å; F121-V133 HydrophobicContact CE2-CG2 4.13Å; F121-V133 HydrophobicContact CZ-CG1 4.35Å; F121-V133 HydrophobicContact CZ-CG2 4.03Å; C123-V133 HydrophobicContact CB-CG2 3.98Å
134T95.1Very high95Very high28 Ų2837.1 Ų37.117%0.17221%0.213CC..EExtended strand (participates in β ladder)trans-132.4164.8177.7720000110.4I122 M132 D136 F137 V138I122-T134 VanDerWaalsContact CG1-O 3.3Å; I122-T134 WeakPolarHBondContact CG1-O 3.33Å; M132-T134 HydrophobicContact CE-CG2 4.22Å; M132-T134 HydrophobicContact CG-CG2 4.16Å; T134-D136 WeakPolarHBondContact CB-OD1 3.48Å; T134-D136 PolarHBondContact OG1-OD1 2.88Å; T134-F137 PolarHBondContact OG1-O 3.22Å; T134-V138 HydrophobicContact CG2-CG1 4.07Å; T134-V138 VanDerWaalsContact OG1-CG1 3.26Å; T134-V138 WeakPolarHBondContact OG1-CG1 3.24Å
135E93.6Very high94.9Very high115 Ų11544.3 Ų44.354%0.53725%0.245SC..SBendtrans-107.70.4-177.4-59.9-74.2120.900112.3R15R15-E135 WeakPolarHBondContact CD-O 3.4Å; R15-E135 IonicContact CZ-OE2 3.97Å; R15-E135 VanDerWaalsContact NH1-CD 3.31Å; R15-E135 IonicContact NH1-OE2 3.4Å; R15-E135 PolarHBondContact NH1-OE2 3.46Å; R15-E135 IonicContact NH2-OE2 2.84Å; R15-E135 PolarHBondContact NH2-OE2 2.7Å
136D96.2Very high94.9Very high48 Ų4847.2 Ų47.226%0.25726%0.259SS..SBendtrans-113.4-82.4-174.847.410.2000111.5R15 I122 T134 W155R15-D136 WeakPolarHBondContact CB-O 3.25Å; R15-D136 PolarHBondContact N-O 2.89Å; I122-D136 WeakPolarHBondContact CD1-O 3.24Å; T134-D136 WeakPolarHBondContact CB-OD1 3.48Å; T134-D136 PolarHBondContact OG1-OD1 2.88Å; D136-W155 VanDerWaalsContact CA-CZ2 3.49Å; D136-W155 HydrophobicContact CB-CD2 3.87Å; D136-W155 HydrophobicContact CB-CE3 4.04Å; D136-W155 HydrophobicContact CB-CH2 3.85Å; D136-W155 HydrophobicContact CB-CZ2 3.69Å; D136-W155 HydrophobicContact CB-CZ3 4.02Å; D136-W155 PolarHBondContact O-NE1 3.05Å
137F97.4Very high95Very high8 Ų844.5 Ų44.54%0.03524%0.244CC..EExtended strand (participates in β ladder)trans-150.1160.5-179.361.7-94000111A13 M14 T134 V139 Y148 C151 E152 W155A13-F137 CarbonylContact O-C 3.59Å; A13-F137 VanDerWaalsContact O-CA 3.24Å; A13-F137 WeakPolarHBondContact O-CA 3.42Å; A13-F137 WeakPolarHBondContact O-CB 3.34Å; M14-F137 HydrophobicContact CB-CB 4.47Å; M14-F137 HydrophobicContact CG-CB 3.86Å; T134-F137 PolarHBondContact OG1-O 3.22Å; F137-V139 HydrophobicContact CD2-CG1 4.12Å; F137-Y148 AromaticContact CE2-CD1 3.71Å; F137-Y148 HydrophobicContact CE2-CD1 3.71Å; F137-Y148 HydrophobicContact CE2-CE1 4.03Å; F137-Y148 HydrophobicContact CZ-CD1 4.37Å; F137-C151 HydrophobicContact CD1-CB 3.7Å; F137-C151 HydrophobicContact CD2-CB 3.45Å; F137-C151 VanDerWaalsContact CD2-CB 3.45Å; F137-C151 HydrophobicContact CE1-CB 3.6Å; F137-C151 HydrophobicContact CE2-CB 3.34Å; F137-C151 HydrophobicContact CG-CB 3.63Å; F137-C151 HydrophobicContact CZ-CB 3.43Å; F137-C151 VanDerWaalsContact CZ-CB 3.43Å; F137-E152 HydrophobicContact CZ-CG 3.9Å; F137-E152 WeakPolarHBondContact CZ-OE1 3.38Å; F137-W155 HydrophobicContact CD1-CB 4.08Å; F137-W155 HydrophobicContact CD1-CG 4.06Å; F137-W155 HydrophobicContact CE1-CB 4.42Å
138V97.7Very high95.3Very high0 Ų046.4 Ų46.40%025%0.249CC..EExtended strand (participates in β ladder)trans-137.6144.1172.9-69.20000109.4M12 A13 V109 I122 T134M12-V138 WeakPolarHBondContact CA-O 3.43Å; A13-V138 HydrophobicContact CB-CG2 3.84Å; A13-V138 PolarHBondContact N-O 2.78Å; A13-V138 PolarHBondContact O-N 3.36Å; V109-V138 HydrophobicContact CG1-CG2 3.57Å; I122-V138 HydrophobicContact CB-CG2 4.19Å; I122-V138 HydrophobicContact CD1-CG1 4.41Å; I122-V138 HydrophobicContact CD1-CG2 4.43Å; T134-V138 HydrophobicContact CG2-CG1 4.07Å; T134-V138 VanDerWaalsContact OG1-CG1 3.26Å; T134-V138 WeakPolarHBondContact OG1-CG1 3.24Å
139V97.3Very high95.5Very high8 Ų845 Ų455%0.04825%0.251CS..EExtended strand (participates in β ladder)trans-135.6149.5-175.4-57.10000110.2M12 F137 M147 Y148M12-V139 HydrophobicContact CB-CG1 4.35Å; M12-V139 HydrophobicContact CE-CG1 3.89Å; M12-V139 HydrophobicContact CG-CG1 4.07Å; F137-V139 HydrophobicContact CD2-CG1 4.12Å; V139-M147 HydrophobicContact CB-CB 4.01Å; V139-M147 HydrophobicContact CB-CE 4.02Å; V139-M147 HydrophobicContact CB-SD 4.24Å; V139-M147 HydrophobicContact CG1-CB 3.79Å; V139-M147 HydrophobicContact CG1-SD 4.41Å; V139-M147 HydrophobicContact CG2-CB 4.36Å; V139-Y148 HydrophobicContact CG2-CD1 4.03Å; V139-Y148 HydrophobicContact CG2-CD2 3.67Å; V139-Y148 HydrophobicContact CG2-CE1 3.68Å; V139-Y148 HydrophobicContact CG2-CE2 3.3Å; V139-Y148 HydrophobicContact CG2-CG 3.99Å
140S96.6Very high95.8Very high3 Ų347.2 Ų47.22%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-154.6141.8-178.8170.40000110.6V11 E107 V109 M147V11-S140 PolarHBondContact N-O 2.93Å; V11-S140 PolarHBondContact O-N 2.85Å; V11-S140 VanDerWaalsContact O-O 3.07Å; E107-S140 WeakPolarHBondContact CB-OG 3.41Å; E107-S140 WeakPolarHBondContact O-CB 3.41Å; E107-S140 PolarHBondContact O-OG 3.06Å; V109-S140 VanDerWaalsContact CG2-CB 3.49Å; S140-M147 WeakPolarHBondContact O-CE 3.38Å
141G94.4Very high95.9Very high14 Ų1443.7 Ų43.714%0.14424%0.237CC..EExtended strand (participates in β ladder)trans124.3-169.1178.700000114.3G9 C143G9-G141 CarbonylContact O-C 3.56Å; G9-G141 WeakPolarHBondContact O-CA 3.38Å; G141-C143 PolarHBondContact O-N 3.06Å
142T94.5Very high95.9Very high30 Ų3047.1 Ų47.118%0.18425%0.249CC..THydrogen-bonded Turntrans-74.2-23.3-171.648.20000114.4N5 G9 D179 V181 S182N5-T142 HydrophobicContact CB-CG2 4.11Å; G9-T142 PolarHBondContact N-OG1 3.23Å; G9-T142 PolarHBondContact O-N 3.38Å; G9-T142 PolarHBondContact O-OG1 2.64Å; T142-D179 PolarHBondContact OG1-OD2 3.43Å; T142-V181 HydrophobicContact CG2-CG2 4.16Å; T142-S182 PolarHBondContact OG1-OG 2.82Å; T142-S182 VanDerWaalsContact OG1-OG 3.05Å
143C94.1Very high95.9Very high0 Ų047.9 Ų47.90%026%0.262CS..THydrogen-bonded Turntrans-104.834.317970.20000113A10 G141 E145 Q146 M147 D179A10-C143 WeakPolarHBondContact CB-SG 3.29Å; G141-C143 PolarHBondContact O-N 3.06Å; C143-E145 PolarHBondContact O-N 3.09Å; C143-Q146 HydrophobicContact CB-CB 4.49Å; C143-Q146 PolarHBondContact O-N 3.01Å; C143-Q146 PolarHBondContact O-OE1 3.11Å; C143-M147 WeakPolarHBondContact O-CB 3.46Å; C143-M147 VanDerWaalsContact O-CG 3.32Å; C143-M147 WeakPolarHBondContact O-CG 3.44Å; C143-M147 PolarHBondContact O-N 2.89Å; C143-D179 HydrophobicContact CB-CB 3.59Å
144S94Very high95.8Very high41 Ų4147.6 Ų47.629%0.28726%0.258SS..Hα-helixtrans-59.5-44.8-17654.40000112.9Q146 M147 Y148S144-Q146 VanDerWaalsContact C-N 3.35Å; S144-Q146 PolarHBondContact O-N 3.27Å; S144-M147 PolarHBondContact O-N 3.46Å; S144-Y148 WeakPolarHBondContact O-CD2 3.35Å; S144-Y148 PolarHBondContact O-N 3.45Å
145E94.8Very high95.9Very high163 Ų16349.6 Ų49.676%0.76226%0.262SS*.Hα-helixtrans-60.1-42.8178.5-65.1-177.7-177.400112.4C143 Y148 G149C143-E145 PolarHBondContact O-N 3.09Å; E145-Y148 PolarHBondContact O-N 3.29Å; E145-G149 PolarHBondContact O-N 2.86Å; E145-G149 VanDerWaalsContact O-N 3.09Å
146Q96.1Very high96Very high66 Ų6650.3 Ų50.331%0.30827%0.266SS..Hα-helixtrans-66.7-41.8177.4-6283.1-13.100110.9C143 S144 G149 M150 A175 R178C143-Q146 HydrophobicContact CB-CB 4.49Å; C143-Q146 PolarHBondContact O-N 3.01Å; C143-Q146 PolarHBondContact O-OE1 3.11Å; S144-Q146 VanDerWaalsContact C-N 3.35Å; S144-Q146 PolarHBondContact O-N 3.27Å; Q146-G149 PolarHBondContact O-N 3.43Å; Q146-M150 WeakPolarHBondContact O-CG 3.43Å; Q146-M150 PolarHBondContact O-N 3.5Å; Q146-M150 VanDerWaalsContact O-N 3.14Å; Q146-A175 HydrophobicContact CB-CB 3.99Å; Q146-R178 HydrophobicContact CG-CB 4.12Å
147M96.9Very high95.9Very high0 Ų052.4 Ų52.40%028%0.282CS..Hα-helixtrans-63-45.2176.2-75-171.4-70.700111.5A10 M12 V139 S140 C143 S144 G149 M150 C151 M172 A175A10-M147 HydrophobicContact CB-CE 4.11Å; A10-M147 HydrophobicContact CB-SD 4.11Å; M12-M147 HydrophobicContact CB-SD 4.18Å; M12-M147 HydrophobicContact CE-CB 3.58Å; M12-M147 HydrophobicContact CE-CG 3.55Å; M12-M147 HydrophobicContact CE-SD 3.77Å; V139-M147 HydrophobicContact CB-CB 4.01Å; V139-M147 HydrophobicContact CB-CE 4.02Å; V139-M147 HydrophobicContact CB-SD 4.24Å; V139-M147 HydrophobicContact CG1-CB 3.79Å; V139-M147 HydrophobicContact CG1-SD 4.41Å; V139-M147 HydrophobicContact CG2-CB 4.36Å; S140-M147 WeakPolarHBondContact O-CE 3.38Å; C143-M147 WeakPolarHBondContact O-CB 3.46Å; C143-M147 VanDerWaalsContact O-CG 3.32Å; C143-M147 WeakPolarHBondContact O-CG 3.44Å; C143-M147 PolarHBondContact O-N 2.89Å; S144-M147 PolarHBondContact O-N 3.46Å; M147-G149 PolarHBondContact O-N 2.96Å; M147-M150 PolarHBondContact O-N 3.06Å; M147-C151 WeakPolarHBondContact O-CB 3.07Å; M147-C151 PolarHBondContact O-N 3.48Å; M147-C151 PolarHBondContact O-SG 2.99Å; M147-M172 HydrophobicContact SD-SD 3.85Å; M147-A175 HydrophobicContact CB-CB 4.41Å; M147-A175 HydrophobicContact CG-CB 3.64Å
148Y97.2Very high95.7Very high93 Ų9357.9 Ų57.937%0.36531%0.311SS..Hα-helixtrans-55.9-48.9173.9-81-66.1000111.3F137 V139 S144 E145 M150 C151 E152F137-Y148 AromaticContact CE2-CD1 3.71Å; F137-Y148 HydrophobicContact CE2-CD1 3.71Å; F137-Y148 HydrophobicContact CE2-CE1 4.03Å; F137-Y148 HydrophobicContact CZ-CD1 4.37Å; V139-Y148 HydrophobicContact CG2-CD1 4.03Å; V139-Y148 HydrophobicContact CG2-CD2 3.67Å; V139-Y148 HydrophobicContact CG2-CE1 3.68Å; V139-Y148 HydrophobicContact CG2-CE2 3.3Å; V139-Y148 HydrophobicContact CG2-CG 3.99Å; S144-Y148 WeakPolarHBondContact O-CD2 3.35Å; S144-Y148 PolarHBondContact O-N 3.45Å; E145-Y148 PolarHBondContact O-N 3.29Å; Y148-M150 VanDerWaalsContact C-N 3.31Å; Y148-M150 PolarHBondContact O-N 3.35Å; Y148-C151 PolarHBondContact O-N 3.34Å; Y148-E152 WeakPolarHBondContact O-CB 3.44Å; Y148-E152 VanDerWaalsContact O-CG 3.23Å; Y148-E152 WeakPolarHBondContact O-CG 3.47Å; Y148-E152 PolarHBondContact O-N 3.32Å
149G96.4Very high95.5Very high41 Ų4158.4 Ų58.442%0.42331%0.314SS..Hα-helixtrans-59.1-39-179.400000114.1E145 Q146 M147 S153E145-G149 PolarHBondContact O-N 2.86Å; E145-G149 VanDerWaalsContact O-N 3.09Å; Q146-G149 PolarHBondContact O-N 3.43Å; M147-G149 PolarHBondContact O-N 2.96Å; G149-S153 PolarHBondContact O-OG 3.06Å
150M96.8Very high95.4Very high50 Ų5062.1 Ų62.125%0.24633%0.331CS..Hα-helixtrans-74.4-45177.1-65.3-58.6-55.400112.3Q146 M147 Y148 S153 L154 A171 N174 A175Q146-M150 WeakPolarHBondContact O-CG 3.43Å; Q146-M150 PolarHBondContact O-N 3.5Å; Q146-M150 VanDerWaalsContact O-N 3.14Å; M147-M150 PolarHBondContact O-N 3.06Å; Y148-M150 VanDerWaalsContact C-N 3.31Å; Y148-M150 PolarHBondContact O-N 3.35Å; M150-S153 PolarHBondContact O-N 2.96Å; M150-L154 HydrophobicContact CE-CD1 3.84Å; M150-L154 HydrophobicContact CE-CG 4.5Å; M150-L154 WeakPolarHBondContact O-CG 3.43Å; M150-L154 PolarHBondContact O-N 3.21Å; M150-L154 VanDerWaalsContact O-N 3.09Å; M150-A171 HydrophobicContact CB-CB 3.96Å; M150-N174 HydrophobicContact CE-CB 3.67Å; M150-N174 HydrophobicContact CG-CB 4.26Å; M150-N174 HydrophobicContact SD-CB 3.87Å; M150-A175 HydrophobicContact CG-CB 4.49Å
151C95.9Very high95.4Very high0 Ų063.3 Ų63.30%034%0.338CS..Hα-helixtrans-62.6-45.4-179-69.10000112.2M12 M14 F137 M147 Y148 S153 L154 W155M12-C151 WeakPolarHBondContact CE-SG 3.37Å; M14-C151 HydrophobicContact CE-CB 4.36Å; M14-C151 VanDerWaalsContact CE-SG 3.5Å; F137-C151 HydrophobicContact CD1-CB 3.7Å; F137-C151 HydrophobicContact CD2-CB 3.45Å; F137-C151 VanDerWaalsContact CD2-CB 3.45Å; F137-C151 HydrophobicContact CE1-CB 3.6Å; F137-C151 HydrophobicContact CE2-CB 3.34Å; F137-C151 HydrophobicContact CG-CB 3.63Å; F137-C151 HydrophobicContact CZ-CB 3.43Å; F137-C151 VanDerWaalsContact CZ-CB 3.43Å; M147-C151 WeakPolarHBondContact O-CB 3.07Å; M147-C151 PolarHBondContact O-N 3.48Å; M147-C151 PolarHBondContact O-SG 2.99Å; Y148-C151 PolarHBondContact O-N 3.34Å; C151-S153 PolarHBondContact O-N 3.42Å; C151-L154 PolarHBondContact O-N 2.82Å; C151-W155 WeakPolarHBondContact O-CB 3.5Å; C151-W155 PolarHBondContact O-N 3.07Å
152E96.3Very high95.4Very high131 Ų13169.3 Ų69.361%0.61236%0.363SS*.Hα-helixtrans-59-29.4177.7-72.7-68.8168.400112.7F137 Y148F137-E152 HydrophobicContact CZ-CG 3.9Å; F137-E152 WeakPolarHBondContact CZ-OE1 3.38Å; Y148-E152 WeakPolarHBondContact O-CB 3.44Å; Y148-E152 VanDerWaalsContact O-CG 3.23Å; Y148-E152 WeakPolarHBondContact O-CG 3.47Å; Y148-E152 PolarHBondContact O-N 3.32Å
153S95.6Very high95.5Very high98 Ų9872.3 Ų72.369%0.68538%0.378SS*.Hα-helixtrans-88.2-29.4-177.4-57.30000113.5G149 M150 C151G149-S153 PolarHBondContact O-OG 3.06Å; M150-S153 PolarHBondContact O-N 2.96Å; C151-S153 PolarHBondContact O-N 3.42Å
154L95.9Very high95.6Very high62 Ų6272.3 Ų72.333%0.32538%0.378SS..Hα-helixtrans-108.3-20.3-171.2-59.6178000113.8M150 C151 T167 Q170 A171M150-L154 HydrophobicContact CE-CD1 3.84Å; M150-L154 HydrophobicContact CE-CG 4.5Å; M150-L154 WeakPolarHBondContact O-CG 3.43Å; M150-L154 PolarHBondContact O-N 3.21Å; M150-L154 VanDerWaalsContact O-N 3.09Å; C151-L154 PolarHBondContact O-N 2.82Å; L154-T167 HydrophobicContact CB-CG2 3.83Å; L154-T167 WeakPolarHBondContact O-CG2 3.36Å; L154-Q170 HydrophobicContact CD1-CB 3.99Å; L154-A171 HydrophobicContact CD1-CB 4.22Å
155W96.8Very high95.8Very high70 Ų7071.1 Ų71.127%0.26537%0.367SS..  trans-73.7131.5-176.4-179.286.5000111R15 D136 F137 C151 P157 M159R15-W155 PolarHBondContact O-NE1 2.64Å; D136-W155 VanDerWaalsContact CA-CZ2 3.49Å; D136-W155 HydrophobicContact CB-CD2 3.87Å; D136-W155 HydrophobicContact CB-CE3 4.04Å; D136-W155 HydrophobicContact CB-CH2 3.85Å; D136-W155 HydrophobicContact CB-CZ2 3.69Å; D136-W155 HydrophobicContact CB-CZ3 4.02Å; D136-W155 PolarHBondContact O-NE1 3.05Å; F137-W155 HydrophobicContact CD1-CB 4.08Å; F137-W155 HydrophobicContact CD1-CG 4.06Å; F137-W155 HydrophobicContact CE1-CB 4.42Å; C151-W155 WeakPolarHBondContact O-CB 3.5Å; C151-W155 PolarHBondContact O-N 3.07Å; W155-P157 HydrophobicContact CH2-CB 4.04Å; W155-M159 VanDerWaalsContact CD1-CE 3.41Å; W155-M159 HydrophobicContact CG-CE 4.12Å
156E94.9Very high95.9Very high131 Ų13168 Ų6861%0.61235%0.353SS*.  trans-124.1147.6172.6-66-174.2170.900110.1M159E156-M159 HydrophobicContact CB-CG 4.11Å; E156-M159 HydrophobicContact CB-SD 4.46Å; E156-M159 WeakPolarHBondContact O-CE 3.35Å; E156-M159 WeakPolarHBondContact O-CG 3.49Å
157P94.1Very high95.9Very high91 Ų9165.9 Ų65.959%0.59135%0.345SS*.THydrogen-bonded Turntrans-65147.5173.328-34000110.9W155 M159W155-P157 HydrophobicContact CH2-CB 4.04Å; P157-M159 VanDerWaalsContact C-N 3.34Å; P157-M159 PolarHBondContact O-N 3.2Å
158D93.1Very high96Very high123 Ų12365.9 Ų65.966%0.65835%0.345SS*.THydrogen-bonded Turntrans59.831173.2-61.2-46.8000116.5K17K17-D158 HydrophobicContact CB-CB 4.35Å; K17-D158 HydrophobicContact CD-CB 4.46Å
159M94.2Very high96Very high12 Ų1261.6 Ų61.66%0.05933%0.328CS..  trans-59.2136172.9-72.2-177-72.800112.9K17 W155 E156 P157 D163 L164 T167K17-M159 WeakPolarHBondContact CB-O 3.4Å; K17-M159 PolarHBondContact N-O 2.67Å; W155-M159 VanDerWaalsContact CD1-CE 3.41Å; W155-M159 HydrophobicContact CG-CE 4.12Å; E156-M159 HydrophobicContact CB-CG 4.11Å; E156-M159 HydrophobicContact CB-SD 4.46Å; E156-M159 WeakPolarHBondContact O-CE 3.35Å; E156-M159 WeakPolarHBondContact O-CG 3.49Å; P157-M159 VanDerWaalsContact C-N 3.34Å; P157-M159 PolarHBondContact O-N 3.2Å; M159-D163 HydrophobicContact CB-CB 4.4Å; M159-L164 HydrophobicContact CB-CB 4.29Å; M159-L164 HydrophobicContact CE-CD1 3.7Å; M159-T167 HydrophobicContact CE-CG2 4.12Å; M159-T167 HydrophobicContact SD-CG2 3.97Å; M159-T167 PolarHBondContact SD-OG1 3Å
160E96Very high96Very high85 Ų8563.9 Ų63.940%0.39733%0.328SS..  trans-72.5162.4171.6-65.9-67.6162.200110.9K17 E162 D163 L164K17-E160 VanDerWaalsContact CD-OE1 3.27Å; K17-E160 WeakPolarHBondContact CD-OE1 3.31Å; K17-E160 IonicContact NZ-OE1 2.69Å; K17-E160 PolarHBondContact NZ-OE1 3.5Å; E160-E162 VanDerWaalsContact C-N 3.29Å; E160-E162 PolarHBondContact O-N 3.01Å; E160-E162 VanDerWaalsContact O-N 3.16Å; E160-D163 PolarHBondContact O-N 3.4Å; E160-L164 WeakPolarHBondContact O-CB 3.3Å; E160-L164 PolarHBondContact O-N 3.46Å
161P95.3Very high96Very high28 Ų2861.5 Ų61.518%0.18232%0.316CS..Hα-helixtrans-58-32.7-171.9-2734.2000115.8C19 F165 V190 E192C19-P161 HydrophobicContact CB-CG 4.15Å; P161-F165 WeakPolarHBondContact O-CB 3.48Å; P161-F165 PolarHBondContact O-N 2.95Å; P161-F165 VanDerWaalsContact O-N 3.11Å; P161-V190 HydrophobicContact CB-CG1 4.24Å; P161-E192 HydrophobicContact CB-CG 4.01Å; P161-E192 HydrophobicContact CG-CG 3.99Å
162E95.1Very high96.1Very high141 Ų14161.5 Ų61.566%0.65932%0.316SS*.Hα-helixtrans-76.4-42.3178.2-65.1-166.9161.800111.8E160 L164 F165 E166E160-E162 VanDerWaalsContact C-N 3.29Å; E160-E162 PolarHBondContact O-N 3.01Å; E160-E162 VanDerWaalsContact O-N 3.16Å; E162-L164 VanDerWaalsContact C-N 3.34Å; E162-F165 WeakPolarHBondContact O-CB 3.14Å; E162-F165 PolarHBondContact O-N 3.03Å; E162-E166 PolarHBondContact O-N 3.34Å
163D95.9Very high96.1Very high93 Ų9356.7 Ų56.750%0.49729%0.294SS..Hα-helixtrans-64.4-42.8175.3-59.3-35.6000110.3M159 E160 F165 E166 T167M159-D163 HydrophobicContact CB-CB 4.4Å; E160-D163 PolarHBondContact O-N 3.4Å; D163-F165 VanDerWaalsContact C-N 3.27Å; D163-F165 PolarHBondContact O-N 3.11Å; D163-E166 PolarHBondContact O-N 3.46Å; D163-T167 WeakPolarHBondContact O-CB 3.24Å; D163-T167 PolarHBondContact O-N 2.78Å; D163-T167 PolarHBondContact O-OG1 3.09Å; D163-T167 VanDerWaalsContact O-OG1 3.05Å
164L96.8Very high96.2Very high0 Ų055.4 Ų55.40%028%0.28CS..Hα-helixtrans-59.1-39.9174.6-175.866.9000111.7M14 A21 M159 E160 E162 I168M14-L164 HydrophobicContact CB-CD1 3.69Å; M14-L164 HydrophobicContact SD-CD1 4.47Å; A21-L164 HydrophobicContact CB-CD2 3.74Å; A21-L164 HydrophobicContact CB-CG 3.82Å; M159-L164 HydrophobicContact CB-CB 4.29Å; M159-L164 HydrophobicContact CE-CD1 3.7Å; E160-L164 WeakPolarHBondContact O-CB 3.3Å; E160-L164 PolarHBondContact O-N 3.46Å; E162-L164 VanDerWaalsContact C-N 3.34Å; L164-I168 WeakPolarHBondContact O-CB 3.39Å; L164-I168 VanDerWaalsContact O-CG2 3.27Å; L164-I168 WeakPolarHBondContact O-CG2 3.25Å; L164-I168 PolarHBondContact O-N 3.36Å
165F97.5Very high96.2Very high15 Ų1552.5 Ų52.57%0.06627%0.265CS..Hα-helixtrans-63.6-45.7175.6171.2-99.8000111.9P161 E162 D163 I168 S169 V188 V190 R199 L201P161-F165 WeakPolarHBondContact O-CB 3.48Å; P161-F165 PolarHBondContact O-N 2.95Å; P161-F165 VanDerWaalsContact O-N 3.11Å; E162-F165 WeakPolarHBondContact O-CB 3.14Å; E162-F165 PolarHBondContact O-N 3.03Å; D163-F165 VanDerWaalsContact C-N 3.27Å; D163-F165 PolarHBondContact O-N 3.11Å; F165-I168 WeakPolarHBondContact O-CG2 3.44Å; F165-S169 WeakPolarHBondContact CE2-OG 3.48Å; F165-S169 WeakPolarHBondContact O-CB 3.5Å; F165-S169 PolarHBondContact O-N 3.1Å; F165-S169 PolarHBondContact O-OG 3.34Å; F165-V188 HydrophobicContact CD2-CB 4.34Å; F165-V188 HydrophobicContact CD2-CG1 3.9Å; F165-V188 HydrophobicContact CE2-CB 4.06Å; F165-V188 HydrophobicContact CE2-CG1 4.13Å; F165-V188 HydrophobicContact CE2-CG2 4.4Å; F165-V190 HydrophobicContact CB-CG2 4Å; F165-V190 HydrophobicContact CD2-CG2 3.99Å; F165-V190 HydrophobicContact CG-CG2 4.45Å; F165-R199 HydrophobicContact CE2-CB 3.71Å; F165-R199 HydrophobicContact CE2-CG 4.12Å; F165-R199 HydrophobicContact CZ-CB 4Å; F165-R199 HydrophobicContact CZ-CG 4.3Å; F165-L201 HydrophobicContact CE2-CD2 4.07Å; F165-L201 HydrophobicContact CZ-CD2 3.6Å
166E97Very high96.2Very high97 Ų9749.3 Ų49.345%0.45325%0.253SS..Hα-helixtrans-66-44.7178.5-70.3-58.3144.200111E162 D163 S169 Q170E162-E166 PolarHBondContact O-N 3.34Å; D163-E166 PolarHBondContact O-N 3.46Å; E166-S169 PolarHBondContact O-N 2.75Å; E166-Q170 WeakPolarHBondContact O-CG 3.39Å; E166-Q170 PolarHBondContact O-N 2.77Å
167T97.4Very high96.2Very high23 Ų2346.6 Ų46.614%0.14124%0.243CC..Hα-helixtrans-59.4-50.6178.5-63.80000112.1M14 L154 M159 D163 S169 Q170 A171M14-T167 HydrophobicContact CE-CG2 4.1Å; M14-T167 HydrophobicContact SD-CG2 3.81Å; L154-T167 HydrophobicContact CB-CG2 3.83Å; L154-T167 WeakPolarHBondContact O-CG2 3.36Å; M159-T167 HydrophobicContact CE-CG2 4.12Å; M159-T167 HydrophobicContact SD-CG2 3.97Å; M159-T167 PolarHBondContact SD-OG1 3Å; D163-T167 WeakPolarHBondContact O-CB 3.24Å; D163-T167 PolarHBondContact O-N 2.78Å; D163-T167 PolarHBondContact O-OG1 3.09Å; D163-T167 VanDerWaalsContact O-OG1 3.05Å; T167-S169 VanDerWaalsContact C-N 3.29Å; T167-S169 PolarHBondContact O-N 2.97Å; T167-Q170 PolarHBondContact O-N 3.43Å; T167-A171 VanDerWaalsContact O-CB 3.3Å; T167-A171 WeakPolarHBondContact O-CB 3.44Å; T167-A171 PolarHBondContact O-N 3.06Å
168I97.6Very high96.2Very high0 Ų052.1 Ų52.10%025%0.252CS..Hα-helixtrans-66.8-33.3178.5-161.2171.8000111.8M12 M14 A21 A23 L164 F165 M172 V188M12-I168 HydrophobicContact CG-CD1 4.31Å; M12-I168 HydrophobicContact CG-CG1 4.24Å; M12-I168 HydrophobicContact SD-CG1 3.8Å; M14-I168 HydrophobicContact CB-CD1 4.36Å; M14-I168 HydrophobicContact CE-CB 4.26Å; M14-I168 HydrophobicContact CE-CG1 4.26Å; M14-I168 HydrophobicContact CG-CB 4.41Å; M14-I168 HydrophobicContact CG-CD1 4.22Å; M14-I168 HydrophobicContact CG-CG1 4.17Å; M14-I168 HydrophobicContact SD-CB 3.82Å; M14-I168 HydrophobicContact SD-CG1 4.12Å; A21-I168 HydrophobicContact CB-CB 4.47Å; A21-I168 HydrophobicContact CB-CD1 3.68Å; A21-I168 HydrophobicContact CB-CG2 4.07Å; A23-I168 HydrophobicContact CB-CD1 3.73Å; A23-I168 HydrophobicContact CB-CG1 3.95Å; L164-I168 WeakPolarHBondContact O-CB 3.39Å; L164-I168 VanDerWaalsContact O-CG2 3.27Å; L164-I168 WeakPolarHBondContact O-CG2 3.25Å; L164-I168 PolarHBondContact O-N 3.36Å; F165-I168 WeakPolarHBondContact O-CG2 3.44Å; I168-M172 HydrophobicContact CG1-CG 4.44Å; I168-M172 VanDerWaalsContact O-CB 3.32Å; I168-M172 WeakPolarHBondContact O-CB 3.25Å; I168-M172 WeakPolarHBondContact O-CG 3.5Å; I168-M172 PolarHBondContact O-N 2.92Å; I168-V188 HydrophobicContact CG2-CG1 3.61Å
169S97.4Very high96.3Very high3 Ų347.7 Ų47.72%0.02123%0.228CC..Hα-helixtrans-67-48178.2-64.90000111.4F165 E166 T167 L173 L201F165-S169 WeakPolarHBondContact CE2-OG 3.48Å; F165-S169 WeakPolarHBondContact O-CB 3.5Å; F165-S169 PolarHBondContact O-N 3.1Å; F165-S169 PolarHBondContact O-OG 3.34Å; E166-S169 PolarHBondContact O-N 2.75Å; T167-S169 VanDerWaalsContact C-N 3.29Å; T167-S169 PolarHBondContact O-N 2.97Å; S169-L173 WeakPolarHBondContact O-CB 3.21Å; S169-L173 VanDerWaalsContact O-CG 3.24Å; S169-L173 WeakPolarHBondContact O-CG 3.28Å; S169-L173 PolarHBondContact O-N 2.82Å; S169-L201 VanDerWaalsContact CB-CD1 3.49Å; S169-L201 WeakPolarHBondContact OG-CD1 3.4Å
170Q97.1Very high96.3Very high89 Ų8951.7 Ų51.742%0.41626%0.263SS..Hα-helixtrans-65.4-42.2177.1-67.6-57.9-3600111.4L154 E166 T167 N174L154-Q170 HydrophobicContact CD1-CB 3.99Å; E166-Q170 WeakPolarHBondContact O-CG 3.39Å; E166-Q170 PolarHBondContact O-N 2.77Å; T167-Q170 PolarHBondContact O-N 3.43Å; Q170-N174 WeakPolarHBondContact O-CB 3.29Å; Q170-N174 PolarHBondContact O-N 3.15Å; Q170-N174 PolarHBondContact O-ND2 2.82Å
171A97.3Very high96.2Very high0 Ų049.1 Ų49.10%025%0.253CS..Hα-helixtrans-61.8-47.3178.300000111.6M12 M14 M150 L154 T167 A175M12-A171 HydrophobicContact CE-CB 4.19Å; M12-A171 HydrophobicContact SD-CB 4.08Å; M14-A171 HydrophobicContact CE-CB 3.6Å; M150-A171 HydrophobicContact CB-CB 3.96Å; L154-A171 HydrophobicContact CD1-CB 4.22Å; T167-A171 VanDerWaalsContact O-CB 3.3Å; T167-A171 WeakPolarHBondContact O-CB 3.44Å; T167-A171 PolarHBondContact O-N 3.06Å; A171-A175 WeakPolarHBondContact O-CB 3.48Å; A171-A175 PolarHBondContact O-N 3.12Å; A171-A175 VanDerWaalsContact O-N 3.11Å
172M96.7Very high96.2Very high0 Ų048.2 Ų48.20%025%0.248CC..Hα-helixtrans-66-49.1179.4-78.3-66.3-68.100112.7A10 M12 A23 M147 I168 N174 A175 V176 V186A10-M172 HydrophobicContact CB-CE 4.15Å; M12-M172 HydrophobicContact CB-CG 4.32Å; M12-M172 HydrophobicContact CB-SD 3.57Å; M12-M172 VanDerWaalsContact CB-SD 3.57Å; M12-M172 HydrophobicContact CE-CG 4.3Å; M12-M172 HydrophobicContact CE-SD 3.86Å; M12-M172 HydrophobicContact CG-SD 4.44Å; M12-M172 HydrophobicContact SD-CG 3.93Å; M12-M172 HydrophobicContact SD-SD 4.05Å; A23-M172 HydrophobicContact CB-CE 4.42Å; A23-M172 HydrophobicContact CB-CG 3.7Å; A23-M172 HydrophobicContact CB-SD 4.41Å; M147-M172 HydrophobicContact SD-SD 3.85Å; I168-M172 HydrophobicContact CG1-CG 4.44Å; I168-M172 VanDerWaalsContact O-CB 3.32Å; I168-M172 WeakPolarHBondContact O-CB 3.25Å; I168-M172 WeakPolarHBondContact O-CG 3.5Å; I168-M172 PolarHBondContact O-N 2.92Å; M172-N174 PolarHBondContact O-N 2.88Å; M172-A175 PolarHBondContact O-N 3.45Å; M172-V176 HydrophobicContact CE-CG1 4.14Å; M172-V176 WeakPolarHBondContact O-CG1 3.14Å; M172-V176 VanDerWaalsContact O-CG2 3.3Å; M172-V176 WeakPolarHBondContact O-CG2 3.3Å; M172-V176 PolarHBondContact O-N 2.84Å; M172-V186 HydrophobicContact CB-CG1 4.04Å; M172-V186 HydrophobicContact CE-CG1 4.3Å; M172-V186 HydrophobicContact CG-CG1 4.47Å
173L96.9Very high96.1Very high29 Ų2941.8 Ų41.815%0.15222%0.219CC..Hα-helixtrans-59.1-47.9-177.3-73.2171.8000111.7S169 A175 D177 V186 L201 A203S169-L173 WeakPolarHBondContact O-CB 3.21Å; S169-L173 VanDerWaalsContact O-CG 3.24Å; S169-L173 WeakPolarHBondContact O-CG 3.28Å; S169-L173 PolarHBondContact O-N 2.82Å; L173-A175 VanDerWaalsContact C-N 3.33Å; L173-A175 PolarHBondContact O-N 2.83Å; L173-D177 VanDerWaalsContact O-CB 3.29Å; L173-D177 WeakPolarHBondContact O-CB 3.32Å; L173-D177 PolarHBondContact O-N 3.19Å; L173-D177 VanDerWaalsContact O-N 3.08Å; L173-V186 HydrophobicContact CD2-CG2 4.24Å; L173-L201 HydrophobicContact CD1-CD1 4.07Å; L173-L201 HydrophobicContact CD2-CB 4.32Å; L173-L201 HydrophobicContact CD2-CD1 4.34Å; L173-L201 HydrophobicContact CG-CD1 4Å; L173-A203 HydrophobicContact CD2-CB 3.59Å
174N96.6Very high96Very high72 Ų7238.4 Ų38.439%0.38520%0.201SC..Hα-helixtrans-69.7-31.3-179.2-68.6-62.3000112.7M150 Q170 M172M150-N174 HydrophobicContact CE-CB 3.67Å; M150-N174 HydrophobicContact CG-CB 4.26Å; M150-N174 HydrophobicContact SD-CB 3.87Å; Q170-N174 WeakPolarHBondContact O-CB 3.29Å; Q170-N174 PolarHBondContact O-N 3.15Å; Q170-N174 PolarHBondContact O-ND2 2.82Å; M172-N174 PolarHBondContact O-N 2.88Å
175A96.4Very high95.8Very high1 Ų138.8 Ų38.81%0.00820%0.204CC..Hα-helixtrans-72.8-47.4177.100000112.2Q146 M147 M150 A171 M172 L173 D177 R178Q146-A175 HydrophobicContact CB-CB 3.99Å; M147-A175 HydrophobicContact CB-CB 4.41Å; M147-A175 HydrophobicContact CG-CB 3.64Å; M150-A175 HydrophobicContact CG-CB 4.49Å; A171-A175 WeakPolarHBondContact O-CB 3.48Å; A171-A175 PolarHBondContact O-N 3.12Å; A171-A175 VanDerWaalsContact O-N 3.11Å; M172-A175 PolarHBondContact O-N 3.45Å; L173-A175 VanDerWaalsContact C-N 3.33Å; L173-A175 PolarHBondContact O-N 2.83Å; A175-D177 PolarHBondContact O-N 3.47Å; A175-R178 PolarHBondContact O-N 3.36Å
176V96.4Very high95.8Very high3 Ų338 Ų382%0.01820%0.201CC..Hα-helixtrans-69.9-31.9-178.8-58.40000112.2A10 D25 M172 R178 D179 V186A10-V176 HydrophobicContact CB-CG1 4.13Å; D25-V176 HydrophobicContact CB-CG1 4.41Å; M172-V176 HydrophobicContact CE-CG1 4.14Å; M172-V176 WeakPolarHBondContact O-CG1 3.14Å; M172-V176 VanDerWaalsContact O-CG2 3.3Å; M172-V176 WeakPolarHBondContact O-CG2 3.3Å; M172-V176 PolarHBondContact O-N 2.84Å; V176-R178 PolarHBondContact O-N 2.95Å; V176-R178 VanDerWaalsContact O-N 3.08Å; V176-D179 PolarHBondContact O-N 3.15Å; V176-D179 VanDerWaalsContact O-O 3.09Å; V176-V186 HydrophobicContact CG2-CG2 4.19Å
177D94.9Very high95.8Very high74 Ų7434.5 Ų34.540%0.39619%0.186SC..THydrogen-bonded Turntrans-64.5-13.5175.8-78.21.7000113L173 A175 R204L173-D177 VanDerWaalsContact O-CB 3.29Å; L173-D177 WeakPolarHBondContact O-CB 3.32Å; L173-D177 PolarHBondContact O-N 3.19Å; L173-D177 VanDerWaalsContact O-N 3.08Å; A175-D177 PolarHBondContact O-N 3.47Å; D177-R204 WeakPolarHBondContact OD1-CD 3.47Å; D177-R204 WeakPolarHBondContact OD2-CD 3.35Å
178R94.9Very high95.9Very high207 Ų20733.4 Ų33.478%0.78118%0.179SC*.THydrogen-bonded Turntrans-101-0.1174.7-73.9-67.9-176177.7-1.4113.9Q146 A175 V176Q146-R178 HydrophobicContact CG-CB 4.12Å; A175-R178 PolarHBondContact O-N 3.36Å; V176-R178 PolarHBondContact O-N 2.95Å; V176-R178 VanDerWaalsContact O-N 3.08Å
179D94.9Very high95.9Very high29 Ų2934.5 Ų34.516%0.15518%0.184CC..  trans-114.8129.6177.1-178.418.9000111.3T142 C143 V176 V181 S182T142-D179 PolarHBondContact OG1-OD2 3.43Å; C143-D179 HydrophobicContact CB-CB 3.59Å; V176-D179 PolarHBondContact O-N 3.15Å; V176-D179 VanDerWaalsContact O-O 3.09Å; D179-V181 VanDerWaalsContact C-N 3.33Å; D179-V181 PolarHBondContact O-N 2.96Å; D179-V181 PolarHBondContact OD1-N 2.97Å; D179-S182 VanDerWaalsContact OD2-CB 3.25Å; D179-S182 WeakPolarHBondContact OD2-CB 3.47Å; D179-S182 PolarHBondContact OD2-OG 3Å
180A93.9Very high95.9Very high96 Ų9634.5 Ų34.579%0.79318%0.184SC*.THydrogen-bonded Turntrans-75-21.8-176.500000113.6
181V94.4Very high95.9Very high31 Ų3130.3 Ų30.319%0.18816%0.164CC..THydrogen-bonded Turntrans-110.711.6-174.6-64.90000113.8G8 R27 T142 D179G8-V181 WeakPolarHBondContact CA-O 3.49Å; R27-V181 WeakPolarHBondContact CD-O 3.43Å; R27-V181 PolarHBondContact NH1-O 2.78Å; T142-V181 HydrophobicContact CG2-CG2 4.16Å; D179-V181 VanDerWaalsContact C-N 3.33Å; D179-V181 PolarHBondContact O-N 2.96Å; D179-V181 PolarHBondContact OD1-N 2.97Å
182S94.7Very high95.8Very high10 Ų1032 Ų327%0.0717%0.173CC..SBendtrans-128.5159.6175.1-58.70000110.5G9 T142 D179G9-S182 WeakPolarHBondContact CA-OG 2.98Å; G9-S182 PolarHBondContact N-OG 3.04Å; T142-S182 PolarHBondContact OG1-OG 2.82Å; T142-S182 VanDerWaalsContact OG1-OG 3.05Å; D179-S182 VanDerWaalsContact OD2-CB 3.25Å; D179-S182 WeakPolarHBondContact OD2-CB 3.47Å; D179-S182 PolarHBondContact OD2-OG 3Å
183G93.9Very high95.6Very high6 Ų636.9 Ų36.96%0.06219%0.194CC..  trans123.5-133.9175.500000113.1D25 R26 R27 G185D25-G183 PolarHBondContact OD2-N 3.31Å; R26-G183 PolarHBondContact N-O 3.29Å; R27-G183 WeakPolarHBondContact CB-O 3.13Å; R27-G183 PolarHBondContact N-O 3.46Å; R27-G183 VanDerWaalsContact N-O 3.11Å; G183-G185 VanDerWaalsContact C-N 3.27Å; G183-G185 PolarHBondContact O-N 3.13Å; G183-G185 VanDerWaalsContact O-O 3.12Å
184M93.3Very high95.4Very high22 Ų2242.3 Ų42.311%0.10822%0.223CC..SBendtrans55.740.2-176.3-52.9-56.7-6600113.4R27 M34 T37 M205R27-M184 HydrophobicContact CB-CB 3.99Å; R27-M184 HydrophobicContact CB-CG 3.87Å; R27-M184 HydrophobicContact CG-CG 3.9Å; M34-M184 HydrophobicContact CE-CE 4.35Å; M34-M184 HydrophobicContact CG-CG 4.5Å; T37-M184 HydrophobicContact CG2-CB 3.79Å; T37-M184 HydrophobicContact CG2-CE 3.6Å; T37-M184 HydrophobicContact CG2-CG 4.21Å; M184-M205 HydrophobicContact CB-SD 4.49Å; M184-M205 HydrophobicContact CE-CB 4.09Å; M184-M205 HydrophobicContact CE-CE 3.92Å; M184-M205 HydrophobicContact CE-SD 4.13Å
185G93.4Very high95.3Very high7 Ų744.6 Ų44.67%0.07223%0.229CC..  trans101.5150.7-172.900000112.9D25 R26 G183D25-G185 WeakPolarHBondContact CA-O 3.46Å; R26-G185 PolarHBondContact N-O 3.22Å; G183-G185 VanDerWaalsContact C-N 3.27Å; G183-G185 PolarHBondContact O-N 3.13Å; G183-G185 VanDerWaalsContact O-O 3.12Å
186V96.9Very high95.3Very high0 Ų047.6 Ų47.60%024%0.244CC..EExtended strand (participates in β ladder)trans-128.1133.6176.3177.30000108.2A23 A24 M172 L173 V176 V188 T200 L201A23-V186 HydrophobicContact CB-CG1 4.41Å; A24-V186 WeakPolarHBondContact O-CA 3.31Å; M172-V186 HydrophobicContact CB-CG1 4.04Å; M172-V186 HydrophobicContact CE-CG1 4.3Å; M172-V186 HydrophobicContact CG-CG1 4.47Å; L173-V186 HydrophobicContact CD2-CG2 4.24Å; V176-V186 HydrophobicContact CG2-CG2 4.19Å; V186-V188 HydrophobicContact CG1-CG2 4.14Å; V186-T200 WeakPolarHBondContact O-CA 3.22Å; V186-L201 HydrophobicContact CB-CB 4.37Å; V186-L201 HydrophobicContact CB-CD1 4.14Å; V186-L201 HydrophobicContact CB-CG 4.48Å; V186-L201 HydrophobicContact CG1-CD1 4.06Å; V186-L201 PolarHBondContact O-N 2.8Å
187V97.4Very high95.3Very high23 Ų2348.9 Ų48.914%0.13925%0.253CS..EExtended strand (participates in β ladder)trans-105.9135.2170.465.10000109.1A23 A24 T198A23-V187 CarbonylContact C-O 3.55Å; A23-V187 WeakPolarHBondContact CA-O 3.44Å; A24-V187 PolarHBondContact N-O 2.81Å; A24-V187 PolarHBondContact O-N 3.1Å; V187-T198 HydrophobicContact CG2-CG2 3.97Å
188V97.9Very high95.4Very high0 Ų049 Ų490%026%0.256CS..EExtended strand (participates in β ladder)trans-124.1130.2178.8-175.10000108.6A23 F165 I168 V186 V190 T198 R199 L201A23-V188 HydrophobicContact CB-CB 4.48Å; A23-V188 HydrophobicContact CB-CG1 4.48Å; A23-V188 HydrophobicContact CB-CG2 3.94Å; F165-V188 HydrophobicContact CD2-CB 4.34Å; F165-V188 HydrophobicContact CD2-CG1 3.9Å; F165-V188 HydrophobicContact CE2-CB 4.06Å; F165-V188 HydrophobicContact CE2-CG1 4.13Å; F165-V188 HydrophobicContact CE2-CG2 4.4Å; I168-V188 HydrophobicContact CG2-CG1 3.61Å; V186-V188 HydrophobicContact CG1-CG2 4.14Å; V188-V190 HydrophobicContact CG1-CG2 4.23Å; V188-T198 WeakPolarHBondContact O-CA 3.37Å; V188-R199 PolarHBondContact N-O 3.02Å; V188-R199 PolarHBondContact O-N 3.36Å; V188-L201 HydrophobicContact CG2-CD1 3.89Å; V188-L201 HydrophobicContact CG2-CG 4.12Å
189H97.9Very high95.5Very high23 Ų2344.1 Ų44.111%0.10624%0.238CC..EExtended strand (participates in β ladder)trans-113.9117.4171.3-56-81.4000108.8A21 I22 T197 T198A21-H189 CarbonylContact C-O 3.49Å; A21-H189 VanDerWaalsContact CA-O 3.31Å; A21-H189 WeakPolarHBondContact CA-O 3.38Å; I22-H189 HydrophobicContact CG2-CB 3.85Å; I22-H189 PolarHBondContact N-O 3.32Å; I22-H189 PolarHBondContact O-N 3.37Å; H189-T197 WeakPolarHBondContact CA-O 3.49Å; H189-T198 WeakPolarHBondContact CE1-CG2 3.33Å; H189-T198 WeakPolarHBondContact ND1-CG2 3.44Å; H189-T198 PolarHBondContact ND1-OG1 3.2Å
190V97.6Very high95.6Very high3 Ų346.6 Ų46.62%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-100.5120.9171.3-174.20000107.7A21 P161 F165 V188 E192 I196 T197A21-V190 HydrophobicContact CB-CG2 4.33Å; P161-V190 HydrophobicContact CB-CG1 4.24Å; F165-V190 HydrophobicContact CB-CG2 4Å; F165-V190 HydrophobicContact CD2-CG2 3.99Å; F165-V190 HydrophobicContact CG-CG2 4.45Å; V188-V190 HydrophobicContact CG1-CG2 4.23Å; V190-E192 HydrophobicContact CG1-CG 4.29Å; V190-I196 CarbonylContact O-C 3.5Å; V190-I196 WeakPolarHBondContact O-CA 3.44Å; V190-T197 PolarHBondContact N-O 3.09Å; V190-T197 PolarHBondContact O-N 3.14Å
191I97.1Very high95.6Very high0 Ų043.3 Ų43.30%022%0.223CC..EExtended strand (participates in β ladder)trans-107111.7-175.3-53166.7000107.2C19 V20 R48 Y50 L113 I196C19-I191 VanDerWaalsContact CA-O 3.31Å; C19-I191 WeakPolarHBondContact CA-O 3.34Å; C19-I191 WeakPolarHBondContact CB-O 3.24Å; V20-I191 HydrophobicContact CG2-CB 3.77Å; V20-I191 HydrophobicContact CG2-CD1 3.88Å; V20-I191 HydrophobicContact CG2-CG1 4.28Å; V20-I191 HydrophobicContact CG2-CG2 4.4Å; V20-I191 PolarHBondContact N-O 2.71Å; V20-I191 VanDerWaalsContact N-O 3.07Å; V20-I191 PolarHBondContact O-N 2.95Å; R48-I191 HydrophobicContact CB-CG2 3.88Å; R48-I191 HydrophobicContact CG-CG2 4.39Å; Y50-I191 HydrophobicContact CD2-CD1 3.3Å; Y50-I191 HydrophobicContact CD2-CG1 4.04Å; Y50-I191 HydrophobicContact CE2-CD1 3.92Å; Y50-I191 HydrophobicContact CE2-CG1 4.16Å; Y50-I191 HydrophobicContact CG-CD1 4.08Å; L113-I191 HydrophobicContact CD1-CG2 4.18Å; L113-I191 HydrophobicContact CG-CG2 4.12Å; I191-I196 HydrophobicContact CG2-CG1 4.44Å
192E95.7Very high95.6Very high37 Ų3751.8 Ų51.817%0.17326%0.257CS..  trans-110175.2176.3-60.8167-117.400109.7C19 P161 V190 D194 K195C19-E192 HydrophobicContact CB-CG 4.23Å; P161-E192 HydrophobicContact CB-CG 4.01Å; P161-E192 HydrophobicContact CG-CG 3.99Å; V190-E192 HydrophobicContact CG1-CG 4.29Å; E192-D194 VanDerWaalsContact C-N 3.3Å; E192-D194 PolarHBondContact O-N 2.77Å; E192-K195 HydrophobicContact CB-CG 4.49Å; E192-K195 WeakPolarHBondContact CB-O 3.33Å; E192-K195 VanDerWaalsContact CD-CE 3.48Å; E192-K195 PolarHBondContact N-O 3.14Å; E192-K195 WeakPolarHBondContact OE1-CE 3.16Å; E192-K195 IonicContact OE1-NZ 2.72Å; E192-K195 VanDerWaalsContact OE2-CE 3.29Å; E192-K195 WeakPolarHBondContact OE2-CE 3.28Å
193K93.1Very high95.6Very high102 Ų10252.5 Ų52.544%0.44326%0.263SS..SBendtrans-64.9-33.5174.2-175.3-178.8172.5-179.60112.7R48 F118R48-K193 PolarHBondContact NH1-O 3.04Å; R48-K193 PolarHBondContact NH2-O 3.17Å; F118-K193 HydrophobicContact CB-CG 4.49Å; F118-K193 HydrophobicContact CD1-CG 4.07Å; F118-K193 HydrophobicContact CD2-CD 3.81Å; F118-K193 HydrophobicContact CD2-CG 4.07Å; F118-K193 HydrophobicContact CE1-CG 4.37Å; F118-K193 HydrophobicContact CE2-CD 4.17Å; F118-K193 VanDerWaalsContact CE2-CE 3.43Å; F118-K193 HydrophobicContact CE2-CG 4.33Å; F118-K193 HydrophobicContact CG-CD 4.07Å; F118-K193 HydrophobicContact CG-CG 3.9Å; F118-K193 HydrophobicContact CZ-CG 4.45Å
194D92.6Very high95.4Very high142 Ų14258.9 Ų58.976%0.75929%0.286SS*.SBendtrans-106.4-24.3-169.6-58.5-32.7000112.9E192E192-D194 VanDerWaalsContact C-N 3.3Å; E192-D194 PolarHBondContact O-N 2.77Å
195K94.3Very high95.4Very high121 Ų12163.4 Ų63.453%0.52631%0.308SS..  trans-150.5163.7-175.265.2-175.8-179.4-1750111.9E192E192-K195 HydrophobicContact CB-CG 4.49Å; E192-K195 WeakPolarHBondContact CB-O 3.33Å; E192-K195 VanDerWaalsContact CD-CE 3.48Å; E192-K195 PolarHBondContact N-O 3.14Å; E192-K195 WeakPolarHBondContact OE1-CE 3.16Å; E192-K195 IonicContact OE1-NZ 2.72Å; E192-K195 VanDerWaalsContact OE2-CE 3.29Å; E192-K195 WeakPolarHBondContact OE2-CE 3.28Å
196I96.1Very high95Very high63 Ų6370.5 Ų70.532%0.32335%0.345SS..EExtended strand (participates in β ladder)trans-117.4121.1167.6-59.6165.4000107.5D47 Y50 V190 I191D47-I196 WeakPolarHBondContact O-CD1 3.41Å; Y50-I196 HydrophobicContact CE2-CD1 3.96Å; Y50-I196 HydrophobicContact CE2-CG2 4.46Å; V190-I196 CarbonylContact O-C 3.5Å; V190-I196 WeakPolarHBondContact O-CA 3.44Å; I191-I196 HydrophobicContact CG2-CG1 4.44Å
197T96.3Very high94.9Very high31 Ų3174.1 Ų74.119%0.1936%0.362CS..EExtended strand (participates in β ladder)trans-101.1113.8178.9-56.20000108.6H189 V190 R199H189-T197 WeakPolarHBondContact CA-O 3.49Å; V190-T197 PolarHBondContact N-O 3.09Å; V190-T197 PolarHBondContact O-N 3.14Å; T197-R199 HydrophobicContact CG2-CG 4.06Å
198T97.3Very high94.8Very high77 Ų7776.7 Ų76.747%0.47237%0.373SS..EExtended strand (participates in β ladder)trans-104.5124.6174.4-58.90000109.6V187 V188 H189V187-T198 HydrophobicContact CG2-CG2 3.97Å; V188-T198 WeakPolarHBondContact O-CA 3.37Å; H189-T198 WeakPolarHBondContact CE1-CG2 3.33Å; H189-T198 WeakPolarHBondContact ND1-CG2 3.44Å; H189-T198 PolarHBondContact ND1-OG1 3.2Å
199R96.6Very high94.6Very high103 Ų10381 Ų8139%0.38939%0.394SS..EExtended strand (participates in β ladder)trans-130.2139.2179-68.4174.5-178.2177.63109.5F165 V188 T197F165-R199 HydrophobicContact CE2-CB 3.71Å; F165-R199 HydrophobicContact CE2-CG 4.12Å; F165-R199 HydrophobicContact CZ-CB 4Å; F165-R199 HydrophobicContact CZ-CG 4.3Å; V188-R199 PolarHBondContact N-O 3.02Å; V188-R199 PolarHBondContact O-N 3.36Å; T197-R199 HydrophobicContact CG2-CG 4.06Å
200T96.3Very high94.4Very high82 Ų8284.4 Ų84.450%0.50341%0.411SS..EExtended strand (participates in β ladder)trans-103.7126.1169.4-58.30000108R26 V186R26-T200 PolarHBondContact NH1-OG1 3.2Å; V186-T200 WeakPolarHBondContact O-CA 3.22Å
201L94.6Very high94.2Very high26 Ų2689.5 Ų89.514%0.13644%0.436CS..EExtended strand (participates in β ladder)trans-82.9145.7-178.5-55.9179000110.6F165 S169 L173 V186 V188 A203F165-L201 HydrophobicContact CE2-CD2 4.07Å; F165-L201 HydrophobicContact CZ-CD2 3.6Å; S169-L201 VanDerWaalsContact CB-CD1 3.49Å; S169-L201 WeakPolarHBondContact OG-CD1 3.4Å; L173-L201 HydrophobicContact CD1-CD1 4.07Å; L173-L201 HydrophobicContact CD2-CB 4.32Å; L173-L201 HydrophobicContact CD2-CD1 4.34Å; L173-L201 HydrophobicContact CG-CD1 4Å; V186-L201 HydrophobicContact CB-CB 4.37Å; V186-L201 HydrophobicContact CB-CD1 4.14Å; V186-L201 HydrophobicContact CB-CG 4.48Å; V186-L201 HydrophobicContact CG1-CD1 4.06Å; V186-L201 PolarHBondContact O-N 2.8Å; V188-L201 HydrophobicContact CG2-CD1 3.89Å; V188-L201 HydrophobicContact CG2-CG 4.12Å; L201-A203 PolarHBondContact O-N 2.83Å; L201-A203 VanDerWaalsContact O-N 3.16Å
202K93.9Very high94Very high210 Ų21095.5 Ų95.591%0.91347%0.465SS*.  trans-74.4102.2167.1-174.6-176.2179.1-175.30108
203A94.6Very high93.9Very high24 Ų2499.6 Ų99.620%0.19849%0.486CS..  trans-109.2175.8179.400000111.5L173 L201L173-A203 HydrophobicContact CD2-CB 3.59Å; L201-A203 PolarHBondContact O-N 2.83Å; L201-A203 VanDerWaalsContact O-N 3.16Å
204R91.2Very high93.9Very high140 Ų14099.5 Ų99.553%0.52849%0.489SS..  trans-67.6153.5169.3-56.2178.965.3125.6-2110.9D177 D206D177-R204 WeakPolarHBondContact OD1-CD 3.47Å; D177-R204 WeakPolarHBondContact OD2-CD 3.35Å; R204-D206 WeakPolarHBondContact CB-OD1 3.49Å; R204-D206 IonicContact CZ-OD2 2.57Å; R204-D206 IonicContact NE-OD1 3.36Å; R204-D206 PolarHBondContact NE-OD1 3.11Å; R204-D206 IonicContact NE-OD2 2.7Å; R204-D206 PolarHBondContact NE-OD2 3.33Å; R204-D206 IonicContact NH2-OD2 2.94Å; R204-D206 PolarHBondContact NH2-OD2 3.06Å
205M93Very high94.1Very high117 Ų11795.9 Ų95.958%0.57647%0.466SS*.  trans-129.739.9-176.4-61.5-67.7-78.200110.1T37 M184T37-M205 HydrophobicContact CG2-CE 4.21Å; M184-M205 HydrophobicContact CB-SD 4.49Å; M184-M205 HydrophobicContact CE-CB 4.09Å; M184-M205 HydrophobicContact CE-CE 3.92Å; M184-M205 HydrophobicContact CE-SD 4.13Å
206D84.6Confident94Very high157 Ų15793.6 Ų93.684%0.8446%0.461SS*.  trans-1010-177.851.5-22.3000114.2R204R204-D206 WeakPolarHBondContact CB-OD1 3.49Å; R204-D206 IonicContact CZ-OD2 2.57Å; R204-D206 IonicContact NE-OD1 3.36Å; R204-D206 PolarHBondContact NE-OD1 3.11Å; R204-D206 IonicContact NE-OD2 2.7Å; R204-D206 PolarHBondContact NE-OD2 3.33Å; R204-D206 IonicContact NH2-OD2 2.94Å; R204-D206 PolarHBondContact NH2-OD2 3.06Å

Retrieved 206 of 206 residues in 331.1 ms (Link to these results)

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