A0A077ZKS6_TRITR Loading...

Heterogeneous nuclear ribonucleoprotein A1

AlphaFold DB , UniProt , Accession A0A077ZKS6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 195 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
1M48.2Very low87.3Confident199 Ų19951.4 Ų51.498%0.9826%0.256SS*.  044.90-74.1174.9169.200112.6
2H64.7Low87.9Confident126 Ų12648.8 Ų48.858%0.58325%0.247SC*.  trans-85.8-13.3-175.6-63.7-68.2000114.2C4 K154H2-C4 PolarHBondContact O-N 3.35Å; H2-K154 WeakPolarHBondContact O-CE 3.09Å; H2-K154 PolarHBondContact O-NZ 2.81Å
3N83.7Confident88.1Confident68 Ų6851.6 Ų51.636%0.36427%0.271SS..THydrogen-bonded Turntrans-79.8-15.9-174.4-67.7-4.3000114.4A55 K154 I158N3-A55 HydrophobicContact CB-CB 4.24Å; N3-K154 WeakPolarHBondContact OD1-CE 3.33Å; N3-I158 WeakPolarHBondContact OD1-CD1 3.45Å
4C94Very high88.4Confident22 Ų2255.9 Ų55.915%0.14930%0.3CS..THydrogen-bonded Turntrans-100.86.8-175.2-43.10000113.4H2 T51 F52 V58H2-C4 PolarHBondContact O-N 3.35Å; C4-T51 CarbonylContact O-C 3.57Å; C4-T51 WeakPolarHBondContact O-CA 3.42Å; C4-F52 HydrophobicContact CB-CB 4.49Å; C4-F52 WeakPolarHBondContact CB-O 3.14Å; C4-F52 PolarHBondContact O-N 3.28Å; C4-V58 WeakPolarHBondContact O-CG2 3.25Å
5K95.5Very high88.9Confident58 Ų5852.4 Ų52.425%0.25228%0.282SS..EExtended strand (participates in β ladder)trans-108.1131.4-174.3-173.5173.8-79.2-171.10111.9E32 F49 V50 T51 A79K5-E32 IonicContact NZ-OE2 3.25Å; K5-E32 PolarHBondContact NZ-OE2 3.01Å; K5-F49 HydrophobicContact CD-CB 4.31Å; K5-F49 HydrophobicContact CD-CD1 4.06Å; K5-F49 HydrophobicContact CD-CG 4.43Å; K5-F49 HydrophobicContact CG-CB 4.35Å; K5-F49 HydrophobicContact CG-CD1 4.18Å; K5-V50 CarbonylContact C-O 3.55Å; K5-V50 WeakPolarHBondContact CA-O 3.37Å; K5-T51 WeakPolarHBondContact CE-OG1 3.11Å; K5-A79 HydrophobicContact CB-CB 3.89Å; K5-A79 HydrophobicContact CD-CB 4.1Å; K5-A79 HydrophobicContact CG-CB 3.62Å; K5-A79 VanDerWaalsContact O-CB 3.23Å; K5-A79 WeakPolarHBondContact O-CB 3.38Å; K5-A79 PolarHBondContact O-N 2.86Å
6L96.5Very high89.2Confident0 Ų052 Ų520%028%0.282CS..EExtended strand (participates in β ladder)trans-103.2141.2168.9-71.2-177.2000110.9I8 Y24 F49 V50 F52 V58 A61 M62 R77L6-I8 HydrophobicContact CB-CD1 3.68Å; L6-I8 HydrophobicContact CD1-CD1 4.23Å; L6-Y24 HydrophobicContact CD1-CD1 4.24Å; L6-Y24 HydrophobicContact CD1-CE1 3.88Å; L6-F49 WeakPolarHBondContact O-CA 3.37Å; L6-F49 WeakPolarHBondContact O-CD1 3.29Å; L6-V50 PolarHBondContact N-O 2.75Å; L6-V50 PolarHBondContact O-N 3.02Å; L6-F52 HydrophobicContact CD1-CE2 3.85Å; L6-F52 HydrophobicContact CG-CE2 4.32Å; L6-V58 HydrophobicContact CD2-CG1 3.63Å; L6-V58 HydrophobicContact CG-CG1 4.19Å; L6-V58 HydrophobicContact CG-CG2 4.4Å; L6-A61 HydrophobicContact CD1-CB 3.83Å; L6-M62 HydrophobicContact CD2-CG 3.93Å; L6-M62 HydrophobicContact CD2-SD 3.65Å; L6-R77 CarbonylContact C-O 3.55Å; L6-R77 WeakPolarHBondContact CA-O 3.49Å; L6-R77 VanDerWaalsContact CD2-O 3.29Å; L6-R77 WeakPolarHBondContact CD2-O 3.26Å
7F95.4Very high89.6Confident25 Ų2551.4 Ų51.411%0.1128%0.28CS..EExtended strand (participates in β ladder)trans-89.5130.7160167.4-88.3000108.4F47 F49 P76 R77 P91F7-F47 HydrophobicContact CD2-CD2 4.1Å; F7-F47 HydrophobicContact CE2-CB 3.77Å; F7-F47 AromaticContact CE2-CD2 3.48Å; F7-F47 HydrophobicContact CE2-CD2 3.48Å; F7-F47 VanDerWaalsContact CE2-CD2 3.48Å; F7-F47 HydrophobicContact CE2-CE2 4.21Å; F7-F47 AromaticContact CE2-CG 3.76Å; F7-F47 HydrophobicContact CE2-CG 3.76Å; F7-F47 HydrophobicContact CZ-CB 3.81Å; F7-F47 HydrophobicContact CZ-CD2 4.35Å; F7-F47 HydrophobicContact CZ-CG 4.19Å; F7-F49 HydrophobicContact CB-CD1 4.19Å; F7-F49 HydrophobicContact CB-CE1 3.92Å; F7-F49 AromaticContact CD2-CE1 3.83Å; F7-F49 HydrophobicContact CD2-CE1 3.83Å; F7-F49 AromaticContact CD2-CZ 3.9Å; F7-F49 HydrophobicContact CD2-CZ 3.9Å; F7-F49 HydrophobicContact CG-CE1 4.38Å; F7-P76 CarbonylContact O-C 3.52Å; F7-P76 WeakPolarHBondContact O-CA 3.3Å; F7-R77 HydrophobicContact CB-CB 4.5Å; F7-R77 HydrophobicContact CD1-CB 4.19Å; F7-R77 HydrophobicContact CD1-CG 4.43Å; F7-R77 PolarHBondContact N-O 2.83Å; F7-R77 PolarHBondContact O-N 2.85Å; F7-P91 HydrophobicContact CE2-CB 4.44Å; F7-P91 HydrophobicContact CZ-CB 4.27Å
8I96.8Very high90Very high0 Ų055.7 Ų55.70%030%0.298CS..EExtended strand (participates in β ladder)trans-115.3104.1178.4-45.2-50.6000108.5L6 L11 L20 Y24 F47 G48 V50 V74 P76L6-I8 HydrophobicContact CB-CD1 3.68Å; L6-I8 HydrophobicContact CD1-CD1 4.23Å; I8-L11 HydrophobicContact CB-CD2 4.48Å; I8-L11 HydrophobicContact CG2-CD2 3.67Å; I8-L11 HydrophobicContact CG2-CG 4.16Å; I8-L20 HydrophobicContact CG1-CD1 4.43Å; I8-L20 HydrophobicContact CG2-CD1 4.18Å; I8-Y24 HydrophobicContact CD1-CE1 3.87Å; I8-Y24 HydrophobicContact CD1-CE2 3.79Å; I8-Y24 VanDerWaalsContact CD1-OH 3.23Å; I8-Y24 WeakPolarHBondContact CD1-OH 3.41Å; I8-Y24 HydrophobicContact CG1-CE2 3.83Å; I8-Y24 HydrophobicContact CG2-CE2 4.18Å; I8-F47 CarbonylContact O-C 3.58Å; I8-F47 WeakPolarHBondContact O-CA 3.44Å; I8-F47 VanDerWaalsContact O-CB 3.3Å; I8-F47 WeakPolarHBondContact O-CB 3.42Å; I8-G48 PolarHBondContact N-O 3.41Å; I8-G48 PolarHBondContact O-N 3.25Å; I8-V50 HydrophobicContact CG1-CG2 4.02Å; I8-V74 HydrophobicContact CG2-CB 4.02Å; I8-V74 HydrophobicContact CG2-CG2 4.03Å; I8-P76 HydrophobicContact CD1-CB 4Å
9G94.9Very high90.3Very high5 Ų556.5 Ų56.55%0.05230%0.301CS..EExtended strand (participates in β ladder)trans-88.8170.7176.300000113.1L11 D75G9-L11 PolarHBondContact O-N 2.87Å; G9-D75 PolarHBondContact N-O 2.7Å; G9-D75 PolarHBondContact O-N 3.41Å
10N95.3Very high90.7Very high59 Ų5953.7 Ų53.732%0.31629%0.286SS..SBendtrans57.133.1175.5-164.426.9000113.9G46 R72 M73 D75N10-G46 PolarHBondContact N-O 2.88Å; N10-G46 VanDerWaalsContact N-O 3.16Å; N10-R72 WeakPolarHBondContact O-CD 3.46Å; N10-R72 PolarHBondContact O-NE 3.2Å; N10-R72 VanDerWaalsContact O-NE 3.14Å; N10-R72 PolarHBondContact OD1-NE 2.97Å; N10-R72 PolarHBondContact OD1-NH2 2.84Å; N10-M73 PolarHBondContact ND2-O 3.09Å; N10-D75 HydrophobicContact CB-CB 4.4Å
11L95.5Very high91Very high3 Ų354.4 Ų54.42%0.01629%0.29CS..  trans-67144.2173.5-68.3178.5000110.5I8 G9 T15 L20 I35 G46 F47 V74I8-L11 HydrophobicContact CB-CD2 4.48Å; I8-L11 HydrophobicContact CG2-CD2 3.67Å; I8-L11 HydrophobicContact CG2-CG 4.16Å; G9-L11 PolarHBondContact O-N 2.87Å; L11-T15 HydrophobicContact CD2-CG2 4.17Å; L11-L20 HydrophobicContact CD1-CD2 4.21Å; L11-L20 HydrophobicContact CD2-CD1 3.87Å; L11-I35 HydrophobicContact CD1-CD1 4.21Å; L11-I35 HydrophobicContact CD1-CG1 4.03Å; L11-I35 HydrophobicContact CD1-CG2 4.45Å; L11-G46 PolarHBondContact N-O 3.27Å; L11-F47 VanDerWaalsContact CD1-C 3.48Å; L11-V74 HydrophobicContact CD2-CG1 3.85Å
12S94.2Very high93.4Very high21 Ų2152.3 Ų52.315%0.14728%0.275CS..  trans-64.3144.3169.6-176.70000109.5T14 T15S12-T14 PolarHBondContact O-N 3.47Å; S12-T14 VanDerWaalsContact O-N 3.1Å; S12-T14 PolarHBondContact OG-N 3.14Å; S12-T14 PolarHBondContact OG-OG1 3.04Å; S12-T15 VanDerWaalsContact CB-OG1 3.31Å; S12-T15 WeakPolarHBondContact CB-OG1 3.32Å; S12-T15 PolarHBondContact N-OG1 3.3Å; S12-T15 WeakPolarHBondContact O-CB 3.45Å; S12-T15 PolarHBondContact O-N 2.81Å; S12-T15 PolarHBondContact O-OG1 2.79Å
13P91.4Very high94.9Very high85 Ų8548.3 Ų48.355%0.55226%0.256SS*.THydrogen-bonded Turntrans-54.3-28.5170.8-26.535.3000113.4
14T92.1Very high95.6Very high112 Ų11245 Ų4569%0.68724%0.239SC*.THydrogen-bonded Turntrans-86.1-9178.158.60000114.2S12 T16S12-T14 PolarHBondContact O-N 3.47Å; S12-T14 VanDerWaalsContact O-N 3.1Å; S12-T14 PolarHBondContact OG-N 3.14Å; S12-T14 PolarHBondContact OG-OG1 3.04Å; T14-T16 PolarHBondContact O-N 2.93Å
15T94.9Very high95.8Very high3 Ų346.7 Ų46.72%0.01825%0.251CS..  trans-65.2127.3177.2-56.50000109.5L11 S12 I19 L20 I35 V69L11-T15 HydrophobicContact CD2-CG2 4.17Å; S12-T15 VanDerWaalsContact CB-OG1 3.31Å; S12-T15 WeakPolarHBondContact CB-OG1 3.32Å; S12-T15 PolarHBondContact N-OG1 3.3Å; S12-T15 WeakPolarHBondContact O-CB 3.45Å; S12-T15 PolarHBondContact O-N 2.81Å; S12-T15 PolarHBondContact O-OG1 2.79Å; T15-I19 HydrophobicContact CG2-CB 4.38Å; T15-I19 HydrophobicContact CG2-CG2 4.28Å; T15-L20 HydrophobicContact CG2-CB 4.5Å; T15-I35 HydrophobicContact CG2-CD1 4.07Å; T15-I35 WeakPolarHBondContact O-CD1 3.33Å; T15-V69 HydrophobicContact CG2-CG1 3.89Å
16T94.6Very high95.9Very high46 Ų4650.9 Ų50.928%0.28227%0.271SS..  trans-98.7162.8176.4800000111.4T14 E18 I19 L20 I35T14-T16 PolarHBondContact O-N 2.93Å; T16-E18 WeakPolarHBondContact CB-OE2 3.06Å; T16-E18 PolarHBondContact O-N 3.05Å; T16-E18 PolarHBondContact OG1-N 3.3Å; T16-E18 PolarHBondContact OG1-OE2 3.32Å; T16-I19 HydrophobicContact CG2-CD1 4.35Å; T16-I19 PolarHBondContact O-N 3.32Å; T16-I19 PolarHBondContact OG1-N 3.25Å; T16-L20 PolarHBondContact O-N 3.44Å; T16-I35 WeakPolarHBondContact O-CD1 3.23Å
17T95.6Very high95.9Very high41 Ų4153.3 Ų53.325%0.25228%0.28SS..Hα-helixtrans-60.7-33.4177.4-56.60000110.9L20 L21 C33T17-L20 PolarHBondContact O-N 3.41Å; T17-L21 WeakPolarHBondContact O-CB 3.46Å; T17-L21 PolarHBondContact O-N 2.79Å; T17-C33 HydrophobicContact CG2-CB 3.99Å; T17-C33 VanDerWaalsContact CG2-O 3.31Å; T17-C33 WeakPolarHBondContact CG2-O 3.3Å
18E96.5Very high96Very high130 Ų13053.2 Ų53.261%0.60729%0.286SS*.Hα-helixtrans-68.7-43.7179.2-57.369.1-144.700111.3T16 L20 L21 K22T16-E18 WeakPolarHBondContact CB-OE2 3.06Å; T16-E18 PolarHBondContact O-N 3.05Å; T16-E18 PolarHBondContact OG1-N 3.3Å; T16-E18 PolarHBondContact OG1-OE2 3.32Å; E18-L20 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 3.17Å; E18-L21 PolarHBondContact O-N 3.48Å; E18-K22 VanDerWaalsContact O-CB 3.23Å; E18-K22 WeakPolarHBondContact O-CB 3.49Å; E18-K22 PolarHBondContact O-N 3.25Å
19I96.7Very high96.1Very high70 Ų7060.2 Ų60.236%0.35932%0.317SS..Hα-helixtrans-61.6-44.7174.7-65.3171.8000109.8T15 T16 F23 V69T15-I19 HydrophobicContact CG2-CB 4.38Å; T15-I19 HydrophobicContact CG2-CG2 4.28Å; T16-I19 HydrophobicContact CG2-CD1 4.35Å; T16-I19 PolarHBondContact O-N 3.32Å; T16-I19 PolarHBondContact OG1-N 3.25Å; I19-F23 WeakPolarHBondContact O-CB 3.06Å; I19-F23 PolarHBondContact O-N 3.12Å; I19-V69 HydrophobicContact CG2-CG1 3.77Å
20L97.1Very high96.2Very high0 Ų061.1 Ų61.10%032%0.321CS..Hα-helixtrans-65.4-46.6-179.7-168.865000111.6I8 L11 T15 T16 T17 E18 F23 Y24 I35 V50 V69I8-L20 HydrophobicContact CG1-CD1 4.43Å; I8-L20 HydrophobicContact CG2-CD1 4.18Å; L11-L20 HydrophobicContact CD1-CD2 4.21Å; L11-L20 HydrophobicContact CD2-CD1 3.87Å; T15-L20 HydrophobicContact CG2-CB 4.5Å; T16-L20 PolarHBondContact O-N 3.44Å; T17-L20 PolarHBondContact O-N 3.41Å; E18-L20 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 3.17Å; L20-F23 PolarHBondContact O-N 2.79Å; L20-Y24 HydrophobicContact CD1-CD2 3.69Å; L20-Y24 HydrophobicContact CD1-CE2 3.46Å; L20-Y24 VanDerWaalsContact CD1-CE2 3.46Å; L20-Y24 HydrophobicContact CG-CD2 4.06Å; L20-Y24 HydrophobicContact CG-CE2 4.28Å; L20-Y24 WeakPolarHBondContact O-CD2 3.04Å; L20-Y24 PolarHBondContact O-N 3.26Å; L20-I35 HydrophobicContact CD2-CD1 4.35Å; L20-I35 HydrophobicContact CD2-CG1 3.89Å; L20-V50 HydrophobicContact CD2-CG2 4.1Å; L20-V50 HydrophobicContact CG-CG2 4.07Å; L20-V69 HydrophobicContact CD1-CG1 4.19Å
21L97.8Very high96.3Very high69 Ų6963.5 Ų63.536%0.36133%0.333SS..Hα-helixtrans-58.7-53176.2176.262.8000110.4T17 E18 F23 Y24 S25 V30 C33T17-L21 WeakPolarHBondContact O-CB 3.46Å; T17-L21 PolarHBondContact O-N 2.79Å; E18-L21 PolarHBondContact O-N 3.48Å; L21-F23 VanDerWaalsContact C-N 3.27Å; L21-F23 PolarHBondContact O-N 2.87Å; L21-Y24 PolarHBondContact O-N 3.39Å; L21-S25 WeakPolarHBondContact O-CB 3.11Å; L21-S25 PolarHBondContact O-N 3.24Å; L21-S25 PolarHBondContact O-OG 2.73Å; L21-V30 HydrophobicContact CD1-CB 3.53Å; L21-V30 HydrophobicContact CD1-CG1 3.49Å; L21-V30 VanDerWaalsContact CD1-CG1 3.49Å; L21-V30 HydrophobicContact CD1-CG2 4.06Å; L21-C33 HydrophobicContact CB-CB 4.22Å; L21-C33 HydrophobicContact CD1-CB 4.19Å
22K97.5Very high96.4Very high156 Ų15667.5 Ų67.568%0.67835%0.351SS*.Hα-helixtrans-54.9-44.2178.9-178.3177.6179.1179.10111.6E18 H26E18-K22 VanDerWaalsContact O-CB 3.23Å; E18-K22 WeakPolarHBondContact O-CB 3.49Å; E18-K22 PolarHBondContact O-N 3.25Å; K22-H26 PolarHBondContact O-CE1 2.82Å; K22-H26 PolarHBondContact O-ND1 3.27Å
23F98.1Very high96.6Very high41 Ų4167.6 Ų67.618%0.1835%0.352CS..Hα-helixtrans-63.1-54.2177.9-178.1-90.2000111.6I19 L20 L21 S25 H26 Y27 H67 F68 V69I19-F23 WeakPolarHBondContact O-CB 3.06Å; I19-F23 PolarHBondContact O-N 3.12Å; L20-F23 PolarHBondContact O-N 2.79Å; L21-F23 VanDerWaalsContact C-N 3.27Å; L21-F23 PolarHBondContact O-N 2.87Å; F23-S25 VanDerWaalsContact C-N 3.28Å; F23-S25 PolarHBondContact O-N 3.1Å; F23-H26 PolarHBondContact O-N 3.37Å; F23-H26 PolarHBondContact O-ND1 2.94Å; F23-Y27 HydrophobicContact CD1-CE2 4.27Å; F23-Y27 AromaticContact CE1-CE2 3.75Å; F23-Y27 HydrophobicContact CE1-CE2 3.75Å; F23-Y27 HydrophobicContact CZ-CE2 4.31Å; F23-H67 HydrophobicContact CE1-CB 3.69Å; F23-H67 AromaticContact CE1-CG 3.57Å; F23-H67 AromaticContact CE1-ND1 3.69Å; F23-H67 HydrophobicContact CZ-CB 3.58Å; F23-H67 AromaticContact CZ-CG 3.7Å; F23-F68 VanDerWaalsContact CE2-O 3.22Å; F23-F68 WeakPolarHBondContact CE2-O 3.23Å; F23-V69 HydrophobicContact CB-CG1 4.46Å; F23-V69 HydrophobicContact CB-CG2 4.26Å; F23-V69 HydrophobicContact CD1-CG2 3.64Å; F23-V69 HydrophobicContact CD2-CG2 4.03Å; F23-V69 HydrophobicContact CE1-CG2 3.95Å; F23-V69 HydrophobicContact CE2-CG2 4.31Å; F23-V69 HydrophobicContact CG-CG2 3.69Å; F23-V69 HydrophobicContact CZ-CG2 4.28Å
24Y98.1Very high96.8Very high0 Ų069.1 Ų69.10%035%0.35CS..Hα-helixtrans-72.9-19.5-175.2-79.2-79000113.9L6 I8 L20 L21 H26 Y27 V50 F52 A61 H67 V69L6-Y24 HydrophobicContact CD1-CD1 4.24Å; L6-Y24 HydrophobicContact CD1-CE1 3.88Å; I8-Y24 HydrophobicContact CD1-CE1 3.87Å; I8-Y24 HydrophobicContact CD1-CE2 3.79Å; I8-Y24 VanDerWaalsContact CD1-OH 3.23Å; I8-Y24 WeakPolarHBondContact CD1-OH 3.41Å; I8-Y24 HydrophobicContact CG1-CE2 3.83Å; I8-Y24 HydrophobicContact CG2-CE2 4.18Å; L20-Y24 HydrophobicContact CD1-CD2 3.69Å; L20-Y24 HydrophobicContact CD1-CE2 3.46Å; L20-Y24 VanDerWaalsContact CD1-CE2 3.46Å; L20-Y24 HydrophobicContact CG-CD2 4.06Å; L20-Y24 HydrophobicContact CG-CE2 4.28Å; L20-Y24 WeakPolarHBondContact O-CD2 3.04Å; L20-Y24 PolarHBondContact O-N 3.26Å; L21-Y24 PolarHBondContact O-N 3.39Å; Y24-H26 PolarHBondContact O-N 2.85Å; Y24-H26 VanDerWaalsContact O-N 3.16Å; Y24-Y27 HydrophobicContact CD1-CD2 4.01Å; Y24-Y27 HydrophobicContact CD1-CE2 4.25Å; Y24-Y27 PolarHBondContact O-N 2.83Å; Y24-Y27 VanDerWaalsContact O-N 3.1Å; Y24-V50 HydrophobicContact CD2-CG2 3.72Å; Y24-V50 HydrophobicContact CE2-CG2 4.3Å; Y24-V50 HydrophobicContact CG-CB 4.42Å; Y24-V50 HydrophobicContact CG-CG1 4.13Å; Y24-V50 HydrophobicContact CG-CG2 3.99Å; Y24-F52 HydrophobicContact CD1-CE2 4.31Å; Y24-F52 AromaticContact CD1-CZ 3.94Å; Y24-F52 HydrophobicContact CD1-CZ 3.94Å; Y24-F52 HydrophobicContact CG-CZ 4.38Å; Y24-F52 VanDerWaalsContact O-CE1 3.29Å; Y24-F52 WeakPolarHBondContact O-CE1 3.43Å; Y24-A61 HydrophobicContact CD1-CB 4.43Å; Y24-A61 HydrophobicContact CE1-CB 4.5Å; Y24-H67 AromaticContact CE1-CE1 3.77Å; Y24-H67 AromaticContact CE1-ND1 3.57Å; Y24-H67 AromaticContact CZ-ND1 3.64Å; Y24-H67 PolarHBondContact OH-ND1 3.39Å; Y24-H67 VanDerWaalsContact OH-ND1 3.09Å; Y24-V69 HydrophobicContact CE2-CG2 4.46Å
25S97.7Very high96.9Very high57 Ų5764.2 Ų64.240%0.39932%0.319SS..G310 helixtrans-60.5-19.8172.8-69.50000114.1L21 F23 Y27 G28L21-S25 WeakPolarHBondContact O-CB 3.11Å; L21-S25 PolarHBondContact O-N 3.24Å; L21-S25 PolarHBondContact O-OG 2.73Å; F23-S25 VanDerWaalsContact C-N 3.28Å; F23-S25 PolarHBondContact O-N 3.1Å; S25-Y27 PolarHBondContact O-N 2.94Å; S25-G28 WeakPolarHBondContact CA-O 3.31Å; S25-G28 PolarHBondContact O-N 3.49Å
26H97.4Very high96.9Very high145 Ų14565.9 Ų65.967%0.67133%0.328SS*.G310 helixtrans-65.2-24.4174.7-63.284.1000112.9K22 F23 Y24K22-H26 PolarHBondContact O-CE1 2.82Å; K22-H26 PolarHBondContact O-ND1 3.27Å; F23-H26 PolarHBondContact O-N 3.37Å; F23-H26 PolarHBondContact O-ND1 2.94Å; Y24-H26 PolarHBondContact O-N 2.85Å; Y24-H26 VanDerWaalsContact O-N 3.16Å
27Y97.5Very high96.8Very high52 Ų5268.6 Ų68.620%0.20433%0.333CS..G310 helixtrans-95.1-5.9179.9-50.4-67000112.9F23 Y24 S25 M57 A61 A64 H67F23-Y27 HydrophobicContact CD1-CE2 4.27Å; F23-Y27 AromaticContact CE1-CE2 3.75Å; F23-Y27 HydrophobicContact CE1-CE2 3.75Å; F23-Y27 HydrophobicContact CZ-CE2 4.31Å; Y24-Y27 HydrophobicContact CD1-CD2 4.01Å; Y24-Y27 HydrophobicContact CD1-CE2 4.25Å; Y24-Y27 PolarHBondContact O-N 2.83Å; Y24-Y27 VanDerWaalsContact O-N 3.1Å; S25-Y27 PolarHBondContact O-N 2.94Å; Y27-M57 WeakPolarHBondContact O-CG 3.29Å; Y27-A61 HydrophobicContact CD1-CB 4.41Å; Y27-A61 HydrophobicContact CD2-CB 3.73Å; Y27-A61 HydrophobicContact CE2-CB 4.37Å; Y27-A61 HydrophobicContact CG-CB 3.74Å; Y27-A64 HydrophobicContact CD1-CB 4.12Å; Y27-A64 HydrophobicContact CE1-CB 3.28Å; Y27-H67 AromaticContact CE2-CE1 3.95Å; Y27-H67 AromaticContact CE2-NE2 3.94Å; Y27-H67 AromaticContact CZ-NE2 3.65Å; Y27-H67 PolarHBondContact OH-CD2 2.71Å; Y27-H67 PolarHBondContact OH-NE2 3.28Å
28G97Very high96.5Very high22 Ų2271 Ų7123%0.22734%0.341CS..SBendtrans145.2-170.6175.500000114.8S25 V30S25-G28 WeakPolarHBondContact CA-O 3.31Å; S25-G28 PolarHBondContact O-N 3.49Å; G28-V30 PolarHBondContact O-N 2.78Å
29K97.8Very high96.1Very high148 Ų14868.7 Ų68.764%0.64334%0.344SS*.  trans-72.6114-176.9-178179.7-178.3178.40111F52 S53 M57K29-F52 CarbonylContact O-C 3.49Å; K29-F52 WeakPolarHBondContact O-CA 3.35Å; K29-S53 PolarHBondContact O-N 3.41Å; K29-M57 HydrophobicContact CB-CE 4.15Å; K29-M57 HydrophobicContact CB-SD 4.36Å; K29-M57 PolarHBondContact N-SD 3.3Å
30V98Very high95.8Very high23 Ų2371.9 Ų71.914%0.13937%0.367CS..EExtended strand (participates in β ladder)trans-85.2124.6172.5178.80000109.4L21 G28 E32 C33 V50 T51 F52L21-V30 HydrophobicContact CD1-CB 3.53Å; L21-V30 HydrophobicContact CD1-CG1 3.49Å; L21-V30 VanDerWaalsContact CD1-CG1 3.49Å; L21-V30 HydrophobicContact CD1-CG2 4.06Å; G28-V30 PolarHBondContact O-N 2.78Å; V30-E32 WeakPolarHBondContact CG1-O 3.18Å; V30-C33 HydrophobicContact CG1-CB 4.13Å; V30-V50 HydrophobicContact CB-CG1 4.49Å; V30-V50 HydrophobicContact CG1-CG1 3.83Å; V30-V50 HydrophobicContact CG2-CG1 3.85Å; V30-T51 CarbonylContact C-O 3.59Å; V30-F52 HydrophobicContact CG2-CD1 4.01Å; V30-F52 HydrophobicContact CG2-CE1 3.75Å; V30-F52 HydrophobicContact CG2-CZ 4.41Å
31I97.5Very high95.5Very high110 Ų11075.6 Ų75.656%0.56439%0.39SS*.EExtended strand (participates in β ladder)trans-86.4-40.3174.3-64.9-174.6000111T51 S53I31-T51 PolarHBondContact N-O 3.22Å; I31-S53 VanDerWaalsContact CD1-CA 3.48Å
32E97.2Very high95Very high86 Ų8679 Ų7940%0.40240%0.401SS..EExtended strand (participates in β ladder)trans-142.3136.7-175.8-172.6-168.2-168.900109.2K5 V30 V50 T51K5-E32 IonicContact NZ-OE2 3.25Å; K5-E32 PolarHBondContact NZ-OE2 3.01Å; V30-E32 WeakPolarHBondContact CG1-O 3.18Å; E32-V50 CarbonylContact O-C 3.4Å; E32-V50 WeakPolarHBondContact O-CA 2.85Å; E32-T51 PolarHBondContact N-O 3.14Å; E32-T51 PolarHBondContact O-N 3Å; E32-T51 PolarHBondContact OE2-OG1 2.83Å
33C97.4Very high94.5Very high24 Ų2477.3 Ų77.316%0.16240%0.396CS..EExtended strand (participates in β ladder)trans-137.2128173.8-173.50000108.6T17 L21 V30 F49T17-C33 HydrophobicContact CG2-CB 3.99Å; T17-C33 VanDerWaalsContact CG2-O 3.31Å; T17-C33 WeakPolarHBondContact CG2-O 3.3Å; L21-C33 HydrophobicContact CB-CB 4.22Å; L21-C33 HydrophobicContact CD1-CB 4.19Å; V30-C33 HydrophobicContact CG1-CB 4.13Å; C33-F49 WeakPolarHBondContact CA-O 3.48Å
34K95.5Very high94Very high116 Ų11676 Ų7650%0.50439%0.392SS..EExtended strand (participates in β ladder)trans-147.3129.4-177-174174.8-178.1174.40111.8G48 F49K34-G48 CarbonylContact O-C 3.4Å; K34-G48 WeakPolarHBondContact O-CA 3.48Å; K34-F49 PolarHBondContact N-O 3.23Å; K34-F49 PolarHBondContact O-N 3Å
35I96.1Very high93.7Very high10 Ų1082 Ų825%0.05142%0.415CS..EExtended strand (participates in β ladder)trans-96.5128.8166.5-62.7-178.8000108.4L11 T15 T16 L20L11-I35 HydrophobicContact CD1-CD1 4.21Å; L11-I35 HydrophobicContact CD1-CG1 4.03Å; L11-I35 HydrophobicContact CD1-CG2 4.45Å; T15-I35 HydrophobicContact CG2-CD1 4.07Å; T15-I35 WeakPolarHBondContact O-CD1 3.33Å; T16-I35 WeakPolarHBondContact O-CD1 3.23Å; L20-I35 HydrophobicContact CD2-CD1 4.35Å; L20-I35 HydrophobicContact CD2-CG1 3.89Å
36L93.6Very high93.5Very high38 Ų3880.3 Ų80.320%0.19941%0.406CS..EExtended strand (participates in β ladder)trans-82.4133.4177.8-81.479.8000109.4R45 F47 F49L36-R45 WeakPolarHBondContact O-CB 3.36Å; L36-R45 PolarHBondContact O-N 2.97Å; L36-F47 HydrophobicContact CB-CD2 4.47Å; L36-F47 HydrophobicContact CB-CE1 4.47Å; L36-F47 HydrophobicContact CB-CE2 3.95Å; L36-F47 HydrophobicContact CB-CZ 3.94Å; L36-F47 HydrophobicContact CD1-CD2 4.32Å; L36-F47 HydrophobicContact CD1-CE2 3.91Å; L36-F47 HydrophobicContact CD2-CE2 3.66Å; L36-F47 HydrophobicContact CD2-CZ 3.74Å; L36-F47 HydrophobicContact CG-CE2 4.02Å; L36-F47 HydrophobicContact CG-CZ 4.3Å; L36-F47 PolarHBondContact N-O 2.86Å; L36-F49 HydrophobicContact CD1-CD2 3.47Å; L36-F49 VanDerWaalsContact CD1-CD2 3.47Å; L36-F49 HydrophobicContact CD1-CE2 3.59Å; L36-F49 HydrophobicContact CD2-CE2 4.43Å
37R93Very high93.4Very high102 Ų10275.1 Ų75.139%0.38538%0.382SS..EExtended strand (participates in β ladder)trans-125.1151.8-177-68.1172.3179.2-76-5.4109.9K42 E43R37-K42 VanDerWaalsContact CD-O 3.3Å; R37-K42 WeakPolarHBondContact CD-O 3.31Å; R37-K42 WeakPolarHBondContact CG-O 3.13Å; R37-K42 PolarHBondContact NH1-O 3.1Å; R37-K42 VanDerWaalsContact NH1-O 3.14Å; R37-E43 CarbonylContact C-O 3.58Å; R37-E43 WeakPolarHBondContact CA-O 3.33Å; R37-E43 WeakPolarHBondContact CB-O 3.47Å
38H88.3Confident93.3Very high92 Ų9272.6 Ų72.643%0.42637%0.372SS..  trans-59.7134.9170.2-71.1-83.9000109.4V40 T41 K42 E43H38-V40 VanDerWaalsContact C-N 3.3Å; H38-V40 PolarHBondContact O-N 3.28Å; H38-T41 VanDerWaalsContact CB-OG1 3.3Å; H38-T41 WeakPolarHBondContact CB-OG1 3.42Å; H38-K42 VanDerWaalsContact O-CA 3.25Å; H38-K42 WeakPolarHBondContact O-CA 3.38Å; H38-K42 PolarHBondContact O-N 2.77Å; H38-E43 PolarHBondContact N-O 2.92Å
39A88.1Confident93.3Very high82 Ų8274.1 Ų74.168%0.67837%0.372SS*.THydrogen-bonded Turntrans-62.8-38.8-171.800000112.5K42A39-K42 WeakPolarHBondContact O-CE 3.5Å; A39-K42 PolarHBondContact O-NZ 3.16Å
40V90.2Very high93.3Very high137 Ų13767 Ų6783%0.8334%0.342SS*.THydrogen-bonded Turntrans-85.3-62.3-178.2-175.40000110.9H38 K42H38-V40 VanDerWaalsContact C-N 3.3Å; H38-V40 PolarHBondContact O-N 3.28Å; V40-K42 VanDerWaalsContact C-N 3.27Å; V40-K42 PolarHBondContact O-N 3.32Å
41T91.1Very high93.3Very high78 Ų7866.6 Ų66.648%0.47934%0.339SS..THydrogen-bonded Turntrans-74-14.3-173.569.20000114.1H38 E43H38-T41 VanDerWaalsContact CB-OG1 3.3Å; H38-T41 WeakPolarHBondContact CB-OG1 3.42Å; T41-E43 WeakPolarHBondContact CB-OE2 3.35Å; T41-E43 PolarHBondContact O-N 3.36Å; T41-E43 WeakPolarHBondContact OG1-CB 3.4Å; T41-E43 WeakPolarHBondContact OG1-CG 3.21Å; T41-E43 PolarHBondContact OG1-N 3.01Å; T41-E43 PolarHBondContact OG1-OE2 2.79Å
42K88.3Confident93.3Very high139 Ų13961.4 Ų61.460%0.60431%0.312SS*.  trans596.7-172.6-53.6-55.7-173.2-163.90114.9R37 H38 A39 V40R37-K42 VanDerWaalsContact CD-O 3.3Å; R37-K42 WeakPolarHBondContact CD-O 3.31Å; R37-K42 WeakPolarHBondContact CG-O 3.13Å; R37-K42 PolarHBondContact NH1-O 3.1Å; R37-K42 VanDerWaalsContact NH1-O 3.14Å; H38-K42 VanDerWaalsContact O-CA 3.25Å; H38-K42 WeakPolarHBondContact O-CA 3.38Å; H38-K42 PolarHBondContact O-N 2.77Å; A39-K42 WeakPolarHBondContact O-CE 3.5Å; A39-K42 PolarHBondContact O-NZ 3.16Å; V40-K42 VanDerWaalsContact C-N 3.27Å; V40-K42 PolarHBondContact O-N 3.32Å
43E87.1Confident93.3Very high121 Ų12159.6 Ų59.657%0.56531%0.309SS*.  trans-67.5145.7176.3-67.4170.1141.600110.7R37 H38 T41 R45R37-E43 CarbonylContact C-O 3.58Å; R37-E43 WeakPolarHBondContact CA-O 3.33Å; R37-E43 WeakPolarHBondContact CB-O 3.47Å; H38-E43 PolarHBondContact N-O 2.92Å; T41-E43 WeakPolarHBondContact CB-OE2 3.35Å; T41-E43 PolarHBondContact O-N 3.36Å; T41-E43 WeakPolarHBondContact OG1-CB 3.4Å; T41-E43 WeakPolarHBondContact OG1-CG 3.21Å; T41-E43 PolarHBondContact OG1-N 3.01Å; T41-E43 PolarHBondContact OG1-OE2 2.79Å; E43-R45 PolarHBondContact O-N 3.11Å
44S87.9Confident93.2Very high15 Ų1560.8 Ų60.811%0.10531%0.314CS..EExtended strand (participates in β ladder)trans-61.7134.5174.7179.80000110.4G46S44-G46 PolarHBondContact O-N 3.27Å; S44-G46 PolarHBondContact OG-N 3.26Å; S44-G46 VanDerWaalsContact OG-N 3.12Å
45R91.4Very high93.1Very high125 Ų12557 Ų5747%0.47230%0.304SS..EExtended strand (participates in β ladder)trans-77.76.6170.7-67.2175.460.3-169.4-1.4112.4L36 E43 F47L36-R45 WeakPolarHBondContact O-CB 3.36Å; L36-R45 PolarHBondContact O-N 2.97Å; E43-R45 PolarHBondContact O-N 3.11Å; R45-F47 VanDerWaalsContact C-N 3.28Å; R45-F47 HydrophobicContact CB-CD1 3.85Å; R45-F47 HydrophobicContact CB-CE1 3.6Å; R45-F47 WeakPolarHBondContact O-CD1 3.38Å; R45-F47 PolarHBondContact O-N 3.29Å
46G93.3Very high93.1Very high21 Ų2163.3 Ų63.322%0.21633%0.334CS..EExtended strand (participates in β ladder)trans75.113.3-179.500000114.4N10 L11 S44N10-G46 PolarHBondContact N-O 2.88Å; N10-G46 VanDerWaalsContact N-O 3.16Å; L11-G46 PolarHBondContact N-O 3.27Å; S44-G46 PolarHBondContact O-N 3.27Å; S44-G46 PolarHBondContact OG-N 3.26Å; S44-G46 VanDerWaalsContact OG-N 3.12Å
47F95.2Very high93.3Very high36 Ų3663.1 Ų63.116%0.15833%0.332CS..EExtended strand (participates in β ladder)trans-149.5161.3174.873.8-87.9000113.3F7 I8 L11 L36 R45 F49F7-F47 HydrophobicContact CD2-CD2 4.1Å; F7-F47 HydrophobicContact CE2-CB 3.77Å; F7-F47 AromaticContact CE2-CD2 3.48Å; F7-F47 HydrophobicContact CE2-CD2 3.48Å; F7-F47 VanDerWaalsContact CE2-CD2 3.48Å; F7-F47 HydrophobicContact CE2-CE2 4.21Å; F7-F47 AromaticContact CE2-CG 3.76Å; F7-F47 HydrophobicContact CE2-CG 3.76Å; F7-F47 HydrophobicContact CZ-CB 3.81Å; F7-F47 HydrophobicContact CZ-CD2 4.35Å; F7-F47 HydrophobicContact CZ-CG 4.19Å; I8-F47 CarbonylContact O-C 3.58Å; I8-F47 WeakPolarHBondContact O-CA 3.44Å; I8-F47 VanDerWaalsContact O-CB 3.3Å; I8-F47 WeakPolarHBondContact O-CB 3.42Å; L11-F47 VanDerWaalsContact CD1-C 3.48Å; L36-F47 HydrophobicContact CB-CD2 4.47Å; L36-F47 HydrophobicContact CB-CE1 4.47Å; L36-F47 HydrophobicContact CB-CE2 3.95Å; L36-F47 HydrophobicContact CB-CZ 3.94Å; L36-F47 HydrophobicContact CD1-CD2 4.32Å; L36-F47 HydrophobicContact CD1-CE2 3.91Å; L36-F47 HydrophobicContact CD2-CE2 3.66Å; L36-F47 HydrophobicContact CD2-CZ 3.74Å; L36-F47 HydrophobicContact CG-CE2 4.02Å; L36-F47 HydrophobicContact CG-CZ 4.3Å; L36-F47 PolarHBondContact N-O 2.86Å; R45-F47 VanDerWaalsContact C-N 3.28Å; R45-F47 HydrophobicContact CB-CD1 3.85Å; R45-F47 HydrophobicContact CB-CE1 3.6Å; R45-F47 WeakPolarHBondContact O-CD1 3.38Å; R45-F47 PolarHBondContact O-N 3.29Å; F47-F49 HydrophobicContact CD2-CE2 4.13Å; F47-F49 AromaticContact CE2-CE2 3.82Å; F47-F49 HydrophobicContact CE2-CE2 3.82Å; F47-F49 HydrophobicContact CE2-CZ 4.3Å
48G95.9Very high93.5Very high0 Ų058.3 Ų58.30%031%0.314CS..EExtended strand (participates in β ladder)trans-150.4-177.8178.600000112.6I8 K34I8-G48 PolarHBondContact N-O 3.41Å; I8-G48 PolarHBondContact O-N 3.25Å; K34-G48 CarbonylContact O-C 3.4Å; K34-G48 WeakPolarHBondContact O-CA 3.48Å
49F96.9Very high93.8Very high53 Ų5356.5 Ų56.523%0.23231%0.307CS..EExtended strand (participates in β ladder)trans-131.6145.9174.9-63.8-88.4000110.9K5 L6 F7 C33 K34 L36 F47 A79K5-F49 HydrophobicContact CD-CB 4.31Å; K5-F49 HydrophobicContact CD-CD1 4.06Å; K5-F49 HydrophobicContact CD-CG 4.43Å; K5-F49 HydrophobicContact CG-CB 4.35Å; K5-F49 HydrophobicContact CG-CD1 4.18Å; L6-F49 WeakPolarHBondContact O-CA 3.37Å; L6-F49 WeakPolarHBondContact O-CD1 3.29Å; F7-F49 HydrophobicContact CB-CD1 4.19Å; F7-F49 HydrophobicContact CB-CE1 3.92Å; F7-F49 AromaticContact CD2-CE1 3.83Å; F7-F49 HydrophobicContact CD2-CE1 3.83Å; F7-F49 AromaticContact CD2-CZ 3.9Å; F7-F49 HydrophobicContact CD2-CZ 3.9Å; F7-F49 HydrophobicContact CG-CE1 4.38Å; C33-F49 WeakPolarHBondContact CA-O 3.48Å; K34-F49 PolarHBondContact N-O 3.23Å; K34-F49 PolarHBondContact O-N 3Å; L36-F49 HydrophobicContact CD1-CD2 3.47Å; L36-F49 VanDerWaalsContact CD1-CD2 3.47Å; L36-F49 HydrophobicContact CD1-CE2 3.59Å; L36-F49 HydrophobicContact CD2-CE2 4.43Å; F47-F49 HydrophobicContact CD2-CE2 4.13Å; F47-F49 AromaticContact CE2-CE2 3.82Å; F47-F49 HydrophobicContact CE2-CE2 3.82Å; F47-F49 HydrophobicContact CE2-CZ 4.3Å; F49-A79 HydrophobicContact CD1-CB 4.18Å; F49-A79 HydrophobicContact CE1-CB 4.22Å
50V97.8Very high94.3Very high0 Ų054.6 Ų54.60%029%0.292CS..EExtended strand (participates in β ladder)trans-128.2122173.8178.20000108.1K5 L6 I8 L20 Y24 V30 E32 F52K5-V50 CarbonylContact C-O 3.55Å; K5-V50 WeakPolarHBondContact CA-O 3.37Å; L6-V50 PolarHBondContact N-O 2.75Å; L6-V50 PolarHBondContact O-N 3.02Å; I8-V50 HydrophobicContact CG1-CG2 4.02Å; L20-V50 HydrophobicContact CD2-CG2 4.1Å; L20-V50 HydrophobicContact CG-CG2 4.07Å; Y24-V50 HydrophobicContact CD2-CG2 3.72Å; Y24-V50 HydrophobicContact CE2-CG2 4.3Å; Y24-V50 HydrophobicContact CG-CB 4.42Å; Y24-V50 HydrophobicContact CG-CG1 4.13Å; Y24-V50 HydrophobicContact CG-CG2 3.99Å; V30-V50 HydrophobicContact CB-CG1 4.49Å; V30-V50 HydrophobicContact CG1-CG1 3.83Å; V30-V50 HydrophobicContact CG2-CG1 3.85Å; E32-V50 CarbonylContact O-C 3.4Å; E32-V50 WeakPolarHBondContact O-CA 2.85Å; V50-F52 HydrophobicContact CG1-CD2 4.26Å; V50-F52 HydrophobicContact CG1-CE2 3.87Å; V50-F52 HydrophobicContact CG1-CZ 4.06Å
51T97.6Very high94.6Very high13 Ų1348.1 Ų48.18%0.0825%0.252CS..EExtended strand (participates in β ladder)trans-104.7116.3174.5-48.90000108.7C4 K5 V30 I31 E32C4-T51 CarbonylContact O-C 3.57Å; C4-T51 WeakPolarHBondContact O-CA 3.42Å; K5-T51 WeakPolarHBondContact CE-OG1 3.11Å; V30-T51 CarbonylContact C-O 3.59Å; I31-T51 PolarHBondContact N-O 3.22Å; E32-T51 PolarHBondContact N-O 3.14Å; E32-T51 PolarHBondContact O-N 3Å; E32-T51 PolarHBondContact OE2-OG1 2.83Å
52F98.2Very high94.9Very high2 Ų244.4 Ų44.41%0.00923%0.23CC..EExtended strand (participates in β ladder)trans-83166.8170.7-70.3-80.9000112.1C4 L6 Y24 K29 V30 V50 M57 V58 A61C4-F52 HydrophobicContact CB-CB 4.49Å; C4-F52 WeakPolarHBondContact CB-O 3.14Å; C4-F52 PolarHBondContact O-N 3.28Å; L6-F52 HydrophobicContact CD1-CE2 3.85Å; L6-F52 HydrophobicContact CG-CE2 4.32Å; Y24-F52 HydrophobicContact CD1-CE2 4.31Å; Y24-F52 AromaticContact CD1-CZ 3.94Å; Y24-F52 HydrophobicContact CD1-CZ 3.94Å; Y24-F52 HydrophobicContact CG-CZ 4.38Å; Y24-F52 VanDerWaalsContact O-CE1 3.29Å; Y24-F52 WeakPolarHBondContact O-CE1 3.43Å; K29-F52 CarbonylContact O-C 3.49Å; K29-F52 WeakPolarHBondContact O-CA 3.35Å; V30-F52 HydrophobicContact CG2-CD1 4.01Å; V30-F52 HydrophobicContact CG2-CE1 3.75Å; V30-F52 HydrophobicContact CG2-CZ 4.41Å; V50-F52 HydrophobicContact CG1-CD2 4.26Å; V50-F52 HydrophobicContact CG1-CE2 3.87Å; V50-F52 HydrophobicContact CG1-CZ 4.06Å; F52-M57 HydrophobicContact CB-CB 3.74Å; F52-M57 HydrophobicContact CB-SD 4.12Å; F52-M57 HydrophobicContact CD1-CB 3.57Å; F52-M57 HydrophobicContact CD1-CG 4.3Å; F52-M57 HydrophobicContact CD1-SD 4.06Å; F52-M57 HydrophobicContact CD2-CB 4.41Å; F52-M57 HydrophobicContact CE1-CB 4.22Å; F52-M57 HydrophobicContact CG-CB 3.65Å; F52-V58 HydrophobicContact CB-CG2 4.42Å; F52-V58 HydrophobicContact CD2-CG2 3.77Å; F52-V58 HydrophobicContact CG-CG2 4.5Å; F52-A61 HydrophobicContact CE2-CB 4.25Å; F52-A61 HydrophobicContact CZ-CB 4.23Å
53S96.8Very high95.3Very high48 Ų4843.9 Ų43.934%0.33623%0.234SC..SBendtrans-73.5-26.1175.557.80000114.5K29 I31 M57K29-S53 PolarHBondContact O-N 3.41Å; I31-S53 VanDerWaalsContact CD1-CA 3.48Å; S53-M57 WeakPolarHBondContact OG-CE 3.42Å; S53-M57 PolarHBondContact OG-SD 3.42Å
54N95.2Very high95.8Very high49 Ų4940.2 Ų40.226%0.26222%0.224SC..SBendtrans-142.8171.2177.36833.7000111.3E56 M57N54-E56 PolarHBondContact OD1-N 3.24Å; N54-M57 WeakPolarHBondContact OD1-CG 3.43Å; N54-M57 PolarHBondContact OD1-N 3.3Å
55A93.3Very high96.3Very high37 Ų3742 Ų4231%0.30623%0.228SC..Hα-helixtrans-77-28.5-177.900000112.9N3 M57 V58 D59N3-A55 HydrophobicContact CB-CB 4.24Å; A55-M57 VanDerWaalsContact C-N 3.26Å; A55-M57 PolarHBondContact O-N 3.16Å; A55-V58 WeakPolarHBondContact O-CA 3.45Å; A55-V58 VanDerWaalsContact O-CB 3.26Å; A55-V58 WeakPolarHBondContact O-CB 3.38Å; A55-V58 PolarHBondContact O-N 2.9Å; A55-D59 PolarHBondContact O-N 2.93Å
56E95.8Very high96.6Very high142 Ų14240.2 Ų40.266%0.66423%0.233SC*.Hα-helixtrans-62.1-35.2178.4-65.5147.9-172.900111.7N54 V58 D59 A60N54-E56 PolarHBondContact OD1-N 3.24Å; E56-V58 VanDerWaalsContact C-N 3.31Å; E56-V58 PolarHBondContact O-N 3Å; E56-D59 WeakPolarHBondContact O-CB 3.3Å; E56-D59 PolarHBondContact O-N 3.27Å; E56-A60 WeakPolarHBondContact O-CB 3.45Å; E56-A60 PolarHBondContact O-N 3.31Å
57M97.6Very high96.8Very high34 Ų3439.2 Ų39.217%0.16722%0.222CC..Hα-helixtrans-66.8-32.3174.1-66.9168-177.900112.6Y27 K29 F52 S53 N54 A55 A61Y27-M57 WeakPolarHBondContact O-CG 3.29Å; K29-M57 HydrophobicContact CB-CE 4.15Å; K29-M57 HydrophobicContact CB-SD 4.36Å; K29-M57 PolarHBondContact N-SD 3.3Å; F52-M57 HydrophobicContact CB-CB 3.74Å; F52-M57 HydrophobicContact CB-SD 4.12Å; F52-M57 HydrophobicContact CD1-CB 3.57Å; F52-M57 HydrophobicContact CD1-CG 4.3Å; F52-M57 HydrophobicContact CD1-SD 4.06Å; F52-M57 HydrophobicContact CD2-CB 4.41Å; F52-M57 HydrophobicContact CE1-CB 4.22Å; F52-M57 HydrophobicContact CG-CB 3.65Å; S53-M57 WeakPolarHBondContact OG-CE 3.42Å; S53-M57 PolarHBondContact OG-SD 3.42Å; N54-M57 WeakPolarHBondContact OD1-CG 3.43Å; N54-M57 PolarHBondContact OD1-N 3.3Å; A55-M57 VanDerWaalsContact C-N 3.26Å; A55-M57 PolarHBondContact O-N 3.16Å; M57-A61 WeakPolarHBondContact O-CB 3.37Å; M57-A61 PolarHBondContact O-N 2.81Å
58V97Very high96.9Very high0 Ų043.3 Ų43.30%024%0.24CC..Hα-helixtrans-65.6-44.8170.9170.10000109.9C4 L6 F52 A55 E56 A61 M62 R78C4-V58 WeakPolarHBondContact O-CG2 3.25Å; L6-V58 HydrophobicContact CD2-CG1 3.63Å; L6-V58 HydrophobicContact CG-CG1 4.19Å; L6-V58 HydrophobicContact CG-CG2 4.4Å; F52-V58 HydrophobicContact CB-CG2 4.42Å; F52-V58 HydrophobicContact CD2-CG2 3.77Å; F52-V58 HydrophobicContact CG-CG2 4.5Å; A55-V58 WeakPolarHBondContact O-CA 3.45Å; A55-V58 VanDerWaalsContact O-CB 3.26Å; A55-V58 WeakPolarHBondContact O-CB 3.38Å; A55-V58 PolarHBondContact O-N 2.9Å; E56-V58 VanDerWaalsContact C-N 3.31Å; E56-V58 PolarHBondContact O-N 3Å; V58-A61 PolarHBondContact O-N 3.03Å; V58-M62 HydrophobicContact CG1-CG 4.38Å; V58-M62 WeakPolarHBondContact O-CB 3.22Å; V58-M62 WeakPolarHBondContact O-CG 3.23Å; V58-M62 PolarHBondContact O-N 3.37Å; V58-R78 HydrophobicContact CG1-CG 4.36Å
59D95.9Very high96.9Very high54 Ų5443.3 Ų43.329%0.28924%0.241SC..Hα-helixtrans-63.1-43.8177.8-63.4-32.4000111.4A55 E56 A61 M62 N63 R78A55-D59 PolarHBondContact O-N 2.93Å; E56-D59 WeakPolarHBondContact O-CB 3.3Å; E56-D59 PolarHBondContact O-N 3.27Å; D59-A61 PolarHBondContact O-N 2.88Å; D59-M62 PolarHBondContact O-N 3.41Å; D59-N63 WeakPolarHBondContact O-CB 3.42Å; D59-N63 PolarHBondContact O-N 3.3Å; D59-N63 PolarHBondContact O-ND2 2.95Å; D59-R78 IonicContact OD1-CZ 3.63Å; D59-R78 IonicContact OD1-NH1 3.15Å; D59-R78 PolarHBondContact OD1-NH1 2.99Å; D59-R78 IonicContact OD1-NH2 3.52Å; D59-R78 PolarHBondContact OD1-NH2 2.62Å
60A97.3Very high96.6Very high43 Ų4343.9 Ų43.936%0.35526%0.261SS..Hα-helixtrans-58.9-46.3175.400000112.1E56 N63 A64E56-A60 WeakPolarHBondContact O-CB 3.45Å; E56-A60 PolarHBondContact O-N 3.31Å; A60-N63 PolarHBondContact O-N 3.11Å; A60-A64 WeakPolarHBondContact O-CB 3.29Å; A60-A64 PolarHBondContact O-N 2.91Å; A60-A64 VanDerWaalsContact O-N 3.16Å
61A98.1Very high96.3Very high0 Ų047.4 Ų47.40%030%0.297CS..Hα-helixtrans-63.6-43.4175.500000111.6L6 Y24 Y27 F52 M57 V58 D59 N63 A64 H67L6-A61 HydrophobicContact CD1-CB 3.83Å; Y24-A61 HydrophobicContact CD1-CB 4.43Å; Y24-A61 HydrophobicContact CE1-CB 4.5Å; Y27-A61 HydrophobicContact CD1-CB 4.41Å; Y27-A61 HydrophobicContact CD2-CB 3.73Å; Y27-A61 HydrophobicContact CE2-CB 4.37Å; Y27-A61 HydrophobicContact CG-CB 3.74Å; F52-A61 HydrophobicContact CE2-CB 4.25Å; F52-A61 HydrophobicContact CZ-CB 4.23Å; M57-A61 WeakPolarHBondContact O-CB 3.37Å; M57-A61 PolarHBondContact O-N 2.81Å; V58-A61 PolarHBondContact O-N 3.03Å; D59-A61 PolarHBondContact O-N 2.88Å; A61-N63 VanDerWaalsContact C-N 3.33Å; A61-N63 PolarHBondContact O-N 3.32Å; A61-A64 PolarHBondContact O-N 2.78Å; A61-H67 PolarHBondContact O-CE1 3.32Å; A61-H67 PolarHBondContact O-NE2 3.03Å
62M97.5Very high96.2Very high1 Ų151.5 Ų51.51%0.00531%0.311CS..Hα-helixtrans-67.4-33177.6-69-56.6-70.400112.2L6 V58 D59 A64 R65 P76 Y146 D147L6-M62 HydrophobicContact CD2-CG 3.93Å; L6-M62 HydrophobicContact CD2-SD 3.65Å; V58-M62 HydrophobicContact CG1-CG 4.38Å; V58-M62 WeakPolarHBondContact O-CB 3.22Å; V58-M62 WeakPolarHBondContact O-CG 3.23Å; V58-M62 PolarHBondContact O-N 3.37Å; D59-M62 PolarHBondContact O-N 3.41Å; M62-A64 VanDerWaalsContact C-N 3.3Å; M62-A64 PolarHBondContact O-N 3.09Å; M62-R65 PolarHBondContact O-NE 3.1Å; M62-R65 PolarHBondContact O-NH2 3.31Å; M62-R65 VanDerWaalsContact O-NH2 3.11Å; M62-P76 HydrophobicContact SD-CB 4.19Å; M62-Y146 HydrophobicContact CE-CE2 4.03Å; M62-D147 HydrophobicContact CE-CB 3.93Å; M62-D147 VanDerWaalsContact CE-OD1 3.25Å; M62-D147 WeakPolarHBondContact CE-OD1 3.33Å
63N96.4Very high96.1Very high128 Ų12856 Ų5668%0.68433%0.333SS*.Hα-helixtrans-74.6-21.1178.4-69-19.6000113.1D59 A60 A61D59-N63 WeakPolarHBondContact O-CB 3.42Å; D59-N63 PolarHBondContact O-N 3.3Å; D59-N63 PolarHBondContact O-ND2 2.95Å; A60-N63 PolarHBondContact O-N 3.11Å; A61-N63 VanDerWaalsContact C-N 3.33Å; A61-N63 PolarHBondContact O-N 3.32Å
64A97.6Very high96.1Very high43 Ų4353.9 Ų53.936%0.35532%0.319SS..THydrogen-bonded Turntrans-90.88.5-178.200000114.7Y27 A60 A61 M62 H67Y27-A64 HydrophobicContact CD1-CB 4.12Å; Y27-A64 HydrophobicContact CE1-CB 3.28Å; A60-A64 WeakPolarHBondContact O-CB 3.29Å; A60-A64 PolarHBondContact O-N 2.91Å; A60-A64 VanDerWaalsContact O-N 3.16Å; A61-A64 PolarHBondContact O-N 2.78Å; M62-A64 VanDerWaalsContact C-N 3.3Å; M62-A64 PolarHBondContact O-N 3.09Å; A64-H67 PolarHBondContact O-CD2 3.47Å
65R97.3Very high96.2Very high52 Ų5254.1 Ų54.120%0.19632%0.32CS..PPolyproline II helixtrans-60.8150.4174.1-73.6175.5-71.5158.15111M62 P76 D145 Y146M62-R65 PolarHBondContact O-NE 3.1Å; M62-R65 PolarHBondContact O-NH2 3.31Å; M62-R65 VanDerWaalsContact O-NH2 3.11Å; R65-P76 HydrophobicContact CG-CG 3.61Å; R65-D145 IonicContact CZ-OD1 2.87Å; R65-D145 IonicContact CZ-OD2 3.14Å; R65-D145 IonicContact NH1-OD1 3.16Å; R65-D145 PolarHBondContact NH1-OD1 2.97Å; R65-D145 IonicContact NH1-OD2 3.79Å; R65-D145 PolarHBondContact NH1-OD2 2.99Å; R65-D145 VanDerWaalsContact NH1-OD2 3.14Å; R65-D145 IonicContact NH2-OD1 3.83Å; R65-D145 IonicContact NH2-OD2 3.72Å; R65-D145 PolarHBondContact NH2-OD2 3.06Å; R65-Y146 WeakPolarHBondContact CD-OH 3.47Å; R65-Y146 PolarHBondContact NH1-OH 3.3Å
66P97.3Very high96.3Very high88 Ų8852.4 Ų52.457%0.57131%0.306SS*.SBendcis-77.9149.63.331.6-35.7000113.7F68 M73P66-F68 HydrophobicContact CB-CE2 4.27Å; P66-F68 HydrophobicContact CG-CE2 4.04Å; P66-M73 HydrophobicContact CB-CG 4.48Å; P66-M73 HydrophobicContact CB-SD 4.23Å
67H97.9Very high96.3Very high0 Ų046.9 Ų46.90%028%0.279CS..EExtended strand (participates in β ladder)trans-102.7134.8179-68.5173.5000111.6F23 Y24 Y27 A61 A64 M73 V74F23-H67 HydrophobicContact CE1-CB 3.69Å; F23-H67 AromaticContact CE1-CG 3.57Å; F23-H67 AromaticContact CE1-ND1 3.69Å; F23-H67 HydrophobicContact CZ-CB 3.58Å; F23-H67 AromaticContact CZ-CG 3.7Å; Y24-H67 AromaticContact CE1-CE1 3.77Å; Y24-H67 AromaticContact CE1-ND1 3.57Å; Y24-H67 AromaticContact CZ-ND1 3.64Å; Y24-H67 PolarHBondContact OH-ND1 3.39Å; Y24-H67 VanDerWaalsContact OH-ND1 3.09Å; Y27-H67 AromaticContact CE2-CE1 3.95Å; Y27-H67 AromaticContact CE2-NE2 3.94Å; Y27-H67 AromaticContact CZ-NE2 3.65Å; Y27-H67 PolarHBondContact OH-CD2 2.71Å; Y27-H67 PolarHBondContact OH-NE2 3.28Å; A61-H67 PolarHBondContact O-CE1 3.32Å; A61-H67 PolarHBondContact O-NE2 3.03Å; A64-H67 PolarHBondContact O-CD2 3.47Å; H67-M73 WeakPolarHBondContact O-CA 3.32Å; H67-V74 HydrophobicContact CB-CG2 3.54Å; H67-V74 PolarHBondContact O-N 2.85Å
68F97.3Very high96.1Very high122 Ų12246.3 Ų46.354%0.53528%0.275SS..EExtended strand (participates in β ladder)trans-115.8107.5173.8-66.5-91.4000110.3F23 P66 R72 M73F23-F68 VanDerWaalsContact CE2-O 3.22Å; F23-F68 WeakPolarHBondContact CE2-O 3.23Å; P66-F68 HydrophobicContact CB-CE2 4.27Å; P66-F68 HydrophobicContact CG-CE2 4.04Å; F68-R72 CarbonylContact C-O 3.54Å; F68-R72 WeakPolarHBondContact CA-O 3.49Å; F68-M73 HydrophobicContact CD1-CB 4.07Å; F68-M73 HydrophobicContact CE1-CB 3.79Å; F68-M73 HydrophobicContact CE1-CG 4.28Å; F68-M73 HydrophobicContact CZ-CB 4.4Å; F68-M73 HydrophobicContact CZ-CG 4.41Å; F68-M73 HydrophobicContact CZ-SD 4.44Å
69V96.6Very high96Very high1 Ų146.7 Ų46.71%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-110.7114.2-178.7-175.40000108.8T15 I19 L20 F23 Y24 G71 R72 V74T15-V69 HydrophobicContact CG2-CG1 3.89Å; I19-V69 HydrophobicContact CG2-CG1 3.77Å; L20-V69 HydrophobicContact CD1-CG1 4.19Å; F23-V69 HydrophobicContact CB-CG1 4.46Å; F23-V69 HydrophobicContact CB-CG2 4.26Å; F23-V69 HydrophobicContact CD1-CG2 3.64Å; F23-V69 HydrophobicContact CD2-CG2 4.03Å; F23-V69 HydrophobicContact CE1-CG2 3.95Å; F23-V69 HydrophobicContact CE2-CG2 4.31Å; F23-V69 HydrophobicContact CG-CG2 3.69Å; F23-V69 HydrophobicContact CZ-CG2 4.28Å; Y24-V69 HydrophobicContact CE2-CG2 4.46Å; V69-G71 VanDerWaalsContact C-N 3.28Å; V69-G71 PolarHBondContact O-N 3.01Å; V69-R72 PolarHBondContact N-O 2.98Å; V69-R72 PolarHBondContact O-N 3.33Å; V69-V74 HydrophobicContact CB-CG1 3.82Å; V69-V74 HydrophobicContact CB-CG2 4.48Å; V69-V74 HydrophobicContact CG2-CB 4.49Å; V69-V74 HydrophobicContact CG2-CG1 3.94Å; V69-V74 HydrophobicContact CG2-CG2 3.69Å
70G89.5Confident95.7Very high64 Ų6445 Ų4566%0.6627%0.269SS*.THydrogen-bonded Turntrans61.835.6-176.200000113.1R72G70-R72 PolarHBondContact O-N 3.48Å
71G91.7Very high95.2Very high74 Ų7444 Ų4476%0.76326%0.259SS*.THydrogen-bonded Turntrans78.3-2-179.100000115.1V69V69-G71 VanDerWaalsContact C-N 3.28Å; V69-G71 PolarHBondContact O-N 3.01Å
72R95.8Very high94.5Very high99 Ų9950.8 Ų50.837%0.37429%0.289SS..EExtended strand (participates in β ladder)trans-105.2134.1177-172.7172.1179.9145.2-0.9110.7N10 F68 V69 G70 V74N10-R72 WeakPolarHBondContact O-CD 3.46Å; N10-R72 PolarHBondContact O-NE 3.2Å; N10-R72 VanDerWaalsContact O-NE 3.14Å; N10-R72 PolarHBondContact OD1-NE 2.97Å; N10-R72 PolarHBondContact OD1-NH2 2.84Å; F68-R72 CarbonylContact C-O 3.54Å; F68-R72 WeakPolarHBondContact CA-O 3.49Å; V69-R72 PolarHBondContact N-O 2.98Å; V69-R72 PolarHBondContact O-N 3.33Å; G70-R72 PolarHBondContact O-N 3.48Å; R72-V74 PolarHBondContact O-N 2.83Å
73M97.1Very high93.8Very high96 Ų9656.3 Ų56.347%0.47331%0.314SS..EExtended strand (participates in β ladder)trans-68123.2170.5-170.8173.468.900109.5N10 P66 H67 F68N10-M73 PolarHBondContact ND2-O 3.09Å; P66-M73 HydrophobicContact CB-CG 4.48Å; P66-M73 HydrophobicContact CB-SD 4.23Å; H67-M73 WeakPolarHBondContact O-CA 3.32Å; F68-M73 HydrophobicContact CD1-CB 4.07Å; F68-M73 HydrophobicContact CE1-CB 3.79Å; F68-M73 HydrophobicContact CE1-CG 4.28Å; F68-M73 HydrophobicContact CZ-CB 4.4Å; F68-M73 HydrophobicContact CZ-CG 4.41Å; F68-M73 HydrophobicContact CZ-SD 4.44Å
74V97Very high93Very high4 Ų450.9 Ų50.92%0.02429%0.286CS..EExtended strand (participates in β ladder)trans-105162.4-179.7-60.10000110.9I8 L11 H67 V69 R72 P76I8-V74 HydrophobicContact CG2-CB 4.02Å; I8-V74 HydrophobicContact CG2-CG2 4.03Å; L11-V74 HydrophobicContact CD2-CG1 3.85Å; H67-V74 HydrophobicContact CB-CG2 3.54Å; H67-V74 PolarHBondContact O-N 2.85Å; V69-V74 HydrophobicContact CB-CG1 3.82Å; V69-V74 HydrophobicContact CB-CG2 4.48Å; V69-V74 HydrophobicContact CG2-CB 4.49Å; V69-V74 HydrophobicContact CG2-CG1 3.94Å; V69-V74 HydrophobicContact CG2-CG2 3.69Å; R72-V74 PolarHBondContact O-N 2.83Å; V74-P76 VanDerWaalsContact C-CD 3.44Å; V74-P76 WeakPolarHBondContact O-CD 3.22Å
75D95.3Very high92.2Very high54 Ų5450.6 Ų50.629%0.28928%0.278SS..EExtended strand (participates in β ladder)trans-110.778.5-177.6-62.7-24000110.7G9 N10 R77G9-D75 PolarHBondContact N-O 2.7Å; G9-D75 PolarHBondContact O-N 3.41Å; N10-D75 HydrophobicContact CB-CB 4.4Å; D75-R77 IonicContact OD2-NH2 3.96Å
76P96.8Very high91.2Very high1 Ų153.6 Ų53.61%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-71.2139.4177.431-34.7000111F7 I8 M62 R65 V74 Y146F7-P76 CarbonylContact O-C 3.52Å; F7-P76 WeakPolarHBondContact O-CA 3.3Å; I8-P76 HydrophobicContact CD1-CB 4Å; M62-P76 HydrophobicContact SD-CB 4.19Å; R65-P76 HydrophobicContact CG-CG 3.61Å; V74-P76 VanDerWaalsContact C-CD 3.44Å; V74-P76 WeakPolarHBondContact O-CD 3.22Å; P76-Y146 WeakPolarHBondContact O-CE2 3.16Å; P76-Y146 PolarHBondContact O-OH 3.26Å; P76-Y146 VanDerWaalsContact O-OH 3.13Å
77R95.3Very high89.9Confident26 Ų2656 Ų5610%0.09830%0.301CS..EExtended strand (participates in β ladder)trans-146.4155.7179.9-60.5-177.8-163.4160.35.1110L6 F7 D75 A79 P91 A93 Y146L6-R77 CarbonylContact C-O 3.55Å; L6-R77 WeakPolarHBondContact CA-O 3.49Å; L6-R77 VanDerWaalsContact CD2-O 3.29Å; L6-R77 WeakPolarHBondContact CD2-O 3.26Å; F7-R77 HydrophobicContact CB-CB 4.5Å; F7-R77 HydrophobicContact CD1-CB 4.19Å; F7-R77 HydrophobicContact CD1-CG 4.43Å; F7-R77 PolarHBondContact N-O 2.83Å; F7-R77 PolarHBondContact O-N 2.85Å; D75-R77 IonicContact OD2-NH2 3.96Å; R77-A79 PolarHBondContact O-N 2.96Å; R77-P91 PolarHBondContact NH1-O 3.17Å; R77-A93 VanDerWaalsContact CZ-N 3.25Å; R77-Y146 HydrophobicContact CG-CD2 4.33Å; R77-Y146 HydrophobicContact CG-CE2 3.9Å
78R94.2Very high88.6Confident22 Ų2256.8 Ų56.88%0.08331%0.306CS..EExtended strand (participates in β ladder)trans-66.1130.4172.3-61.5-178.9-173.5-99.90.4108.7V58 D59 L80 D147 D150V58-R78 HydrophobicContact CG1-CG 4.36Å; D59-R78 IonicContact OD1-CZ 3.63Å; D59-R78 IonicContact OD1-NH1 3.15Å; D59-R78 PolarHBondContact OD1-NH1 2.99Å; D59-R78 IonicContact OD1-NH2 3.52Å; D59-R78 PolarHBondContact OD1-NH2 2.62Å; R78-L80 PolarHBondContact O-N 3.32Å; R78-D147 WeakPolarHBondContact CD-OD1 3.42Å; R78-D147 WeakPolarHBondContact CG-OD1 3.34Å; R78-D147 IonicContact CZ-OD1 3.27Å; R78-D147 IonicContact CZ-OD2 3.58Å; R78-D147 IonicContact NE-OD1 2.68Å; R78-D147 PolarHBondContact NE-OD1 3.45Å; R78-D147 IonicContact NE-OD2 2.88Å; R78-D147 PolarHBondContact NE-OD2 2.62Å; R78-D147 IonicContact NH2-OD1 3.34Å; R78-D147 IonicContact NH2-OD2 2.73Å; R78-D147 PolarHBondContact NH2-OD2 2.68Å; R78-D150 HydrophobicContact CB-CB 3.99Å
79A93.2Very high87.2Confident9 Ų952.7 Ų52.77%0.07429%0.293CS..  trans-66.4129.4176.500000109.5K5 F49 R77 K154K5-A79 HydrophobicContact CB-CB 3.89Å; K5-A79 HydrophobicContact CD-CB 4.1Å; K5-A79 HydrophobicContact CG-CB 3.62Å; K5-A79 VanDerWaalsContact O-CB 3.23Å; K5-A79 WeakPolarHBondContact O-CB 3.38Å; K5-A79 PolarHBondContact O-N 2.86Å; F49-A79 HydrophobicContact CD1-CB 4.18Å; F49-A79 HydrophobicContact CE1-CB 4.22Å; R77-A79 PolarHBondContact O-N 2.96Å; A79-K154 PolarHBondContact O-NZ 3.3Å; A79-K154 VanDerWaalsContact O-NZ 3.11Å
80L89.9Confident85.8Confident17 Ų1753.4 Ų53.49%0.08930%0.301CS..  trans-104.8149.7172.5-63.3178.7000109.5R78 V84 L85 I153 K154R78-L80 PolarHBondContact O-N 3.32Å; L80-V84 HydrophobicContact CD1-CG1 4.39Å; L80-L85 HydrophobicContact CB-CD2 3.96Å; L80-L85 HydrophobicContact CB-CG 4.01Å; L80-L85 HydrophobicContact CD1-CD2 4.11Å; L80-I153 HydrophobicContact CD1-CG2 3.93Å; L80-I153 HydrophobicContact CD2-CG2 4.11Å; L80-K154 HydrophobicContact CD2-CB 4.12Å
81P86.4Confident84.9Confident24 Ų2453.6 Ų53.616%0.15629%0.29CS..  trans-58.2153.8171.1-21.333.4000111.7E83 V84 L85 C157P81-E83 VanDerWaalsContact C-N 3.31Å; P81-E83 WeakPolarHBondContact CB-OE2 3.27Å; P81-E83 PolarHBondContact O-N 3.07Å; P81-V84 HydrophobicContact CB-CG2 4.35Å; P81-V84 HydrophobicContact CG-CG2 4.34Å; P81-V84 PolarHBondContact O-N 2.87Å; P81-L85 WeakPolarHBondContact O-CG 3.45Å; P81-L85 PolarHBondContact O-N 2.91Å; P81-C157 VanDerWaalsContact CD-SG 3.58Å; P81-C157 HydrophobicContact CG-CB 4.04Å
82K84.5Confident84.3Confident142 Ų14252.5 Ų52.562%0.61727%0.266SS*.Hα-helixtrans-64-40-177.6-171.5-173.7171.6-166.50111.4V84 L85 D86K82-V84 VanDerWaalsContact C-N 3.25Å; K82-V84 PolarHBondContact O-N 3.28Å; K82-L85 CarbonylContact O-C 3.6Å; K82-L85 WeakPolarHBondContact O-CA 3.49Å; K82-L85 WeakPolarHBondContact O-CB 3.25Å; K82-L85 PolarHBondContact O-N 3.32Å; K82-D86 WeakPolarHBondContact CE-OD2 3.48Å; K82-D86 VanDerWaalsContact O-CG 3.28Å; K82-D86 PolarHBondContact O-N 3Å
83E82.5Confident83.8Confident116 Ų11649.2 Ų49.254%0.54226%0.26SS..Hα-helixtrans-58-42.4180-57.470.3-152.500110.6P81 D86 E87P81-E83 VanDerWaalsContact C-N 3.31Å; P81-E83 WeakPolarHBondContact CB-OE2 3.27Å; P81-E83 PolarHBondContact O-N 3.07Å; E83-D86 PolarHBondContact O-N 3.48Å; E83-E87 WeakPolarHBondContact O-CB 3.48Å; E83-E87 VanDerWaalsContact O-CG 3.29Å; E83-E87 WeakPolarHBondContact O-CG 3.37Å; E83-E87 PolarHBondContact O-N 3.4Å
84V80.7Confident83.5Confident15 Ų1545.5 Ų45.59%0.09124%0.243CC..Hα-helixtrans-71-36.4176.3173.30000111.2L80 P81 K82 D86 T88 I153 C157L80-V84 HydrophobicContact CD1-CG1 4.39Å; P81-V84 HydrophobicContact CB-CG2 4.35Å; P81-V84 HydrophobicContact CG-CG2 4.34Å; P81-V84 PolarHBondContact O-N 2.87Å; K82-V84 VanDerWaalsContact C-N 3.25Å; K82-V84 PolarHBondContact O-N 3.28Å; V84-D86 VanDerWaalsContact C-N 3.32Å; V84-T88 HydrophobicContact CG1-CG2 4.17Å; V84-T88 WeakPolarHBondContact O-CB 3.17Å; V84-T88 WeakPolarHBondContact O-CG2 3.06Å; V84-T88 PolarHBondContact O-N 3.32Å; V84-T88 PolarHBondContact O-OG1 3.3Å; V84-I153 HydrophobicContact CG1-CG2 3.29Å; V84-C157 WeakPolarHBondContact CG2-SG 3.28Å
85L80.5Confident83.4Confident37 Ų3748.6 Ų48.619%0.19426%0.259CS..Hα-helixtrans-67.2-33.3175.3-69.4172.4000112.6L80 P81 K82 T88 G90 P91L80-L85 HydrophobicContact CB-CD2 3.96Å; L80-L85 HydrophobicContact CB-CG 4.01Å; L80-L85 HydrophobicContact CD1-CD2 4.11Å; P81-L85 WeakPolarHBondContact O-CG 3.45Å; P81-L85 PolarHBondContact O-N 2.91Å; K82-L85 CarbonylContact O-C 3.6Å; K82-L85 WeakPolarHBondContact O-CA 3.49Å; K82-L85 WeakPolarHBondContact O-CB 3.25Å; K82-L85 PolarHBondContact O-N 3.32Å; L85-T88 CarbonylContact O-C 3.57Å; L85-G90 VanDerWaalsContact O-CA 3.27Å; L85-G90 WeakPolarHBondContact O-CA 3.19Å; L85-G90 PolarHBondContact O-N 3.04Å; L85-G90 VanDerWaalsContact O-N 3.09Å; L85-P91 HydrophobicContact CD2-CB 4.26Å
86D75.8Confident83.4Confident115 Ų11549.7 Ų49.762%0.61526%0.26SS*.Hα-helixtrans-76.4-37.2177.7-65.9-17.6000111K82 E83 V84K82-D86 WeakPolarHBondContact CE-OD2 3.48Å; K82-D86 VanDerWaalsContact O-CG 3.28Å; K82-D86 PolarHBondContact O-N 3Å; E83-D86 PolarHBondContact O-N 3.48Å; V84-D86 VanDerWaalsContact C-N 3.32Å
87E70.6Confident83.4Confident137 Ų13749.6 Ų49.664%0.6426%0.259SS*.Hα-helixtrans-72.6-31.7173.5-73.9173.8-169.400112.9E83E83-E87 WeakPolarHBondContact O-CB 3.48Å; E83-E87 VanDerWaalsContact O-CG 3.29Å; E83-E87 WeakPolarHBondContact O-CG 3.37Å; E83-E87 PolarHBondContact O-N 3.4Å
88T68.8Low83.3Confident17 Ų1749.7 Ų49.710%0.10426%0.26CS..THydrogen-bonded Turntrans-95.1178.8175.266.40000110V84 L85 G90V84-T88 HydrophobicContact CG1-CG2 4.17Å; V84-T88 WeakPolarHBondContact O-CB 3.17Å; V84-T88 WeakPolarHBondContact O-CG2 3.06Å; V84-T88 PolarHBondContact O-N 3.32Å; V84-T88 PolarHBondContact O-OG1 3.3Å; L85-T88 CarbonylContact O-C 3.57Å; T88-G90 PolarHBondContact O-N 3.15Å
89S68Low83.4Confident37 Ų3748.7 Ų48.726%0.25926%0.256SS..THydrogen-bonded Turntrans-77.239.5-177.8-53.80000113.9I92 L177S89-I92 WeakPolarHBondContact O-CD1 3.34Å; S89-I92 VanDerWaalsContact O-CG1 3.25Å; S89-I92 WeakPolarHBondContact O-CG1 3.05Å; S89-L177 VanDerWaalsContact CB-CD1 3.42Å; S89-L177 WeakPolarHBondContact OG-CD1 3.37Å; S89-L177 WeakPolarHBondContact OG-CG 3.46Å
90G68.7Low83.5Confident16 Ų1654.8 Ų54.817%0.16528%0.278CS..SBendtrans69.9-167.9179.300000114.8L85 T88 I92L85-G90 VanDerWaalsContact O-CA 3.27Å; L85-G90 WeakPolarHBondContact O-CA 3.19Å; L85-G90 PolarHBondContact O-N 3.04Å; L85-G90 VanDerWaalsContact O-N 3.09Å; T88-G90 PolarHBondContact O-N 3.15Å; G90-I92 PolarHBondContact O-N 2.97Å
91P69.8Low83.7Confident68 Ų6855.9 Ų55.944%0.44229%0.293SS..SBendtrans-77.970.5177.734-34.7000108.8F7 R77 L85F7-P91 HydrophobicContact CE2-CB 4.44Å; F7-P91 HydrophobicContact CZ-CB 4.27Å; R77-P91 PolarHBondContact NH1-O 3.17Å; L85-P91 HydrophobicContact CD2-CB 4.26Å
92I79Confident84.1Confident50 Ų5055.4 Ų55.426%0.25629%0.289SS..  trans-108.1137.8175.5-66.5-179.3000109.4S89 G90 K175 L177S89-I92 WeakPolarHBondContact O-CD1 3.34Å; S89-I92 VanDerWaalsContact O-CG1 3.25Å; S89-I92 WeakPolarHBondContact O-CG1 3.05Å; G90-I92 PolarHBondContact O-N 2.97Å; I92-K175 WeakPolarHBondContact O-CD 3.14Å; I92-K175 PolarHBondContact O-NZ 3.13Å; I92-L177 HydrophobicContact CD1-CD2 3.78Å
93A85.1Confident84.5Confident30 Ų3050.2 Ų50.225%0.24827%0.271CS..  trans-80.2120.1166.600000107.9R77 Y146 R181R77-A93 VanDerWaalsContact CZ-N 3.25Å; A93-Y146 HydrophobicContact CB-CD1 4.36Å; A93-Y146 HydrophobicContact CB-CD2 4.45Å; A93-Y146 HydrophobicContact CB-CG 4.12Å; A93-R181 PolarHBondContact O-NH1 2.89Å; A93-R181 VanDerWaalsContact O-NH1 3.09Å
94T91.6Very high84.9Confident18 Ų1850.9 Ų50.911%0.1127%0.274CS..  trans-140.8144.7170.4-176.30000106.4R96 Y146 V149 K175 F176T94-R96 VanDerWaalsContact C-N 3.26Å; T94-R96 WeakPolarHBondContact CG2-O 3.39Å; T94-R96 PolarHBondContact OG1-N 3.38Å; T94-Y146 WeakPolarHBondContact O-CA 3.29Å; T94-Y146 VanDerWaalsContact O-CB 3.26Å; T94-Y146 WeakPolarHBondContact O-CB 3.46Å; T94-V149 HydrophobicContact CG2-CG1 3.99Å; T94-V149 WeakPolarHBondContact O-CG2 3.34Å; T94-K175 HydrophobicContact CG2-CB 3.87Å; T94-K175 HydrophobicContact CG2-CD 4.29Å; T94-K175 HydrophobicContact CG2-CG 4.16Å; T94-F176 PolarHBondContact OG1-O 3.48Å; T94-F176 VanDerWaalsContact OG1-O 3.04Å
95N95.2Very high85.3Confident69 Ų6956.7 Ų56.737%0.36930%0.3SS..SBendtrans-92.512.9171.467-39.7000111.4C142 F143 D145N95-C142 CarbonylContact O-C 3.53Å; N95-C142 WeakPolarHBondContact O-CA 3.49Å; N95-F143 WeakPolarHBondContact CB-O 3.33Å; N95-F143 PolarHBondContact ND2-O 3.05Å; N95-F143 PolarHBondContact O-N 3.16Å; N95-D145 WeakPolarHBondContact CA-O 3.12Å; N95-D145 WeakPolarHBondContact CB-O 3.25Å
96R95.5Very high86Confident77 Ų7755 Ų5529%0.29129%0.291SS..EExtended strand (participates in β ladder)trans-125.1133.5-174.9-55.6-178.499.5176.911.8111.6T94 E123 V140 V141 C142 F176T94-R96 VanDerWaalsContact C-N 3.26Å; T94-R96 WeakPolarHBondContact CG2-O 3.39Å; T94-R96 PolarHBondContact OG1-N 3.38Å; R96-E123 IonicContact NH2-OE2 3.93Å; R96-E123 PolarHBondContact NH2-OE2 3.14Å; R96-E123 VanDerWaalsContact NH2-OE2 3.16Å; R96-V140 HydrophobicContact CB-CG1 4.29Å; R96-V141 CarbonylContact C-O 3.53Å; R96-V141 VanDerWaalsContact CA-O 3.3Å; R96-V141 WeakPolarHBondContact CA-O 2.96Å; R96-C142 HydrophobicContact CG-CB 4.36Å; R96-C142 VanDerWaalsContact CZ-SG 3.59Å; R96-C142 PolarHBondContact NE-SG 2.9Å; R96-C142 PolarHBondContact NH2-SG 2.82Å; R96-F176 HydrophobicContact CB-CB 3.77Å; R96-F176 HydrophobicContact CB-CD1 4.13Å; R96-F176 HydrophobicContact CB-CG 4.32Å; R96-F176 WeakPolarHBondContact O-CB 3.49Å; R96-F176 PolarHBondContact O-N 2.71Å
97I95.4Very high86.8Confident0 Ų052.6 Ų52.60%028%0.278CS..EExtended strand (participates in β ladder)trans-106.6148.1168.256.3175.5000111V99 F115 V140 V141 F143 V149 V173 S174I97-V99 HydrophobicContact CD1-CG2 3.94Å; I97-V99 HydrophobicContact CG1-CG2 4.07Å; I97-F115 HydrophobicContact CD1-CD1 3.56Å; I97-F115 HydrophobicContact CD1-CD2 4.41Å; I97-F115 HydrophobicContact CD1-CE1 3.58Å; I97-F115 HydrophobicContact CD1-CE2 4.42Å; I97-F115 HydrophobicContact CD1-CG 4.02Å; I97-F115 HydrophobicContact CD1-CZ 4.04Å; I97-V140 WeakPolarHBondContact O-CA 3.44Å; I97-V141 HydrophobicContact CD1-CB 3.98Å; I97-V141 HydrophobicContact CD1-CG1 4.47Å; I97-V141 HydrophobicContact CD1-CG2 4.45Å; I97-V141 HydrophobicContact CG1-CB 3.64Å; I97-V141 HydrophobicContact CG1-CG1 4.42Å; I97-V141 HydrophobicContact CG1-CG2 4.4Å; I97-V141 PolarHBondContact N-O 3.17Å; I97-V141 PolarHBondContact O-N 3.32Å; I97-F143 HydrophobicContact CD1-CE2 3.89Å; I97-F143 HydrophobicContact CD1-CZ 4.16Å; I97-F143 HydrophobicContact CG1-CE2 3.96Å; I97-F143 HydrophobicContact CG2-CE2 4.32Å; I97-V149 HydrophobicContact CG2-CB 4.12Å; I97-V149 HydrophobicContact CG2-CG1 3.75Å; I97-V149 HydrophobicContact CG2-CG2 4Å; I97-V173 HydrophobicContact CD1-CG1 4.2Å; I97-S174 CarbonylContact C-O 3.55Å; I97-S174 WeakPolarHBondContact CA-O 3.38Å
98F94.4Very high88.1Confident28 Ų2848.3 Ų48.312%0.12326%0.262CS..EExtended strand (participates in β ladder)trans-98.5123.1166.8-169.3-105.7000108.6R100 Y138 V140 V173 S174 F176F98-R100 HydrophobicContact CD1-CG 3.63Å; F98-R100 HydrophobicContact CE1-CG 3.3Å; F98-R100 VanDerWaalsContact CE1-NE 3.34Å; F98-R100 HydrophobicContact CZ-CG 4.43Å; F98-Y138 HydrophobicContact CD2-CD2 4.08Å; F98-Y138 HydrophobicContact CE1-CD2 4.28Å; F98-Y138 HydrophobicContact CE1-CG 4.23Å; F98-Y138 AromaticContact CE2-CD2 3.06Å; F98-Y138 HydrophobicContact CE2-CD2 3.06Å; F98-Y138 AromaticContact CE2-CE2 3.36Å; F98-Y138 HydrophobicContact CE2-CE2 3.36Å; F98-Y138 AromaticContact CE2-CG 3.8Å; F98-Y138 HydrophobicContact CE2-CG 3.8Å; F98-Y138 HydrophobicContact CZ-CD1 4.03Å; F98-Y138 AromaticContact CZ-CD2 3.17Å; F98-Y138 HydrophobicContact CZ-CD2 3.17Å; F98-Y138 HydrophobicContact CZ-CE1 4.44Å; F98-Y138 AromaticContact CZ-CE2 3.66Å; F98-Y138 HydrophobicContact CZ-CE2 3.66Å; F98-Y138 AromaticContact CZ-CG 3.38Å; F98-Y138 HydrophobicContact CZ-CG 3.38Å; F98-V140 HydrophobicContact CD2-CG2 4.1Å; F98-V173 CarbonylContact O-C 3.52Å; F98-V173 VanDerWaalsContact O-CA 3.26Å; F98-V173 WeakPolarHBondContact O-CA 3.4Å; F98-S174 PolarHBondContact N-O 3.36Å; F98-S174 PolarHBondContact O-N 3.29Å; F98-F176 HydrophobicContact CB-CB 4.42Å; F98-F176 HydrophobicContact CB-CD2 4.07Å; F98-F176 AromaticContact CD2-CD2 3.73Å; F98-F176 HydrophobicContact CD2-CD2 3.73Å; F98-F176 AromaticContact CD2-CE2 3.98Å; F98-F176 HydrophobicContact CD2-CE2 3.98Å; F98-F176 HydrophobicContact CG-CD2 4.34Å
99V96Very high89.4Confident0 Ų053 Ų530%028%0.283CS..EExtended strand (participates in β ladder)trans-110.1111.9-177.4-170.10000108.7I97 I102 F115 Y138 A139 V141 C171 V173I97-V99 HydrophobicContact CD1-CG2 3.94Å; I97-V99 HydrophobicContact CG1-CG2 4.07Å; V99-I102 HydrophobicContact CB-CG2 4.39Å; V99-I102 HydrophobicContact CG1-CG2 3.79Å; V99-F115 HydrophobicContact CB-CE2 4.47Å; V99-F115 HydrophobicContact CB-CZ 4.48Å; V99-F115 HydrophobicContact CG1-CE2 3.98Å; V99-F115 HydrophobicContact CG1-CZ 3.87Å; V99-F115 HydrophobicContact CG2-CE2 3.68Å; V99-F115 HydrophobicContact CG2-CZ 3.73Å; V99-Y138 CarbonylContact O-C 3.51Å; V99-Y138 WeakPolarHBondContact O-CA 3.37Å; V99-Y138 WeakPolarHBondContact O-CB 3.32Å; V99-A139 HydrophobicContact CB-CB 4.47Å; V99-A139 PolarHBondContact N-O 3.13Å; V99-A139 PolarHBondContact O-N 2.92Å; V99-V141 HydrophobicContact CG2-CG2 3.88Å; V99-C171 HydrophobicContact CG1-CB 3.88Å; V99-V173 HydrophobicContact CB-CG1 4.44Å; V99-V173 HydrophobicContact CG1-CG1 4.21Å; V99-V173 HydrophobicContact CG2-CG1 4.06Å
100R94.6Very high90.8Very high138 Ų13852.3 Ų52.352%0.52128%0.277SS..EExtended strand (participates in β ladder)trans-97150.9174.8-70.1-178.7174.41124.4110.7F98 C171 V172F98-R100 HydrophobicContact CD1-CG 3.63Å; F98-R100 HydrophobicContact CE1-CG 3.3Å; F98-R100 VanDerWaalsContact CE1-NE 3.34Å; F98-R100 HydrophobicContact CZ-CG 4.43Å; R100-C171 CarbonylContact O-C 3.56Å; R100-C171 WeakPolarHBondContact O-CA 3.44Å; R100-V172 PolarHBondContact N-O 3.16Å; R100-V172 PolarHBondContact O-N 2.73Å
101G95.1Very high92.2Very high40 Ų4051.6 Ų51.641%0.41227%0.269SS..  trans87.918.5173.500000113.8G137G101-G137 PolarHBondContact N-O 3.23Å
102I94.8Very high93.5Very high13 Ų1352.5 Ų52.57%0.06727%0.268CS..  trans-70137.5176.167.6170.2000110.4V99 H106 L111 I126 G137 Y138 A139V99-I102 HydrophobicContact CB-CG2 4.39Å; V99-I102 HydrophobicContact CG1-CG2 3.79Å; I102-H106 WeakPolarHBondContact CA-ND1 3.33Å; I102-H106 HydrophobicContact CB-CB 4.44Å; I102-H106 WeakPolarHBondContact CB-ND1 3.5Å; I102-L111 HydrophobicContact CD1-CD1 4.49Å; I102-L111 HydrophobicContact CG2-CD1 4.3Å; I102-L111 HydrophobicContact CG2-CD2 3.99Å; I102-I126 HydrophobicContact CD1-CD1 4.44Å; I102-I126 HydrophobicContact CD1-CG1 4.17Å; I102-I126 HydrophobicContact CD1-CG2 3.99Å; I102-G137 VanDerWaalsContact CG1-C 3.47Å; I102-G137 PolarHBondContact N-O 3.42Å; I102-Y138 VanDerWaalsContact CD1-C 3.48Å; I102-Y138 WeakPolarHBondContact CD1-O 3.3Å; I102-A139 HydrophobicContact CD1-CB 3.89Å
103S92.8Very high94.4Very high34 Ų3457.6 Ų57.624%0.23829%0.291CS..  trans-72162.1174173.60000112.2Q105 H106S103-Q105 PolarHBondContact O-N 2.88Å; S103-Q105 PolarHBondContact OG-N 2.72Å; S103-Q105 VanDerWaalsContact OG-N 3.13Å; S103-H106 PolarHBondContact N-ND1 3.45Å; S103-H106 PolarHBondContact O-N 3.27Å
104H89.5Confident95Very high130 Ų13057.5 Ų57.560%0.60228%0.284SS*.THydrogen-bonded Turntrans-66.1-12.2167.874-79.1000113.2R135H104-R135 PolarHBondContact O-NH1 2.88Å; H104-R135 PolarHBondContact O-NH2 3.39Å
105Q89.7Confident95.3Very high136 Ų13656.7 Ų56.764%0.63628%0.279SS*.THydrogen-bonded Turntrans-85.6-25.7175.8-65.2178.9-000112.2S103 N107S103-Q105 PolarHBondContact O-N 2.88Å; S103-Q105 PolarHBondContact OG-N 2.72Å; S103-Q105 VanDerWaalsContact OG-N 3.13Å; Q105-N107 PolarHBondContact O-N 2.71Å
106H94.6Very high95.5Very high1 Ų155.9 Ų55.91%0.00528%0.279CS..  trans-67.4128.5178.5-60.7151.1000111.4I102 S103 T110 L111 I126 R135 V166 D167 A169I102-H106 WeakPolarHBondContact CA-ND1 3.33Å; I102-H106 HydrophobicContact CB-CB 4.44Å; I102-H106 WeakPolarHBondContact CB-ND1 3.5Å; S103-H106 PolarHBondContact N-ND1 3.45Å; S103-H106 PolarHBondContact O-N 3.27Å; H106-T110 WeakPolarHBondContact CA-OG1 3.09Å; H106-T110 WeakPolarHBondContact CB-OG1 3.08Å; H106-L111 HydrophobicContact CB-CD2 4.34Å; H106-L111 HydrophobicContact CB-CG 4.4Å; H106-I126 VanDerWaalsContact O-CD1 3.27Å; H106-I126 WeakPolarHBondContact O-CD1 3.46Å; H106-R135 PolarHBondContact O-NH1 2.82Å; H106-V166 PolarHBondContact CE1-O 3.36Å; H106-V166 PolarHBondContact NE2-O 2.87Å; H106-D167 IonicContact CD2-OD2 2.71Å; H106-A169 VanDerWaalsContact CE1-CB 3.49Å; H106-A169 WeakPolarHBondContact CE1-CB 3.4Å
107N94.6Very high95.6Very high66 Ų6659.1 Ų59.135%0.35329%0.291SS..  trans-109.9171.1167.661.522.1000109.4Q105 E109 T110 L111Q105-N107 PolarHBondContact O-N 2.71Å; N107-E109 WeakPolarHBondContact CB-OE2 3.43Å; N107-E109 PolarHBondContact O-N 3.24Å; N107-E109 PolarHBondContact OD1-N 3.16Å; N107-E109 PolarHBondContact OD1-OE2 3.45Å; N107-E109 VanDerWaalsContact OD1-OE2 3.13Å; N107-T110 PolarHBondContact N-OG1 3.02Å; N107-T110 VanDerWaalsContact N-OG1 3.09Å; N107-T110 PolarHBondContact O-N 3.37Å; N107-T110 PolarHBondContact O-OG1 3.29Å; N107-T110 WeakPolarHBondContact OD1-CG2 3.35Å; N107-T110 PolarHBondContact OD1-N 3.46Å; N107-T110 PolarHBondContact OD1-OG1 3.47Å; N107-L111 PolarHBondContact O-N 3.34Å
108P96Very high95.6Very high47 Ų4759.8 Ų59.831%0.30529%0.294SS..Hα-helixtrans-50.3-40.2177.5-30.339.5000113.3L111 E112 V124 I126P108-L111 PolarHBondContact O-N 2.87Å; P108-E112 WeakPolarHBondContact O-CB 3.36Å; P108-E112 PolarHBondContact O-N 3.49Å; P108-V124 HydrophobicContact CB-CB 4.02Å; P108-V124 HydrophobicContact CB-CG1 4.14Å; P108-I126 HydrophobicContact CG-CD1 4.33Å; P108-I126 HydrophobicContact CG-CG1 4.49Å
109E97.3Very high95.7Very high114 Ų11459.5 Ų59.553%0.53330%0.298SS..Hα-helixtrans-64.8-42.8-177.7-58.876.4-169.100112.1N107 L111 E112 E113N107-E109 WeakPolarHBondContact CB-OE2 3.43Å; N107-E109 PolarHBondContact O-N 3.24Å; N107-E109 PolarHBondContact OD1-N 3.16Å; N107-E109 PolarHBondContact OD1-OE2 3.45Å; N107-E109 VanDerWaalsContact OD1-OE2 3.13Å; E109-L111 VanDerWaalsContact C-N 3.31Å; E109-L111 PolarHBondContact O-N 2.83Å; E109-E112 PolarHBondContact O-N 2.88Å; E109-E113 WeakPolarHBondContact O-CB 3Å; E109-E113 PolarHBondContact O-N 3.45Å
110T96.6Very high95.8Very high24 Ų2464 Ų6415%0.14732%0.323CS..Hα-helixtrans-60.9-40.3177.462.60000112.1H106 N107 Y114H106-T110 WeakPolarHBondContact CA-OG1 3.09Å; H106-T110 WeakPolarHBondContact CB-OG1 3.08Å; N107-T110 PolarHBondContact N-OG1 3.02Å; N107-T110 VanDerWaalsContact N-OG1 3.09Å; N107-T110 PolarHBondContact O-N 3.37Å; N107-T110 PolarHBondContact O-OG1 3.29Å; N107-T110 WeakPolarHBondContact OD1-CG2 3.35Å; N107-T110 PolarHBondContact OD1-N 3.46Å; N107-T110 PolarHBondContact OD1-OG1 3.47Å; T110-Y114 WeakPolarHBondContact O-CB 3.44Å; T110-Y114 PolarHBondContact O-N 3.09Å; T110-Y114 VanDerWaalsContact O-N 3.12Å
111L97.7Very high96Very high0 Ų057.8 Ų57.80%030%0.3CS..Hα-helixtrans-75.3-40.3179.8-63176.8000110.2I102 H106 N107 P108 E109 Y114 F115 V124 I126 A139 V166I102-L111 HydrophobicContact CD1-CD1 4.49Å; I102-L111 HydrophobicContact CG2-CD1 4.3Å; I102-L111 HydrophobicContact CG2-CD2 3.99Å; H106-L111 HydrophobicContact CB-CD2 4.34Å; H106-L111 HydrophobicContact CB-CG 4.4Å; N107-L111 PolarHBondContact O-N 3.34Å; P108-L111 PolarHBondContact O-N 2.87Å; E109-L111 VanDerWaalsContact C-N 3.31Å; E109-L111 PolarHBondContact O-N 2.83Å; L111-Y114 PolarHBondContact O-N 3.32Å; L111-F115 HydrophobicContact CB-CD2 4.32Å; L111-F115 HydrophobicContact CD2-CE2 4.27Å; L111-F115 WeakPolarHBondContact O-CB 3.09Å; L111-F115 WeakPolarHBondContact O-CD2 3.25Å; L111-F115 PolarHBondContact O-N 3.18Å; L111-V124 HydrophobicContact CB-CG1 3.89Å; L111-V124 HydrophobicContact CD1-CG1 3.8Å; L111-V124 HydrophobicContact CG-CG1 4.46Å; L111-I126 HydrophobicContact CD1-CD1 4.34Å; L111-I126 HydrophobicContact CD1-CG1 4.12Å; L111-A139 HydrophobicContact CD1-CB 3.58Å; L111-V166 HydrophobicContact CD2-CG1 4.26Å
112E98.2Very high96.2Very high87 Ų8759.8 Ų59.841%0.40730%0.304SS..Hα-helixtrans-58.5-51.6174.7-179.1175179.200111P108 E109 Y114 F115 S116 V121 V124P108-E112 WeakPolarHBondContact O-CB 3.36Å; P108-E112 PolarHBondContact O-N 3.49Å; E109-E112 PolarHBondContact O-N 2.88Å; E112-Y114 VanDerWaalsContact C-N 3.31Å; E112-Y114 PolarHBondContact O-N 2.98Å; E112-F115 PolarHBondContact O-N 3.13Å; E112-S116 VanDerWaalsContact O-CB 3.24Å; E112-S116 WeakPolarHBondContact O-CB 3.39Å; E112-S116 PolarHBondContact O-N 3.36Å; E112-S116 PolarHBondContact O-OG 3.46Å; E112-V121 HydrophobicContact CB-CG1 4.35Å; E112-V121 HydrophobicContact CG-CB 4.04Å; E112-V121 HydrophobicContact CG-CG1 3.92Å; E112-V124 HydrophobicContact CB-CG2 3.91Å
113E97.9Very high96.3Very high158 Ų15863.7 Ų63.774%0.73832%0.322SS*.Hα-helixtrans-55.9-47.2177.1-177.4-180178.800111E109E109-E113 WeakPolarHBondContact O-CB 3Å; E109-E113 PolarHBondContact O-N 3.45Å
114Y98Very high96.6Very high28 Ų2863 Ų6311%0.1132%0.317CS..Hα-helixtrans-63.5-52.3178.8-175.8-90.5000112.3T110 L111 E112 S116 R117 F118 H164 V165 V166T110-Y114 WeakPolarHBondContact O-CB 3.44Å; T110-Y114 PolarHBondContact O-N 3.09Å; T110-Y114 VanDerWaalsContact O-N 3.12Å; L111-Y114 PolarHBondContact O-N 3.32Å; E112-Y114 VanDerWaalsContact C-N 3.31Å; E112-Y114 PolarHBondContact O-N 2.98Å; Y114-S116 VanDerWaalsContact C-N 3.32Å; Y114-S116 PolarHBondContact O-N 3.22Å; Y114-R117 VanDerWaalsContact CE2-CZ 3.41Å; Y114-R117 WeakPolarHBondContact O-CD 3.32Å; Y114-R117 VanDerWaalsContact O-CG 3.22Å; Y114-R117 WeakPolarHBondContact O-CG 3.26Å; Y114-R117 PolarHBondContact O-NE 3.14Å; Y114-F118 HydrophobicContact CE1-CE2 4.19Å; Y114-H164 HydrophobicContact CE1-CB 3.78Å; Y114-H164 AromaticContact CE1-CG 3.83Å; Y114-H164 AromaticContact CE1-ND1 3.51Å; Y114-H164 AromaticContact CZ-ND1 3.73Å; Y114-H164 WeakPolarHBondContact OH-CB 3.32Å; Y114-H164 PolarHBondContact OH-ND1 2.86Å; Y114-V165 WeakPolarHBondContact CE2-O 3.48Å; Y114-V166 HydrophobicContact CD1-CG2 3.59Å; Y114-V166 HydrophobicContact CD2-CB 4.28Å; Y114-V166 HydrophobicContact CD2-CG1 4.14Å; Y114-V166 HydrophobicContact CD2-CG2 3.85Å; Y114-V166 HydrophobicContact CE1-CG2 3.76Å; Y114-V166 HydrophobicContact CE2-CG2 4.02Å; Y114-V166 HydrophobicContact CG-CB 4.31Å; Y114-V166 HydrophobicContact CG-CG1 3.97Å; Y114-V166 HydrophobicContact CG-CG2 3.64Å
115F98.1Very high96.9Very high0 Ų058.9 Ų58.90%030%0.301CS..Hα-helixtrans-77.6-16.3-172.5-74.4-68.3000113.6I97 V99 L111 E112 R117 F118 V121 V141 F143 V173I97-F115 HydrophobicContact CD1-CD1 3.56Å; I97-F115 HydrophobicContact CD1-CD2 4.41Å; I97-F115 HydrophobicContact CD1-CE1 3.58Å; I97-F115 HydrophobicContact CD1-CE2 4.42Å; I97-F115 HydrophobicContact CD1-CG 4.02Å; I97-F115 HydrophobicContact CD1-CZ 4.04Å; V99-F115 HydrophobicContact CB-CE2 4.47Å; V99-F115 HydrophobicContact CB-CZ 4.48Å; V99-F115 HydrophobicContact CG1-CE2 3.98Å; V99-F115 HydrophobicContact CG1-CZ 3.87Å; V99-F115 HydrophobicContact CG2-CE2 3.68Å; V99-F115 HydrophobicContact CG2-CZ 3.73Å; L111-F115 HydrophobicContact CB-CD2 4.32Å; L111-F115 HydrophobicContact CD2-CE2 4.27Å; L111-F115 WeakPolarHBondContact O-CB 3.09Å; L111-F115 WeakPolarHBondContact O-CD2 3.25Å; L111-F115 PolarHBondContact O-N 3.18Å; E112-F115 PolarHBondContact O-N 3.13Å; F115-R117 PolarHBondContact O-N 3.03Å; F115-F118 AromaticContact CD1-CD2 3.84Å; F115-F118 HydrophobicContact CD1-CD2 3.84Å; F115-F118 AromaticContact CD1-CE2 3.8Å; F115-F118 HydrophobicContact CD1-CE2 3.8Å; F115-F118 HydrophobicContact CE1-CE2 4.29Å; F115-F118 WeakPolarHBondContact O-CD2 3.39Å; F115-F118 PolarHBondContact O-N 3.09Å; F115-V121 HydrophobicContact CB-CG2 4.13Å; F115-V141 HydrophobicContact CB-CG1 4.12Å; F115-V141 HydrophobicContact CD2-CG2 3.8Å; F115-V141 HydrophobicContact CE2-CG2 4.2Å; F115-V141 HydrophobicContact CG-CG1 4.45Å; F115-V141 HydrophobicContact CG-CG2 4.47Å; F115-F143 HydrophobicContact CB-CE1 4.36Å; F115-F143 HydrophobicContact CB-CZ 4.06Å; F115-V173 HydrophobicContact CE1-CG1 3.76Å; F115-V173 HydrophobicContact CZ-CG1 3.71Å
116S98.1Very high97.1Very high53 Ų5353.8 Ų53.837%0.37128%0.277SS..G310 helixtrans-57.6-21.6174.3-70.20000113.5E112 Y114 F118 G119E112-S116 VanDerWaalsContact O-CB 3.24Å; E112-S116 WeakPolarHBondContact O-CB 3.39Å; E112-S116 PolarHBondContact O-N 3.36Å; E112-S116 PolarHBondContact O-OG 3.46Å; Y114-S116 VanDerWaalsContact C-N 3.32Å; Y114-S116 PolarHBondContact O-N 3.22Å; S116-F118 PolarHBondContact O-N 3.3Å; S116-G119 CarbonylContact C-O 3.48Å; S116-G119 WeakPolarHBondContact CA-O 3.43Å; S116-G119 PolarHBondContact O-N 3.36Å; S116-G119 VanDerWaalsContact O-O 3.12Å
117R97.1Very high97Very high145 Ų14556.1 Ų56.155%0.54729%0.289SS..G310 helixtrans-62.4-20.7173.375.9-173.563.3-162.7-6.1114.3Y114 F115Y114-R117 VanDerWaalsContact CE2-CZ 3.41Å; Y114-R117 WeakPolarHBondContact O-CD 3.32Å; Y114-R117 VanDerWaalsContact O-CG 3.22Å; Y114-R117 WeakPolarHBondContact O-CG 3.26Å; Y114-R117 PolarHBondContact O-NE 3.14Å; F115-R117 PolarHBondContact O-N 3.03Å
118F96.8Very high96.8Very high14 Ų1456 Ų566%0.06129%0.291CS..G310 helixtrans-93.6-21.3179.7-57.6-65.4000112.9Y114 F115 S116 F143 P148 R151 A152 V155 H164Y114-F118 HydrophobicContact CE1-CE2 4.19Å; F115-F118 AromaticContact CD1-CD2 3.84Å; F115-F118 HydrophobicContact CD1-CD2 3.84Å; F115-F118 AromaticContact CD1-CE2 3.8Å; F115-F118 HydrophobicContact CD1-CE2 3.8Å; F115-F118 HydrophobicContact CE1-CE2 4.29Å; F115-F118 WeakPolarHBondContact O-CD2 3.39Å; F115-F118 PolarHBondContact O-N 3.09Å; S116-F118 PolarHBondContact O-N 3.3Å; F118-F143 HydrophobicContact CB-CE1 4.43Å; F118-F143 HydrophobicContact CB-CZ 4.48Å; F118-P148 HydrophobicContact CB-CB 4.15Å; F118-P148 WeakPolarHBondContact O-CB 3.4Å; F118-R151 HydrophobicContact CB-CB 4.32Å; F118-R151 HydrophobicContact CD1-CB 4Å; F118-R151 PolarHBondContact O-NH1 2.98Å; F118-A152 HydrophobicContact CD1-CB 4.37Å; F118-A152 HydrophobicContact CD2-CB 3.86Å; F118-A152 HydrophobicContact CE2-CB 4.13Å; F118-A152 HydrophobicContact CG-CB 3.99Å; F118-V155 HydrophobicContact CE1-CG2 3.44Å; F118-V155 VanDerWaalsContact CE1-CG2 3.44Å; F118-V155 HydrophobicContact CZ-CG2 3.78Å; F118-H164 AromaticContact CE2-CE1 3.77Å; F118-H164 AromaticContact CZ-CE1 3.42Å; F118-H164 VanDerWaalsContact CZ-CE1 3.42Å; F118-H164 WeakPolarHBondContact CZ-CE1 3.24Å; F118-H164 AromaticContact CZ-ND1 3.86Å
119G97.1Very high96.4Very high21 Ų2156.5 Ų56.522%0.21629%0.291CS..SBendtrans158.9-178.1-178.400000111S116 V121S116-G119 CarbonylContact C-O 3.48Å; S116-G119 WeakPolarHBondContact CA-O 3.43Å; S116-G119 PolarHBondContact O-N 3.36Å; S116-G119 VanDerWaalsContact O-O 3.12Å; G119-V121 PolarHBondContact O-N 2.68Å
120N98.1Very high95.8Very high95 Ų9557.2 Ų57.251%0.50831%0.305SS..  trans-72.7116.9-174.8179.240.9000111.3F143 D144N120-F143 VanDerWaalsContact O-CA 3.28Å; N120-F143 WeakPolarHBondContact O-CA 3.14Å; N120-D144 VanDerWaalsContact CB-OD2 3.32Å; N120-D144 WeakPolarHBondContact CB-OD2 3.19Å; N120-D144 PolarHBondContact ND2-OD2 2.77Å; N120-D144 PolarHBondContact O-N 3.38Å
121V98.6Very high95.5Very high8 Ų860.6 Ų60.65%0.04834%0.336CS..EExtended strand (participates in β ladder)trans-83132177.4174.70000108.6E112 F115 G119 V124 V141 C142 F143E112-V121 HydrophobicContact CB-CG1 4.35Å; E112-V121 HydrophobicContact CG-CB 4.04Å; E112-V121 HydrophobicContact CG-CG1 3.92Å; F115-V121 HydrophobicContact CB-CG2 4.13Å; G119-V121 PolarHBondContact O-N 2.68Å; V121-V124 HydrophobicContact CG1-CG2 3.76Å; V121-V141 HydrophobicContact CG1-CG1 3.83Å; V121-V141 HydrophobicContact CG2-CG1 4.02Å; V121-C142 CarbonylContact C-O 3.54Å; V121-C142 WeakPolarHBondContact CA-O 3.38Å; V121-F143 HydrophobicContact CG2-CD1 3.9Å; V121-F143 HydrophobicContact CG2-CE1 3.59Å; V121-F143 HydrophobicContact CG2-CZ 4.42Å
122T98.2Very high95.1Very high82 Ų8265.3 Ų65.350%0.50337%0.365SS..EExtended strand (participates in β ladder)trans-106.3-26.3-179.2520000113.2C142 D144T122-C142 PolarHBondContact N-O 2.81Å; T122-C142 WeakPolarHBondContact OG1-CB 3.49Å; T122-C142 PolarHBondContact OG1-O 2.88Å; T122-D144 HydrophobicContact CG2-CB 3.76Å
123E98Very high94.5Very high94 Ų9463.8 Ų63.844%0.43937%0.372SS..EExtended strand (participates in β ladder)trans-159.4140-178.7179.4-169.7-158.300110R96 T125 C142R96-E123 IonicContact NH2-OE2 3.93Å; R96-E123 PolarHBondContact NH2-OE2 3.14Å; R96-E123 VanDerWaalsContact NH2-OE2 3.16Å; E123-T125 PolarHBondContact OE1-OG1 2.87Å; E123-C142 HydrophobicContact CB-CB 3.87Å; E123-C142 PolarHBondContact N-O 3.23Å; E123-C142 PolarHBondContact O-N 2.91Å; E123-C142 PolarHBondContact OE2-SG 2.77Å
124V98Very high93.9Very high20 Ų2063.7 Ų63.712%0.12137%0.369CS..EExtended strand (participates in β ladder)trans-123.1121.6166.4-179.70000109.7P108 L111 E112 V121 V141P108-V124 HydrophobicContact CB-CB 4.02Å; P108-V124 HydrophobicContact CB-CG1 4.14Å; L111-V124 HydrophobicContact CB-CG1 3.89Å; L111-V124 HydrophobicContact CD1-CG1 3.8Å; L111-V124 HydrophobicContact CG-CG1 4.46Å; E112-V124 HydrophobicContact CB-CG2 3.91Å; V121-V124 HydrophobicContact CG1-CG2 3.76Å; V124-V141 HydrophobicContact CG1-CG2 4.22Å; V124-V141 HydrophobicContact CG2-CG1 4.23Å; V124-V141 HydrophobicContact CG2-CG2 4.14Å
125T95.5Very high93.4Very high43 Ų4367.8 Ų67.826%0.26439%0.385SS..EExtended strand (participates in β ladder)trans-113.8109.5176.8-42.40000110.4E123 M127 A139 V140E123-T125 PolarHBondContact OE1-OG1 2.87Å; T125-M127 HydrophobicContact CG2-CE 4.03Å; T125-A139 CarbonylContact O-C 3.57Å; T125-A139 WeakPolarHBondContact O-CA 3.49Å; T125-A139 WeakPolarHBondContact O-CB 3.43Å; T125-V140 PolarHBondContact N-O 3.37Å; T125-V140 PolarHBondContact O-N 3.04Å
126I95.4Very high92.9Very high29 Ų2974.8 Ų74.815%0.14941%0.411CS..EExtended strand (participates in β ladder)trans-80.3129.4168.8-66.2-178.3000109.2I102 H106 P108 L111 R135 A139I102-I126 HydrophobicContact CD1-CD1 4.44Å; I102-I126 HydrophobicContact CD1-CG1 4.17Å; I102-I126 HydrophobicContact CD1-CG2 3.99Å; H106-I126 VanDerWaalsContact O-CD1 3.27Å; H106-I126 WeakPolarHBondContact O-CD1 3.46Å; P108-I126 HydrophobicContact CG-CD1 4.33Å; P108-I126 HydrophobicContact CG-CG1 4.49Å; L111-I126 HydrophobicContact CD1-CD1 4.34Å; L111-I126 HydrophobicContact CD1-CG1 4.12Å; I126-R135 HydrophobicContact CG2-CG 4.4Å; I126-A139 HydrophobicContact CG1-CB 4.22Å
127M92.4Very high92.6Very high50 Ų5073.7 Ų73.725%0.24641%0.408CS..EExtended strand (participates in β ladder)trans-93.3123.8-171-65.7-91.7-17900110.5T125 R136 Y138 V140T125-M127 HydrophobicContact CG2-CE 4.03Å; M127-R136 PolarHBondContact O-N 3.41Å; M127-Y138 HydrophobicContact CB-CD2 3.59Å; M127-Y138 HydrophobicContact CB-CE1 4.19Å; M127-Y138 HydrophobicContact CB-CE2 3.16Å; M127-Y138 HydrophobicContact CB-CG 4.27Å; M127-Y138 VanDerWaalsContact CB-CZ 3.47Å; M127-Y138 WeakPolarHBondContact CB-O 3.42Å; M127-Y138 HydrophobicContact CG-CD2 3.62Å; M127-Y138 HydrophobicContact CG-CE2 3.19Å; M127-Y138 PolarHBondContact N-O 3.5Å; M127-Y138 HydrophobicContact SD-CE2 4.01Å; M127-V140 HydrophobicContact CE-CB 4.15Å; M127-V140 HydrophobicContact CE-CG2 3.57Å
128V90.4Very high92.5Very high65 Ų6568.6 Ų68.639%0.39439%0.389SS..EExtended strand (participates in β ladder)trans-118.4145-174.5-174.10000108.7P130 G133 R135V128-P130 WeakPolarHBondContact O-CD 3.39Å; V128-G133 VanDerWaalsContact CG1-CA 3.44Å; V128-G133 WeakPolarHBondContact CG1-O 3.38Å; V128-R135 HydrophobicContact CG2-CG 4.39Å
129D86.1Confident92.5Very high56 Ų5667.9 Ų67.930%0.29939%0.386SS..  trans-64120.3168.5-172.6-74.6000109.5A131 T132 G133 K134 R136D129-A131 PolarHBondContact O-N 2.68Å; D129-A131 WeakPolarHBondContact OD1-CA 3.3Å; D129-A131 WeakPolarHBondContact OD1-CB 3.5Å; D129-A131 PolarHBondContact OD1-N 2.77Å; D129-T132 PolarHBondContact OD1-N 3.11Å; D129-G133 VanDerWaalsContact O-CA 3.31Å; D129-G133 WeakPolarHBondContact O-CA 3.38Å; D129-G133 PolarHBondContact O-N 3.17Å; D129-K134 WeakPolarHBondContact CB-O 3.42Å; D129-K134 PolarHBondContact N-O 3.11Å; D129-R136 HydrophobicContact CB-CG 4.48Å
130P86.1Confident92.5Very high130 Ų13067 Ų6784%0.84438%0.376SS*.THydrogen-bonded Turntrans-64.9-26.9-176.6-22.133.4000114.1V128V128-P130 WeakPolarHBondContact O-CD 3.39Å
131A88.8Confident92.4Very high95 Ų9562.4 Ų62.479%0.78535%0.352SS*.THydrogen-bonded Turntrans-84.6-38.7-176.900000111.7D129D129-A131 PolarHBondContact O-N 2.68Å; D129-A131 WeakPolarHBondContact OD1-CA 3.3Å; D129-A131 WeakPolarHBondContact OD1-CB 3.5Å; D129-A131 PolarHBondContact OD1-N 2.77Å
132T90.3Very high92.4Very high99 Ų9962.2 Ų62.261%0.60735%0.35SS*.THydrogen-bonded Turntrans-107.3-9.2-174.679.50000114.3D129 K134D129-T132 PolarHBondContact OD1-N 3.11Å; T132-K134 PolarHBondContact O-N 3.06Å; T132-K134 VanDerWaalsContact O-N 3.14Å; T132-K134 WeakPolarHBondContact OG1-CB 3.26Å; T132-K134 PolarHBondContact OG1-N 3.43Å
133G85.3Confident92.4Very high55 Ų5558.3 Ų58.357%0.56733%0.326SS*.  trans65.811.1-172.200000113.8V128 D129V128-G133 VanDerWaalsContact CG1-CA 3.44Å; V128-G133 WeakPolarHBondContact CG1-O 3.38Å; D129-G133 VanDerWaalsContact O-CA 3.31Å; D129-G133 WeakPolarHBondContact O-CA 3.38Å; D129-G133 PolarHBondContact O-N 3.17Å
134K86.4Confident92.3Very high155 Ų15558.4 Ų58.467%0.67433%0.33SS*.  trans-84.4131-176.4-172.9178.1178.5179.30110.2D129 T132 R136D129-K134 WeakPolarHBondContact CB-O 3.42Å; D129-K134 PolarHBondContact N-O 3.11Å; T132-K134 PolarHBondContact O-N 3.06Å; T132-K134 VanDerWaalsContact O-N 3.14Å; T132-K134 WeakPolarHBondContact OG1-CB 3.26Å; T132-K134 PolarHBondContact OG1-N 3.43Å; K134-R136 PolarHBondContact O-N 3.44Å
135R86.2Confident92.3Very high114 Ų11459.5 Ų59.543%0.4334%0.335SS..EExtended strand (participates in β ladder)trans-61.8135.5175-56.4-171.6-146179.113.4110.4H104 H106 I126 V128 G137H104-R135 PolarHBondContact O-NH1 2.88Å; H104-R135 PolarHBondContact O-NH2 3.39Å; H106-R135 PolarHBondContact O-NH1 2.82Å; I126-R135 HydrophobicContact CG2-CG 4.4Å; V128-R135 HydrophobicContact CG2-CG 4.39Å; R135-G137 VanDerWaalsContact C-N 3.31Å; R135-G137 PolarHBondContact O-N 3.26Å
136R87.8Confident92.2Very high148 Ų14859.9 Ų59.956%0.55833%0.332SS*.EExtended strand (participates in β ladder)trans-87.63.3-177.7-62.7-179.863-176.9-5.5113.8M127 D129 K134 Y138M127-R136 PolarHBondContact O-N 3.41Å; D129-R136 HydrophobicContact CB-CG 4.48Å; K134-R136 PolarHBondContact O-N 3.44Å; R136-Y138 HydrophobicContact CB-CD1 3.67Å; R136-Y138 HydrophobicContact CB-CE1 3.35Å; R136-Y138 HydrophobicContact CG-CE1 4.22Å; R136-Y138 PolarHBondContact NE-OH 3.15Å; R136-Y138 PolarHBondContact NH1-OH 2.96Å
137G92.7Very high92.3Very high29 Ų2958.8 Ų58.830%0.29933%0.327SS..EExtended strand (participates in β ladder)trans75.421.1-18000000114.3G101 I102 R135G101-G137 PolarHBondContact N-O 3.23Å; I102-G137 VanDerWaalsContact CG1-C 3.47Å; I102-G137 PolarHBondContact N-O 3.42Å; R135-G137 VanDerWaalsContact C-N 3.31Å; R135-G137 PolarHBondContact O-N 3.26Å
138Y94.9Very high92.5Very high38 Ų3856.7 Ų56.715%0.14932%0.317CS..EExtended strand (participates in β ladder)trans-145.1159.9172.769.5-94.4000112.9F98 V99 I102 M127 R136F98-Y138 HydrophobicContact CD2-CD2 4.08Å; F98-Y138 HydrophobicContact CE1-CD2 4.28Å; F98-Y138 HydrophobicContact CE1-CG 4.23Å; F98-Y138 AromaticContact CE2-CD2 3.06Å; F98-Y138 HydrophobicContact CE2-CD2 3.06Å; F98-Y138 AromaticContact CE2-CE2 3.36Å; F98-Y138 HydrophobicContact CE2-CE2 3.36Å; F98-Y138 AromaticContact CE2-CG 3.8Å; F98-Y138 HydrophobicContact CE2-CG 3.8Å; F98-Y138 HydrophobicContact CZ-CD1 4.03Å; F98-Y138 AromaticContact CZ-CD2 3.17Å; F98-Y138 HydrophobicContact CZ-CD2 3.17Å; F98-Y138 HydrophobicContact CZ-CE1 4.44Å; F98-Y138 AromaticContact CZ-CE2 3.66Å; F98-Y138 HydrophobicContact CZ-CE2 3.66Å; F98-Y138 AromaticContact CZ-CG 3.38Å; F98-Y138 HydrophobicContact CZ-CG 3.38Å; V99-Y138 CarbonylContact O-C 3.51Å; V99-Y138 WeakPolarHBondContact O-CA 3.37Å; V99-Y138 WeakPolarHBondContact O-CB 3.32Å; I102-Y138 VanDerWaalsContact CD1-C 3.48Å; I102-Y138 WeakPolarHBondContact CD1-O 3.3Å; M127-Y138 HydrophobicContact CB-CD2 3.59Å; M127-Y138 HydrophobicContact CB-CE1 4.19Å; M127-Y138 HydrophobicContact CB-CE2 3.16Å; M127-Y138 HydrophobicContact CB-CG 4.27Å; M127-Y138 VanDerWaalsContact CB-CZ 3.47Å; M127-Y138 WeakPolarHBondContact CB-O 3.42Å; M127-Y138 HydrophobicContact CG-CD2 3.62Å; M127-Y138 HydrophobicContact CG-CE2 3.19Å; M127-Y138 PolarHBondContact N-O 3.5Å; M127-Y138 HydrophobicContact SD-CE2 4.01Å; R136-Y138 HydrophobicContact CB-CD1 3.67Å; R136-Y138 HydrophobicContact CB-CE1 3.35Å; R136-Y138 HydrophobicContact CG-CE1 4.22Å; R136-Y138 PolarHBondContact NE-OH 3.15Å; R136-Y138 PolarHBondContact NH1-OH 2.96Å
139A96.2Very high92.7Very high0 Ų053.7 Ų53.70%030%0.298CS..EExtended strand (participates in β ladder)trans-134.7166.1175.900000111.3V99 I102 L111 T125 I126V99-A139 HydrophobicContact CB-CB 4.47Å; V99-A139 PolarHBondContact N-O 3.13Å; V99-A139 PolarHBondContact O-N 2.92Å; I102-A139 HydrophobicContact CD1-CB 3.89Å; L111-A139 HydrophobicContact CD1-CB 3.58Å; T125-A139 CarbonylContact O-C 3.57Å; T125-A139 WeakPolarHBondContact O-CA 3.49Å; T125-A139 WeakPolarHBondContact O-CB 3.43Å; I126-A139 HydrophobicContact CG1-CB 4.22Å
140V96.3Very high93.1Very high1 Ų151.1 Ų51.11%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-115.7132.8164.8175.40000107.7R96 I97 F98 T125 M127 F176R96-V140 HydrophobicContact CB-CG1 4.29Å; I97-V140 WeakPolarHBondContact O-CA 3.44Å; F98-V140 HydrophobicContact CD2-CG2 4.1Å; T125-V140 PolarHBondContact N-O 3.37Å; T125-V140 PolarHBondContact O-N 3.04Å; M127-V140 HydrophobicContact CE-CB 4.15Å; M127-V140 HydrophobicContact CE-CG2 3.57Å; V140-F176 HydrophobicContact CG1-CD1 4.44Å; V140-F176 HydrophobicContact CG1-CD2 4.49Å; V140-F176 HydrophobicContact CG1-CG 4.32Å; V140-F176 HydrophobicContact CG2-CD2 3.69Å; V140-F176 HydrophobicContact CG2-CE2 3.53Å; V140-F176 HydrophobicContact CG2-CG 4.33Å; V140-F176 HydrophobicContact CG2-CZ 4.04Å
141V97.8Very high93.4Very high0 Ų049.5 Ų49.50%026%0.262CS..EExtended strand (participates in β ladder)trans-116.5129.4173.3178.20000107.9R96 I97 V99 F115 V121 V124 F143R96-V141 CarbonylContact C-O 3.53Å; R96-V141 VanDerWaalsContact CA-O 3.3Å; R96-V141 WeakPolarHBondContact CA-O 2.96Å; I97-V141 HydrophobicContact CD1-CB 3.98Å; I97-V141 HydrophobicContact CD1-CG1 4.47Å; I97-V141 HydrophobicContact CD1-CG2 4.45Å; I97-V141 HydrophobicContact CG1-CB 3.64Å; I97-V141 HydrophobicContact CG1-CG1 4.42Å; I97-V141 HydrophobicContact CG1-CG2 4.4Å; I97-V141 PolarHBondContact N-O 3.17Å; I97-V141 PolarHBondContact O-N 3.32Å; V99-V141 HydrophobicContact CG2-CG2 3.88Å; F115-V141 HydrophobicContact CB-CG1 4.12Å; F115-V141 HydrophobicContact CD2-CG2 3.8Å; F115-V141 HydrophobicContact CE2-CG2 4.2Å; F115-V141 HydrophobicContact CG-CG1 4.45Å; F115-V141 HydrophobicContact CG-CG2 4.47Å; V121-V141 HydrophobicContact CG1-CG1 3.83Å; V121-V141 HydrophobicContact CG2-CG1 4.02Å; V124-V141 HydrophobicContact CG1-CG2 4.22Å; V124-V141 HydrophobicContact CG2-CG1 4.23Å; V124-V141 HydrophobicContact CG2-CG2 4.14Å; V141-F143 HydrophobicContact CG1-CE2 4.24Å; V141-F143 HydrophobicContact CG1-CZ 4.15Å
142C97.5Very high93.7Very high3 Ų345 Ų452%0.0222%0.224CC..EExtended strand (participates in β ladder)trans-105.8137179-520000109.2N95 R96 V121 T122 E123N95-C142 CarbonylContact O-C 3.53Å; N95-C142 WeakPolarHBondContact O-CA 3.49Å; R96-C142 HydrophobicContact CG-CB 4.36Å; R96-C142 VanDerWaalsContact CZ-SG 3.59Å; R96-C142 PolarHBondContact NE-SG 2.9Å; R96-C142 PolarHBondContact NH2-SG 2.82Å; V121-C142 CarbonylContact C-O 3.54Å; V121-C142 WeakPolarHBondContact CA-O 3.38Å; T122-C142 PolarHBondContact N-O 2.81Å; T122-C142 WeakPolarHBondContact OG1-CB 3.49Å; T122-C142 PolarHBondContact OG1-O 2.88Å; E123-C142 HydrophobicContact CB-CB 3.87Å; E123-C142 PolarHBondContact N-O 3.23Å; E123-C142 PolarHBondContact O-N 2.91Å; E123-C142 PolarHBondContact OE2-SG 2.77Å
143F98.2Very high93.8Very high0 Ų040.3 Ų40.30%020%0.196CC..EExtended strand (participates in β ladder)trans-110.4165171.2-61.3-83.8000109.6N95 I97 F115 F118 N120 V121 V141 D145 P148 V149N95-F143 WeakPolarHBondContact CB-O 3.33Å; N95-F143 PolarHBondContact ND2-O 3.05Å; N95-F143 PolarHBondContact O-N 3.16Å; I97-F143 HydrophobicContact CD1-CE2 3.89Å; I97-F143 HydrophobicContact CD1-CZ 4.16Å; I97-F143 HydrophobicContact CG1-CE2 3.96Å; I97-F143 HydrophobicContact CG2-CE2 4.32Å; F115-F143 HydrophobicContact CB-CE1 4.36Å; F115-F143 HydrophobicContact CB-CZ 4.06Å; F118-F143 HydrophobicContact CB-CE1 4.43Å; F118-F143 HydrophobicContact CB-CZ 4.48Å; N120-F143 VanDerWaalsContact O-CA 3.28Å; N120-F143 WeakPolarHBondContact O-CA 3.14Å; V121-F143 HydrophobicContact CG2-CD1 3.9Å; V121-F143 HydrophobicContact CG2-CE1 3.59Å; V121-F143 HydrophobicContact CG2-CZ 4.42Å; V141-F143 HydrophobicContact CG1-CE2 4.24Å; V141-F143 HydrophobicContact CG1-CZ 4.15Å; F143-D145 VanDerWaalsContact C-N 3.26Å; F143-D145 VanDerWaalsContact CB-O 3.31Å; F143-D145 WeakPolarHBondContact CB-O 3.19Å; F143-P148 HydrophobicContact CB-CB 4.09Å; F143-P148 HydrophobicContact CB-CG 4.15Å; F143-P148 HydrophobicContact CD1-CB 3.44Å; F143-P148 VanDerWaalsContact CD1-CB 3.44Å; F143-P148 HydrophobicContact CD1-CG 4.05Å; F143-P148 HydrophobicContact CD2-CB 3.94Å; F143-P148 HydrophobicContact CE1-CB 3.71Å; F143-P148 HydrophobicContact CE2-CB 4.17Å; F143-P148 HydrophobicContact CG-CB 3.55Å; F143-P148 HydrophobicContact CG-CG 4.13Å; F143-P148 HydrophobicContact CZ-CB 4.07Å; F143-V149 HydrophobicContact CD2-CG2 3.81Å; F143-V149 HydrophobicContact CE2-CG2 4.23Å
144D96.7Very high94.1Very high97 Ų9738.3 Ų38.352%0.51917%0.171SC..SBendtrans-76.8-14.617061.6-3.4000113.3N120 T122N120-D144 VanDerWaalsContact CB-OD2 3.32Å; N120-D144 WeakPolarHBondContact CB-OD2 3.19Å; N120-D144 PolarHBondContact ND2-OD2 2.77Å; N120-D144 PolarHBondContact O-N 3.38Å; T122-D144 HydrophobicContact CG2-CB 3.76Å
145D96.5Very high94.2Very high42 Ų4232.8 Ų32.823%0.22515%0.151CC..SBendtrans-134.6163.4179.7-176.624.2000111.7R65 N95 F143 D147 P148R65-D145 IonicContact CZ-OD1 2.87Å; R65-D145 IonicContact CZ-OD2 3.14Å; R65-D145 IonicContact NH1-OD1 3.16Å; R65-D145 PolarHBondContact NH1-OD1 2.97Å; R65-D145 IonicContact NH1-OD2 3.79Å; R65-D145 PolarHBondContact NH1-OD2 2.99Å; R65-D145 VanDerWaalsContact NH1-OD2 3.14Å; R65-D145 IonicContact NH2-OD1 3.83Å; R65-D145 IonicContact NH2-OD2 3.72Å; R65-D145 PolarHBondContact NH2-OD2 3.06Å; N95-D145 WeakPolarHBondContact CA-O 3.12Å; N95-D145 WeakPolarHBondContact CB-O 3.25Å; F143-D145 VanDerWaalsContact C-N 3.26Å; F143-D145 VanDerWaalsContact CB-O 3.31Å; F143-D145 WeakPolarHBondContact CB-O 3.19Å; D145-D147 WeakPolarHBondContact OD2-CB 3.4Å; D145-D147 PolarHBondContact OD2-N 2.87Å; D145-P148 HydrophobicContact CB-CG 4.42Å; D145-P148 WeakPolarHBondContact O-CD 3.31Å
146Y94.6Very high94.2Very high52 Ų5228.2 Ų28.220%0.20413%0.134CC..SBendtrans-86.8-17.5173.563.9-98.5000113.8M62 R65 P76 R77 A93 T94 V149M62-Y146 HydrophobicContact CE-CE2 4.03Å; R65-Y146 WeakPolarHBondContact CD-OH 3.47Å; R65-Y146 PolarHBondContact NH1-OH 3.3Å; P76-Y146 WeakPolarHBondContact O-CE2 3.16Å; P76-Y146 PolarHBondContact O-OH 3.26Å; P76-Y146 VanDerWaalsContact O-OH 3.13Å; R77-Y146 HydrophobicContact CG-CD2 4.33Å; R77-Y146 HydrophobicContact CG-CE2 3.9Å; A93-Y146 HydrophobicContact CB-CD1 4.36Å; A93-Y146 HydrophobicContact CB-CD2 4.45Å; A93-Y146 HydrophobicContact CB-CG 4.12Å; T94-Y146 WeakPolarHBondContact O-CA 3.29Å; T94-Y146 VanDerWaalsContact O-CB 3.26Å; T94-Y146 WeakPolarHBondContact O-CB 3.46Å; Y146-V149 WeakPolarHBondContact O-CB 3.32Å; Y146-V149 PolarHBondContact O-N 3.19Å
147D96.1Very high93.8Very high6 Ų623.2 Ų23.23%0.03212%0.122CC..Hα-helixtrans-60.4-44176.6-173.258.3000113.2M62 R78 D145 V149 D150 R151M62-D147 HydrophobicContact CE-CB 3.93Å; M62-D147 VanDerWaalsContact CE-OD1 3.25Å; M62-D147 WeakPolarHBondContact CE-OD1 3.33Å; R78-D147 WeakPolarHBondContact CD-OD1 3.42Å; R78-D147 WeakPolarHBondContact CG-OD1 3.34Å; R78-D147 IonicContact CZ-OD1 3.27Å; R78-D147 IonicContact CZ-OD2 3.58Å; R78-D147 IonicContact NE-OD1 2.68Å; R78-D147 PolarHBondContact NE-OD1 3.45Å; R78-D147 IonicContact NE-OD2 2.88Å; R78-D147 PolarHBondContact NE-OD2 2.62Å; R78-D147 IonicContact NH2-OD1 3.34Å; R78-D147 IonicContact NH2-OD2 2.73Å; R78-D147 PolarHBondContact NH2-OD2 2.68Å; D145-D147 WeakPolarHBondContact OD2-CB 3.4Å; D145-D147 PolarHBondContact OD2-N 2.87Å; D147-V149 PolarHBondContact O-N 2.88Å; D147-V149 VanDerWaalsContact O-N 3.14Å; D147-D150 PolarHBondContact O-N 3.02Å; D147-D150 VanDerWaalsContact O-N 3.09Å; D147-R151 WeakPolarHBondContact O-CG 3.49Å; D147-R151 PolarHBondContact O-N 2.76Å; D147-R151 VanDerWaalsContact OD2-CD 3.3Å; D147-R151 WeakPolarHBondContact OD2-CD 3.41Å
148P96.8Very high93.1Very high6 Ų627 Ų274%0.03913%0.134CC..Hα-helixtrans-56.5-31.9177.6-28.438.3000113.5F118 F143 D145 R151 A152F118-P148 HydrophobicContact CB-CB 4.15Å; F118-P148 WeakPolarHBondContact O-CB 3.4Å; F143-P148 HydrophobicContact CB-CB 4.09Å; F143-P148 HydrophobicContact CB-CG 4.15Å; F143-P148 HydrophobicContact CD1-CB 3.44Å; F143-P148 VanDerWaalsContact CD1-CB 3.44Å; F143-P148 HydrophobicContact CD1-CG 4.05Å; F143-P148 HydrophobicContact CD2-CB 3.94Å; F143-P148 HydrophobicContact CE1-CB 3.71Å; F143-P148 HydrophobicContact CE2-CB 4.17Å; F143-P148 HydrophobicContact CG-CB 3.55Å; F143-P148 HydrophobicContact CG-CG 4.13Å; F143-P148 HydrophobicContact CZ-CB 4.07Å; D145-P148 HydrophobicContact CB-CG 4.42Å; D145-P148 WeakPolarHBondContact O-CD 3.31Å; P148-R151 PolarHBondContact O-N 3.03Å; P148-A152 WeakPolarHBondContact O-CB 3.22Å; P148-A152 PolarHBondContact O-N 3.17Å
149V94.9Very high92.4Very high1 Ų127.6 Ų27.61%0.00614%0.142CC..Hα-helixtrans-63.5-50.1176.3172.70000111.2T94 I97 F143 Y146 D147 R151 A152 I153 K175T94-V149 HydrophobicContact CG2-CG1 3.99Å; T94-V149 WeakPolarHBondContact O-CG2 3.34Å; I97-V149 HydrophobicContact CG2-CB 4.12Å; I97-V149 HydrophobicContact CG2-CG1 3.75Å; I97-V149 HydrophobicContact CG2-CG2 4Å; F143-V149 HydrophobicContact CD2-CG2 3.81Å; F143-V149 HydrophobicContact CE2-CG2 4.23Å; Y146-V149 WeakPolarHBondContact O-CB 3.32Å; Y146-V149 PolarHBondContact O-N 3.19Å; D147-V149 PolarHBondContact O-N 2.88Å; D147-V149 VanDerWaalsContact O-N 3.14Å; V149-R151 VanDerWaalsContact C-N 3.3Å; V149-R151 PolarHBondContact O-N 2.86Å; V149-A152 PolarHBondContact O-N 2.84Å; V149-I153 HydrophobicContact CG1-CD1 3.85Å; V149-I153 WeakPolarHBondContact O-CG1 3.21Å; V149-I153 PolarHBondContact O-N 3.3Å; V149-K175 HydrophobicContact CG1-CG 3.99Å
150D93.8Very high91.7Very high3 Ų334.2 Ų34.22%0.01618%0.182CC..Hα-helixtrans-66.7-35.5178.6-71.1-23.8000110.8R78 D147 K154 K175R78-D150 HydrophobicContact CB-CB 3.99Å; D147-D150 PolarHBondContact O-N 3.02Å; D147-D150 VanDerWaalsContact O-N 3.09Å; D150-K154 WeakPolarHBondContact O-CB 3.02Å; D150-K154 PolarHBondContact O-N 3.01Å; D150-K175 WeakPolarHBondContact OD1-CE 3.31Å; D150-K175 IonicContact OD1-NZ 2.68Å; D150-K175 PolarHBondContact OD1-NZ 3.27Å
151R94.3Very high91Very high96 Ų9639.8 Ų39.836%0.36221%0.208SC..Hα-helixtrans-61.2-47.3173.7-68.6179.370-1723.8112.1F118 D147 P148 V149 K154 V155F118-R151 HydrophobicContact CB-CB 4.32Å; F118-R151 HydrophobicContact CD1-CB 4Å; F118-R151 PolarHBondContact O-NH1 2.98Å; D147-R151 WeakPolarHBondContact O-CG 3.49Å; D147-R151 PolarHBondContact O-N 2.76Å; D147-R151 VanDerWaalsContact OD2-CD 3.3Å; D147-R151 WeakPolarHBondContact OD2-CD 3.41Å; P148-R151 PolarHBondContact O-N 3.03Å; V149-R151 VanDerWaalsContact C-N 3.3Å; V149-R151 PolarHBondContact O-N 2.86Å; R151-K154 PolarHBondContact O-N 2.83Å; R151-V155 PolarHBondContact O-N 3.25Å
152A94.9Very high90.5Very high0 Ų045.1 Ų45.10%023%0.231CC..Hα-helixtrans-60.7-50178.200000111F118 P148 V149 K154 V155 H164 V173F118-A152 HydrophobicContact CD1-CB 4.37Å; F118-A152 HydrophobicContact CD2-CB 3.86Å; F118-A152 HydrophobicContact CE2-CB 4.13Å; F118-A152 HydrophobicContact CG-CB 3.99Å; P148-A152 WeakPolarHBondContact O-CB 3.22Å; P148-A152 PolarHBondContact O-N 3.17Å; V149-A152 PolarHBondContact O-N 2.84Å; A152-K154 VanDerWaalsContact C-N 3.27Å; A152-K154 PolarHBondContact O-N 3.5Å; A152-V155 WeakPolarHBondContact O-CB 3.46Å; A152-V155 PolarHBondContact O-N 2.8Å; A152-H164 PolarHBondContact O-CE1 2.65Å; A152-H164 PolarHBondContact O-NE2 2.86Å; A152-H164 VanDerWaalsContact O-NE2 3.11Å; A152-V173 HydrophobicContact CB-CG2 4.46Å
153I92.8Very high90.3Very high1 Ų147.4 Ų47.41%0.00524%0.24CC..Hα-helixtrans-62.1-36.5178.9-68.3168.2000111.8L80 V84 V149 V155 L156 V173 K175L80-I153 HydrophobicContact CD1-CG2 3.93Å; L80-I153 HydrophobicContact CD2-CG2 4.11Å; V84-I153 HydrophobicContact CG1-CG2 3.29Å; V149-I153 HydrophobicContact CG1-CD1 3.85Å; V149-I153 WeakPolarHBondContact O-CG1 3.21Å; V149-I153 PolarHBondContact O-N 3.3Å; I153-V155 PolarHBondContact O-N 2.86Å; I153-L156 VanDerWaalsContact O-CB 3.29Å; I153-L156 WeakPolarHBondContact O-CB 3.42Å; I153-L156 PolarHBondContact O-N 3.34Å; I153-V173 HydrophobicContact CG1-CG2 4.23Å; I153-K175 HydrophobicContact CD1-CB 4.32Å; I153-K175 HydrophobicContact CD1-CD 4.22Å; I153-K175 HydrophobicContact CD1-CG 3.25Å
154K89.6Confident90.1Very high13 Ų1347.5 Ų47.56%0.05724%0.24CC..Hα-helixtrans-66.3-26.1-179.6-166.4163.4-168.91540113.2H2 N3 A79 L80 D150 R151 A152 L156 C157 I158H2-K154 WeakPolarHBondContact O-CE 3.09Å; H2-K154 PolarHBondContact O-NZ 2.81Å; N3-K154 WeakPolarHBondContact OD1-CE 3.33Å; A79-K154 PolarHBondContact O-NZ 3.3Å; A79-K154 VanDerWaalsContact O-NZ 3.11Å; L80-K154 HydrophobicContact CD2-CB 4.12Å; D150-K154 WeakPolarHBondContact O-CB 3.02Å; D150-K154 PolarHBondContact O-N 3.01Å; R151-K154 PolarHBondContact O-N 2.83Å; A152-K154 VanDerWaalsContact C-N 3.27Å; A152-K154 PolarHBondContact O-N 3.5Å; K154-L156 PolarHBondContact O-N 3.17Å; K154-C157 WeakPolarHBondContact O-CB 3.42Å; K154-C157 PolarHBondContact O-N 3.04Å; K154-I158 HydrophobicContact CG-CD1 4.36Å; K154-I158 WeakPolarHBondContact O-CG1 3.49Å; K154-I158 PolarHBondContact O-N 3.05Å
155V89.4Confident90Very high39 Ų3946.3 Ų46.324%0.23624%0.236CC..Hα-helixtrans-57.3-42.2170.8174.60000110.5F118 R151 A152 I153 C157 I158 T159F118-V155 HydrophobicContact CE1-CG2 3.44Å; F118-V155 VanDerWaalsContact CE1-CG2 3.44Å; F118-V155 HydrophobicContact CZ-CG2 3.78Å; R151-V155 PolarHBondContact O-N 3.25Å; A152-V155 WeakPolarHBondContact O-CB 3.46Å; A152-V155 PolarHBondContact O-N 2.8Å; I153-V155 PolarHBondContact O-N 2.86Å; V155-C157 PolarHBondContact O-N 3.5Å; V155-C157 VanDerWaalsContact O-N 3.16Å; V155-I158 PolarHBondContact O-N 2.85Å; V155-I158 VanDerWaalsContact O-N 3.1Å; V155-T159 HydrophobicContact CG1-CG2 3.91Å; V155-T159 WeakPolarHBondContact O-CG2 3.44Å; V155-T159 PolarHBondContact O-N 3.37Å; V155-T159 PolarHBondContact O-OG1 2.83Å
156L86.1Confident90Very high17 Ų1744.3 Ų44.39%0.08923%0.226CC..Hα-helixtrans-62.6-24.6178.4-48.2-168.8000112.9I153 K154 K162 H164 V172 V173I153-L156 VanDerWaalsContact O-CB 3.29Å; I153-L156 WeakPolarHBondContact O-CB 3.42Å; I153-L156 PolarHBondContact O-N 3.34Å; K154-L156 PolarHBondContact O-N 3.17Å; L156-K162 WeakPolarHBondContact O-CG 3.17Å; L156-H164 VanDerWaalsContact CD2-CD2 3.46Å; L156-H164 WeakPolarHBondContact CD2-CD2 3.45Å; L156-V172 HydrophobicContact CD1-CG1 4.25Å; L156-V173 HydrophobicContact CD1-CG2 3.75Å; L156-V173 VanDerWaalsContact CD1-O 3.25Å; L156-V173 WeakPolarHBondContact CD1-O 3.36Å; L156-V173 HydrophobicContact CD2-CG2 4.26Å; L156-V173 HydrophobicContact CG-CG2 4.02Å
157C80.1Confident89.9Confident44 Ų4446.8 Ų46.830%0.29724%0.242SC..Hα-helixtrans-81-27.7179.5-53.20000112.4P81 V84 K154 V155P81-C157 VanDerWaalsContact CD-SG 3.58Å; P81-C157 HydrophobicContact CG-CB 4.04Å; V84-C157 WeakPolarHBondContact CG2-SG 3.28Å; K154-C157 WeakPolarHBondContact O-CB 3.42Å; K154-C157 PolarHBondContact O-N 3.04Å; V155-C157 PolarHBondContact O-N 3.5Å; V155-C157 VanDerWaalsContact O-N 3.16Å
158I78.6Confident89.6Confident107 Ų10755.2 Ų55.255%0.54928%0.282SS..Hα-helixtrans-91.2-33.3-176.8-60.7164.5000110.1N3 K154 V155N3-I158 WeakPolarHBondContact OD1-CD1 3.45Å; K154-I158 HydrophobicContact CG-CD1 4.36Å; K154-I158 WeakPolarHBondContact O-CG1 3.49Å; K154-I158 PolarHBondContact O-N 3.05Å; V155-I158 PolarHBondContact O-N 2.85Å; V155-I158 VanDerWaalsContact O-N 3.1Å
159T78.2Confident89.5Confident52 Ų5255.9 Ų55.932%0.31929%0.287SS..SBendtrans-77.9134.1178.161.50000110.5V155 Q161 K162V155-T159 HydrophobicContact CG1-CG2 3.91Å; V155-T159 WeakPolarHBondContact O-CG2 3.44Å; V155-T159 PolarHBondContact O-N 3.37Å; V155-T159 PolarHBondContact O-OG1 2.83Å; T159-Q161 PolarHBondContact O-N 3.02Å; T159-Q161 VanDerWaalsContact O-N 3.15Å; T159-K162 PolarHBondContact O-N 3.14Å; T159-K162 PolarHBondContact OG1-N 3.33Å
160V82Confident89.5Confident139 Ų13960.7 Ų60.784%0.84231%0.309SS*.THydrogen-bonded Turntrans-55.2-33.3172.9176.30000111.1
161Q82.5Confident89.6Confident118 Ų11860.5 Ų60.555%0.55131%0.309SS*.THydrogen-bonded Turntrans-88.5-7.1-171-68.3-62.1-25.500114.5T159 Y163T159-Q161 PolarHBondContact O-N 3.02Å; T159-Q161 VanDerWaalsContact O-N 3.15Å; Q161-Y163 HydrophobicContact CB-CD1 3.9Å; Q161-Y163 HydrophobicContact CB-CE1 3.42Å; Q161-Y163 VanDerWaalsContact CB-CE1 3.42Å; Q161-Y163 HydrophobicContact CB-CE2 4.06Å; Q161-Y163 HydrophobicContact CB-CG 4.42Å; Q161-Y163 VanDerWaalsContact CB-CZ 3.47Å; Q161-Y163 HydrophobicContact CG-CE1 4.1Å; Q161-Y163 WeakPolarHBondContact O-CD1 3.37Å; Q161-Y163 WeakPolarHBondContact O-CE1 3.45Å; Q161-Y163 PolarHBondContact O-N 2.81Å
162K87.5Confident89.6Confident112 Ų11259 Ų5949%0.48731%0.31SS..  trans49.629.9178.5-57.6-170.4172.9-173.90115.8L156 T159L156-K162 WeakPolarHBondContact O-CG 3.17Å; T159-K162 PolarHBondContact O-N 3.14Å; T159-K162 PolarHBondContact OG1-N 3.33Å
163Y92.6Very high89.5Confident50 Ų5059.3 Ų59.320%0.19631%0.312CS..SBendtrans-138.4163172.157.7-110.9000112.2Q161 V165 H170Q161-Y163 HydrophobicContact CB-CD1 3.9Å; Q161-Y163 HydrophobicContact CB-CE1 3.42Å; Q161-Y163 VanDerWaalsContact CB-CE1 3.42Å; Q161-Y163 HydrophobicContact CB-CE2 4.06Å; Q161-Y163 HydrophobicContact CB-CG 4.42Å; Q161-Y163 VanDerWaalsContact CB-CZ 3.47Å; Q161-Y163 HydrophobicContact CG-CE1 4.1Å; Q161-Y163 WeakPolarHBondContact O-CD1 3.37Å; Q161-Y163 WeakPolarHBondContact O-CE1 3.45Å; Q161-Y163 PolarHBondContact O-N 2.81Å; Y163-V165 HydrophobicContact CD2-CG2 3.92Å; Y163-V165 HydrophobicContact CE2-CG2 3.56Å; Y163-H170 HydrophobicContact CD1-CB 4.06Å; Y163-H170 HydrophobicContact CD2-CB 3.93Å; Y163-H170 AromaticContact CD2-CD2 3.89Å; Y163-H170 AromaticContact CD2-CG 3.83Å; Y163-H170 HydrophobicContact CE1-CB 4.32Å; Y163-H170 AromaticContact CE1-CE1 3.87Å; Y163-H170 AromaticContact CE1-CG 3.86Å; Y163-H170 AromaticContact CE1-ND1 3.49Å; Y163-H170 WeakPolarHBondContact CE1-ND1 3.49Å; Y163-H170 HydrophobicContact CE2-CB 4.24Å; Y163-H170 AromaticContact CE2-CD2 3.43Å; Y163-H170 VanDerWaalsContact CE2-CD2 3.43Å; Y163-H170 WeakPolarHBondContact CE2-CD2 3.39Å; Y163-H170 AromaticContact CE2-CE1 3.9Å; Y163-H170 AromaticContact CE2-CG 3.62Å; Y163-H170 AromaticContact CE2-ND1 3.91Å; Y163-H170 AromaticContact CE2-NE2 3.61Å; Y163-H170 HydrophobicContact CG-CB 3.87Å; Y163-H170 AromaticContact CZ-CD2 3.73Å; Y163-H170 AromaticContact CZ-CE1 3.37Å; Y163-H170 AromaticContact CZ-CG 3.65Å; Y163-H170 AromaticContact CZ-ND1 3.42Å; Y163-H170 AromaticContact CZ-NE2 3.56Å; Y163-H170 PolarHBondContact OH-CE1 2.92Å; Y163-H170 PolarHBondContact OH-NE2 3.12Å
164H94.7Very high89.5Confident2 Ų260.1 Ų60.11%0.00932%0.318CS..EExtended strand (participates in β ladder)trans-89.1141162.9-68.3-85.3000109.6Y114 F118 A152 L156 V166 H170 C171 V173Y114-H164 HydrophobicContact CE1-CB 3.78Å; Y114-H164 AromaticContact CE1-CG 3.83Å; Y114-H164 AromaticContact CE1-ND1 3.51Å; Y114-H164 AromaticContact CZ-ND1 3.73Å; Y114-H164 WeakPolarHBondContact OH-CB 3.32Å; Y114-H164 PolarHBondContact OH-ND1 2.86Å; F118-H164 AromaticContact CE2-CE1 3.77Å; F118-H164 AromaticContact CZ-CE1 3.42Å; F118-H164 VanDerWaalsContact CZ-CE1 3.42Å; F118-H164 WeakPolarHBondContact CZ-CE1 3.24Å; F118-H164 AromaticContact CZ-ND1 3.86Å; A152-H164 PolarHBondContact O-CE1 2.65Å; A152-H164 PolarHBondContact O-NE2 2.86Å; A152-H164 VanDerWaalsContact O-NE2 3.11Å; L156-H164 VanDerWaalsContact CD2-CD2 3.46Å; L156-H164 WeakPolarHBondContact CD2-CD2 3.45Å; H164-V166 HydrophobicContact CB-CG2 4.31Å; H164-H170 CarbonylContact O-C 3.48Å; H164-C171 HydrophobicContact CB-CB 4.35Å; H164-C171 WeakPolarHBondContact CB-O 3.34Å; H164-C171 PolarHBondContact N-O 3.36Å; H164-C171 PolarHBondContact O-N 3.04Å; H164-V173 WeakPolarHBondContact NE2-CG2 3.01Å
165V94.7Very high89.6Confident73 Ų7359.9 Ų59.944%0.44232%0.317SS..EExtended strand (participates in β ladder)trans-97.4110.5167.4-1770000107.7Y114 Y163 A169Y114-V165 WeakPolarHBondContact CE2-O 3.48Å; Y163-V165 HydrophobicContact CD2-CG2 3.92Å; Y163-V165 HydrophobicContact CE2-CG2 3.56Å; V165-A169 WeakPolarHBondContact CA-O 3.27Å
166V95.1Very high89.5Confident0 Ų060.2 Ų60.20%032%0.315CS..EExtended strand (participates in β ladder)trans-115.5117.7174.6-1700000106.4H106 L111 Y114 H164 Q168 A169 C171H106-V166 PolarHBondContact CE1-O 3.36Å; H106-V166 PolarHBondContact NE2-O 2.87Å; L111-V166 HydrophobicContact CD2-CG1 4.26Å; Y114-V166 HydrophobicContact CD1-CG2 3.59Å; Y114-V166 HydrophobicContact CD2-CB 4.28Å; Y114-V166 HydrophobicContact CD2-CG1 4.14Å; Y114-V166 HydrophobicContact CD2-CG2 3.85Å; Y114-V166 HydrophobicContact CE1-CG2 3.76Å; Y114-V166 HydrophobicContact CE2-CG2 4.02Å; Y114-V166 HydrophobicContact CG-CB 4.31Å; Y114-V166 HydrophobicContact CG-CG1 3.97Å; Y114-V166 HydrophobicContact CG-CG2 3.64Å; H164-V166 HydrophobicContact CB-CG2 4.31Å; V166-Q168 VanDerWaalsContact C-N 3.27Å; V166-Q168 PolarHBondContact O-N 3.42Å; V166-Q168 VanDerWaalsContact O-N 3.14Å; V166-A169 PolarHBondContact N-O 3.44Å; V166-A169 WeakPolarHBondContact O-CA 3.49Å; V166-A169 WeakPolarHBondContact O-CB 3.2Å; V166-A169 PolarHBondContact O-N 2.94Å; V166-C171 HydrophobicContact CG2-CB 4.06Å
167D93Very high89.1Confident103 Ų10360.1 Ų60.155%0.55132%0.315SS*.THydrogen-bonded Turntrans40.354.3-176.6-59.2-17.1000113.6H106 A169H106-D167 IonicContact CD2-OD2 2.71Å; D167-A169 PolarHBondContact O-N 3.49Å
168Q91Very high88.5Confident184 Ų18460.6 Ų60.686%0.8632%0.318SS*.THydrogen-bonded Turntrans68-10.8-178.1-49.1177.2-18.100116V166V166-Q168 VanDerWaalsContact C-N 3.27Å; V166-Q168 PolarHBondContact O-N 3.42Å; V166-Q168 VanDerWaalsContact O-N 3.14Å
169A94.4Very high87.5Confident19 Ų1965.6 Ų65.616%0.15733%0.33CS..EExtended strand (participates in β ladder)trans-82.6140.9174.900000111.7H106 V165 V166 D167 C171H106-A169 VanDerWaalsContact CE1-CB 3.49Å; H106-A169 WeakPolarHBondContact CE1-CB 3.4Å; V165-A169 WeakPolarHBondContact CA-O 3.27Å; V166-A169 PolarHBondContact N-O 3.44Å; V166-A169 WeakPolarHBondContact O-CA 3.49Å; V166-A169 WeakPolarHBondContact O-CB 3.2Å; V166-A169 PolarHBondContact O-N 2.94Å; D167-A169 PolarHBondContact O-N 3.49Å; A169-C171 PolarHBondContact O-N 3.34Å
170H94.8Very high86.4Confident102 Ų10269.5 Ų69.547%0.47235%0.345SS..EExtended strand (participates in β ladder)trans-87.4101.8176.9-63174.1000110.1Y163 H164Y163-H170 HydrophobicContact CD1-CB 4.06Å; Y163-H170 HydrophobicContact CD2-CB 3.93Å; Y163-H170 AromaticContact CD2-CD2 3.89Å; Y163-H170 AromaticContact CD2-CG 3.83Å; Y163-H170 HydrophobicContact CE1-CB 4.32Å; Y163-H170 AromaticContact CE1-CE1 3.87Å; Y163-H170 AromaticContact CE1-CG 3.86Å; Y163-H170 AromaticContact CE1-ND1 3.49Å; Y163-H170 WeakPolarHBondContact CE1-ND1 3.49Å; Y163-H170 HydrophobicContact CE2-CB 4.24Å; Y163-H170 AromaticContact CE2-CD2 3.43Å; Y163-H170 VanDerWaalsContact CE2-CD2 3.43Å; Y163-H170 WeakPolarHBondContact CE2-CD2 3.39Å; Y163-H170 AromaticContact CE2-CE1 3.9Å; Y163-H170 AromaticContact CE2-CG 3.62Å; Y163-H170 AromaticContact CE2-ND1 3.91Å; Y163-H170 AromaticContact CE2-NE2 3.61Å; Y163-H170 HydrophobicContact CG-CB 3.87Å; Y163-H170 AromaticContact CZ-CD2 3.73Å; Y163-H170 AromaticContact CZ-CE1 3.37Å; Y163-H170 AromaticContact CZ-CG 3.65Å; Y163-H170 AromaticContact CZ-ND1 3.42Å; Y163-H170 AromaticContact CZ-NE2 3.56Å; Y163-H170 PolarHBondContact OH-CE1 2.92Å; Y163-H170 PolarHBondContact OH-NE2 3.12Å; H164-H170 CarbonylContact O-C 3.48Å
171C95.6Very high85Confident0 Ų068.3 Ų68.30%033%0.325CS..EExtended strand (participates in β ladder)trans-100124.7-178.7-67.30000111V99 R100 H164 V166 A169V99-C171 HydrophobicContact CG1-CB 3.88Å; R100-C171 CarbonylContact O-C 3.56Å; R100-C171 WeakPolarHBondContact O-CA 3.44Å; H164-C171 HydrophobicContact CB-CB 4.35Å; H164-C171 WeakPolarHBondContact CB-O 3.34Å; H164-C171 PolarHBondContact N-O 3.36Å; H164-C171 PolarHBondContact O-N 3.04Å; V166-C171 HydrophobicContact CG2-CB 4.06Å; A169-C171 PolarHBondContact O-N 3.34Å
172V93.7Very high83.6Confident65 Ų6567.2 Ų67.239%0.39432%0.32SS..EExtended strand (participates in β ladder)trans-99.8136.4174.2-179.70000109.1R100 L156R100-V172 PolarHBondContact N-O 3.16Å; R100-V172 PolarHBondContact O-N 2.73Å; L156-V172 HydrophobicContact CD1-CG1 4.25Å
173V93.7Very high81.7Confident5 Ų570.8 Ų70.83%0.0333%0.33CS..EExtended strand (participates in β ladder)trans-114.1145.1179.4-58.70000113I97 F98 V99 F115 A152 I153 L156 H164I97-V173 HydrophobicContact CD1-CG1 4.2Å; F98-V173 CarbonylContact O-C 3.52Å; F98-V173 VanDerWaalsContact O-CA 3.26Å; F98-V173 WeakPolarHBondContact O-CA 3.4Å; V99-V173 HydrophobicContact CB-CG1 4.44Å; V99-V173 HydrophobicContact CG1-CG1 4.21Å; V99-V173 HydrophobicContact CG2-CG1 4.06Å; F115-V173 HydrophobicContact CE1-CG1 3.76Å; F115-V173 HydrophobicContact CZ-CG1 3.71Å; A152-V173 HydrophobicContact CB-CG2 4.46Å; I153-V173 HydrophobicContact CG1-CG2 4.23Å; L156-V173 HydrophobicContact CD1-CG2 3.75Å; L156-V173 VanDerWaalsContact CD1-O 3.25Å; L156-V173 WeakPolarHBondContact CD1-O 3.36Å; L156-V173 HydrophobicContact CD2-CG2 4.26Å; L156-V173 HydrophobicContact CG-CG2 4.02Å; H164-V173 WeakPolarHBondContact NE2-CG2 3.01Å
174S92.3Very high79.7Confident19 Ų1975 Ų7513%0.13335%0.35CS..EExtended strand (participates in β ladder)trans-139.3162.3170.665.30000110.8I97 F98 F176I97-S174 CarbonylContact C-O 3.55Å; I97-S174 WeakPolarHBondContact CA-O 3.38Å; F98-S174 PolarHBondContact N-O 3.36Å; F98-S174 PolarHBondContact O-N 3.29Å; S174-F176 PolarHBondContact O-N 3.09Å
175K92Very high77.4Confident8 Ų878.7 Ų78.74%0.03538%0.376CS..EExtended strand (participates in β ladder)trans-57.7133169.3-64.9-165.2173.7-169.80109.8I92 T94 V149 D150 I153I92-K175 WeakPolarHBondContact O-CD 3.14Å; I92-K175 PolarHBondContact O-NZ 3.13Å; T94-K175 HydrophobicContact CG2-CB 3.87Å; T94-K175 HydrophobicContact CG2-CD 4.29Å; T94-K175 HydrophobicContact CG2-CG 4.16Å; V149-K175 HydrophobicContact CG1-CG 3.99Å; D150-K175 WeakPolarHBondContact OD1-CE 3.31Å; D150-K175 IonicContact OD1-NZ 2.68Å; D150-K175 PolarHBondContact OD1-NZ 3.27Å; I153-K175 HydrophobicContact CD1-CB 4.32Å; I153-K175 HydrophobicContact CD1-CD 4.22Å; I153-K175 HydrophobicContact CD1-CG 3.25Å
176F87.7Confident74.9Confident45 Ų4582.4 Ų82.420%0.19739%0.388CS..PPolyproline II helixtrans-89.4123.1172.5-173.1-97.6000109.9T94 R96 F98 V140 S174T94-F176 PolarHBondContact OG1-O 3.48Å; T94-F176 VanDerWaalsContact OG1-O 3.04Å; R96-F176 HydrophobicContact CB-CB 3.77Å; R96-F176 HydrophobicContact CB-CD1 4.13Å; R96-F176 HydrophobicContact CB-CG 4.32Å; R96-F176 WeakPolarHBondContact O-CB 3.49Å; R96-F176 PolarHBondContact O-N 2.71Å; F98-F176 HydrophobicContact CB-CB 4.42Å; F98-F176 HydrophobicContact CB-CD2 4.07Å; F98-F176 AromaticContact CD2-CD2 3.73Å; F98-F176 HydrophobicContact CD2-CD2 3.73Å; F98-F176 AromaticContact CD2-CE2 3.98Å; F98-F176 HydrophobicContact CD2-CE2 3.98Å; F98-F176 HydrophobicContact CG-CD2 4.34Å; V140-F176 HydrophobicContact CG1-CD1 4.44Å; V140-F176 HydrophobicContact CG1-CD2 4.49Å; V140-F176 HydrophobicContact CG1-CG 4.32Å; V140-F176 HydrophobicContact CG2-CD2 3.69Å; V140-F176 HydrophobicContact CG2-CE2 3.53Å; V140-F176 HydrophobicContact CG2-CG 4.33Å; V140-F176 HydrophobicContact CG2-CZ 4.04Å; S174-F176 PolarHBondContact O-N 3.09Å
177L76.6Confident72.2Confident16 Ų1688.2 Ų88.28%0.08442%0.419CS..PPolyproline II helixtrans-88.7139.4170.7-72.1177.7000110.8S89 I92 R181 Q182S89-L177 VanDerWaalsContact CB-CD1 3.42Å; S89-L177 WeakPolarHBondContact OG-CD1 3.37Å; S89-L177 WeakPolarHBondContact OG-CG 3.46Å; I92-L177 HydrophobicContact CD1-CD2 3.78Å; L177-R181 HydrophobicContact CB-CB 4.5Å; L177-R181 HydrophobicContact CD2-CB 4Å; L177-Q182 HydrophobicContact CB-CG 3.63Å; L177-Q182 HydrophobicContact CD1-CG 3.86Å; L177-Q182 HydrophobicContact CG-CG 4.45Å
178S67.9Low69.4Low53 Ų5386.3 Ų86.337%0.37142%0.424SS..PPolyproline II helixtrans-63.8149.6161.4660000110.4E180 R181 Q182S178-E180 PolarHBondContact O-N 3.26Å; S178-E180 VanDerWaalsContact O-N 3.13Å; S178-R181 WeakPolarHBondContact O-CA 3.08Å; S178-R181 PolarHBondContact O-N 2.77Å; S178-Q182 PolarHBondContact O-N 3.3Å
179R57.4Low66.7Low213 Ų21382.4 Ų82.480%0.80442%0.417SS*.Hα-helixtrans-52-35176.4-74.5-177.7176.1-171.1-0.5112.8R181 Q182 R183R179-R181 VanDerWaalsContact C-N 3.33Å; R179-R181 PolarHBondContact O-N 3.41Å; R179-Q182 PolarHBondContact O-N 3.22Å; R179-R183 PolarHBondContact O-N 3.32Å; R179-R183 VanDerWaalsContact O-N 3.15Å
180E54.7Low63.7Low133 Ų13387 Ų8762%0.62144%0.443SS*.Hα-helixtrans-65.2-36.5177.4-160.1-174.6159.600112.3S178 K184S178-E180 PolarHBondContact O-N 3.26Å; S178-E180 VanDerWaalsContact O-N 3.13Å; E180-K184 PolarHBondContact O-N 2.81Å; E180-K184 IonicContact OE1-NZ 2.72Å
181R53.5Low60.5Low114 Ų11490.1 Ų90.143%0.4346%0.457SS..Hα-helixtrans-80.4-32.2175.6-69.7-178.4-179.8175.20.6112.8A93 L177 S178 R179 R183 K184 S185A93-R181 PolarHBondContact O-NH1 2.89Å; A93-R181 VanDerWaalsContact O-NH1 3.09Å; L177-R181 HydrophobicContact CB-CB 4.5Å; L177-R181 HydrophobicContact CD2-CB 4Å; S178-R181 WeakPolarHBondContact O-CA 3.08Å; S178-R181 PolarHBondContact O-N 2.77Å; R179-R181 VanDerWaalsContact C-N 3.33Å; R179-R181 PolarHBondContact O-N 3.41Å; R181-R183 VanDerWaalsContact C-N 3.29Å; R181-R183 PolarHBondContact O-N 3.38Å; R181-K184 PolarHBondContact O-N 3.2Å; R181-S185 PolarHBondContact O-N 2.94Å
182Q53.7Low57.3Low95 Ų9595.6 Ų95.644%0.44449%0.491SS..Hα-helixtrans-58.3-42.9171.4-72.7-177.7-37.700111.1L177 S178 R179 S185 Q186L177-Q182 HydrophobicContact CB-CG 3.63Å; L177-Q182 HydrophobicContact CD1-CG 3.86Å; L177-Q182 HydrophobicContact CG-CG 4.45Å; S178-Q182 PolarHBondContact O-N 3.3Å; R179-Q182 PolarHBondContact O-N 3.22Å; Q182-S185 PolarHBondContact O-N 2.83Å; Q182-Q186 PolarHBondContact O-N 2.84Å
183R47.7Very low54.4Low187 Ų187101 Ų10171%0.70652%0.517SS*.Hα-helixtrans-64.7-42.4174-75-178171.5177.6-3.3112.8R179 R181 S185 Q186 N187R179-R183 PolarHBondContact O-N 3.32Å; R179-R183 VanDerWaalsContact O-N 3.15Å; R181-R183 VanDerWaalsContact C-N 3.29Å; R181-R183 PolarHBondContact O-N 3.38Å; R183-S185 PolarHBondContact O-N 3.27Å; R183-Q186 PolarHBondContact O-N 3.3Å; R183-N187 WeakPolarHBondContact O-CB 3.35Å; R183-N187 PolarHBondContact O-N 2.8Å; R183-N187 PolarHBondContact O-OD1 3.14Å
184K48.8Very low51.2Low140 Ų140105.2 Ų105.261%0.60955%0.547SS*.Hα-helixtrans-66.5-33.6177-75.7177.5177.91700113.3E180 R181 G188E180-K184 PolarHBondContact O-N 2.81Å; E180-K184 IonicContact OE1-NZ 2.72Å; R181-K184 PolarHBondContact O-N 3.2Å; K184-G188 WeakPolarHBondContact O-CA 3.36Å; K184-G188 PolarHBondContact O-N 2.8Å
185S46.4Very low48.7Very low79 Ų79119 Ų11955%0.55260%0.598SS**Hα-helixtrans-72.7-28.4175.2-169.10000113R181 Q182 R183R181-S185 PolarHBondContact O-N 2.94Å; Q182-S185 PolarHBondContact O-N 2.83Å; R183-S185 PolarHBondContact O-N 3.27Å
186Q42.7Very low46.5Very low151 Ų151124.6 Ų124.671%0.70663%0.627SS**Hα-helixtrans-81.7-35.3174-72.4178.5-6.100112Q182 R183Q182-Q186 PolarHBondContact O-N 2.84Å; R183-Q186 PolarHBondContact O-N 3.3Å
187N37.7Very low44.3Very low122 Ų122128.8 Ų128.865%0.65265%0.649SS**Hα-helixtrans-86.3-13.9178.1-72.223.5000113.7R183 S189 V190R183-N187 WeakPolarHBondContact O-CB 3.35Å; R183-N187 PolarHBondContact O-N 2.8Å; R183-N187 PolarHBondContact O-OD1 3.14Å; N187-S189 VanDerWaalsContact C-N 3.31Å; N187-V190 WeakPolarHBondContact O-CG2 3.4Å
188G35.4Very low42.5Very low62 Ų62135.1 Ų135.164%0.63968%0.681SS**THydrogen-bonded Turntrans-85.72.2179.600000114.7K184K184-G188 WeakPolarHBondContact O-CA 3.36Å; K184-G188 PolarHBondContact O-N 2.8Å
189S34.7Very low41Very low102 Ų102139.9 Ų139.971%0.71370%0.699SS**THydrogen-bonded Turntrans-110.226.1171.2-550000112.1N187 E191N187-S189 VanDerWaalsContact C-N 3.31Å; S189-E191 PolarHBondContact O-N 2.8Å
190V30.9Very low40Very low117 Ų117135.3 Ų135.371%0.70969%0.692SS**  trans-88.796.3165.7-168.80000106.4N187N187-V190 WeakPolarHBondContact O-CG2 3.4Å
191E27.4Very low39Very low166 Ų166135.5 Ų135.578%0.77670%0.697SS**  trans-47.8141.5152.3-51.6176.3145.200107.3S189S189-E191 PolarHBondContact O-N 2.8Å
192V29.3Very low38Very low115 Ų115137 Ų13770%0.69772%0.716SS**  -175.4126.559.9-94.20000105.4S194V192-S194 PolarHBondContact O-N 3.13Å
193D32.1Very low36.8Very low179 Ų179140.2 Ų140.296%0.95774%0.737SS**  trans-80.1101.7154.9-82.3-27.4000106.5
194S26.6Very low35.9Very low93 Ų93136.3 Ų136.365%0.6574%0.74SS**  trans-69.3137.8167.153.90000110.4V192V192-S194 PolarHBondContact O-N 3.13Å
195Y38.6Very low34.7Very low310 Ų310136 Ų136100%1.21675%0.752SS**  trans82.20176.4-79-87.5000117.4

Retrieved 195 of 195 residues in 60 ms (Link to these results)

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