A0A077ZJT6_TRITR Loading...

DUF778 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJT6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 162 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
1M35Very low50.4Low246 Ų246119.7 Ų119.7100%1.21271%0.712SS**  01240-74.8155100.900106.4S3M1-S3 PolarHBondContact O-N 3.46Å
2S35.7Very low54Low116 Ų116113 Ų11381%0.81167%0.669SS**  trans-53124.9-156.7-160.50000114.1S4S2-S4 PolarHBondContact O-N 3.12Å; S2-S4 VanDerWaalsContact O-N 3.12Å
3S33.5Very low57.1Low107 Ų107108.4 Ų108.475%0.74864%0.639SS**  trans-56114.7155.6-57.10000106.7M1 D5M1-S3 PolarHBondContact O-N 3.46Å; S3-D5 PolarHBondContact O-N 2.71Å
4S36.8Very low59.6Low103 Ų103103.9 Ų103.972%0.7261%0.613SS**  trans-50.6119.1166.544.60000108.2S2 A6S2-S4 PolarHBondContact O-N 3.12Å; S2-S4 VanDerWaalsContact O-N 3.12Å; S4-A6 PolarHBondContact O-N 3.17Å
5D40.3Very low61.7Low138 Ų138113.1 Ų113.174%0.73863%0.633SS**  trans-55.885.6158.4-70.1-41.3000106.9S3 F7S3-D5 PolarHBondContact O-N 2.71Å; D5-F7 HydrophobicContact CB-CD2 4.11Å; D5-F7 HydrophobicContact CB-CE2 4.21Å; D5-F7 PolarHBondContact O-N 2.8Å
6A41.8Very low63.6Low79 Ų79117.6 Ų117.665%0.65364%0.637SS**  trans-64.486.3157.800000104S4 V8S4-A6 PolarHBondContact O-N 3.17Å; A6-V8 WeakPolarHBondContact O-CG2 3.43Å; A6-V8 PolarHBondContact O-N 2.85Å
7F52.5Low65.4Low128 Ų128112 Ų11256%0.56161%0.609SS**  trans-45.1107173.8-97.3-98000106.9D5 S9 L77D5-F7 HydrophobicContact CB-CD2 4.11Å; D5-F7 HydrophobicContact CB-CE2 4.21Å; D5-F7 PolarHBondContact O-N 2.8Å; F7-S9 PolarHBondContact O-N 2.93Å; F7-L77 HydrophobicContact CB-CD1 4.48Å
8V51.6Low67.1Low133 Ų133109.7 Ų109.781%0.80659%0.59SS**  trans-70.999.7-172.8176.30000106.2A6 E10A6-V8 WeakPolarHBondContact O-CG2 3.43Å; A6-V8 PolarHBondContact O-N 2.85Å; V8-E10 PolarHBondContact O-N 2.86Å
9S62Low68.6Low37 Ų37104.1 Ų104.126%0.25956%0.559SS.*PPolyproline II helixtrans-54.3126.1168.4-1790000108.5F7 Q74F7-S9 PolarHBondContact O-N 2.93Å; S9-Q74 VanDerWaalsContact OG-CD 3.25Å; S9-Q74 PolarHBondContact OG-NE2 3.49Å
10E76.4Confident70Confident125 Ų12599 Ų9958%0.58453%0.532SS*.PPolyproline II helixtrans-52.1146.5176-75.2-161.4169.600110.9V8 P20 Q74V8-E10 PolarHBondContact O-N 2.86Å; E10-P20 HydrophobicContact CB-CB 3.89Å; E10-P20 HydrophobicContact CB-CG 3.73Å; E10-P20 WeakPolarHBondContact O-CG 3.28Å; E10-Q74 PolarHBondContact O-NE2 2.87Å
11S88.6Confident71.2Confident105 Ų10594.3 Ų94.373%0.73451%0.507SS*.PPolyproline II helixtrans-70.4135.5-178.558.10000110.9D13S11-D13 PolarHBondContact O-N 2.89Å
12I94.3Very high74.1Confident39 Ų3982.6 Ų82.620%0.245%0.449CS..PPolyproline II helixtrans-64.8128.7174.1-64172000110.1V14 R18 F19 Y72 Q74I12-V14 HydrophobicContact CG2-CG2 3.93Å; I12-R18 WeakPolarHBondContact CG2-O 3.5Å; I12-F19 HydrophobicContact CD1-CD1 4.33Å; I12-F19 HydrophobicContact CG1-CD1 4.5Å; I12-F19 HydrophobicContact CG2-CD1 3.54Å; I12-F19 HydrophobicContact CG2-CE1 3.63Å; I12-F19 HydrophobicContact CG2-CG 4.23Å; I12-F19 HydrophobicContact CG2-CZ 4.4Å; I12-Y72 HydrophobicContact CD1-CD2 3.47Å; I12-Y72 VanDerWaalsContact CD1-CD2 3.47Å; I12-Y72 HydrophobicContact CD1-CE2 3.15Å; I12-Y72 HydrophobicContact CD1-CG 4.33Å; I12-Q74 HydrophobicContact CD1-CB 4.38Å
13D94.1Very high77.1Confident53 Ų5377.1 Ų77.128%0.28341%0.411SS..BIsolated β-bridgetrans-110.492.1170.4-175.6-11.1000109.7S11 R15 R16 C17 R18S11-D13 PolarHBondContact O-N 2.89Å; D13-R15 PolarHBondContact O-N 3.49Å; D13-R15 WeakPolarHBondContact OD1-CB 3.42Å; D13-R15 PolarHBondContact OD1-N 2.86Å; D13-R16 HydrophobicContact CB-CB 4.43Å; D13-R16 PolarHBondContact O-N 2.76Å; D13-R16 PolarHBondContact OD1-N 3.44Å; D13-R16 VanDerWaalsContact OD2-CD 3.23Å; D13-R16 WeakPolarHBondContact OD2-CD 3.15Å; D13-R16 WeakPolarHBondContact OD2-CG 3.45Å; D13-R16 IonicContact OD2-NE 3.36Å; D13-C17 PolarHBondContact O-N 2.92Å; D13-C17 VanDerWaalsContact O-N 3.13Å; D13-R18 HydrophobicContact CB-CB 4.24Å; D13-R18 PolarHBondContact N-O 2.76Å; D13-R18 PolarHBondContact O-N 3.14Å
14V92.4Very high80.1Confident45 Ų4572 Ų7227%0.27338%0.375SS..G310 helixtrans-60-32.6179175.90000112.1I12 R16 C17 F19 V152I12-V14 HydrophobicContact CG2-CG2 3.93Å; V14-R16 VanDerWaalsContact C-N 3.31Å; V14-R16 PolarHBondContact O-N 2.84Å; V14-C17 PolarHBondContact O-N 3.17Å; V14-F19 HydrophobicContact CG2-CE1 4.46Å; V14-F19 HydrophobicContact CG2-CZ 4.36Å; V14-V152 HydrophobicContact CB-CG1 4.25Å; V14-V152 HydrophobicContact CG1-CG1 3.32Å; V14-V152 HydrophobicContact CG2-CG1 3.88Å
15R91.2Very high82.9Confident243 Ų24367.2 Ų67.292%0.91734%0.341SS*.G310 helixtrans-70.8-32.4-176.7-64.2-174.5-176.4-162.32.1111.8D13D13-R15 PolarHBondContact O-N 3.49Å; D13-R15 WeakPolarHBondContact OD1-CB 3.42Å; D13-R15 PolarHBondContact OD1-N 2.86Å
16R92.2Very high85.4Confident185 Ų18560.6 Ų60.670%0.69831%0.306SS*.G310 helixtrans-96.38.5176.1-64.3-175.3177.5171.4-2.1112.9D13 V14 R18D13-R16 HydrophobicContact CB-CB 4.43Å; D13-R16 PolarHBondContact O-N 2.76Å; D13-R16 PolarHBondContact OD1-N 3.44Å; D13-R16 VanDerWaalsContact OD2-CD 3.23Å; D13-R16 WeakPolarHBondContact OD2-CD 3.15Å; D13-R16 WeakPolarHBondContact OD2-CG 3.45Å; D13-R16 IonicContact OD2-NE 3.36Å; V14-R16 VanDerWaalsContact C-N 3.31Å; V14-R16 PolarHBondContact O-N 2.84Å; R16-R18 HydrophobicContact CB-CG 3.96Å; R16-R18 PolarHBondContact O-N 3.12Å; R16-R18 PolarHBondContact O-NH1 2.99Å
17C93.6Very high87.8Confident22 Ų2257.9 Ų57.915%0.14928%0.281CS..THydrogen-bonded Turntrans51.140.4-174-154.70000112.8D13 V14 F19D13-C17 PolarHBondContact O-N 2.92Å; D13-C17 VanDerWaalsContact O-N 3.13Å; V14-C17 PolarHBondContact O-N 3.17Å; C17-F19 HydrophobicContact CB-CE2 4.5Å
18R95.9Very high89.5Confident71 Ų7153.3 Ų53.327%0.26826%0.262SS..BIsolated β-bridgetrans-103.6114.8178.2-63.3-65.9178.1-100.216.4110.1I12 D13 R16 P20 S47 G48 D62I12-R18 WeakPolarHBondContact CG2-O 3.5Å; D13-R18 HydrophobicContact CB-CB 4.24Å; D13-R18 PolarHBondContact N-O 2.76Å; D13-R18 PolarHBondContact O-N 3.14Å; R16-R18 HydrophobicContact CB-CG 3.96Å; R16-R18 PolarHBondContact O-N 3.12Å; R16-R18 PolarHBondContact O-NH1 2.99Å; R18-P20 VanDerWaalsContact C-CD 3.45Å; R18-P20 WeakPolarHBondContact O-CD 3.41Å; R18-S47 WeakPolarHBondContact CD-O 3.29Å; R18-G48 WeakPolarHBondContact CA-O 3.18Å; R18-D62 IonicContact CZ-OD1 3.22Å; R18-D62 IonicContact CZ-OD2 3.59Å; R18-D62 VanDerWaalsContact CZ-OD2 3.31Å; R18-D62 IonicContact NH1-OD1 3.63Å; R18-D62 PolarHBondContact NH1-OD1 3.13Å; R18-D62 IonicContact NH1-OD2 3.81Å; R18-D62 PolarHBondContact NH1-OD2 3.03Å; R18-D62 IonicContact NH2-OD1 2.71Å; R18-D62 IonicContact NH2-OD2 3.47Å; R18-D62 PolarHBondContact NH2-OD2 3.49Å
19F96.5Very high91.1Very high3 Ų351 Ų511%0.01325%0.25CS..  trans-123.764.9-174.8-69.2-92.1000111.2I12 V14 C17 H21 C22 V24 A44 G48 I50 P69 Y72 V152I12-F19 HydrophobicContact CD1-CD1 4.33Å; I12-F19 HydrophobicContact CG1-CD1 4.5Å; I12-F19 HydrophobicContact CG2-CD1 3.54Å; I12-F19 HydrophobicContact CG2-CE1 3.63Å; I12-F19 HydrophobicContact CG2-CG 4.23Å; I12-F19 HydrophobicContact CG2-CZ 4.4Å; V14-F19 HydrophobicContact CG2-CE1 4.46Å; V14-F19 HydrophobicContact CG2-CZ 4.36Å; C17-F19 HydrophobicContact CB-CE2 4.5Å; F19-H21 PolarHBondContact O-N 3.03Å; F19-C22 HydrophobicContact CB-CB 3.69Å; F19-C22 WeakPolarHBondContact O-CB 3.41Å; F19-C22 PolarHBondContact O-N 3.02Å; F19-C22 PolarHBondContact O-SG 2.82Å; F19-C22 VanDerWaalsContact O-SG 3.4Å; F19-V24 HydrophobicContact CB-CG1 3.96Å; F19-V24 HydrophobicContact CD1-CG1 4.23Å; F19-V24 HydrophobicContact CD2-CG1 4.4Å; F19-V24 HydrophobicContact CG-CG1 3.96Å; F19-A44 HydrophobicContact CB-CB 4.35Å; F19-A44 WeakPolarHBondContact O-CB 3.37Å; F19-G48 PolarHBondContact N-O 3.4Å; F19-I50 HydrophobicContact CD2-CD1 3.8Å; F19-I50 HydrophobicContact CE2-CD1 4.41Å; F19-P69 HydrophobicContact CD2-CG 4.07Å; F19-P69 HydrophobicContact CE1-CB 4.41Å; F19-P69 HydrophobicContact CE2-CB 4.05Å; F19-P69 HydrophobicContact CE2-CG 3.67Å; F19-P69 HydrophobicContact CZ-CB 3.92Å; F19-P69 HydrophobicContact CZ-CG 4.08Å; F19-Y72 HydrophobicContact CD1-CD1 4.41Å; F19-Y72 HydrophobicContact CD1-CG 4.16Å; F19-Y72 HydrophobicContact CE1-CD1 4.03Å; F19-Y72 HydrophobicContact CE1-CG 4.24Å; F19-V152 HydrophobicContact CE1-CG2 3.83Å; F19-V152 HydrophobicContact CZ-CG1 4.19Å; F19-V152 HydrophobicContact CZ-CG2 3.92Å
20P95.7Very high92.1Very high2 Ų254.5 Ų54.51%0.01327%0.265CS..THydrogen-bonded Turntrans-53.1129.3-174.923.4-35.5000111.8E10 R18 C22 L45 S46 Q74E10-P20 HydrophobicContact CB-CB 3.89Å; E10-P20 HydrophobicContact CB-CG 3.73Å; E10-P20 WeakPolarHBondContact O-CG 3.28Å; R18-P20 VanDerWaalsContact C-CD 3.45Å; R18-P20 WeakPolarHBondContact O-CD 3.41Å; P20-C22 PolarHBondContact O-N 3.09Å; P20-C22 PolarHBondContact O-SG 3.26Å; P20-C22 VanDerWaalsContact O-SG 3.35Å; P20-L45 WeakPolarHBondContact CA-O 3.37Å; P20-S46 VanDerWaalsContact CB-O 3.24Å; P20-S46 WeakPolarHBondContact CB-O 3.41Å; P20-Q74 PolarHBondContact O-NE2 3.46Å; P20-Q74 VanDerWaalsContact O-NE2 3.09Å
21H95.1Very high92.6Very high1 Ų152 Ų521%0.00526%0.255CS..THydrogen-bonded Turntrans57.725.9-178.8-46.8119.9000114.7F19 L45 S46 C75 E84 W87F19-H21 PolarHBondContact O-N 3.03Å; H21-L45 PolarHBondContact N-O 2.9Å; H21-S46 VanDerWaalsContact NE2-CA 3.31Å; H21-S46 WeakPolarHBondContact NE2-CA 3.4Å; H21-S46 VanDerWaalsContact NE2-CB 3.26Å; H21-S46 WeakPolarHBondContact NE2-CB 3.48Å; H21-C75 VanDerWaalsContact O-CB 3.29Å; H21-C75 WeakPolarHBondContact O-CB 3.45Å; H21-C75 PolarHBondContact O-N 3.08Å; H21-E84 IonicContact CE1-OE1 2.76Å; H21-E84 PolarHBondContact CE1-OE1 2.91Å; H21-E84 IonicContact NE2-OE1 2.89Å; H21-W87 HydrophobicContact CB-CZ2 4.42Å; H21-W87 AromaticContact CD2-CD1 3.71Å; H21-W87 AromaticContact CD2-CG 3.95Å; H21-W87 AromaticContact CD2-NE1 3.91Å
22C97.1Very high92.6Very high0 Ų047 Ų470%022%0.22CC..EExtended strand (participates in β ladder)trans-98.4145.7-178.1-64.40000113.1F19 P20 V24 I43 A44 I73F19-C22 HydrophobicContact CB-CB 3.69Å; F19-C22 WeakPolarHBondContact O-CB 3.41Å; F19-C22 PolarHBondContact O-N 3.02Å; F19-C22 PolarHBondContact O-SG 2.82Å; F19-C22 VanDerWaalsContact O-SG 3.4Å; P20-C22 PolarHBondContact O-N 3.09Å; P20-C22 PolarHBondContact O-SG 3.26Å; P20-C22 VanDerWaalsContact O-SG 3.35Å; C22-V24 HydrophobicContact CB-CG1 4.13Å; C22-I43 WeakPolarHBondContact O-CA 3.28Å; C22-A44 PolarHBondContact O-N 3.2Å; C22-I73 CarbonylContact C-O 3.56Å; C22-I73 WeakPolarHBondContact CA-O 3.23Å
23I97.8Very high92.2Very high0 Ų050.7 Ų50.70%023%0.232CC..EExtended strand (participates in β ladder)trans-89.1126151.7-60.4163.2000106.3G42 I43 Y72 I73 V121 L125 L141 W144 V145I23-G42 CarbonylContact C-O 3.54Å; I23-G42 WeakPolarHBondContact CA-O 3.44Å; I23-I43 HydrophobicContact CG1-CG1 4.48Å; I23-Y72 CarbonylContact O-C 3.57Å; I23-Y72 WeakPolarHBondContact O-CA 3.22Å; I23-I73 PolarHBondContact N-O 3.14Å; I23-I73 PolarHBondContact O-N 3.46Å; I23-V121 HydrophobicContact CD1-CG1 4.31Å; I23-V121 HydrophobicContact CG1-CG1 4.13Å; I23-V121 HydrophobicContact CG2-CG1 4.25Å; I23-L125 HydrophobicContact CD1-CD1 3.97Å; I23-L125 HydrophobicContact CD1-CD2 4.25Å; I23-L141 HydrophobicContact CD1-CD1 3.93Å; I23-L141 HydrophobicContact CG2-CD1 4.28Å; I23-W144 HydrophobicContact CD1-CE3 4.08Å; I23-W144 HydrophobicContact CD1-CH2 4.01Å; I23-W144 HydrophobicContact CD1-CZ3 3.4Å; I23-V145 HydrophobicContact CG2-CG2 3.78Å
24V96.9Very high91.8Very high0 Ų055.9 Ų55.90%025%0.252CS..EExtended strand (participates in β ladder)trans-110.9154.5-179.7-65.90000110.6F19 C22 V41 G42 I50 M64 P69 R71F19-V24 HydrophobicContact CB-CG1 3.96Å; F19-V24 HydrophobicContact CD1-CG1 4.23Å; F19-V24 HydrophobicContact CD2-CG1 4.4Å; F19-V24 HydrophobicContact CG-CG1 3.96Å; C22-V24 HydrophobicContact CB-CG1 4.13Å; V24-V41 WeakPolarHBondContact O-CA 3.32Å; V24-G42 PolarHBondContact N-O 3.19Å; V24-G42 PolarHBondContact O-N 2.94Å; V24-I50 HydrophobicContact CG1-CD1 4.18Å; V24-I50 HydrophobicContact CG1-CG1 4.33Å; V24-I50 HydrophobicContact CG2-CD1 4.08Å; V24-I50 HydrophobicContact CG2-CG1 4.06Å; V24-I50 HydrophobicContact CG2-CG2 3.6Å; V24-M64 HydrophobicContact CB-SD 4.36Å; V24-M64 HydrophobicContact CG2-CE 3.97Å; V24-M64 HydrophobicContact CG2-SD 3.58Å; V24-M64 VanDerWaalsContact CG2-SD 3.58Å; V24-P69 HydrophobicContact CB-CB 3.9Å; V24-P69 HydrophobicContact CB-CG 3.84Å; V24-P69 HydrophobicContact CG1-CB 3.98Å; V24-P69 HydrophobicContact CG1-CG 3.84Å; V24-P69 HydrophobicContact CG2-CG 4.23Å; V24-R71 CarbonylContact C-O 3.49Å; V24-R71 WeakPolarHBondContact CA-O 3.48Å
25W95.9Very high91.6Very high2 Ų257 Ų571%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-143.6141.6-178.9179103.1000111.4P27 T32 G39 H40 V41 Y70 R71 V145 I160W25-P27 HydrophobicContact CH2-CB 4.04Å; W25-P27 HydrophobicContact CZ3-CB 4.35Å; W25-T32 HydrophobicContact CH2-CG2 3.67Å; W25-T32 HydrophobicContact CZ2-CG2 3.76Å; W25-G39 VanDerWaalsContact NE1-CA 3.28Å; W25-H40 CarbonylContact C-O 3.35Å; W25-H40 VanDerWaalsContact CA-O 3.23Å; W25-H40 WeakPolarHBondContact CA-O 3.23Å; W25-V41 HydrophobicContact CB-CG1 4.24Å; W25-V41 HydrophobicContact CG-CG1 4.28Å; W25-Y70 PolarHBondContact O-N 2.87Å; W25-R71 HydrophobicContact CB-CB 4.3Å; W25-R71 HydrophobicContact CE3-CB 4.22Å; W25-R71 HydrophobicContact CE3-CG 4.14Å; W25-R71 PolarHBondContact N-O 3.24Å; W25-R71 PolarHBondContact O-N 3.28Å; W25-V145 HydrophobicContact CB-CG1 3.39Å; W25-V145 HydrophobicContact CG-CG1 3.58Å; W25-I160 HydrophobicContact CH2-CD1 4.43Å
26T92.6Very high91.4Very high0 Ų047.6 Ų47.60%023%0.227CC..EExtended strand (participates in β ladder)trans-139.7144.2177.3-161.50000109.9G39 H40 M64 F66 E68T26-G39 CarbonylContact O-C 3.49Å; T26-H40 HydrophobicContact CG2-CB 3.87Å; T26-H40 PolarHBondContact N-O 3.17Å; T26-H40 PolarHBondContact O-N 3.43Å; T26-M64 HydrophobicContact CG2-CE 3.77Å; T26-F66 HydrophobicContact CG2-CB 4.04Å; T26-E68 PolarHBondContact OG1-O 3.19Å
27P91Very high91.1Very high21 Ų2141.9 Ų41.914%0.13621%0.207CC..PPolyproline II helixtrans-63.6141.7179.526.4-34.7000111.6W25 T32 Y70W25-P27 HydrophobicContact CH2-CB 4.04Å; W25-P27 HydrophobicContact CZ3-CB 4.35Å; P27-T32 HydrophobicContact CB-CG2 3.85Å; P27-Y70 HydrophobicContact CG-CD1 4.01Å; P27-Y70 HydrophobicContact CG-CE1 4.07Å; P27-Y70 HydrophobicContact CG-CG 4.36Å
28I88.7Confident90.9Very high32 Ų3242.6 Ų42.616%0.16421%0.211CC..PPolyproline II helixtrans-87.3124.3168-65.3167.9000107.1I30 L31 T32 G39 H40 F66I28-I30 PolarHBondContact O-N 3.26Å; I28-L31 HydrophobicContact CB-CB 4.18Å; I28-L31 HydrophobicContact CB-CD2 4.4Å; I28-L31 HydrophobicContact CD1-CD2 4.09Å; I28-L31 HydrophobicContact CG2-CB 3.9Å; I28-L31 HydrophobicContact CG2-CD2 4.23Å; I28-L31 PolarHBondContact O-N 3.01Å; I28-T32 PolarHBondContact N-OG1 3.37Å; I28-T32 PolarHBondContact O-N 3.27Å; I28-T32 VanDerWaalsContact O-N 3.08Å; I28-T32 PolarHBondContact O-OG1 3.18Å; I28-G39 VanDerWaalsContact CD1-C 3.44Å; I28-G39 WeakPolarHBondContact CD1-O 3.38Å; I28-H40 HydrophobicContact CD1-CB 4.24Å; I28-H40 HydrophobicContact CG1-CB 3.85Å; I28-F66 HydrophobicContact CD1-CE2 4.48Å; I28-F66 HydrophobicContact CD1-CZ 4.47Å; I28-F66 HydrophobicContact CG1-CD2 4.29Å; I28-F66 HydrophobicContact CG1-CE1 4.34Å; I28-F66 HydrophobicContact CG1-CE2 3.99Å; I28-F66 HydrophobicContact CG1-CZ 4.01Å; I28-F66 HydrophobicContact CG2-CD1 4.49Å; I28-F66 HydrophobicContact CG2-CE1 3.94Å; I28-F66 HydrophobicContact CG2-CZ 4.18Å
29P84.4Confident90.7Very high85 Ų8539.3 Ų39.355%0.55220%0.198SC*.THydrogen-bonded Turntrans-49.5134.7-179.4-2935.3000112.2L31 F66P29-L31 PolarHBondContact O-N 3.5Å; P29-F66 HydrophobicContact CG-CD1 4.4Å
30I84.5Confident90.5Very high111 Ų11139.4 Ų39.457%0.56920%0.199SC*.THydrogen-bonded Turntrans68.3-46.9-178.6-51.9170.4000113.7I28 W33 F34I28-I30 PolarHBondContact O-N 3.26Å; I30-W33 WeakPolarHBondContact O-CB 3.39Å; I30-W33 PolarHBondContact O-N 3.04Å; I30-F34 HydrophobicContact CG2-CE2 4.06Å; I30-F34 VanDerWaalsContact O-CD2 3.31Å; I30-F34 WeakPolarHBondContact O-CD2 3.14Å
31L86.3Confident90.5Very high72 Ų7239.3 Ų39.338%0.37720%0.198SC..Hα-helixtrans-63.6-47.5-176.3179.962.6000112.2I28 P29 W33 F34 L35 V38I28-L31 HydrophobicContact CB-CB 4.18Å; I28-L31 HydrophobicContact CB-CD2 4.4Å; I28-L31 HydrophobicContact CD1-CD2 4.09Å; I28-L31 HydrophobicContact CG2-CB 3.9Å; I28-L31 HydrophobicContact CG2-CD2 4.23Å; I28-L31 PolarHBondContact O-N 3.01Å; P29-L31 PolarHBondContact O-N 3.5Å; L31-W33 PolarHBondContact O-N 3.46Å; L31-F34 PolarHBondContact O-N 3.2Å; L31-F34 VanDerWaalsContact O-N 3.15Å; L31-L35 HydrophobicContact CD1-CD1 4.25Å; L31-L35 PolarHBondContact O-N 2.8Å; L31-V38 HydrophobicContact CD2-CG1 3.85Å; L31-V38 HydrophobicContact CG-CG1 4.35Å
32T87.8Confident90.6Very high0 Ų039.2 Ų39.20%020%0.198CC..Hα-helixtrans-66.7-18-178.1-56.50000112.4W25 P27 I28 L35 P36 V38 I160W25-T32 HydrophobicContact CH2-CG2 3.67Å; W25-T32 HydrophobicContact CZ2-CG2 3.76Å; P27-T32 HydrophobicContact CB-CG2 3.85Å; I28-T32 PolarHBondContact N-OG1 3.37Å; I28-T32 PolarHBondContact O-N 3.27Å; I28-T32 VanDerWaalsContact O-N 3.08Å; I28-T32 PolarHBondContact O-OG1 3.18Å; T32-L35 CarbonylContact O-C 3.53Å; T32-P36 VanDerWaalsContact O-CA 3.25Å; T32-P36 WeakPolarHBondContact O-CA 3.37Å; T32-V38 WeakPolarHBondContact CB-O 3.49Å; T32-V38 WeakPolarHBondContact CG2-O 3.19Å; T32-V38 PolarHBondContact OG1-O 3.44Å; T32-I160 HydrophobicContact CG2-CG2 4.1Å
33W85.7Confident90.6Very high117 Ų11739.2 Ų39.244%0.44320%0.198SC..Hα-helixtrans-66.1-39.7174.8-624.4000111.5I30 L31 I160I30-W33 WeakPolarHBondContact O-CB 3.39Å; I30-W33 PolarHBondContact O-N 3.04Å; L31-W33 PolarHBondContact O-N 3.46Å; W33-I160 PolarHBondContact NE1-O 2.9Å
34F87Confident90.6Very high161 Ų16139.2 Ų39.271%0.70620%0.198SC*.Hα-helixtrans-85.1-31.6177.8-62.6-78.2000112.4I30 L31I30-F34 HydrophobicContact CG2-CE2 4.06Å; I30-F34 VanDerWaalsContact O-CD2 3.31Å; I30-F34 WeakPolarHBondContact O-CD2 3.14Å; L31-F34 PolarHBondContact O-N 3.2Å; L31-F34 VanDerWaalsContact O-N 3.15Å
35L88.6Confident90.5Very high70 Ų7039.9 Ų39.937%0.36620%0.201SC..  trans-128.882.9-177.2-62.3176.3000109.8L31 T32 F37 V38L31-L35 HydrophobicContact CD1-CD1 4.25Å; L31-L35 PolarHBondContact O-N 2.8Å; T32-L35 CarbonylContact O-C 3.53Å; L35-F37 HydrophobicContact CB-CE2 4.46Å; L35-F37 HydrophobicContact CB-CZ 4.45Å; L35-F37 HydrophobicContact CD2-CE2 4.33Å; L35-F37 HydrophobicContact CD2-CZ 3.82Å; L35-F37 PolarHBondContact O-N 3.41Å; L35-V38 HydrophobicContact CB-CB 3.93Å; L35-V38 HydrophobicContact CB-CG2 3.84Å; L35-V38 HydrophobicContact CD1-CG2 4.11Å; L35-V38 PolarHBondContact O-N 2.9Å
36P85.3Confident90.4Very high45 Ų4541.3 Ų41.329%0.29221%0.212SC..THydrogen-bonded Turntrans-65.9-15.6-170.125.4-35.3000114.6T32 F146T32-P36 VanDerWaalsContact O-CA 3.25Å; T32-P36 WeakPolarHBondContact O-CA 3.37Å; P36-F146 HydrophobicContact CB-CE2 4.12Å; P36-F146 WeakPolarHBondContact O-CD2 3.34Å; P36-F146 WeakPolarHBondContact O-CE2 3.39Å
37F87.6Confident90.5Very high65 Ų6544 Ų4429%0.28523%0.23SC..THydrogen-bonded Turntrans-86-21.4173.344.9-91.9000112.8L35 C142 F143 F146L35-F37 HydrophobicContact CB-CE2 4.46Å; L35-F37 HydrophobicContact CB-CZ 4.45Å; L35-F37 HydrophobicContact CD2-CE2 4.33Å; L35-F37 HydrophobicContact CD2-CZ 3.82Å; L35-F37 PolarHBondContact O-N 3.41Å; F37-C142 VanDerWaalsContact C-SG 3.53Å; F37-C142 PolarHBondContact O-SG 2.71Å; F37-F143 HydrophobicContact CG-CE1 4.45Å; F37-F146 HydrophobicContact CB-CB 3.98Å; F37-F146 HydrophobicContact CB-CD1 4.3Å; F37-F146 HydrophobicContact CB-CD2 3.89Å; F37-F146 HydrophobicContact CB-CE2 4.45Å; F37-F146 HydrophobicContact CB-CG 3.79Å
38V89Confident90.7Very high37 Ų3743 Ų4322%0.22422%0.224CC..  trans-89.6119.8176.9-177.30000109L31 T32 L35L31-V38 HydrophobicContact CD2-CG1 3.85Å; L31-V38 HydrophobicContact CG-CG1 4.35Å; T32-V38 WeakPolarHBondContact CB-O 3.49Å; T32-V38 WeakPolarHBondContact CG2-O 3.19Å; T32-V38 PolarHBondContact OG1-O 3.44Å; L35-V38 HydrophobicContact CB-CB 3.93Å; L35-V38 HydrophobicContact CB-CG2 3.84Å; L35-V38 HydrophobicContact CD1-CG2 4.11Å; L35-V38 PolarHBondContact O-N 2.9Å
39G91.3Very high91.1Very high1 Ų143.8 Ų43.81%0.0123%0.228CC..  trans-148.7-162.9170.500000109.6W25 T26 I28 H118W25-G39 VanDerWaalsContact NE1-CA 3.28Å; T26-G39 CarbonylContact O-C 3.49Å; I28-G39 VanDerWaalsContact CD1-C 3.44Å; I28-G39 WeakPolarHBondContact CD1-O 3.38Å; G39-H118 PolarHBondContact O-CE1 2.88Å
40H93.2Very high91.7Very high5 Ų539.8 Ų39.82%0.02320%0.202CC..EExtended strand (participates in β ladder)trans-98.2137177.4-176.163.2000110W25 T26 I28 D52 F53 F66 C117W25-H40 CarbonylContact C-O 3.35Å; W25-H40 VanDerWaalsContact CA-O 3.23Å; W25-H40 WeakPolarHBondContact CA-O 3.23Å; T26-H40 HydrophobicContact CG2-CB 3.87Å; T26-H40 PolarHBondContact N-O 3.17Å; T26-H40 PolarHBondContact O-N 3.43Å; I28-H40 HydrophobicContact CD1-CB 4.24Å; I28-H40 HydrophobicContact CG1-CB 3.85Å; H40-D52 IonicContact CD2-OD2 3.49Å; H40-D52 IonicContact CE1-OD2 2.88Å; H40-D52 IonicContact NE2-OD2 2.64Å; H40-D52 PolarHBondContact NE2-OD2 3.2Å; H40-F53 PolarHBondContact CE1-O 3.4Å; H40-F66 HydrophobicContact CB-CD2 3.3Å; H40-F66 HydrophobicContact CB-CE2 3.53Å; H40-F66 HydrophobicContact CB-CG 4.36Å; H40-F66 AromaticContact CD2-CD2 3.53Å; H40-F66 AromaticContact CD2-CE2 3.94Å; H40-F66 AromaticContact CG-CD2 3.33Å; H40-F66 AromaticContact CG-CE2 3.42Å; H40-F66 VanDerWaalsContact CG-CE2 3.42Å; H40-F66 AromaticContact ND1-CD2 3.95Å; H40-F66 AromaticContact ND1-CE2 3.54Å; H40-C117 VanDerWaalsContact CE1-CB 3.45Å; H40-C117 WeakPolarHBondContact CE1-CB 3.49Å; H40-C117 WeakPolarHBondContact ND1-CB 3.23Å; H40-C117 PolarHBondContact ND1-SG 3.37Å
41V95.4Very high92.3Very high0 Ų034.8 Ų34.80%018%0.176CC..EExtended strand (participates in β ladder)trans-120.6150.7-177.9-65.30000111.8V24 W25 C117 H118 V121 L141V24-V41 WeakPolarHBondContact O-CA 3.32Å; W25-V41 HydrophobicContact CB-CG1 4.24Å; W25-V41 HydrophobicContact CG-CG1 4.28Å; V41-C117 VanDerWaalsContact CG2-C 3.49Å; V41-C117 HydrophobicContact CG2-CB 4.03Å; V41-C117 WeakPolarHBondContact CG2-O 3.22Å; V41-C117 WeakPolarHBondContact O-CB 3.47Å; V41-H118 HydrophobicContact CG2-CB 4.13Å; V41-V121 HydrophobicContact CB-CG2 4.33Å; V41-V121 HydrophobicContact CG2-CG2 3.89Å; V41-L141 HydrophobicContact CG2-CD2 4.42Å
42G96.5Very high92.7Very high0 Ų031.3 Ų31.30%016%0.158CC..EExtended strand (participates in β ladder)trans-136.8167.3168.700000110.5I23 V24 H51I23-G42 CarbonylContact C-O 3.54Å; I23-G42 WeakPolarHBondContact CA-O 3.44Å; V24-G42 PolarHBondContact N-O 3.19Å; V24-G42 PolarHBondContact O-N 2.94Å; G42-H51 CarbonylContact C-O 3.49Å; G42-H51 VanDerWaalsContact CA-O 3.26Å; G42-H51 WeakPolarHBondContact CA-O 3.2Å
43I97.8Very high92.8Very high0 Ų032.7 Ų32.70%016%0.164CC..EExtended strand (participates in β ladder)trans-127.6133.2173.8-171.5167.2000109.1C22 I23 H51 W87 V91 V121 A124 L125 M128C22-I43 WeakPolarHBondContact O-CA 3.28Å; I23-I43 HydrophobicContact CG1-CG1 4.48Å; I43-H51 PolarHBondContact N-O 2.89Å; I43-H51 WeakPolarHBondContact O-CB 3.35Å; I43-H51 PolarHBondContact O-N 3.22Å; I43-W87 HydrophobicContact CD1-CH2 3.85Å; I43-W87 HydrophobicContact CD1-CZ2 3.64Å; I43-W87 HydrophobicContact CG1-CH2 4.23Å; I43-W87 HydrophobicContact CG1-CZ2 3.62Å; I43-V91 HydrophobicContact CB-CG2 4.48Å; I43-V91 HydrophobicContact CD1-CG2 3.8Å; I43-V91 HydrophobicContact CG1-CG2 3.79Å; I43-V91 HydrophobicContact CG2-CB 4.49Å; I43-V91 HydrophobicContact CG2-CG1 3.96Å; I43-V91 HydrophobicContact CG2-CG2 3.97Å; I43-V121 HydrophobicContact CB-CG1 4.3Å; I43-V121 HydrophobicContact CB-CG2 4.07Å; I43-V121 HydrophobicContact CD1-CG1 4.37Å; I43-V121 HydrophobicContact CG2-CG2 4.23Å; I43-A124 HydrophobicContact CD1-CB 3.95Å; I43-A124 HydrophobicContact CG2-CB 4.43Å; I43-L125 HydrophobicContact CD1-CD2 4.35Å; I43-M128 HydrophobicContact CD1-CE 4.21Å
44A97.2Very high92.8Very high0 Ų028.8 Ų28.80%016%0.157CC..EExtended strand (participates in β ladder)trans-101.7143.5-17500000112F19 C22 I49 I50 W87F19-A44 HydrophobicContact CB-CB 4.35Å; F19-A44 WeakPolarHBondContact O-CB 3.37Å; C22-A44 PolarHBondContact O-N 3.2Å; A44-I49 CarbonylContact C-O 3.33Å; A44-I49 WeakPolarHBondContact CA-O 3.41Å; A44-I50 HydrophobicContact CB-CG1 3.99Å; A44-W87 PolarHBondContact O-NE1 3.09Å
45L95.7Very high92.4Very high13 Ų1322.5 Ų22.57%0.06814%0.138CC..  trans-65172.7170.8-64.7174.9000111.6P20 H21 S47 G48 I49 H51 D88 V91 K92P20-L45 WeakPolarHBondContact CA-O 3.37Å; H21-L45 PolarHBondContact N-O 2.9Å; L45-S47 PolarHBondContact O-N 3.3Å; L45-G48 WeakPolarHBondContact O-CA 3.37Å; L45-G48 PolarHBondContact O-N 2.81Å; L45-I49 PolarHBondContact N-O 2.83Å; L45-H51 WeakPolarHBondContact CD1-NE2 3.19Å; L45-D88 WeakPolarHBondContact CA-OD1 3.32Å; L45-D88 HydrophobicContact CD2-CB 4.01Å; L45-V91 HydrophobicContact CD2-CB 3.76Å; L45-V91 HydrophobicContact CD2-CG1 3.64Å; L45-V91 HydrophobicContact CD2-CG2 4.47Å; L45-V91 HydrophobicContact CG-CG1 4.29Å; L45-K92 HydrophobicContact CD2-CG 4.2Å
46S94Very high92Very high33 Ų3323.8 Ų23.823%0.23115%0.152CC..THydrogen-bonded Turntrans-55.7-33.5168.964.40000112.6P20 H21 G48 D88P20-S46 VanDerWaalsContact CB-O 3.24Å; P20-S46 WeakPolarHBondContact CB-O 3.41Å; H21-S46 VanDerWaalsContact NE2-CA 3.31Å; H21-S46 WeakPolarHBondContact NE2-CA 3.4Å; H21-S46 VanDerWaalsContact NE2-CB 3.26Å; H21-S46 WeakPolarHBondContact NE2-CB 3.48Å; S46-G48 PolarHBondContact O-N 2.83Å; S46-D88 WeakPolarHBondContact CB-OD1 3.44Å; S46-D88 PolarHBondContact N-OD1 2.88Å; S46-D88 PolarHBondContact OG-OD1 3.01Å; S46-D88 PolarHBondContact OG-OD2 2.83Å
47S94Very high91.9Very high55 Ų5527.7 Ų27.739%0.38516%0.162SC..THydrogen-bonded Turntrans-69.9-9.817364.80000114.1R18 L45 I49R18-S47 WeakPolarHBondContact CD-O 3.29Å; L45-S47 PolarHBondContact O-N 3.3Å; S47-I49 VanDerWaalsContact C-N 3.32Å; S47-I49 PolarHBondContact O-N 2.96Å
48G95.2Very high91.9Very high0 Ų030.1 Ų30.10%017%0.173CC..  trans81.11.7-175.600000115.6R18 F19 L45 S46 I50R18-G48 WeakPolarHBondContact CA-O 3.18Å; F19-G48 PolarHBondContact N-O 3.4Å; L45-G48 WeakPolarHBondContact O-CA 3.37Å; L45-G48 PolarHBondContact O-N 2.81Å; S46-G48 PolarHBondContact O-N 2.83Å; G48-I50 PolarHBondContact O-N 3.34Å
49I96.5Very high92Very high49 Ų4928.6 Ų28.625%0.25116%0.163SC..  trans-69.3125.5172.6-64.5172.5000109A44 L45 S47 E61 D62A44-I49 CarbonylContact C-O 3.33Å; A44-I49 WeakPolarHBondContact CA-O 3.41Å; L45-I49 PolarHBondContact N-O 2.83Å; S47-I49 VanDerWaalsContact C-N 3.32Å; S47-I49 PolarHBondContact O-N 2.96Å; I49-E61 HydrophobicContact CG2-CB 4.37Å; I49-D62 HydrophobicContact CG2-CB 4.15Å
50I97.5Very high92Very high2 Ų229.1 Ų29.11%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-83.5135.6-178.2-64.4156.9000110.2F19 V24 A44 G48 E61 D62 M64 P69F19-I50 HydrophobicContact CD2-CD1 3.8Å; F19-I50 HydrophobicContact CE2-CD1 4.41Å; V24-I50 HydrophobicContact CG1-CD1 4.18Å; V24-I50 HydrophobicContact CG1-CG1 4.33Å; V24-I50 HydrophobicContact CG2-CD1 4.08Å; V24-I50 HydrophobicContact CG2-CG1 4.06Å; V24-I50 HydrophobicContact CG2-CG2 3.6Å; A44-I50 HydrophobicContact CB-CG1 3.99Å; G48-I50 PolarHBondContact O-N 3.34Å; I50-E61 WeakPolarHBondContact O-CA 3.42Å; I50-D62 PolarHBondContact O-N 2.84Å; I50-M64 HydrophobicContact CD1-SD 4.3Å; I50-M64 HydrophobicContact CG2-CG 3.75Å; I50-M64 HydrophobicContact CG2-SD 4.02Å; I50-P69 HydrophobicContact CD1-CG 3.48Å; I50-P69 VanDerWaalsContact CD1-CG 3.48Å
51H97.2Very high92Very high5 Ų533.6 Ų33.62%0.02319%0.188CC..EExtended strand (participates in β ladder)trans-114.2125169.2-70.2-128.9000109.6G42 I43 L45 V59 S60 E61 V91 S95G42-H51 CarbonylContact C-O 3.49Å; G42-H51 VanDerWaalsContact CA-O 3.26Å; G42-H51 WeakPolarHBondContact CA-O 3.2Å; I43-H51 PolarHBondContact N-O 2.89Å; I43-H51 WeakPolarHBondContact O-CB 3.35Å; I43-H51 PolarHBondContact O-N 3.22Å; L45-H51 WeakPolarHBondContact CD1-NE2 3.19Å; H51-V59 HydrophobicContact CB-CG1 4.15Å; H51-S60 WeakPolarHBondContact CA-O 3.43Å; H51-E61 VanDerWaalsContact CE1-CD 3.48Å; H51-E61 IonicContact CE1-OE1 3.7Å; H51-E61 PolarHBondContact CE1-OE1 3.35Å; H51-E61 IonicContact ND1-OE1 3.01Å; H51-V91 HydrophobicContact CB-CG1 4.1Å; H51-S95 PolarHBondContact ND1-OG 2.64Å
52D94.1Very high91.6Very high0 Ų036.7 Ų36.70%020%0.204CC..EExtended strand (participates in β ladder)trans-137.3137.9175.865.2-61.2000111.8H40 A54 V59 S60 A65H40-D52 IonicContact CD2-OD2 3.49Å; H40-D52 IonicContact CE1-OD2 2.88Å; H40-D52 IonicContact NE2-OD2 2.64Å; H40-D52 PolarHBondContact NE2-OD2 3.2Å; D52-A54 PolarHBondContact O-N 3.37Å; D52-A54 VanDerWaalsContact O-N 3.1Å; D52-V59 CarbonylContact O-C 3.59Å; D52-V59 VanDerWaalsContact O-CA 3.29Å; D52-V59 WeakPolarHBondContact O-CA 3.19Å; D52-S60 PolarHBondContact N-O 3.4Å; D52-S60 PolarHBondContact O-N 3.21Å; D52-S60 WeakPolarHBondContact OD1-CB 3.19Å; D52-A65 PolarHBondContact OD2-N 3.02Å
53F90.3Very high91.2Very high28 Ų2842.5 Ų42.512%0.12324%0.235CC..EExtended strand (participates in β ladder)trans-75.998.9173.3179.3-113000110H40 G55 F58 V59 Y98 H120H40-F53 PolarHBondContact CE1-O 3.4Å; F53-G55 WeakPolarHBondContact CD2-O 3.36Å; F53-G55 WeakPolarHBondContact CE2-O 3.24Å; F53-G55 WeakPolarHBondContact CZ-O 3.21Å; F53-F58 WeakPolarHBondContact CD2-O 3Å; F53-V59 HydrophobicContact CB-CG2 4.48Å; F53-V59 HydrophobicContact CD2-CG2 4.07Å; F53-Y98 HydrophobicContact CB-CD1 4.21Å; F53-Y98 AromaticContact CD1-CD1 3.92Å; F53-Y98 HydrophobicContact CD1-CD1 3.92Å; F53-Y98 HydrophobicContact CD1-CE1 4.17Å; F53-Y98 AromaticContact CD2-CD1 3.49Å; F53-Y98 HydrophobicContact CD2-CD1 3.49Å; F53-Y98 VanDerWaalsContact CD2-CD1 3.49Å; F53-Y98 HydrophobicContact CD2-CE1 4.49Å; F53-Y98 HydrophobicContact CD2-CG 4.1Å; F53-Y98 HydrophobicContact CE1-CD1 4.09Å; F53-Y98 HydrophobicContact CE1-CE1 4.28Å; F53-Y98 AromaticContact CE2-CD1 3.64Å; F53-Y98 HydrophobicContact CE2-CD1 3.64Å; F53-Y98 HydrophobicContact CE2-CG 4.44Å; F53-Y98 AromaticContact CG-CD1 3.6Å; F53-Y98 HydrophobicContact CG-CD1 3.6Å; F53-Y98 HydrophobicContact CG-CE1 4.26Å; F53-Y98 HydrophobicContact CG-CG 4.38Å; F53-Y98 AromaticContact CZ-CD1 3.94Å; F53-Y98 HydrophobicContact CZ-CD1 3.94Å; F53-Y98 HydrophobicContact CZ-CE1 4.47Å; F53-H120 HydrophobicContact CB-CB 3.86Å
54A85.7Confident90.8Very high36 Ų3643.1 Ų43.130%0.29824%0.239SC..EExtended strand (participates in β ladder)trans-92.9-6.9-170.800000113.4D52 F58 A65D52-A54 PolarHBondContact O-N 3.37Å; D52-A54 VanDerWaalsContact O-N 3.1Å; A54-F58 HydrophobicContact CB-CD1 3.6Å; A54-F58 HydrophobicContact CB-CE1 3.81Å; A54-F58 PolarHBondContact N-O 3.03Å; A54-A65 HydrophobicContact CB-CB 3.54Å
55G79.4Confident90Very high29 Ų2945.5 Ų45.530%0.29926%0.258SS..EExtended strand (participates in β ladder)trans166.3173.9176.600000111.4F53 Y57 F58F53-G55 WeakPolarHBondContact CD2-O 3.36Å; F53-G55 WeakPolarHBondContact CE2-O 3.24Å; F53-G55 WeakPolarHBondContact CZ-O 3.21Å; G55-Y57 PolarHBondContact O-N 3.01Å; G55-Y57 VanDerWaalsContact O-N 3.08Å; G55-F58 PolarHBondContact N-O 2.83Å; G55-F58 WeakPolarHBondContact O-CA 3.46Å; G55-F58 PolarHBondContact O-N 3.27Å
56S80Confident89.4Confident96 Ų9649.5 Ų49.567%0.67128%0.275SS*.THydrogen-bonded Turntrans-45.6116.8-176.8-60.90000113F58S56-F58 PolarHBondContact O-N 3.47Å
57Y81.9Confident89.1Confident128 Ų12849.8 Ų49.850%0.50228%0.28SS..THydrogen-bonded Turntrans61.813.8-179.2-45.6-73.7000115.5G55 Y98 L105 Q109G55-Y57 PolarHBondContact O-N 3.01Å; G55-Y57 VanDerWaalsContact O-N 3.08Å; Y57-Y98 VanDerWaalsContact CA-O 3.24Å; Y57-Y98 WeakPolarHBondContact CA-O 3.31Å; Y57-L105 HydrophobicContact CD1-CD1 3.99Å; Y57-L105 HydrophobicContact CE1-CD1 3.8Å; Y57-Q109 PolarHBondContact OH-NE2 3.28Å
58F87.1Confident89Confident116 Ų11652.8 Ų52.851%0.50929%0.287SS..EExtended strand (participates in β ladder)trans-120.5113-177.2-175.9-111.3000110.8F53 A54 G55 S56F53-F58 WeakPolarHBondContact CD2-O 3Å; A54-F58 HydrophobicContact CB-CD1 3.6Å; A54-F58 HydrophobicContact CB-CE1 3.81Å; A54-F58 PolarHBondContact N-O 3.03Å; G55-F58 PolarHBondContact N-O 2.83Å; G55-F58 WeakPolarHBondContact O-CA 3.46Å; G55-F58 PolarHBondContact O-N 3.27Å; S56-F58 PolarHBondContact O-N 3.47Å
59V91.2Very high88.9Confident4 Ų452.9 Ų52.92%0.02429%0.288CS..EExtended strand (participates in β ladder)trans-109.7116.7169.4177.90000106.9H51 D52 F53 R99H51-V59 HydrophobicContact CB-CG1 4.15Å; D52-V59 CarbonylContact O-C 3.59Å; D52-V59 VanDerWaalsContact O-CA 3.29Å; D52-V59 WeakPolarHBondContact O-CA 3.19Å; F53-V59 HydrophobicContact CB-CG2 4.48Å; F53-V59 HydrophobicContact CD2-CG2 4.07Å; V59-R99 HydrophobicContact CB-CG 4.11Å; V59-R99 HydrophobicContact CG2-CG 4.07Å; V59-R99 PolarHBondContact O-NH2 3.26Å
60S91.5Very high88.7Confident12 Ų1252.5 Ų52.58%0.08428%0.284CS..EExtended strand (participates in β ladder)trans-75.8153176.1-165.10000110.5H51 D52 D63H51-S60 WeakPolarHBondContact CA-O 3.43Å; D52-S60 PolarHBondContact N-O 3.4Å; D52-S60 PolarHBondContact O-N 3.21Å; D52-S60 WeakPolarHBondContact OD1-CB 3.19Å; S60-D63 WeakPolarHBondContact CB-O 3.26Å; S60-D63 PolarHBondContact OG-O 3.28Å
61E93.5Very high88.6Confident99 Ų9953.3 Ų53.346%0.46329%0.287SS..EExtended strand (participates in β ladder)trans-127.2122.1173.5-66.8-178.5-172.600107.6I49 I50 H51 D63 R99I49-E61 HydrophobicContact CG2-CB 4.37Å; I50-E61 WeakPolarHBondContact O-CA 3.42Å; H51-E61 VanDerWaalsContact CE1-CD 3.48Å; H51-E61 IonicContact CE1-OE1 3.7Å; H51-E61 PolarHBondContact CE1-OE1 3.35Å; H51-E61 IonicContact ND1-OE1 3.01Å; E61-D63 PolarHBondContact O-N 2.97Å; E61-D63 VanDerWaalsContact O-N 3.17Å; E61-R99 VanDerWaalsContact CD-NH2 3.35Å; E61-R99 VanDerWaalsContact CG-NH2 3.34Å; E61-R99 IonicContact OE1-CZ 2.68Å; E61-R99 IonicContact OE1-NH1 3.21Å; E61-R99 PolarHBondContact OE1-NH1 3.17Å; E61-R99 IonicContact OE1-NH2 3.63Å; E61-R99 PolarHBondContact OE1-NH2 3.28Å
62D87.5Confident88.5Confident66 Ų6654.8 Ų54.835%0.35329%0.292SS..SBendtrans68.61.7177.7-141.223.4000116.7R18 I49 I50R18-D62 IonicContact CZ-OD1 3.22Å; R18-D62 IonicContact CZ-OD2 3.59Å; R18-D62 VanDerWaalsContact CZ-OD2 3.31Å; R18-D62 IonicContact NH1-OD1 3.63Å; R18-D62 PolarHBondContact NH1-OD1 3.13Å; R18-D62 IonicContact NH1-OD2 3.81Å; R18-D62 PolarHBondContact NH1-OD2 3.03Å; R18-D62 IonicContact NH2-OD1 2.71Å; R18-D62 IonicContact NH2-OD2 3.47Å; R18-D62 PolarHBondContact NH2-OD2 3.49Å; I49-D62 HydrophobicContact CG2-CB 4.15Å; I50-D62 PolarHBondContact O-N 2.84Å
63D88.4Confident88.7Confident121 Ų12155.6 Ų55.665%0.64730%0.296SS*.SBendtrans-14089.9178.3-171.122.5000111.2S60 E61S60-D63 WeakPolarHBondContact CB-O 3.26Å; S60-D63 PolarHBondContact OG-O 3.28Å; E61-D63 PolarHBondContact O-N 2.97Å; E61-D63 VanDerWaalsContact O-N 3.17Å
64M88Confident88.9Confident14 Ų1457.5 Ų57.57%0.06931%0.306CS..  trans-64.6142.4-176.1-75-173.971.100112.3V24 T26 I50 F66 A67 P69V24-M64 HydrophobicContact CB-SD 4.36Å; V24-M64 HydrophobicContact CG2-CE 3.97Å; V24-M64 HydrophobicContact CG2-SD 3.58Å; V24-M64 VanDerWaalsContact CG2-SD 3.58Å; T26-M64 HydrophobicContact CG2-CE 3.77Å; I50-M64 HydrophobicContact CD1-SD 4.3Å; I50-M64 HydrophobicContact CG2-CG 3.75Å; I50-M64 HydrophobicContact CG2-SD 4.02Å; M64-F66 VanDerWaalsContact C-N 3.26Å; M64-F66 PolarHBondContact O-N 3.47Å; M64-A67 WeakPolarHBondContact CB-O 3.43Å; M64-P69 HydrophobicContact SD-CG 3.75Å
65A81.9Confident89.4Confident50 Ų5055.9 Ų55.941%0.41329%0.293SS..SBendtrans-53.5-30.7-171.300000117.1D52 A54D52-A65 PolarHBondContact OD2-N 3.02Å; A54-A65 HydrophobicContact CB-CB 3.54Å
66F83.1Confident89.9Confident97 Ų9759.9 Ų59.943%0.42530%0.303SS..SBendtrans-113.6-52-172-62.1-84.1000112.9T26 I28 P29 H40 M64T26-F66 HydrophobicContact CG2-CB 4.04Å; I28-F66 HydrophobicContact CD1-CE2 4.48Å; I28-F66 HydrophobicContact CD1-CZ 4.47Å; I28-F66 HydrophobicContact CG1-CD2 4.29Å; I28-F66 HydrophobicContact CG1-CE1 4.34Å; I28-F66 HydrophobicContact CG1-CE2 3.99Å; I28-F66 HydrophobicContact CG1-CZ 4.01Å; I28-F66 HydrophobicContact CG2-CD1 4.49Å; I28-F66 HydrophobicContact CG2-CE1 3.94Å; I28-F66 HydrophobicContact CG2-CZ 4.18Å; P29-F66 HydrophobicContact CG-CD1 4.4Å; H40-F66 HydrophobicContact CB-CD2 3.3Å; H40-F66 HydrophobicContact CB-CE2 3.53Å; H40-F66 HydrophobicContact CB-CG 4.36Å; H40-F66 AromaticContact CD2-CD2 3.53Å; H40-F66 AromaticContact CD2-CE2 3.94Å; H40-F66 AromaticContact CG-CD2 3.33Å; H40-F66 AromaticContact CG-CE2 3.42Å; H40-F66 VanDerWaalsContact CG-CE2 3.42Å; H40-F66 AromaticContact ND1-CD2 3.95Å; H40-F66 AromaticContact ND1-CE2 3.54Å; M64-F66 VanDerWaalsContact C-N 3.26Å; M64-F66 PolarHBondContact O-N 3.47Å
67A86.7Confident90.4Very high39 Ų3956.2 Ų56.232%0.32228%0.276SS..SBendtrans-164.8171.3176.900000110M64M64-A67 WeakPolarHBondContact CB-O 3.43Å
68E91.8Very high90.7Very high117 Ų11754.8 Ų54.855%0.54729%0.285SS..SBendtrans-51.7156168.8-67.4-178177.600111.8T26 Y70T26-E68 PolarHBondContact OG1-O 3.19Å; E68-Y70 WeakPolarHBondContact O-CD2 3.31Å; E68-Y70 PolarHBondContact O-N 3.23Å
69P93.7Very high90.9Very high3 Ų352 Ų522%0.01927%0.273CS..  trans-51.9128.1174.5-3037000113.3F19 V24 I50 M64 V152F19-P69 HydrophobicContact CD2-CG 4.07Å; F19-P69 HydrophobicContact CE1-CB 4.41Å; F19-P69 HydrophobicContact CE2-CB 4.05Å; F19-P69 HydrophobicContact CE2-CG 3.67Å; F19-P69 HydrophobicContact CZ-CB 3.92Å; F19-P69 HydrophobicContact CZ-CG 4.08Å; V24-P69 HydrophobicContact CB-CB 3.9Å; V24-P69 HydrophobicContact CB-CG 3.84Å; V24-P69 HydrophobicContact CG1-CB 3.98Å; V24-P69 HydrophobicContact CG1-CG 3.84Å; V24-P69 HydrophobicContact CG2-CG 4.23Å; I50-P69 HydrophobicContact CD1-CG 3.48Å; I50-P69 VanDerWaalsContact CD1-CG 3.48Å; M64-P69 HydrophobicContact SD-CG 3.75Å; P69-V152 HydrophobicContact CB-CG2 4.1Å; P69-V152 WeakPolarHBondContact O-CG2 3.02Å
70Y93Very high90.8Very high40 Ų4052.4 Ų52.416%0.15728%0.275CS..SBendtrans-95.5-36.1171-91.3-134.2000111.5W25 P27 E68 Y151 V152 F156 F159W25-Y70 PolarHBondContact O-N 2.87Å; P27-Y70 HydrophobicContact CG-CD1 4.01Å; P27-Y70 HydrophobicContact CG-CE1 4.07Å; P27-Y70 HydrophobicContact CG-CG 4.36Å; E68-Y70 WeakPolarHBondContact O-CD2 3.31Å; E68-Y70 PolarHBondContact O-N 3.23Å; Y70-Y151 WeakPolarHBondContact O-CA 3.26Å; Y70-V152 PolarHBondContact O-N 3.5Å; Y70-F156 HydrophobicContact CD1-CB 4.39Å; Y70-F156 AromaticContact CD1-CD1 3.49Å; Y70-F156 HydrophobicContact CD1-CD1 3.49Å; Y70-F156 VanDerWaalsContact CD1-CD1 3.49Å; Y70-F156 HydrophobicContact CD1-CE1 4.11Å; Y70-F156 HydrophobicContact CD1-CG 4.26Å; Y70-F156 AromaticContact CD2-CD1 3.7Å; Y70-F156 HydrophobicContact CD2-CD1 3.7Å; Y70-F156 AromaticContact CD2-CE1 3.58Å; Y70-F156 HydrophobicContact CD2-CE1 3.58Å; Y70-F156 AromaticContact CE1-CD1 3.58Å; Y70-F156 HydrophobicContact CE1-CD1 3.58Å; Y70-F156 AromaticContact CE1-CE1 3.91Å; Y70-F156 HydrophobicContact CE1-CE1 3.91Å; Y70-F156 HydrophobicContact CE1-CG 4.24Å; Y70-F156 AromaticContact CE2-CD1 3.79Å; Y70-F156 HydrophobicContact CE2-CD1 3.79Å; Y70-F156 AromaticContact CE2-CE1 3.35Å; Y70-F156 HydrophobicContact CE2-CE1 3.35Å; Y70-F156 HydrophobicContact CE2-CZ 4.28Å; Y70-F156 AromaticContact CG-CD1 3.54Å; Y70-F156 HydrophobicContact CG-CD1 3.54Å; Y70-F156 AromaticContact CG-CE1 3.95Å; Y70-F156 HydrophobicContact CG-CE1 3.95Å; Y70-F156 AromaticContact CZ-CD1 3.71Å; Y70-F156 AromaticContact CZ-CE1 3.51Å; Y70-F159 HydrophobicContact CE1-CB 3.75Å
71R94.2Very high90.3Very high19 Ų1957.1 Ų57.17%0.07230%0.299CS..EExtended strand (participates in β ladder)trans-130.8155.3176.2-65.7175.6-179.9-118.722.7110.6V24 W25 F146 G149 R150 Y151V24-R71 CarbonylContact C-O 3.49Å; V24-R71 WeakPolarHBondContact CA-O 3.48Å; W25-R71 HydrophobicContact CB-CB 4.3Å; W25-R71 HydrophobicContact CE3-CB 4.22Å; W25-R71 HydrophobicContact CE3-CG 4.14Å; W25-R71 PolarHBondContact N-O 3.24Å; W25-R71 PolarHBondContact O-N 3.28Å; R71-F146 PolarHBondContact NH1-O 3.28Å; R71-G149 PolarHBondContact NH1-O 3.48Å; R71-R150 CarbonylContact C-O 3.57Å; R71-R150 WeakPolarHBondContact CA-O 3.31Å; R71-Y151 HydrophobicContact CG-CD1 3.91Å; R71-Y151 HydrophobicContact CG-CE1 4.17Å; R71-Y151 HydrophobicContact CG-CG 4.47Å; R71-Y151 VanDerWaalsContact CZ-OH 3.32Å; R71-Y151 VanDerWaalsContact NH2-CZ 3.26Å; R71-Y151 PolarHBondContact NH2-OH 3.27Å
72Y96.4Very high89.4Confident36 Ų3655.2 Ų55.214%0.14131%0.306CS..EExtended strand (participates in β ladder)trans-146.2151.8173.466.2-82.9000111.6I12 F19 I23 G149 R150 V152I12-Y72 HydrophobicContact CD1-CD2 3.47Å; I12-Y72 VanDerWaalsContact CD1-CD2 3.47Å; I12-Y72 HydrophobicContact CD1-CE2 3.15Å; I12-Y72 HydrophobicContact CD1-CG 4.33Å; F19-Y72 HydrophobicContact CD1-CD1 4.41Å; F19-Y72 HydrophobicContact CD1-CG 4.16Å; F19-Y72 HydrophobicContact CE1-CD1 4.03Å; F19-Y72 HydrophobicContact CE1-CG 4.24Å; I23-Y72 CarbonylContact O-C 3.57Å; I23-Y72 WeakPolarHBondContact O-CA 3.22Å; Y72-G149 CarbonylContact O-C 3.6Å; Y72-G149 WeakPolarHBondContact O-CA 3.24Å; Y72-R150 HydrophobicContact CD1-CB 4.42Å; Y72-R150 WeakPolarHBondContact CD1-O 3.49Å; Y72-R150 HydrophobicContact CE1-CB 3.94Å; Y72-R150 HydrophobicContact CE2-CB 4.19Å; Y72-R150 PolarHBondContact N-O 3.22Å; Y72-R150 PolarHBondContact O-N 3.08Å; Y72-V152 HydrophobicContact CD1-CG2 3.63Å; Y72-V152 HydrophobicContact CE1-CG2 4.12Å
73I96.9Very high88.8Confident17 Ų1759.3 Ų59.39%0.08732%0.321CS..EExtended strand (participates in β ladder)trans-117.1116.6161.4-65.8172.6000106.3C22 I23 C75 W144 V145 K148C22-I73 CarbonylContact C-O 3.56Å; C22-I73 WeakPolarHBondContact CA-O 3.23Å; I23-I73 PolarHBondContact N-O 3.14Å; I23-I73 PolarHBondContact O-N 3.46Å; I73-C75 PolarHBondContact O-N 3.37Å; I73-W144 HydrophobicContact CD1-CD2 3.94Å; I73-W144 HydrophobicContact CD1-CG 4.03Å; I73-W144 HydrophobicContact CD1-CZ2 4.48Å; I73-W144 WeakPolarHBondContact CD1-O 3.49Å; I73-W144 HydrophobicContact CG2-CH2 4.4Å; I73-W144 HydrophobicContact CG2-CZ2 3.98Å; I73-V145 HydrophobicContact CD1-CG2 4.23Å; I73-K148 HydrophobicContact CD1-CB 3.91Å; I73-K148 HydrophobicContact CG1-CB 4.4Å
74Q95.9Very high87.8Confident68 Ų6857.2 Ų57.232%0.31831%0.307SS..EExtended strand (participates in β ladder)trans-79.6109.6168.8-165.4162.933.500108.4S9 E10 I12 P20S9-Q74 VanDerWaalsContact OG-CD 3.25Å; S9-Q74 PolarHBondContact OG-NE2 3.49Å; E10-Q74 PolarHBondContact O-NE2 2.87Å; I12-Q74 HydrophobicContact CD1-CB 4.38Å; P20-Q74 PolarHBondContact O-NE2 3.46Å; P20-Q74 VanDerWaalsContact O-NE2 3.09Å
75C94.8Very high87.3Confident3 Ų362.9 Ų62.92%0.0233%0.333CS..  trans-71.8151.8-179.7-71.10000110.6H21 I73 W87 Y130H21-C75 VanDerWaalsContact O-CB 3.29Å; H21-C75 WeakPolarHBondContact O-CB 3.45Å; H21-C75 PolarHBondContact O-N 3.08Å; I73-C75 PolarHBondContact O-N 3.37Å; C75-W87 HydrophobicContact CB-CH2 3.42Å; C75-W87 VanDerWaalsContact CB-CH2 3.42Å; C75-W87 HydrophobicContact CB-CZ2 4.4Å; C75-W87 HydrophobicContact CB-CZ3 3.5Å; C75-W87 VanDerWaalsContact CB-CZ3 3.5Å; C75-Y130 WeakPolarHBondContact CA-OH 3.37Å; C75-Y130 HydrophobicContact CB-CE2 3.62Å; C75-Y130 WeakPolarHBondContact CB-OH 3.25Å
76Q91.1Very high87.7Confident112 Ų11262.2 Ų62.252%0.52333%0.325SS..  trans-95.1122.2-179.8-64.5178.22.700109.5S78 K79 Y130Q76-S78 PolarHBondContact O-N 2.72Å; Q76-S78 VanDerWaalsContact O-N 3.17Å; Q76-K79 HydrophobicContact CB-CD 4.35Å; Q76-K79 HydrophobicContact CB-CG 4.26Å; Q76-K79 WeakPolarHBondContact O-CB 3.2Å; Q76-K79 PolarHBondContact O-N 3.39Å; Q76-Y130 PolarHBondContact N-OH 3.49Å; Q76-Y130 VanDerWaalsContact N-OH 3.14Å; Q76-Y130 WeakPolarHBondContact O-CE2 3.14Å
77L89Confident88.3Confident19 Ų1957.7 Ų57.710%0.09931%0.305CS..G310 helixtrans-59-28.1177.1-70.5173.4000113.2F7 K79 V80 E84 W87F7-L77 HydrophobicContact CB-CD1 4.48Å; L77-K79 PolarHBondContact O-N 3.09Å; L77-K79 VanDerWaalsContact O-N 3.12Å; L77-V80 HydrophobicContact CD2-CG2 4.46Å; L77-V80 WeakPolarHBondContact O-CB 3.34Å; L77-V80 PolarHBondContact O-N 3.24Å; L77-E84 HydrophobicContact CD1-CB 4.17Å; L77-E84 VanDerWaalsContact CD1-CD 3.45Å; L77-E84 HydrophobicContact CD1-CG 3.59Å; L77-E84 WeakPolarHBondContact CD1-OE1 3.46Å; L77-E84 HydrophobicContact CD2-CB 4.36Å; L77-E84 HydrophobicContact CD2-CG 3.91Å; L77-E84 HydrophobicContact CG-CG 4.36Å; L77-W87 HydrophobicContact CD2-CB 4.2Å
78S89Confident88.7Confident98 Ų9857.1 Ų57.169%0.68530%0.297SS*.G310 helixtrans-61.6-16.4173.257.80000114.2Q76Q76-S78 PolarHBondContact O-N 2.72Å; Q76-S78 VanDerWaalsContact O-N 3.17Å
79K90.7Very high88.8Confident59 Ų5957.4 Ų57.426%0.25730%0.298SS..G310 helixtrans-93.4-7.2175.5-67.6-177.6167.2-128.40112.9Q76 L77 Y130 D131Q76-K79 HydrophobicContact CB-CD 4.35Å; Q76-K79 HydrophobicContact CB-CG 4.26Å; Q76-K79 WeakPolarHBondContact O-CB 3.2Å; Q76-K79 PolarHBondContact O-N 3.39Å; L77-K79 PolarHBondContact O-N 3.09Å; L77-K79 VanDerWaalsContact O-N 3.12Å; K79-Y130 HydrophobicContact CB-CD2 3.97Å; K79-Y130 HydrophobicContact CB-CE1 4.39Å; K79-Y130 HydrophobicContact CB-CE2 3.56Å; K79-Y130 HydrophobicContact CD-CE1 4.17Å; K79-Y130 HydrophobicContact CD-CE2 4.38Å; K79-Y130 CarbonylContact O-C 3.55Å; K79-Y130 WeakPolarHBondContact O-CA 3.24Å; K79-D131 HydrophobicContact CB-CB 4.49Å; K79-D131 HydrophobicContact CD-CB 4.27Å; K79-D131 WeakPolarHBondContact CD-OD1 3.35Å; K79-D131 WeakPolarHBondContact CE-OD1 3.05Å; K79-D131 IonicContact NZ-OD1 2.8Å; K79-D131 PolarHBondContact NZ-OD1 3.36Å; K79-D131 IonicContact NZ-OD2 3.78Å; K79-D131 PolarHBondContact NZ-OD2 3Å; K79-D131 PolarHBondContact O-N 3.47Å
80V90Very high88.9Confident11 Ų1157.3 Ų57.37%0.06730%0.298CS..SBendtrans-79.3131.1173.1177.90000108.3L77 G82 C86 W87 M128 Y130L77-V80 HydrophobicContact CD2-CG2 4.46Å; L77-V80 WeakPolarHBondContact O-CB 3.34Å; L77-V80 PolarHBondContact O-N 3.24Å; V80-G82 PolarHBondContact O-N 2.88Å; V80-C86 HydrophobicContact CG1-CB 3.78Å; V80-W87 HydrophobicContact CG2-CE3 3.78Å; V80-M128 HydrophobicContact CG1-CB 4.08Å; V80-M128 HydrophobicContact CG2-SD 4.25Å; V80-Y130 HydrophobicContact CG2-CD2 3.94Å; V80-Y130 HydrophobicContact CG2-CE2 4.5Å
81N81.4Confident89Confident112 Ų11255.4 Ų55.460%0.59929%0.291SS*.SBendtrans-78.2105.7175.4-167.36.9000109.4M128 A129N81-M128 PolarHBondContact N-O 3.04Å; N81-A129 HydrophobicContact CB-CB 3.87Å
82G75.1Confident89.1Confident59 Ų5959.2 Ų59.261%0.60831%0.308SS*.SBendtrans125.6-141.7-179.200000112.4V80V80-G82 PolarHBondContact O-N 2.88Å
83K73.1Confident88.9Confident152 Ų15259.2 Ų59.266%0.66131%0.309SS*.  trans-100.9161.9177.4-62.6-176.8-178.9178.40109.5Q85 C86K83-Q85 PolarHBondContact O-N 2.98Å; K83-C86 WeakPolarHBondContact O-CB 3.36Å; K83-C86 PolarHBondContact O-N 2.86Å; K83-C86 PolarHBondContact O-SG 3.46Å; K83-C86 VanDerWaalsContact O-SG 3.37Å
84E67.8Low88.7Confident77 Ų7758.4 Ų58.436%0.3631%0.305SS..THydrogen-bonded Turntrans-48.3-34174.7177.8172.8-164.600113.4H21 L77 C86 W87H21-E84 IonicContact CE1-OE1 2.76Å; H21-E84 PolarHBondContact CE1-OE1 2.91Å; H21-E84 IonicContact NE2-OE1 2.89Å; L77-E84 HydrophobicContact CD1-CB 4.17Å; L77-E84 VanDerWaalsContact CD1-CD 3.45Å; L77-E84 HydrophobicContact CD1-CG 3.59Å; L77-E84 WeakPolarHBondContact CD1-OE1 3.46Å; L77-E84 HydrophobicContact CD2-CB 4.36Å; L77-E84 HydrophobicContact CD2-CG 3.91Å; L77-E84 HydrophobicContact CG-CG 4.36Å; E84-C86 PolarHBondContact O-N 2.98Å; E84-C86 VanDerWaalsContact O-N 3.1Å; E84-W87 WeakPolarHBondContact O-CB 3.22Å; E84-W87 PolarHBondContact O-N 3.2Å
85Q77.5Confident88.7Confident133 Ų13355.2 Ų55.262%0.62129%0.29SS*.Hα-helixtrans-54.4-29.1174.5-67.7172.1-19.400113.4K83 W87 D88 E89K83-Q85 PolarHBondContact O-N 2.98Å; Q85-W87 PolarHBondContact O-N 3.16Å; Q85-D88 PolarHBondContact O-N 2.97Å; Q85-E89 WeakPolarHBondContact O-CB 3.29Å; Q85-E89 VanDerWaalsContact O-CG 3.26Å; Q85-E89 WeakPolarHBondContact O-CG 3.38Å; Q85-E89 PolarHBondContact O-N 3.49Å; Q85-E89 VanDerWaalsContact O-N 3.08Å
86C91.3Very high88.5Confident36 Ų3659.5 Ų59.524%0.24331%0.309CS..Hα-helixtrans-66.7-24.1177.5-600000112.9V80 K83 E84 G90V80-C86 HydrophobicContact CG1-CB 3.78Å; K83-C86 WeakPolarHBondContact O-CB 3.36Å; K83-C86 PolarHBondContact O-N 2.86Å; K83-C86 PolarHBondContact O-SG 3.46Å; K83-C86 VanDerWaalsContact O-SG 3.37Å; E84-C86 PolarHBondContact O-N 2.98Å; E84-C86 VanDerWaalsContact O-N 3.1Å; C86-G90 PolarHBondContact O-N 3.07Å
87W94.9Very high88.4Confident1 Ų154.2 Ų54.20%0.00429%0.285CS..Hα-helixtrans-66.4-58.5175.1179.2-84.5000110.6H21 I43 A44 C75 L77 V80 E84 Q85 E89 G90 V91 L125 M128 Y130H21-W87 HydrophobicContact CB-CZ2 4.42Å; H21-W87 AromaticContact CD2-CD1 3.71Å; H21-W87 AromaticContact CD2-CG 3.95Å; H21-W87 AromaticContact CD2-NE1 3.91Å; I43-W87 HydrophobicContact CD1-CH2 3.85Å; I43-W87 HydrophobicContact CD1-CZ2 3.64Å; I43-W87 HydrophobicContact CG1-CH2 4.23Å; I43-W87 HydrophobicContact CG1-CZ2 3.62Å; A44-W87 PolarHBondContact O-NE1 3.09Å; C75-W87 HydrophobicContact CB-CH2 3.42Å; C75-W87 VanDerWaalsContact CB-CH2 3.42Å; C75-W87 HydrophobicContact CB-CZ2 4.4Å; C75-W87 HydrophobicContact CB-CZ3 3.5Å; C75-W87 VanDerWaalsContact CB-CZ3 3.5Å; L77-W87 HydrophobicContact CD2-CB 4.2Å; V80-W87 HydrophobicContact CG2-CE3 3.78Å; E84-W87 WeakPolarHBondContact O-CB 3.22Å; E84-W87 PolarHBondContact O-N 3.2Å; Q85-W87 PolarHBondContact O-N 3.16Å; W87-E89 VanDerWaalsContact C-N 3.31Å; W87-E89 PolarHBondContact O-N 3.18Å; W87-G90 PolarHBondContact O-N 2.92Å; W87-G90 VanDerWaalsContact O-N 3.09Å; W87-V91 WeakPolarHBondContact O-CG2 3.41Å; W87-V91 PolarHBondContact O-N 2.77Å; W87-L125 HydrophobicContact CH2-CD2 4.4Å; W87-L125 HydrophobicContact CZ3-CD2 4.33Å; W87-M128 HydrophobicContact CD2-CE 4.08Å; W87-M128 HydrophobicContact CD2-SD 3.86Å; W87-M128 HydrophobicContact CE3-CE 3.97Å; W87-M128 HydrophobicContact CE3-SD 3.18Å; W87-M128 HydrophobicContact CG-CE 4.46Å; W87-M128 HydrophobicContact CG-SD 4.48Å; W87-M128 HydrophobicContact CH2-SD 4.43Å; W87-M128 HydrophobicContact CZ3-CE 4.32Å; W87-M128 HydrophobicContact CZ3-SD 3.52Å; W87-M128 VanDerWaalsContact CZ3-SD 3.52Å; W87-Y130 AromaticContact CZ3-CD2 3.96Å; W87-Y130 HydrophobicContact CZ3-CD2 3.96Å; W87-Y130 HydrophobicContact CZ3-CE2 4.13Å
88D95.2Very high88.4Confident27 Ų2753.7 Ų53.714%0.14428%0.282CS..Hα-helixtrans-62.9-38.9-178.6-82.110.6000112.2L45 S46 Q85 V91 K92L45-D88 WeakPolarHBondContact CA-OD1 3.32Å; L45-D88 HydrophobicContact CD2-CB 4.01Å; S46-D88 WeakPolarHBondContact CB-OD1 3.44Å; S46-D88 PolarHBondContact N-OD1 2.88Å; S46-D88 PolarHBondContact OG-OD1 3.01Å; S46-D88 PolarHBondContact OG-OD2 2.83Å; Q85-D88 PolarHBondContact O-N 2.97Å; D88-V91 PolarHBondContact O-N 3.09Å; D88-K92 WeakPolarHBondContact O-CB 3.49Å; D88-K92 VanDerWaalsContact O-CG 3.24Å; D88-K92 WeakPolarHBondContact O-CG 3.33Å; D88-K92 PolarHBondContact O-N 2.99Å
89E94.7Very high88.4Confident123 Ų12351.8 Ų51.858%0.57526%0.259SS*.Hα-helixtrans-61.7-43.4173.2-73.8175.1-175.300111.5Q85 W87 K92 H93Q85-E89 WeakPolarHBondContact O-CB 3.29Å; Q85-E89 VanDerWaalsContact O-CG 3.26Å; Q85-E89 WeakPolarHBondContact O-CG 3.38Å; Q85-E89 PolarHBondContact O-N 3.49Å; Q85-E89 VanDerWaalsContact O-N 3.08Å; W87-E89 VanDerWaalsContact C-N 3.31Å; W87-E89 PolarHBondContact O-N 3.18Å; E89-K92 PolarHBondContact O-N 3.1Å; E89-H93 WeakPolarHBondContact O-CB 3.4Å; E89-H93 PolarHBondContact O-N 2.76Å
90G94.5Very high87.9Confident2 Ų250.9 Ų50.92%0.02127%0.267CS..Hα-helixtrans-62.5-43.6176.600000112.7C86 W87 A94C86-G90 PolarHBondContact O-N 3.07Å; W87-G90 PolarHBondContact O-N 2.92Å; W87-G90 VanDerWaalsContact O-N 3.09Å; G90-A94 WeakPolarHBondContact O-CB 3.26Å; G90-A94 PolarHBondContact O-N 2.94Å; G90-A94 VanDerWaalsContact O-N 3.07Å
91V96.1Very high86.8Confident0 Ų059.8 Ų59.80%030%0.3CS..Hα-helixtrans-63.2-50.2175.9173.90000111I43 L45 H51 W87 D88 H93 A94 S95 M128I43-V91 HydrophobicContact CB-CG2 4.48Å; I43-V91 HydrophobicContact CD1-CG2 3.8Å; I43-V91 HydrophobicContact CG1-CG2 3.79Å; I43-V91 HydrophobicContact CG2-CB 4.49Å; I43-V91 HydrophobicContact CG2-CG1 3.96Å; I43-V91 HydrophobicContact CG2-CG2 3.97Å; L45-V91 HydrophobicContact CD2-CB 3.76Å; L45-V91 HydrophobicContact CD2-CG1 3.64Å; L45-V91 HydrophobicContact CD2-CG2 4.47Å; L45-V91 HydrophobicContact CG-CG1 4.29Å; H51-V91 HydrophobicContact CB-CG1 4.1Å; W87-V91 WeakPolarHBondContact O-CG2 3.41Å; W87-V91 PolarHBondContact O-N 2.77Å; D88-V91 PolarHBondContact O-N 3.09Å; V91-H93 PolarHBondContact O-N 3.39Å; V91-A94 PolarHBondContact O-N 3.48Å; V91-S95 PolarHBondContact O-N 3.32Å; V91-S95 PolarHBondContact O-OG 2.95Å; V91-M128 HydrophobicContact CG2-CE 4.3Å
92K95.4Very high86.1Confident99 Ų9955.9 Ų55.943%0.4328%0.281SS..Hα-helixtrans-62.3-44-179.6-73.1170-175.6168.90111.9L45 D88 E89 A94 S95 E96L45-K92 HydrophobicContact CD2-CG 4.2Å; D88-K92 WeakPolarHBondContact O-CB 3.49Å; D88-K92 VanDerWaalsContact O-CG 3.24Å; D88-K92 WeakPolarHBondContact O-CG 3.33Å; D88-K92 PolarHBondContact O-N 2.99Å; E89-K92 PolarHBondContact O-N 3.1Å; K92-A94 PolarHBondContact O-N 2.89Å; K92-S95 WeakPolarHBondContact O-CB 3.39Å; K92-S95 PolarHBondContact O-N 3.36Å; K92-S95 VanDerWaalsContact O-N 3.17Å; K92-E96 WeakPolarHBondContact O-CG 3.44Å; K92-E96 PolarHBondContact O-N 2.91Å
93H93.6Very high85.4Confident36 Ų3663 Ų6317%0.16729%0.291CS..Hα-helixtrans-56.5-50.4175.3-179.887.1000111E89 V91 S95 E96 V97 E104E89-H93 WeakPolarHBondContact O-CB 3.4Å; E89-H93 PolarHBondContact O-N 2.76Å; V91-H93 PolarHBondContact O-N 3.39Å; H93-S95 VanDerWaalsContact C-N 3.3Å; H93-S95 PolarHBondContact O-N 2.72Å; H93-E96 PolarHBondContact O-N 3.01Å; H93-V97 WeakPolarHBondContact O-CG2 3.45Å; H93-V97 PolarHBondContact O-N 3.08Å; H93-E104 IonicContact CE1-OE2 2.74Å; H93-E104 PolarHBondContact CE1-OE2 3.46Å; H93-E104 IonicContact NE2-OE2 3.31Å; H93-E104 PolarHBondContact NE2-OE2 2.93Å
94A92.8Very high85Confident0 Ų059.2 Ų59.20%028%0.276CS..Hα-helixtrans-60.2-42.1177.700000111.6G90 V91 K92 E96 V97 Y98 H120 L123 A124G90-A94 WeakPolarHBondContact O-CB 3.26Å; G90-A94 PolarHBondContact O-N 2.94Å; G90-A94 VanDerWaalsContact O-N 3.07Å; V91-A94 PolarHBondContact O-N 3.48Å; K92-A94 PolarHBondContact O-N 2.89Å; A94-E96 PolarHBondContact O-N 3.49Å; A94-V97 PolarHBondContact O-N 3.31Å; A94-Y98 WeakPolarHBondContact O-CD2 3.35Å; A94-Y98 PolarHBondContact O-N 2.65Å; A94-H120 PolarHBondContact O-CD2 3.2Å; A94-L123 HydrophobicContact CB-CB 4.19Å; A94-L123 HydrophobicContact CB-CD2 4.06Å; A94-L123 HydrophobicContact CB-CG 4.04Å; A94-A124 HydrophobicContact CB-CB 3.82Å
95S94Very high84.4Confident0 Ų056.7 Ų56.70%027%0.265CS..Hα-helixtrans-63-38.4175.7-64.70000113.2H51 V91 K92 H93 R99 H120H51-S95 PolarHBondContact ND1-OG 2.64Å; V91-S95 PolarHBondContact O-N 3.32Å; V91-S95 PolarHBondContact O-OG 2.95Å; K92-S95 WeakPolarHBondContact O-CB 3.39Å; K92-S95 PolarHBondContact O-N 3.36Å; K92-S95 VanDerWaalsContact O-N 3.17Å; H93-S95 VanDerWaalsContact C-N 3.3Å; H93-S95 PolarHBondContact O-N 2.72Å; S95-R99 VanDerWaalsContact O-CB 3.31Å; S95-R99 WeakPolarHBondContact O-CB 3.21Å; S95-R99 WeakPolarHBondContact O-CG 3.43Å; S95-R99 PolarHBondContact O-N 3.16Å; S95-H120 PolarHBondContact N-NE2 2.68Å; S95-H120 PolarHBondContact OG-NE2 3.35Å
96E92Very high83.2Confident93 Ų9355.1 Ų55.144%0.43526%0.264SS..Hα-helixtrans-66.8-44.1176.7-74171178.600111.9K92 H93 A94 R99 R101K92-E96 WeakPolarHBondContact O-CG 3.44Å; K92-E96 PolarHBondContact O-N 2.91Å; H93-E96 PolarHBondContact O-N 3.01Å; A94-E96 PolarHBondContact O-N 3.49Å; E96-R99 PolarHBondContact O-N 3.04Å; E96-R101 WeakPolarHBondContact O-CB 3.41Å; E96-R101 PolarHBondContact O-N 2.74Å
97V88.5Confident81.2Confident2 Ų263.1 Ų63.11%0.01229%0.291CS..Hα-helixtrans-56.4-54.3172.81750000109.5H93 A94 R99 G100 E104 L105 L123H93-V97 WeakPolarHBondContact O-CG2 3.45Å; H93-V97 PolarHBondContact O-N 3.08Å; A94-V97 PolarHBondContact O-N 3.31Å; V97-R99 PolarHBondContact O-N 3.15Å; V97-G100 PolarHBondContact O-N 3.14Å; V97-E104 HydrophobicContact CG1-CB 4.27Å; V97-E104 HydrophobicContact CG2-CB 4.09Å; V97-L105 HydrophobicContact CG1-CB 4.35Å; V97-L105 HydrophobicContact CG1-CG 4.23Å; V97-L105 WeakPolarHBondContact O-CD1 3.39Å; V97-L105 WeakPolarHBondContact O-CG 3.44Å; V97-L123 HydrophobicContact CB-CD2 3.89Å; V97-L123 HydrophobicContact CG1-CD2 3.85Å; V97-L123 HydrophobicContact CG2-CD2 4.15Å
98Y88.3Confident79.3Confident7 Ų767.9 Ų67.93%0.02731%0.311CS..Hα-helixtrans-70.1-15.6-177.7-86.7-93.7000114.5F53 Y57 A94 G100 D115 S119 H120 L123F53-Y98 HydrophobicContact CB-CD1 4.21Å; F53-Y98 AromaticContact CD1-CD1 3.92Å; F53-Y98 HydrophobicContact CD1-CD1 3.92Å; F53-Y98 HydrophobicContact CD1-CE1 4.17Å; F53-Y98 AromaticContact CD2-CD1 3.49Å; F53-Y98 HydrophobicContact CD2-CD1 3.49Å; F53-Y98 VanDerWaalsContact CD2-CD1 3.49Å; F53-Y98 HydrophobicContact CD2-CE1 4.49Å; F53-Y98 HydrophobicContact CD2-CG 4.1Å; F53-Y98 HydrophobicContact CE1-CD1 4.09Å; F53-Y98 HydrophobicContact CE1-CE1 4.28Å; F53-Y98 AromaticContact CE2-CD1 3.64Å; F53-Y98 HydrophobicContact CE2-CD1 3.64Å; F53-Y98 HydrophobicContact CE2-CG 4.44Å; F53-Y98 AromaticContact CG-CD1 3.6Å; F53-Y98 HydrophobicContact CG-CD1 3.6Å; F53-Y98 HydrophobicContact CG-CE1 4.26Å; F53-Y98 HydrophobicContact CG-CG 4.38Å; F53-Y98 AromaticContact CZ-CD1 3.94Å; F53-Y98 HydrophobicContact CZ-CD1 3.94Å; F53-Y98 HydrophobicContact CZ-CE1 4.47Å; Y57-Y98 VanDerWaalsContact CA-O 3.24Å; Y57-Y98 WeakPolarHBondContact CA-O 3.31Å; A94-Y98 WeakPolarHBondContact O-CD2 3.35Å; A94-Y98 PolarHBondContact O-N 2.65Å; Y98-G100 VanDerWaalsContact C-N 3.27Å; Y98-G100 PolarHBondContact O-N 2.95Å; Y98-D115 HydrophobicContact CE1-CB 4.48Å; Y98-D115 WeakPolarHBondContact CE1-OD1 3.5Å; Y98-D115 PolarHBondContact OH-OD1 3.29Å; Y98-S119 WeakPolarHBondContact OH-CB 3.28Å; Y98-H120 HydrophobicContact CD1-CB 4.18Å; Y98-H120 HydrophobicContact CD2-CB 3.85Å; Y98-H120 AromaticContact CD2-CD2 3.66Å; Y98-H120 HydrophobicContact CE1-CB 4.2Å; Y98-H120 VanDerWaalsContact CE2-CA 3.41Å; Y98-H120 HydrophobicContact CE2-CB 3.84Å; Y98-H120 HydrophobicContact CG-CB 4.02Å; Y98-H120 AromaticContact CG-CD2 3.9Å; Y98-H120 PolarHBondContact OH-N 3.1Å; Y98-L123 HydrophobicContact CD2-CD2 4.11Å; Y98-L123 HydrophobicContact CE2-CB 4.45Å; Y98-L123 HydrophobicContact CE2-CD2 3.86Å
99R88.5Confident77Confident58 Ų5871.7 Ų71.722%0.21933%0.329CS..THydrogen-bonded Turntrans-80.4-0.3170.4-80.1172.6177.3135.85.1114V59 E61 S95 E96 V97 R101V59-R99 HydrophobicContact CB-CG 4.11Å; V59-R99 HydrophobicContact CG2-CG 4.07Å; V59-R99 PolarHBondContact O-NH2 3.26Å; E61-R99 VanDerWaalsContact CD-NH2 3.35Å; E61-R99 VanDerWaalsContact CG-NH2 3.34Å; E61-R99 IonicContact OE1-CZ 2.68Å; E61-R99 IonicContact OE1-NH1 3.21Å; E61-R99 PolarHBondContact OE1-NH1 3.17Å; E61-R99 IonicContact OE1-NH2 3.63Å; E61-R99 PolarHBondContact OE1-NH2 3.28Å; S95-R99 VanDerWaalsContact O-CB 3.31Å; S95-R99 WeakPolarHBondContact O-CB 3.21Å; S95-R99 WeakPolarHBondContact O-CG 3.43Å; S95-R99 PolarHBondContact O-N 3.16Å; E96-R99 PolarHBondContact O-N 3.04Å; V97-R99 PolarHBondContact O-N 3.15Å; R99-R101 VanDerWaalsContact C-N 3.28Å; R99-R101 HydrophobicContact CB-CG 4.2Å
100G81.6Confident74.6Confident41 Ų4173.9 Ų73.942%0.42334%0.338SS..THydrogen-bonded Turntrans78.213-17400000113.8V97 Y98V97-G100 PolarHBondContact O-N 3.14Å; Y98-G100 VanDerWaalsContact C-N 3.27Å; Y98-G100 PolarHBondContact O-N 2.95Å
101R66.7Low72.3Confident197 Ų19777.9 Ų77.974%0.74336%0.359SS*.  trans-95.4-5.6-176.1-64.8-171.8179.6167.61114.2E96 R99E96-R101 WeakPolarHBondContact O-CB 3.41Å; E96-R101 PolarHBondContact O-N 2.74Å; R99-R101 VanDerWaalsContact C-N 3.28Å; R99-R101 HydrophobicContact CB-CG 4.2Å
102S66.8Low69.6Low31 Ų3186 Ų8622%0.21740%0.402CS..SBendtrans-122.1142.9176.7-630000112E104 L105S102-E104 PolarHBondContact O-N 3.08Å; S102-E104 VanDerWaalsContact O-N 3.12Å; S102-L105 PolarHBondContact O-N 2.83Å
103Y61.1Low67Low207 Ų20787.1 Ų87.181%0.81242%0.417SS*.THydrogen-bonded Turntrans-59.8-20.2176.6-63-84.7000113.5L105 V106Y103-L105 PolarHBondContact O-N 3.44Å; Y103-V106 VanDerWaalsContact O-CB 3.26Å; Y103-V106 WeakPolarHBondContact O-CB 3.21Å; Y103-V106 WeakPolarHBondContact O-CG2 3.22Å; Y103-V106 PolarHBondContact O-N 3.39Å
104E63.1Low64.9Low74 Ų7490 Ų9035%0.34643%0.433SS..THydrogen-bonded Turntrans-61.1-28.6179.7-159.2161.6-167.700112.6H93 V97 S102 V106 Y107 F108H93-E104 IonicContact CE1-OE2 2.74Å; H93-E104 PolarHBondContact CE1-OE2 3.46Å; H93-E104 IonicContact NE2-OE2 3.31Å; H93-E104 PolarHBondContact NE2-OE2 2.93Å; V97-E104 HydrophobicContact CG1-CB 4.27Å; V97-E104 HydrophobicContact CG2-CB 4.09Å; S102-E104 PolarHBondContact O-N 3.08Å; S102-E104 VanDerWaalsContact O-N 3.12Å; E104-V106 PolarHBondContact O-N 2.64Å; E104-Y107 PolarHBondContact O-N 3.14Å; E104-Y107 VanDerWaalsContact O-N 3.11Å; E104-F108 PolarHBondContact O-N 2.81Å
105L56.7Low63.3Low23 Ų2391.6 Ų91.612%0.1244%0.441CS..Hα-helixtrans-60.9-30.2175-130-175.7000112.2Y57 V97 S102 Y103 Y107 F108 Q109Y57-L105 HydrophobicContact CD1-CD1 3.99Å; Y57-L105 HydrophobicContact CE1-CD1 3.8Å; V97-L105 HydrophobicContact CG1-CB 4.35Å; V97-L105 HydrophobicContact CG1-CG 4.23Å; V97-L105 WeakPolarHBondContact O-CD1 3.39Å; V97-L105 WeakPolarHBondContact O-CG 3.44Å; S102-L105 PolarHBondContact O-N 2.83Å; Y103-L105 PolarHBondContact O-N 3.44Å; L105-Y107 PolarHBondContact O-N 3.09Å; L105-F108 PolarHBondContact O-N 3.35Å; L105-F108 VanDerWaalsContact O-N 3.15Å; L105-Q109 PolarHBondContact O-N 3.12Å
106V51.2Low62.7Low100 Ų10094 Ų9461%0.60645%0.454SS*.Hα-helixtrans-63.1-29.7178.5-178.90000111.5Y103 E104Y103-V106 VanDerWaalsContact O-CB 3.26Å; Y103-V106 WeakPolarHBondContact O-CB 3.21Å; Y103-V106 WeakPolarHBondContact O-CG2 3.22Å; Y103-V106 PolarHBondContact O-N 3.39Å; E104-V106 PolarHBondContact O-N 2.64Å
107Y50.7Low62.7Low204 Ų20490 Ų9080%0.844%0.437SS*.Hα-helixtrans-86.5-20.2177.4-73.3-81.5000113.5E104 L105E104-Y107 PolarHBondContact O-N 3.14Å; E104-Y107 VanDerWaalsContact O-N 3.11Å; L105-Y107 PolarHBondContact O-N 3.09Å
108F55Low62.9Low101 Ų10190.5 Ų90.544%0.44344%0.439SS..Hα-helixtrans-89.7-16.1-176.1-107.6-94.4000114.3E104 L105 H110E104-F108 PolarHBondContact O-N 2.81Å; L105-F108 PolarHBondContact O-N 3.35Å; L105-F108 VanDerWaalsContact O-N 3.15Å; F108-H110 PolarHBondContact O-N 2.82Å
109Q45.9Very low63Low108 Ų10890.8 Ų90.851%0.50544%0.441SS..THydrogen-bonded Turntrans-68.616.3-164.5-145.4170.911.300116.9Y57 L105Y57-Q109 PolarHBondContact OH-NE2 3.28Å; L105-Q109 PolarHBondContact O-N 3.12Å
110H45.2Very low63.2Low168 Ų16888 Ų8878%0.77843%0.431SS*.THydrogen-bonded Turntrans-93.91.3-175.3-77.2-53.2000116.1F108F108-H110 PolarHBondContact O-N 2.82Å
111N45.9Very low63.9Low87 Ų8786 Ų8647%0.46541%0.411SS..  trans-149.6100.5171.3-98.4-37.2000113.3V113 L114 D115N111-V113 PolarHBondContact O-N 3.39Å; N111-L114 HydrophobicContact CB-CB 3.56Å; N111-L114 HydrophobicContact CB-CD1 3.49Å; N111-L114 VanDerWaalsContact CB-CD1 3.49Å; N111-L114 HydrophobicContact CB-CG 3.51Å; N111-L114 WeakPolarHBondContact ND2-CD1 3.26Å; N111-L114 CarbonylContact O-C 3.52Å; N111-L114 WeakPolarHBondContact O-CA 3.42Å; N111-L114 PolarHBondContact O-N 3.3Å; N111-D115 PolarHBondContact O-N 3.47Å
112L38.8Very low65.2Low170 Ų17076.9 Ų76.989%0.8938%0.377SS*.THydrogen-bonded Turntrans-61.6-5.6171.1-81.1151.2000114.4
113V40.6Very low66.4Low122 Ų12276.3 Ų76.374%0.73937%0.371SS*.THydrogen-bonded Turntrans-97.5-19.7168.7-176.50000111.7N111 N116N111-V113 PolarHBondContact O-N 3.39Å; V113-N116 PolarHBondContact O-ND2 3.47Å
114L49.1Very low68.1Low96 Ų9666.4 Ų66.450%0.50333%0.333SS..THydrogen-bonded Turntrans-98.8-22.8179.1-62.3178.3000113.2N111 N116 S119N111-L114 HydrophobicContact CB-CB 3.56Å; N111-L114 HydrophobicContact CB-CD1 3.49Å; N111-L114 VanDerWaalsContact CB-CD1 3.49Å; N111-L114 HydrophobicContact CB-CG 3.51Å; N111-L114 WeakPolarHBondContact ND2-CD1 3.26Å; N111-L114 CarbonylContact O-C 3.52Å; N111-L114 WeakPolarHBondContact O-CA 3.42Å; N111-L114 PolarHBondContact O-N 3.3Å; L114-N116 VanDerWaalsContact C-N 3.33Å; L114-N116 PolarHBondContact O-N 3.18Å; L114-N116 VanDerWaalsContact O-N 3.1Å; L114-S119 VanDerWaalsContact O-CB 3.24Å; L114-S119 WeakPolarHBondContact O-CB 3.37Å; L114-S119 PolarHBondContact O-OG 2.97Å
115D60.1Low69.6Low35 Ų3562.9 Ų62.919%0.18732%0.316CS..SBendtrans-86.274.8173.5-98.9-27.1000111.4Y98 N111Y98-D115 HydrophobicContact CE1-CB 4.48Å; Y98-D115 WeakPolarHBondContact CE1-OD1 3.5Å; Y98-D115 PolarHBondContact OH-OD1 3.29Å; N111-D115 PolarHBondContact O-N 3.47Å
116N81.4Confident71.4Confident50 Ų5063.6 Ų63.627%0.26732%0.32SS..SBendtrans-119.7179.9177.363.551.2000110.5V113 L114 H118 S119 H120V113-N116 PolarHBondContact O-ND2 3.47Å; L114-N116 VanDerWaalsContact C-N 3.33Å; L114-N116 PolarHBondContact O-N 3.18Å; L114-N116 VanDerWaalsContact O-N 3.1Å; N116-H118 PolarHBondContact O-N 3.24Å; N116-H118 VanDerWaalsContact O-N 3.16Å; N116-H118 WeakPolarHBondContact OD1-CA 3.47Å; N116-H118 WeakPolarHBondContact OD1-CB 3.47Å; N116-H118 PolarHBondContact OD1-N 3.42Å; N116-S119 PolarHBondContact O-N 3.16Å; N116-S119 PolarHBondContact OD1-N 3.47Å; N116-H120 PolarHBondContact O-N 2.91Å
117C91.2Very high73.4Confident10 Ų1066.5 Ų66.57%0.06832%0.32CS..Hα-helixtrans-53.8-31.7177.855.60000114.6H40 V41 H120 V121H40-C117 VanDerWaalsContact CE1-CB 3.45Å; H40-C117 WeakPolarHBondContact CE1-CB 3.49Å; H40-C117 WeakPolarHBondContact ND1-CB 3.23Å; H40-C117 PolarHBondContact ND1-SG 3.37Å; V41-C117 VanDerWaalsContact CG2-C 3.49Å; V41-C117 HydrophobicContact CG2-CB 4.03Å; V41-C117 WeakPolarHBondContact CG2-O 3.22Å; V41-C117 WeakPolarHBondContact O-CB 3.47Å; C117-H120 PolarHBondContact O-N 3.34Å; C117-V121 WeakPolarHBondContact O-CG2 3.21Å; C117-V121 PolarHBondContact O-N 2.82Å
118H92.5Very high75.4Confident12 Ų1257 Ų576%0.05628%0.283CS..Hα-helixtrans-71-35.2177-64.770.3000112.1G39 V41 N116 H120 V121 C122 P138 L141G39-H118 PolarHBondContact O-CE1 2.88Å; V41-H118 HydrophobicContact CG2-CB 4.13Å; N116-H118 PolarHBondContact O-N 3.24Å; N116-H118 VanDerWaalsContact O-N 3.16Å; N116-H118 WeakPolarHBondContact OD1-CA 3.47Å; N116-H118 WeakPolarHBondContact OD1-CB 3.47Å; N116-H118 PolarHBondContact OD1-N 3.42Å; H118-H120 VanDerWaalsContact C-N 3.35Å; H118-V121 PolarHBondContact O-N 2.85Å; H118-C122 WeakPolarHBondContact O-CB 3.37Å; H118-C122 PolarHBondContact O-N 3.26Å; H118-C122 PolarHBondContact O-SG 2.92Å; H118-P138 HydrophobicContact CB-CB 3.73Å; H118-P138 HydrophobicContact CB-CG 4.27Å; H118-L141 HydrophobicContact CB-CD2 4.03Å
119S90.6Very high77.3Confident12 Ų1252.9 Ų52.98%0.08427%0.267CS..Hα-helixtrans-70-34.4177.2-65.50000111.8Y98 L114 N116 C122 L123 P138Y98-S119 WeakPolarHBondContact OH-CB 3.28Å; L114-S119 VanDerWaalsContact O-CB 3.24Å; L114-S119 WeakPolarHBondContact O-CB 3.37Å; L114-S119 PolarHBondContact O-OG 2.97Å; N116-S119 PolarHBondContact O-N 3.16Å; N116-S119 PolarHBondContact OD1-N 3.47Å; S119-C122 PolarHBondContact O-N 3.2Å; S119-L123 WeakPolarHBondContact O-CB 3.26Å; S119-L123 PolarHBondContact O-N 3.29Å; S119-P138 WeakPolarHBondContact OG-CG 3.37Å
120H93.3Very high79.7Confident0 Ų048 Ų480%024%0.244CC..Hα-helixtrans-57.9-49.3169170-106.2000112F53 A94 S95 Y98 N116 C117 H118 L123 A124F53-H120 HydrophobicContact CB-CB 3.86Å; A94-H120 PolarHBondContact O-CD2 3.2Å; S95-H120 PolarHBondContact N-NE2 2.68Å; S95-H120 PolarHBondContact OG-NE2 3.35Å; Y98-H120 HydrophobicContact CD1-CB 4.18Å; Y98-H120 HydrophobicContact CD2-CB 3.85Å; Y98-H120 AromaticContact CD2-CD2 3.66Å; Y98-H120 HydrophobicContact CE1-CB 4.2Å; Y98-H120 VanDerWaalsContact CE2-CA 3.41Å; Y98-H120 HydrophobicContact CE2-CB 3.84Å; Y98-H120 HydrophobicContact CG-CB 4.02Å; Y98-H120 AromaticContact CG-CD2 3.9Å; Y98-H120 PolarHBondContact OH-N 3.1Å; N116-H120 PolarHBondContact O-N 2.91Å; C117-H120 PolarHBondContact O-N 3.34Å; H118-H120 VanDerWaalsContact C-N 3.35Å; H120-L123 PolarHBondContact O-N 3.49Å; H120-A124 PolarHBondContact O-N 3.23Å
121V95.6Very high82Confident0 Ų043.1 Ų43.10%022%0.224CC..Hα-helixtrans-65.3-41.9176.4176.40000111.7I23 V41 I43 C117 H118 L123 A124 L125 L141I23-V121 HydrophobicContact CD1-CG1 4.31Å; I23-V121 HydrophobicContact CG1-CG1 4.13Å; I23-V121 HydrophobicContact CG2-CG1 4.25Å; V41-V121 HydrophobicContact CB-CG2 4.33Å; V41-V121 HydrophobicContact CG2-CG2 3.89Å; I43-V121 HydrophobicContact CB-CG1 4.3Å; I43-V121 HydrophobicContact CB-CG2 4.07Å; I43-V121 HydrophobicContact CD1-CG1 4.37Å; I43-V121 HydrophobicContact CG2-CG2 4.23Å; C117-V121 WeakPolarHBondContact O-CG2 3.21Å; C117-V121 PolarHBondContact O-N 2.82Å; H118-V121 PolarHBondContact O-N 2.85Å; V121-L123 VanDerWaalsContact C-N 3.33Å; V121-L123 PolarHBondContact O-N 3.18Å; V121-A124 WeakPolarHBondContact O-CB 3.48Å; V121-A124 PolarHBondContact O-N 2.88Å; V121-L125 HydrophobicContact CG1-CD1 4.1Å; V121-L125 HydrophobicContact CG1-CG 4.35Å; V121-L125 WeakPolarHBondContact O-CG 3.38Å; V121-L125 PolarHBondContact O-N 2.83Å; V121-L141 HydrophobicContact CB-CD2 3.61Å; V121-L141 HydrophobicContact CG1-CD1 4.1Å; V121-L141 HydrophobicContact CG1-CD2 3.52Å; V121-L141 HydrophobicContact CG1-CG 4.48Å
122C94.6Very high84.2Confident4 Ų446.8 Ų46.83%0.02724%0.238CC..Hα-helixtrans-62.8-39.4177.7-69.60000111.8H118 S119 A124 L125 N126 W136H118-C122 WeakPolarHBondContact O-CB 3.37Å; H118-C122 PolarHBondContact O-N 3.26Å; H118-C122 PolarHBondContact O-SG 2.92Å; S119-C122 PolarHBondContact O-N 3.2Å; C122-A124 VanDerWaalsContact C-N 3.32Å; C122-A124 PolarHBondContact O-N 2.9Å; C122-L125 PolarHBondContact O-N 3.46Å; C122-N126 VanDerWaalsContact O-CB 3.26Å; C122-N126 WeakPolarHBondContact O-CB 3.24Å; C122-N126 PolarHBondContact O-N 3Å; C122-N126 PolarHBondContact O-ND2 3.3Å; C122-N126 VanDerWaalsContact O-ND2 3.12Å; C122-W136 HydrophobicContact CB-CB 4.19Å
123L93Very high86.8Confident19 Ų1940.2 Ų40.210%0.09921%0.206CC..Hα-helixtrans-60-44.4175.3179.261000110.9A94 V97 Y98 S119 H120 V121 N126 R127A94-L123 HydrophobicContact CB-CB 4.19Å; A94-L123 HydrophobicContact CB-CD2 4.06Å; A94-L123 HydrophobicContact CB-CG 4.04Å; V97-L123 HydrophobicContact CB-CD2 3.89Å; V97-L123 HydrophobicContact CG1-CD2 3.85Å; V97-L123 HydrophobicContact CG2-CD2 4.15Å; Y98-L123 HydrophobicContact CD2-CD2 4.11Å; Y98-L123 HydrophobicContact CE2-CB 4.45Å; Y98-L123 HydrophobicContact CE2-CD2 3.86Å; S119-L123 WeakPolarHBondContact O-CB 3.26Å; S119-L123 PolarHBondContact O-N 3.29Å; H120-L123 PolarHBondContact O-N 3.49Å; V121-L123 VanDerWaalsContact C-N 3.33Å; V121-L123 PolarHBondContact O-N 3.18Å; L123-N126 PolarHBondContact O-N 2.96Å; L123-R127 VanDerWaalsContact O-CB 3.28Å; L123-R127 WeakPolarHBondContact O-CB 3.42Å; L123-R127 PolarHBondContact O-N 2.52Å
124A94.9Very high89.3Confident0 Ų039.2 Ų39.20%020%0.2CC..Hα-helixtrans-60.4-50.9175.100000111.3I43 A94 H120 V121 C122 N126 R127 M128I43-A124 HydrophobicContact CD1-CB 3.95Å; I43-A124 HydrophobicContact CG2-CB 4.43Å; A94-A124 HydrophobicContact CB-CB 3.82Å; H120-A124 PolarHBondContact O-N 3.23Å; V121-A124 WeakPolarHBondContact O-CB 3.48Å; V121-A124 PolarHBondContact O-N 2.88Å; C122-A124 VanDerWaalsContact C-N 3.32Å; C122-A124 PolarHBondContact O-N 2.9Å; A124-N126 VanDerWaalsContact C-N 3.32Å; A124-N126 PolarHBondContact O-N 3.21Å; A124-R127 WeakPolarHBondContact O-CB 3.38Å; A124-R127 PolarHBondContact O-N 3.36Å; A124-M128 HydrophobicContact CB-CE 4.02Å; A124-M128 WeakPolarHBondContact O-CE 3.37Å; A124-M128 WeakPolarHBondContact O-CG 3.34Å; A124-M128 PolarHBondContact O-N 3.01Å; A124-M128 VanDerWaalsContact O-N 3.09Å
125L95.8Very high91.4Very high0 Ų039.1 Ų39.10%021%0.208CC..Hα-helixtrans-60.6-40.4-179.7-67.2175.1000112.5I23 I43 W87 V121 C122 M128 A129 Y130 W136 L141 W144I23-L125 HydrophobicContact CD1-CD1 3.97Å; I23-L125 HydrophobicContact CD1-CD2 4.25Å; I43-L125 HydrophobicContact CD1-CD2 4.35Å; W87-L125 HydrophobicContact CH2-CD2 4.4Å; W87-L125 HydrophobicContact CZ3-CD2 4.33Å; V121-L125 HydrophobicContact CG1-CD1 4.1Å; V121-L125 HydrophobicContact CG1-CG 4.35Å; V121-L125 WeakPolarHBondContact O-CG 3.38Å; V121-L125 PolarHBondContact O-N 2.83Å; C122-L125 PolarHBondContact O-N 3.46Å; L125-M128 HydrophobicContact CD2-SD 4.3Å; L125-M128 WeakPolarHBondContact O-CG 3.36Å; L125-M128 PolarHBondContact O-N 3.44Å; L125-A129 PolarHBondContact O-N 3.07Å; L125-A129 VanDerWaalsContact O-N 3.07Å; L125-Y130 HydrophobicContact CD2-CD1 4.16Å; L125-Y130 HydrophobicContact CD2-CG 3.96Å; L125-Y130 PolarHBondContact O-N 2.86Å; L125-W136 HydrophobicContact CB-CB 4.23Å; L125-W136 HydrophobicContact CB-CD2 4.25Å; L125-W136 HydrophobicContact CB-CG 3.78Å; L125-W136 HydrophobicContact CD1-CD2 3.76Å; L125-W136 HydrophobicContact CD1-CE3 3.89Å; L125-W136 HydrophobicContact CD1-CG 4.04Å; L125-W136 HydrophobicContact CD1-CZ3 4.46Å; L125-L141 HydrophobicContact CD1-CD1 4.11Å; L125-W144 HydrophobicContact CD1-CZ3 4.24Å
126N94.5Very high93Very high38 Ų3838.7 Ų38.720%0.20320%0.204CC..Hα-helixtrans-67.3-40.3176.8-71.3-24.9000111.6C122 L123 A124 M128 A129 T134 S135 W136C122-N126 VanDerWaalsContact O-CB 3.26Å; C122-N126 WeakPolarHBondContact O-CB 3.24Å; C122-N126 PolarHBondContact O-N 3Å; C122-N126 PolarHBondContact O-ND2 3.3Å; C122-N126 VanDerWaalsContact O-ND2 3.12Å; L123-N126 PolarHBondContact O-N 2.96Å; A124-N126 VanDerWaalsContact C-N 3.32Å; A124-N126 PolarHBondContact O-N 3.21Å; N126-M128 VanDerWaalsContact C-N 3.3Å; N126-M128 PolarHBondContact O-N 3.17Å; N126-A129 PolarHBondContact O-N 2.85Å; N126-A129 VanDerWaalsContact O-N 3.16Å; N126-T134 VanDerWaalsContact CG-C 3.43Å; N126-T134 PolarHBondContact OD1-O 2.95Å; N126-S135 PolarHBondContact OD1-N 2.87Å; N126-S135 VanDerWaalsContact OD1-N 3.09Å; N126-W136 PolarHBondContact ND2-O 3.02Å; N126-W136 VanDerWaalsContact ND2-O 3.1Å; N126-W136 WeakPolarHBondContact OD1-CA 3.45Å; N126-W136 WeakPolarHBondContact OD1-CB 3.36Å; N126-W136 PolarHBondContact OD1-N 3.49Å
127R92.4Very high93.6Very high160 Ų16038.4 Ų38.460%0.60421%0.206SC*.Hα-helixtrans-62.4-39178.4-177.359.7178-172.81.5112.2L123 A124 A129L123-R127 VanDerWaalsContact O-CB 3.28Å; L123-R127 WeakPolarHBondContact O-CB 3.42Å; L123-R127 PolarHBondContact O-N 2.52Å; A124-R127 WeakPolarHBondContact O-CB 3.38Å; A124-R127 PolarHBondContact O-N 3.36Å; R127-A129 VanDerWaalsContact C-N 3.32Å
128M94Very high93.6Very high5 Ų539.6 Ų39.63%0.02521%0.213CC..THydrogen-bonded Turntrans-90.34.5178.672.2-176.57300113.6I43 V80 N81 W87 V91 A124 L125 N126 Y130I43-M128 HydrophobicContact CD1-CE 4.21Å; V80-M128 HydrophobicContact CG1-CB 4.08Å; V80-M128 HydrophobicContact CG2-SD 4.25Å; N81-M128 PolarHBondContact N-O 3.04Å; W87-M128 HydrophobicContact CD2-CE 4.08Å; W87-M128 HydrophobicContact CD2-SD 3.86Å; W87-M128 HydrophobicContact CE3-CE 3.97Å; W87-M128 HydrophobicContact CE3-SD 3.18Å; W87-M128 HydrophobicContact CG-CE 4.46Å; W87-M128 HydrophobicContact CG-SD 4.48Å; W87-M128 HydrophobicContact CH2-SD 4.43Å; W87-M128 HydrophobicContact CZ3-CE 4.32Å; W87-M128 HydrophobicContact CZ3-SD 3.52Å; W87-M128 VanDerWaalsContact CZ3-SD 3.52Å; V91-M128 HydrophobicContact CG2-CE 4.3Å; A124-M128 HydrophobicContact CB-CE 4.02Å; A124-M128 WeakPolarHBondContact O-CE 3.37Å; A124-M128 WeakPolarHBondContact O-CG 3.34Å; A124-M128 PolarHBondContact O-N 3.01Å; A124-M128 VanDerWaalsContact O-N 3.09Å; L125-M128 HydrophobicContact CD2-SD 4.3Å; L125-M128 WeakPolarHBondContact O-CG 3.36Å; L125-M128 PolarHBondContact O-N 3.44Å; N126-M128 VanDerWaalsContact C-N 3.3Å; N126-M128 PolarHBondContact O-N 3.17Å; M128-Y130 PolarHBondContact O-N 3.1Å
129A94.2Very high93.6Very high14 Ų1443.5 Ų43.512%0.11624%0.237CC..THydrogen-bonded Turntrans45.744.9-176.200000113.4N81 L125 N126 R127 D131 H132 S133 T134N81-A129 HydrophobicContact CB-CB 3.87Å; L125-A129 PolarHBondContact O-N 3.07Å; L125-A129 VanDerWaalsContact O-N 3.07Å; N126-A129 PolarHBondContact O-N 2.85Å; N126-A129 VanDerWaalsContact O-N 3.16Å; R127-A129 VanDerWaalsContact C-N 3.32Å; A129-D131 PolarHBondContact O-N 3.26Å; A129-H132 PolarHBondContact O-N 3.38Å; A129-S133 CarbonylContact C-O 3.57Å; A129-S133 VanDerWaalsContact CA-O 3.29Å; A129-S133 WeakPolarHBondContact CA-O 3.47Å; A129-T134 HydrophobicContact CB-CG2 3.77Å
130Y95.2Very high93.8Very high6 Ų646.7 Ų46.72%0.02426%0.256CS..G310 helixtrans-61.1132.5-174.4-176.6-94.1000111.2C75 Q76 K79 V80 W87 L125 M128 H132 S133 W136 W144C75-Y130 WeakPolarHBondContact CA-OH 3.37Å; C75-Y130 HydrophobicContact CB-CE2 3.62Å; C75-Y130 WeakPolarHBondContact CB-OH 3.25Å; Q76-Y130 PolarHBondContact N-OH 3.49Å; Q76-Y130 VanDerWaalsContact N-OH 3.14Å; Q76-Y130 WeakPolarHBondContact O-CE2 3.14Å; K79-Y130 HydrophobicContact CB-CD2 3.97Å; K79-Y130 HydrophobicContact CB-CE1 4.39Å; K79-Y130 HydrophobicContact CB-CE2 3.56Å; K79-Y130 HydrophobicContact CD-CE1 4.17Å; K79-Y130 HydrophobicContact CD-CE2 4.38Å; K79-Y130 CarbonylContact O-C 3.55Å; K79-Y130 WeakPolarHBondContact O-CA 3.24Å; V80-Y130 HydrophobicContact CG2-CD2 3.94Å; V80-Y130 HydrophobicContact CG2-CE2 4.5Å; W87-Y130 AromaticContact CZ3-CD2 3.96Å; W87-Y130 HydrophobicContact CZ3-CD2 3.96Å; W87-Y130 HydrophobicContact CZ3-CE2 4.13Å; L125-Y130 HydrophobicContact CD2-CD1 4.16Å; L125-Y130 HydrophobicContact CD2-CG 3.96Å; L125-Y130 PolarHBondContact O-N 2.86Å; M128-Y130 PolarHBondContact O-N 3.1Å; Y130-H132 VanDerWaalsContact C-N 3.27Å; Y130-H132 PolarHBondContact O-N 3.34Å; Y130-S133 PolarHBondContact O-N 3.1Å; Y130-W136 AromaticContact CD1-CZ2 3.69Å; Y130-W136 HydrophobicContact CD1-CZ2 3.69Å; Y130-W136 HydrophobicContact CE1-CZ2 4.22Å; Y130-W136 PolarHBondContact O-NE1 2.64Å; Y130-W144 HydrophobicContact CD1-CH2 4.12Å; Y130-W144 AromaticContact CE1-CH2 3.38Å; Y130-W144 HydrophobicContact CE1-CH2 3.38Å; Y130-W144 HydrophobicContact CE1-CZ2 4.06Å; Y130-W144 HydrophobicContact CE1-CZ3 4.23Å
131D94Very high93.8Very high65 Ų6546.7 Ų46.735%0.34826%0.256SS..G310 helixtrans58.538.2-176.8-14922.2000112.7K79 A129 S133 W136K79-D131 HydrophobicContact CB-CB 4.49Å; K79-D131 HydrophobicContact CD-CB 4.27Å; K79-D131 WeakPolarHBondContact CD-OD1 3.35Å; K79-D131 WeakPolarHBondContact CE-OD1 3.05Å; K79-D131 IonicContact NZ-OD1 2.8Å; K79-D131 PolarHBondContact NZ-OD1 3.36Å; K79-D131 IonicContact NZ-OD2 3.78Å; K79-D131 PolarHBondContact NZ-OD2 3Å; K79-D131 PolarHBondContact O-N 3.47Å; A129-D131 PolarHBondContact O-N 3.26Å; D131-S133 PolarHBondContact O-N 2.8Å; D131-W136 HydrophobicContact CB-CZ2 4.25Å
132H91.9Very high93.7Very high165 Ų16547.2 Ų47.276%0.76426%0.26SS*.G310 helixtrans6021.9-178.1-49.3-71.1000114.3A129 Y130A129-H132 PolarHBondContact O-N 3.38Å; Y130-H132 VanDerWaalsContact C-N 3.27Å; Y130-H132 PolarHBondContact O-N 3.34Å
133S93.7Very high93.7Very high31 Ų3151.3 Ų51.322%0.21728%0.277CS..  trans-120.4134.6-178-1790000111.9A129 Y130 D131 S135A129-S133 CarbonylContact C-O 3.57Å; A129-S133 VanDerWaalsContact CA-O 3.29Å; A129-S133 WeakPolarHBondContact CA-O 3.47Å; Y130-S133 PolarHBondContact O-N 3.1Å; D131-S133 PolarHBondContact O-N 2.8Å; S133-S135 PolarHBondContact OG-N 3.29Å; S133-S135 PolarHBondContact OG-OG 3.38Å
134T93.5Very high93.9Very high101 Ų10152.8 Ų52.862%0.6228%0.282SS*.SBendtrans-112.514.7169.956.60000112.1N126 A129N126-T134 VanDerWaalsContact CG-C 3.43Å; N126-T134 PolarHBondContact OD1-O 2.95Å; A129-T134 HydrophobicContact CB-CG2 3.77Å
135S93.3Very high93.9Very high94 Ų9452.9 Ų52.966%0.65728%0.282SS*.  trans-126.628.8-175.959.10000113.3N126 S133 S137N126-S135 PolarHBondContact OD1-N 2.87Å; N126-S135 VanDerWaalsContact OD1-N 3.09Å; S133-S135 PolarHBondContact OG-N 3.29Å; S133-S135 PolarHBondContact OG-OG 3.38Å; S135-S137 PolarHBondContact O-N 3.48Å
136W94.2Very high93.8Very high27 Ų2755.2 Ų55.210%0.10229%0.293CS..  trans-51.6128.5166.3-72.988.6000110C122 L125 N126 Y130 D131 V140 W144C122-W136 HydrophobicContact CB-CB 4.19Å; L125-W136 HydrophobicContact CB-CB 4.23Å; L125-W136 HydrophobicContact CB-CD2 4.25Å; L125-W136 HydrophobicContact CB-CG 3.78Å; L125-W136 HydrophobicContact CD1-CD2 3.76Å; L125-W136 HydrophobicContact CD1-CE3 3.89Å; L125-W136 HydrophobicContact CD1-CG 4.04Å; L125-W136 HydrophobicContact CD1-CZ3 4.46Å; N126-W136 PolarHBondContact ND2-O 3.02Å; N126-W136 VanDerWaalsContact ND2-O 3.1Å; N126-W136 WeakPolarHBondContact OD1-CA 3.45Å; N126-W136 WeakPolarHBondContact OD1-CB 3.36Å; N126-W136 PolarHBondContact OD1-N 3.49Å; Y130-W136 AromaticContact CD1-CZ2 3.69Å; Y130-W136 HydrophobicContact CD1-CZ2 3.69Å; Y130-W136 HydrophobicContact CE1-CZ2 4.22Å; Y130-W136 PolarHBondContact O-NE1 2.64Å; D131-W136 HydrophobicContact CB-CZ2 4.25Å; W136-V140 HydrophobicContact CE3-CG1 4.18Å; W136-V140 HydrophobicContact CZ3-CG1 4.01Å; W136-W144 HydrophobicContact CE3-CE3 4.2Å; W136-W144 HydrophobicContact CE3-CZ3 4.39Å; W136-W144 AromaticContact CH2-CD2 3.81Å; W136-W144 HydrophobicContact CH2-CD2 3.81Å; W136-W144 AromaticContact CH2-CE3 3.29Å; W136-W144 HydrophobicContact CH2-CE3 3.29Å; W136-W144 AromaticContact CH2-CH2 3.83Å; W136-W144 HydrophobicContact CH2-CH2 3.83Å; W136-W144 HydrophobicContact CH2-CZ2 4.29Å; W136-W144 AromaticContact CH2-CZ3 3.27Å; W136-W144 HydrophobicContact CH2-CZ3 3.27Å; W136-W144 HydrophobicContact CZ2-CE3 4.41Å; W136-W144 HydrophobicContact CZ2-CH2 4.39Å; W136-W144 HydrophobicContact CZ2-CZ3 4.02Å; W136-W144 AromaticContact CZ3-CD2 3.86Å; W136-W144 HydrophobicContact CZ3-CD2 3.86Å; W136-W144 AromaticContact CZ3-CE3 3.15Å; W136-W144 HydrophobicContact CZ3-CE3 3.15Å; W136-W144 HydrophobicContact CZ3-CH2 4.47Å; W136-W144 AromaticContact CZ3-CZ3 3.51Å; W136-W144 HydrophobicContact CZ3-CZ3 3.51Å
137S92.9Very high93.8Very high44 Ų4460.4 Ų60.431%0.30831%0.314SS..  trans-119.5151.7178.369.80000110.5S135 V139 V140 L141S135-S137 PolarHBondContact O-N 3.48Å; S137-V139 PolarHBondContact O-N 2.85Å; S137-V139 VanDerWaalsContact O-N 3.14Å; S137-V140 PolarHBondContact O-N 3.43Å; S137-V140 VanDerWaalsContact O-N 3.08Å; S137-V140 WeakPolarHBondContact OG-CG2 3.29Å; S137-V140 PolarHBondContact OG-N 2.95Å; S137-L141 PolarHBondContact O-N 3.18Å
138P91.9Very high93.9Very high34 Ų3459.9 Ų59.922%0.22132%0.316CS..Hα-helixtrans-51.7-38178.3-33.939.2000114.1H118 S119 L141 C142H118-P138 HydrophobicContact CB-CB 3.73Å; H118-P138 HydrophobicContact CB-CG 4.27Å; S119-P138 WeakPolarHBondContact OG-CG 3.37Å; P138-L141 PolarHBondContact O-N 2.57Å; P138-C142 WeakPolarHBondContact O-CB 3.2Å; P138-C142 PolarHBondContact O-N 2.81Å
139V91.7Very high93.9Very high94 Ų9460.1 Ų60.157%0.5732%0.319SS*.Hα-helixtrans-65.5-47.8179.31800000110.9S137 L141 C142 F143S137-V139 PolarHBondContact O-N 2.85Å; S137-V139 VanDerWaalsContact O-N 3.14Å; V139-L141 VanDerWaalsContact C-N 3.34Å; V139-L141 PolarHBondContact O-N 3.38Å; V139-C142 PolarHBondContact O-N 3.17Å; V139-F143 HydrophobicContact CG1-CD2 3.94Å; V139-F143 HydrophobicContact CG1-CE2 3.78Å; V139-F143 VanDerWaalsContact O-CD2 3.22Å; V139-F143 WeakPolarHBondContact O-CD2 3.16Å; V139-F143 PolarHBondContact O-N 2.88Å; V139-F143 VanDerWaalsContact O-N 3.14Å
140V94.4Very high93.9Very high79 Ų7967.7 Ų67.748%0.47935%0.345SS..Hα-helixtrans-62.9-44177.6172.80000110.4W136 S137 C142 F143 W144W136-V140 HydrophobicContact CE3-CG1 4.18Å; W136-V140 HydrophobicContact CZ3-CG1 4.01Å; S137-V140 PolarHBondContact O-N 3.43Å; S137-V140 VanDerWaalsContact O-N 3.08Å; S137-V140 WeakPolarHBondContact OG-CG2 3.29Å; S137-V140 PolarHBondContact OG-N 2.95Å; V140-C142 PolarHBondContact O-N 3.46Å; V140-F143 PolarHBondContact O-N 3.02Å; V140-W144 VanDerWaalsContact O-CB 3.23Å; V140-W144 WeakPolarHBondContact O-CB 3.47Å; V140-W144 PolarHBondContact O-N 2.97Å
141L94.8Very high93.8Very high0 Ų071.5 Ų71.50%036%0.36CS..Hα-helixtrans-60.5-45.8177.5179.764.3000111.8I23 V41 H118 V121 L125 S137 P138 V139 F143 W144 V145I23-L141 HydrophobicContact CD1-CD1 3.93Å; I23-L141 HydrophobicContact CG2-CD1 4.28Å; V41-L141 HydrophobicContact CG2-CD2 4.42Å; H118-L141 HydrophobicContact CB-CD2 4.03Å; V121-L141 HydrophobicContact CB-CD2 3.61Å; V121-L141 HydrophobicContact CG1-CD1 4.1Å; V121-L141 HydrophobicContact CG1-CD2 3.52Å; V121-L141 HydrophobicContact CG1-CG 4.48Å; L125-L141 HydrophobicContact CD1-CD1 4.11Å; S137-L141 PolarHBondContact O-N 3.18Å; P138-L141 PolarHBondContact O-N 2.57Å; V139-L141 VanDerWaalsContact C-N 3.34Å; V139-L141 PolarHBondContact O-N 3.38Å; L141-F143 PolarHBondContact O-N 2.78Å; L141-W144 HydrophobicContact CD1-CE3 4.01Å; L141-W144 HydrophobicContact CD1-CZ3 4.48Å; L141-W144 PolarHBondContact O-N 2.9Å; L141-V145 HydrophobicContact CD1-CG2 4.04Å; L141-V145 HydrophobicContact CG-CG2 4.41Å; L141-V145 WeakPolarHBondContact O-CB 3.48Å; L141-V145 WeakPolarHBondContact O-CG2 3.37Å; L141-V145 PolarHBondContact O-N 3.47Å
142C93.5Very high93.8Very high12 Ų1269.6 Ų69.68%0.08135%0.35CS..Hα-helixtrans-57-50.3179.2179.70000111.4F37 P138 V139 V140 F146F37-C142 VanDerWaalsContact C-SG 3.53Å; F37-C142 PolarHBondContact O-SG 2.71Å; P138-C142 WeakPolarHBondContact O-CB 3.2Å; P138-C142 PolarHBondContact O-N 2.81Å; V139-C142 PolarHBondContact O-N 3.17Å; V140-C142 PolarHBondContact O-N 3.46Å; C142-F146 WeakPolarHBondContact O-CB 3.2Å; C142-F146 PolarHBondContact O-N 3.15Å
143F94.9Very high93.5Very high89 Ų8967.7 Ų67.739%0.3934%0.336SS..Hα-helixtrans-68.2-36.7176-74.7-65000113F37 V139 V140 L141 F146 F147F37-F143 HydrophobicContact CG-CE1 4.45Å; V139-F143 HydrophobicContact CG1-CD2 3.94Å; V139-F143 HydrophobicContact CG1-CE2 3.78Å; V139-F143 VanDerWaalsContact O-CD2 3.22Å; V139-F143 WeakPolarHBondContact O-CD2 3.16Å; V139-F143 PolarHBondContact O-N 2.88Å; V139-F143 VanDerWaalsContact O-N 3.14Å; V140-F143 PolarHBondContact O-N 3.02Å; L141-F143 PolarHBondContact O-N 2.78Å; F143-F146 PolarHBondContact O-N 3.11Å; F143-F147 HydrophobicContact CB-CD2 4.32Å; F143-F147 HydrophobicContact CD1-CD2 4.29Å; F143-F147 AromaticContact CD1-CE2 3.71Å; F143-F147 HydrophobicContact CD1-CE2 3.71Å; F143-F147 HydrophobicContact CE1-CE2 4.47Å; F143-F147 VanDerWaalsContact O-CD2 3.28Å; F143-F147 WeakPolarHBondContact O-CD2 2.85Å; F143-F147 PolarHBondContact O-N 3.25Å
144W96Very high92.7Very high51 Ų5177.2 Ų77.219%0.19337%0.369CS..Hα-helixtrans-61.6-50.4178.6-175.934.4000111I23 I73 L125 Y130 W136 V140 L141 F146 F147 K148I23-W144 HydrophobicContact CD1-CE3 4.08Å; I23-W144 HydrophobicContact CD1-CH2 4.01Å; I23-W144 HydrophobicContact CD1-CZ3 3.4Å; I73-W144 HydrophobicContact CD1-CD2 3.94Å; I73-W144 HydrophobicContact CD1-CG 4.03Å; I73-W144 HydrophobicContact CD1-CZ2 4.48Å; I73-W144 WeakPolarHBondContact CD1-O 3.49Å; I73-W144 HydrophobicContact CG2-CH2 4.4Å; I73-W144 HydrophobicContact CG2-CZ2 3.98Å; L125-W144 HydrophobicContact CD1-CZ3 4.24Å; Y130-W144 HydrophobicContact CD1-CH2 4.12Å; Y130-W144 AromaticContact CE1-CH2 3.38Å; Y130-W144 HydrophobicContact CE1-CH2 3.38Å; Y130-W144 HydrophobicContact CE1-CZ2 4.06Å; Y130-W144 HydrophobicContact CE1-CZ3 4.23Å; W136-W144 HydrophobicContact CE3-CE3 4.2Å; W136-W144 HydrophobicContact CE3-CZ3 4.39Å; W136-W144 AromaticContact CH2-CD2 3.81Å; W136-W144 HydrophobicContact CH2-CD2 3.81Å; W136-W144 AromaticContact CH2-CE3 3.29Å; W136-W144 HydrophobicContact CH2-CE3 3.29Å; W136-W144 AromaticContact CH2-CH2 3.83Å; W136-W144 HydrophobicContact CH2-CH2 3.83Å; W136-W144 HydrophobicContact CH2-CZ2 4.29Å; W136-W144 AromaticContact CH2-CZ3 3.27Å; W136-W144 HydrophobicContact CH2-CZ3 3.27Å; W136-W144 HydrophobicContact CZ2-CE3 4.41Å; W136-W144 HydrophobicContact CZ2-CH2 4.39Å; W136-W144 HydrophobicContact CZ2-CZ3 4.02Å; W136-W144 AromaticContact CZ3-CD2 3.86Å; W136-W144 HydrophobicContact CZ3-CD2 3.86Å; W136-W144 AromaticContact CZ3-CE3 3.15Å; W136-W144 HydrophobicContact CZ3-CE3 3.15Å; W136-W144 HydrophobicContact CZ3-CH2 4.47Å; W136-W144 AromaticContact CZ3-CZ3 3.51Å; W136-W144 HydrophobicContact CZ3-CZ3 3.51Å; V140-W144 VanDerWaalsContact O-CB 3.23Å; V140-W144 WeakPolarHBondContact O-CB 3.47Å; V140-W144 PolarHBondContact O-N 2.97Å; L141-W144 HydrophobicContact CD1-CE3 4.01Å; L141-W144 HydrophobicContact CD1-CZ3 4.48Å; L141-W144 PolarHBondContact O-N 2.9Å; W144-F146 PolarHBondContact O-N 3.24Å; W144-F147 PolarHBondContact O-N 3.41Å; W144-K148 WeakPolarHBondContact O-CA 3.45Å; W144-K148 VanDerWaalsContact O-CB 3.28Å; W144-K148 WeakPolarHBondContact O-CB 3.47Å; W144-K148 PolarHBondContact O-N 2.81Å
145V95.3Very high91.5Very high1 Ų173.2 Ų73.21%0.00635%0.348CS..Hα-helixtrans-58.8-45.2175.2171.10000111.6I23 W25 I73 L141 G149I23-V145 HydrophobicContact CG2-CG2 3.78Å; W25-V145 HydrophobicContact CB-CG1 3.39Å; W25-V145 HydrophobicContact CG-CG1 3.58Å; I73-V145 HydrophobicContact CD1-CG2 4.23Å; L141-V145 HydrophobicContact CD1-CG2 4.04Å; L141-V145 HydrophobicContact CG-CG2 4.41Å; L141-V145 WeakPolarHBondContact O-CB 3.48Å; L141-V145 WeakPolarHBondContact O-CG2 3.37Å; L141-V145 PolarHBondContact O-N 3.47Å; V145-G149 WeakPolarHBondContact O-CA 3.18Å; V145-G149 PolarHBondContact O-N 3.18Å
146F93.2Very high90.6Very high50 Ų5070.3 Ų70.322%0.21932%0.323CS..Hα-helixtrans-62.9-46.9-178.3-177.3-104.2000113.1P36 F37 R71 C142 F143 W144P36-F146 HydrophobicContact CB-CE2 4.12Å; P36-F146 WeakPolarHBondContact O-CD2 3.34Å; P36-F146 WeakPolarHBondContact O-CE2 3.39Å; F37-F146 HydrophobicContact CB-CB 3.98Å; F37-F146 HydrophobicContact CB-CD1 4.3Å; F37-F146 HydrophobicContact CB-CD2 3.89Å; F37-F146 HydrophobicContact CB-CE2 4.45Å; F37-F146 HydrophobicContact CB-CG 3.79Å; R71-F146 PolarHBondContact NH1-O 3.28Å; C142-F146 WeakPolarHBondContact O-CB 3.2Å; C142-F146 PolarHBondContact O-N 3.15Å; F143-F146 PolarHBondContact O-N 3.11Å; W144-F146 PolarHBondContact O-N 3.24Å
147F94.5Very high89.3Confident147 Ų14774.9 Ų74.965%0.64534%0.341SS*.Hα-helixtrans-87.8-26.8-174.7-71.9-64.2000114.5F143 W144F143-F147 HydrophobicContact CB-CD2 4.32Å; F143-F147 HydrophobicContact CD1-CD2 4.29Å; F143-F147 AromaticContact CD1-CE2 3.71Å; F143-F147 HydrophobicContact CD1-CE2 3.71Å; F143-F147 HydrophobicContact CE1-CE2 4.47Å; F143-F147 VanDerWaalsContact O-CD2 3.28Å; F143-F147 WeakPolarHBondContact O-CD2 2.85Å; F143-F147 PolarHBondContact O-N 3.25Å; W144-F147 PolarHBondContact O-N 3.41Å
148K95.7Very high88.1Confident149 Ų14977.5 Ų77.565%0.64835%0.351SS*.Hα-helixtrans-109.1-12.2-178-59.2-62.5-173.5178.30113.7I73 W144 R150I73-K148 HydrophobicContact CD1-CB 3.91Å; I73-K148 HydrophobicContact CG1-CB 4.4Å; W144-K148 WeakPolarHBondContact O-CA 3.45Å; W144-K148 VanDerWaalsContact O-CB 3.28Å; W144-K148 WeakPolarHBondContact O-CB 3.47Å; W144-K148 PolarHBondContact O-N 2.81Å; K148-R150 PolarHBondContact O-N 2.95Å
149G94.4Very high86.9Confident9 Ų980.9 Ų80.99%0.09336%0.362CS..PPolyproline II helixtrans-67129.6178.600000112.6R71 Y72 V145R71-G149 PolarHBondContact NH1-O 3.48Å; Y72-G149 CarbonylContact O-C 3.6Å; Y72-G149 WeakPolarHBondContact O-CA 3.24Å; V145-G149 WeakPolarHBondContact O-CA 3.18Å; V145-G149 PolarHBondContact O-N 3.18Å
150R93.8Very high85.6Confident174 Ų17476.8 Ų76.866%0.65734%0.337SS*.EExtended strand (participates in β ladder)trans-83.5139.7171.9-65.2-179.1127.1178.6-0.9109.5R71 Y72 K148R71-R150 CarbonylContact C-O 3.57Å; R71-R150 WeakPolarHBondContact CA-O 3.31Å; Y72-R150 HydrophobicContact CD1-CB 4.42Å; Y72-R150 WeakPolarHBondContact CD1-O 3.49Å; Y72-R150 HydrophobicContact CE1-CB 3.94Å; Y72-R150 HydrophobicContact CE2-CB 4.19Å; Y72-R150 PolarHBondContact N-O 3.22Å; Y72-R150 PolarHBondContact O-N 3.08Å; K148-R150 PolarHBondContact O-N 2.95Å
151Y93Very high84Confident86 Ų8679.3 Ų79.334%0.33734%0.342SS..EExtended strand (participates in β ladder)trans-69.1139.8171.1-67-83.5000110.8Y70 R71 R153 F156 W157Y70-Y151 WeakPolarHBondContact O-CA 3.26Å; R71-Y151 HydrophobicContact CG-CD1 3.91Å; R71-Y151 HydrophobicContact CG-CE1 4.17Å; R71-Y151 HydrophobicContact CG-CG 4.47Å; R71-Y151 VanDerWaalsContact CZ-OH 3.32Å; R71-Y151 VanDerWaalsContact NH2-CZ 3.26Å; R71-Y151 PolarHBondContact NH2-OH 3.27Å; Y151-R153 VanDerWaalsContact C-N 3.34Å; Y151-F156 HydrophobicContact CD1-CB 4.16Å; Y151-W157 HydrophobicContact CE1-CB 3.83Å; Y151-W157 HydrophobicContact CE2-CB 4.43Å; Y151-W157 WeakPolarHBondContact OH-CB 3.38Å
152V92.5Very high82Confident24 Ų2486.5 Ų86.515%0.14539%0.385CS..SBendtrans-66.9-38175.4174.70000111.3V14 F19 P69 Y70 Y72V14-V152 HydrophobicContact CB-CG1 4.25Å; V14-V152 HydrophobicContact CG1-CG1 3.32Å; V14-V152 HydrophobicContact CG2-CG1 3.88Å; F19-V152 HydrophobicContact CE1-CG2 3.83Å; F19-V152 HydrophobicContact CZ-CG1 4.19Å; F19-V152 HydrophobicContact CZ-CG2 3.92Å; P69-V152 HydrophobicContact CB-CG2 4.1Å; P69-V152 WeakPolarHBondContact O-CG2 3.02Å; Y70-V152 PolarHBondContact O-N 3.5Å; Y72-V152 HydrophobicContact CD1-CG2 3.63Å; Y72-V152 HydrophobicContact CE1-CG2 4.12Å
153R86.1Confident81.4Confident125 Ų12590.3 Ų90.347%0.47240%0.4SS..SBendtrans-129.5147.8178.4-56.1-172-175.5-159.94.9110.9Y151 F156Y151-R153 VanDerWaalsContact C-N 3.34Å; R153-F156 HydrophobicContact CB-CD2 3.71Å; R153-F156 HydrophobicContact CB-CE2 3.98Å; R153-F156 HydrophobicContact CB-CG 4.08Å; R153-F156 HydrophobicContact CG-CD2 4.42Å; R153-F156 HydrophobicContact CG-CE2 4.24Å; R153-F156 HydrophobicContact CG-CZ 4.39Å; R153-F156 PolarHBondContact O-N 3.02Å
154Y76.5Confident80.7Confident232 Ų23290.3 Ų90.391%0.9140%0.401SS*.THydrogen-bonded Turntrans-63.1137.4171.9-153.5-92000109.6F156Y154-F156 VanDerWaalsContact C-N 3.35Å; Y154-F156 PolarHBondContact O-N 2.78Å
155G70Confident79.9Confident16 Ų1692.5 Ų92.517%0.16541%0.413CS..THydrogen-bonded Turntrans87-9-179.300000115.8W157 L158G155-W157 VanDerWaalsContact CA-CZ3 3.5Å; G155-W157 PolarHBondContact O-N 3.32Å; G155-L158 WeakPolarHBondContact O-CB 3.44Å; G155-L158 PolarHBondContact O-N 3.04Å
156F73.7Confident79Confident34 Ų3497.9 Ų97.915%0.14944%0.436CS..G310 helixtrans-63.7-16.3-174.3-104.1-140.4000115.4Y70 Y151 R153 Y154 L158 F159Y70-F156 HydrophobicContact CD1-CB 4.39Å; Y70-F156 AromaticContact CD1-CD1 3.49Å; Y70-F156 HydrophobicContact CD1-CD1 3.49Å; Y70-F156 VanDerWaalsContact CD1-CD1 3.49Å; Y70-F156 HydrophobicContact CD1-CE1 4.11Å; Y70-F156 HydrophobicContact CD1-CG 4.26Å; Y70-F156 AromaticContact CD2-CD1 3.7Å; Y70-F156 HydrophobicContact CD2-CD1 3.7Å; Y70-F156 AromaticContact CD2-CE1 3.58Å; Y70-F156 HydrophobicContact CD2-CE1 3.58Å; Y70-F156 AromaticContact CE1-CD1 3.58Å; Y70-F156 HydrophobicContact CE1-CD1 3.58Å; Y70-F156 AromaticContact CE1-CE1 3.91Å; Y70-F156 HydrophobicContact CE1-CE1 3.91Å; Y70-F156 HydrophobicContact CE1-CG 4.24Å; Y70-F156 AromaticContact CE2-CD1 3.79Å; Y70-F156 HydrophobicContact CE2-CD1 3.79Å; Y70-F156 AromaticContact CE2-CE1 3.35Å; Y70-F156 HydrophobicContact CE2-CE1 3.35Å; Y70-F156 HydrophobicContact CE2-CZ 4.28Å; Y70-F156 AromaticContact CG-CD1 3.54Å; Y70-F156 HydrophobicContact CG-CD1 3.54Å; Y70-F156 AromaticContact CG-CE1 3.95Å; Y70-F156 HydrophobicContact CG-CE1 3.95Å; Y70-F156 AromaticContact CZ-CD1 3.71Å; Y70-F156 AromaticContact CZ-CE1 3.51Å; Y151-F156 HydrophobicContact CD1-CB 4.16Å; R153-F156 HydrophobicContact CB-CD2 3.71Å; R153-F156 HydrophobicContact CB-CE2 3.98Å; R153-F156 HydrophobicContact CB-CG 4.08Å; R153-F156 HydrophobicContact CG-CD2 4.42Å; R153-F156 HydrophobicContact CG-CE2 4.24Å; R153-F156 HydrophobicContact CG-CZ 4.39Å; R153-F156 PolarHBondContact O-N 3.02Å; Y154-F156 VanDerWaalsContact C-N 3.35Å; Y154-F156 PolarHBondContact O-N 2.78Å; F156-L158 PolarHBondContact O-N 3.28Å; F156-F159 AromaticContact CD2-CD2 3.77Å; F156-F159 HydrophobicContact CD2-CD2 3.77Å; F156-F159 AromaticContact CD2-CE2 3.94Å; F156-F159 HydrophobicContact CD2-CE2 3.94Å; F156-F159 HydrophobicContact CE2-CD2 4.06Å; F156-F159 AromaticContact CE2-CE2 3.99Å; F156-F159 HydrophobicContact CE2-CE2 3.99Å; F156-F159 HydrophobicContact CG-CD2 4.32Å; F156-F159 PolarHBondContact O-N 3.04Å
157W67.5Low78.1Confident123 Ų123100.9 Ų100.947%0.46645%0.45SS..G310 helixtrans-61-24.7172.89185.5000113Y151 G155Y151-W157 HydrophobicContact CE1-CB 3.83Å; Y151-W157 HydrophobicContact CE2-CB 4.43Å; Y151-W157 WeakPolarHBondContact OH-CB 3.38Å; G155-W157 VanDerWaalsContact CA-CZ3 3.5Å; G155-W157 PolarHBondContact O-N 3.32Å
158L67.2Low77Confident99 Ų9997.8 Ų97.852%0.51844%0.437SS..G310 helixtrans-72.8-29-179.8-65.2168.7000112.4G155 F156 I160G155-L158 WeakPolarHBondContact O-CB 3.44Å; G155-L158 PolarHBondContact O-N 3.04Å; F156-L158 PolarHBondContact O-N 3.28Å; L158-I160 PolarHBondContact O-N 3.34Å
159F66.5Low75.6Confident104 Ų10494.1 Ų94.146%0.45642%0.422SS..G310 helixtrans-79.5-5.5-179.8-69.1-79.7000113.3Y70 F156 F161Y70-F159 HydrophobicContact CE1-CB 3.75Å; F156-F159 AromaticContact CD2-CD2 3.77Å; F156-F159 HydrophobicContact CD2-CD2 3.77Å; F156-F159 AromaticContact CD2-CE2 3.94Å; F156-F159 HydrophobicContact CD2-CE2 3.94Å; F156-F159 HydrophobicContact CE2-CD2 4.06Å; F156-F159 AromaticContact CE2-CE2 3.99Å; F156-F159 HydrophobicContact CE2-CE2 3.99Å; F156-F159 HydrophobicContact CG-CD2 4.32Å; F156-F159 PolarHBondContact O-N 3.04Å; F159-F161 PolarHBondContact O-N 3.12Å
160I64.4Low74.2Confident9 Ų9100.7 Ų100.75%0.04645%0.447CS..G310 helixtrans-64-18.2173-68.7175.2000111W25 T32 W33 L158W25-I160 HydrophobicContact CH2-CD1 4.43Å; T32-I160 HydrophobicContact CG2-CG2 4.1Å; W33-I160 PolarHBondContact NE1-O 2.9Å; L158-I160 PolarHBondContact O-N 3.34Å
161F60.8Low72.6Confident132 Ų13294.6 Ų94.658%0.57943%0.43SS*.G310 helixtrans-119.29.7-174.4-57.1-73.3000115.2F159F159-F161 PolarHBondContact O-N 3.12Å
162V52.6Low70.7Confident151 Ų15195.4 Ų95.492%0.91544%0.438SS*.  trans-114.50179.4-173.40000108.9

Retrieved 162 of 162 residues in 165.7 ms (Link to these results)

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