A0A024F979_HUMAN Loading...

HLA-DRB3 protein

AlphaFold DB (A0A455R1Q4), UniProt , Accession A0A024F979, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB3, Length 226 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
1K94.6Very high96.3Very high143 Ų14380.5 Ų80.562%0.62242%0.418SS*.  0114.20-175-172.2177.7-156.20107.1E3 R18 F20K1-E3 HydrophobicContact CD-CG 4.31Å; K1-E3 VanDerWaalsContact CD-OE1 3.32Å; K1-E3 WeakPolarHBondContact CD-OE1 3.39Å; K1-E3 WeakPolarHBondContact CE-OE1 3.16Å; K1-E3 HydrophobicContact CG-CG 4.27Å; K1-E3 IonicContact NZ-OE1 2.66Å; K1-E3 PolarHBondContact NZ-OE1 3.42Å; K1-R18 PolarHBondContact N-O 3.47Å; K1-R18 PolarHBondContact O-N 2.96Å; K1-F20 HydrophobicContact CB-CD2 4.46Å; K1-F20 HydrophobicContact CB-CE2 3.87Å; K1-F20 HydrophobicContact CD-CE2 4.46Å
2S96.8Very high96.4Very high59 Ų5986 Ų8641%0.41343%0.429SS..EExtended strand (participates in β ladder)trans-93.6131178.6-59.10000109.9L16S2-L16 CarbonylContact C-O 3.51Å; S2-L16 WeakPolarHBondContact CA-O 3.43Å
3E98.1Very high96.5Very high32 Ų3280.1 Ų80.115%0.1540%0.4CS..EExtended strand (participates in β ladder)trans-131.1140.6179.7-53.9176.4-174.600109.7K1 H5 Y15 L16 R18K1-E3 HydrophobicContact CD-CG 4.31Å; K1-E3 VanDerWaalsContact CD-OE1 3.32Å; K1-E3 WeakPolarHBondContact CD-OE1 3.39Å; K1-E3 WeakPolarHBondContact CE-OE1 3.16Å; K1-E3 HydrophobicContact CG-CG 4.27Å; K1-E3 IonicContact NZ-OE1 2.66Å; K1-E3 PolarHBondContact NZ-OE1 3.42Å; E3-H5 IonicContact OE2-CE1 3.74Å; E3-H5 IonicContact OE2-NE2 3.75Å; E3-H5 PolarHBondContact OE2-NE2 3.14Å; E3-Y15 WeakPolarHBondContact O-CD2 3.44Å; E3-L16 HydrophobicContact CB-CB 4.28Å; E3-L16 PolarHBondContact N-O 3.49Å; E3-L16 PolarHBondContact O-N 2.87Å; E3-R18 IonicContact OE1-NH1 2.74Å; E3-R18 PolarHBondContact OE1-NH1 3Å
4C98.3Very high96.7Very high37 Ų3779.7 Ų79.725%0.2539%0.392CS..EExtended strand (participates in β ladder)trans-121.1119172.6-63.10000108F6 C68C4-F6 HydrophobicContact CB-CD2 4.34Å; C4-F6 HydrophobicContact CB-CE1 4.49Å; C4-F6 HydrophobicContact CB-CE2 3.46Å; C4-F6 VanDerWaalsContact CB-CE2 3.46Å; C4-F6 HydrophobicContact CB-CZ 3.55Å; C4-C68 HydrophobicContact CB-CB 3.64Å; C4-C68 WeakPolarHBondContact CB-SG 3.23Å; C4-C68 WeakPolarHBondContact SG-CA 3.38Å; C4-C68 WeakPolarHBondContact SG-CB 3.48Å; C4-C68 CovalentContact SG-SG 2.04Å; C4-C68 PolarHBondContact SG-SG 3.38Å
5H97.9Very high96.8Very high70 Ų7074.7 Ų74.732%0.32437%0.367SS..EExtended strand (participates in β ladder)trans-104.5118.8178.6-64.7-98.7000108.5E3 F7 V13 R14E3-H5 IonicContact OE2-CE1 3.74Å; E3-H5 IonicContact OE2-NE2 3.75Å; E3-H5 PolarHBondContact OE2-NE2 3.14Å; H5-F7 HydrophobicContact CB-CE2 3.92Å; H5-F7 HydrophobicContact CB-CZ 4.17Å; H5-V13 WeakPolarHBondContact O-CA 3.39Å; H5-R14 HydrophobicContact CB-CB 4.33Å; H5-R14 PolarHBondContact N-O 2.96Å; H5-R14 PolarHBondContact O-N 3.44Å
6F97.8Very high96.9Very high73 Ų7370.9 Ų70.932%0.3235%0.348SS..EExtended strand (participates in β ladder)trans-107.2129-173.4-63.5-81.7000110C4 G9 T10 V13 C68 Y72C4-F6 HydrophobicContact CB-CD2 4.34Å; C4-F6 HydrophobicContact CB-CE1 4.49Å; C4-F6 HydrophobicContact CB-CE2 3.46Å; C4-F6 VanDerWaalsContact CB-CE2 3.46Å; C4-F6 HydrophobicContact CB-CZ 3.55Å; F6-G9 WeakPolarHBondContact CB-O 3.34Å; F6-T10 HydrophobicContact CD1-CG2 4.38Å; F6-V13 HydrophobicContact CD1-CG1 4.21Å; F6-V13 HydrophobicContact CD1-CG2 3.76Å; F6-V13 HydrophobicContact CE1-CG1 4.01Å; F6-V13 HydrophobicContact CE1-CG2 4.07Å; F6-C68 HydrophobicContact CE1-CB 4.17Å; F6-C68 HydrophobicContact CZ-CB 4.03Å; F6-C68 WeakPolarHBondContact CZ-O 3.38Å; F6-Y72 HydrophobicContact CB-CD2 4.5Å; F6-Y72 HydrophobicContact CB-CE2 4.39Å; F6-Y72 AromaticContact CD1-CD2 3.49Å; F6-Y72 HydrophobicContact CD1-CD2 3.49Å; F6-Y72 VanDerWaalsContact CD1-CD2 3.49Å; F6-Y72 HydrophobicContact CD1-CE2 4.12Å; F6-Y72 HydrophobicContact CD1-CG 4.15Å; F6-Y72 HydrophobicContact CD2-CD2 4.06Å; F6-Y72 AromaticContact CE1-CD2 3.58Å; F6-Y72 HydrophobicContact CE1-CD2 3.58Å; F6-Y72 AromaticContact CE1-CG 3.9Å; F6-Y72 HydrophobicContact CE1-CG 3.9Å; F6-Y72 HydrophobicContact CE2-CD2 4.11Å; F6-Y72 AromaticContact CG-CD2 3.76Å; F6-Y72 HydrophobicContact CG-CD2 3.76Å; F6-Y72 HydrophobicContact CG-CE2 4.13Å; F6-Y72 AromaticContact CZ-CD2 3.89Å; F6-Y72 HydrophobicContact CZ-CD2 3.89Å; F6-Y72 HydrophobicContact CZ-CG 4.3Å
7F96.5Very high97Very high100 Ų10067.2 Ų67.244%0.43933%0.331SS..EExtended strand (participates in β ladder)trans-125.1128.9177.6-55.5-85.9000109H5 G9 R12H5-F7 HydrophobicContact CB-CE2 3.92Å; H5-F7 HydrophobicContact CB-CZ 4.17Å; F7-G9 PolarHBondContact O-N 3.29Å; F7-R12 HydrophobicContact CB-CB 4.26Å; F7-R12 HydrophobicContact CD2-CG 4.3Å; F7-R12 PolarHBondContact N-O 3.42Å; F7-R12 PolarHBondContact O-N 3.12Å
8N94.8Very high97Very high140 Ų14066.8 Ų66.875%0.74933%0.325SS*.THydrogen-bonded Turntrans49.655.1-174.7-61.4-17000112T10 E11N8-T10 PolarHBondContact O-N 2.94Å; N8-E11 HydrophobicContact CB-CB 4.39Å; N8-E11 WeakPolarHBondContact CB-OE2 3.33Å
9G93.2Very high97.1Very high30 Ų3066.5 Ų66.531%0.30932%0.32SS..THydrogen-bonded Turntrans72.3-120.3-171.800000111F6 F7F6-G9 WeakPolarHBondContact CB-O 3.34Å; F7-G9 PolarHBondContact O-N 3.29Å
10T96.4Very high97.1Very high54 Ų5467.2 Ų67.233%0.33132%0.322SS..THydrogen-bonded Turntrans-109.711-178.1570000113.7F6 N8 R69 Y72F6-T10 HydrophobicContact CD1-CG2 4.38Å; N8-T10 PolarHBondContact O-N 2.94Å; T10-R69 HydrophobicContact CG2-CG 4.35Å; T10-R69 PolarHBondContact O-NE 3.48Å; T10-R69 PolarHBondContact O-NH2 2.83Å; T10-Y72 HydrophobicContact CG2-CD1 3.3Å; T10-Y72 HydrophobicContact CG2-CD2 4.13Å; T10-Y72 HydrophobicContact CG2-CE1 3.67Å; T10-Y72 HydrophobicContact CG2-CE2 4.43Å; T10-Y72 HydrophobicContact CG2-CG 3.57Å
11E95.1Very high97.1Very high148 Ų14869 Ų6969%0.69233%0.33SS*.THydrogen-bonded Turntrans-57.7-58178.6-174.2-177-178.400110.2N8 R69N8-E11 HydrophobicContact CB-CB 4.39Å; N8-E11 WeakPolarHBondContact CB-OE2 3.33Å; E11-R69 PolarHBondContact O-NH2 3.47Å
12R97.1Very high97.1Very high146 Ų14669 Ų6955%0.55134%0.336SS*.EExtended strand (participates in β ladder)trans-115.2125.6171.7-177.3179174-172.8-1.9110F7 D32F7-R12 HydrophobicContact CB-CB 4.26Å; F7-R12 HydrophobicContact CD2-CG 4.3Å; F7-R12 PolarHBondContact N-O 3.42Å; F7-R12 PolarHBondContact O-N 3.12Å; R12-D32 IonicContact NH2-OD2 3.85Å; R12-D32 PolarHBondContact NH2-OD2 3.38Å; R12-D32 VanDerWaalsContact NH2-OD2 3.08Å
13V98.3Very high97Very high9 Ų975.2 Ų75.26%0.05536%0.359CS..EExtended strand (participates in β ladder)trans-130.3126.3-179.5-1800000108.9H5 F6 V64 C68 R69H5-V13 WeakPolarHBondContact O-CA 3.39Å; F6-V13 HydrophobicContact CD1-CG1 4.21Å; F6-V13 HydrophobicContact CD1-CG2 3.76Å; F6-V13 HydrophobicContact CE1-CG1 4.01Å; F6-V13 HydrophobicContact CE1-CG2 4.07Å; V13-V64 HydrophobicContact CB-CG1 4.27Å; V13-V64 HydrophobicContact CG1-CG1 4.41Å; V13-C68 HydrophobicContact CG1-CB 3.53Å; V13-R69 HydrophobicContact CG2-CG 4.05Å; V13-R69 VanDerWaalsContact CG2-CZ 3.48Å
14R98.3Very high97Very high75 Ų7579.2 Ų79.228%0.28338%0.378SS..EExtended strand (participates in β ladder)trans-111.6123174.2-178.9-180174.9-160.57109.8H5 L16 D30 S31H5-R14 HydrophobicContact CB-CB 4.33Å; H5-R14 PolarHBondContact N-O 2.96Å; H5-R14 PolarHBondContact O-N 3.44Å; R14-L16 HydrophobicContact CG-CG 4.46Å; R14-D30 IonicContact CZ-OD1 3.52Å; R14-D30 IonicContact CZ-OD2 2.93Å; R14-D30 IonicContact NE-OD1 3.76Å; R14-D30 PolarHBondContact NE-OD1 3.38Å; R14-D30 IonicContact NE-OD2 3.08Å; R14-D30 PolarHBondContact NE-OD2 3.38Å; R14-D30 IonicContact NH2-OD1 2.74Å; R14-D30 IonicContact NH2-OD2 2.63Å; R14-D30 PolarHBondContact NH2-OD2 3.06Å; R14-S31 WeakPolarHBondContact CA-OG 3.15Å
15Y98.6Very high97Very high4 Ų478.3 Ų78.32%0.01637%0.37CS..EExtended strand (participates in β ladder)trans-98127.6173.6174.9-111.3000109.9E3 D17 F29 S31 K60 R63 Y67E3-Y15 WeakPolarHBondContact O-CD2 3.44Å; Y15-D17 HydrophobicContact CE1-CB 3.97Å; Y15-F29 AromaticContact CD1-CD1 3.96Å; Y15-F29 HydrophobicContact CD1-CD1 3.96Å; Y15-F29 HydrophobicContact CD1-CE1 4.08Å; Y15-F29 HydrophobicContact CE1-CD1 4.13Å; Y15-S31 PolarHBondContact N-OG 3.27Å; Y15-S31 PolarHBondContact O-N 3.46Å; Y15-S31 PolarHBondContact O-OG 2.96Å; Y15-K60 HydrophobicContact CE1-CD 4.36Å; Y15-R63 HydrophobicContact CD1-CB 3.56Å; Y15-R63 HydrophobicContact CD1-CG 4.29Å; Y15-R63 HydrophobicContact CD2-CB 4.15Å; Y15-R63 HydrophobicContact CE1-CB 3.5Å; Y15-R63 HydrophobicContact CE1-CG 3.74Å; Y15-R63 HydrophobicContact CE2-CB 4.11Å; Y15-R63 HydrophobicContact CG-CB 3.88Å; Y15-Y67 HydrophobicContact CE2-CD1 4.2Å; Y15-Y67 HydrophobicContact CE2-CE1 4.49Å
16L98.3Very high97Very high14 Ų1476.7 Ų76.77%0.07336%0.362CS..EExtended strand (participates in β ladder)trans-120.2131.7173.7-72.4169.7000109.4S2 E3 R14 R18 F29 D30S2-L16 CarbonylContact C-O 3.51Å; S2-L16 WeakPolarHBondContact CA-O 3.43Å; E3-L16 HydrophobicContact CB-CB 4.28Å; E3-L16 PolarHBondContact N-O 3.49Å; E3-L16 PolarHBondContact O-N 2.87Å; R14-L16 HydrophobicContact CG-CG 4.46Å; L16-R18 HydrophobicContact CB-CG 4.39Å; L16-F29 WeakPolarHBondContact CA-O 3.41Å; L16-D30 HydrophobicContact CD2-CB 3.75Å; L16-D30 VanDerWaalsContact CD2-CG 3.49Å
17D98.3Very high97Very high9 Ų973.2 Ų73.25%0.04835%0.347CS..EExtended strand (participates in β ladder)trans-123109169.8-165.911.2000109.6Y15 Y19 R28 F29 K60Y15-D17 HydrophobicContact CE1-CB 3.97Å; D17-Y19 HydrophobicContact CB-CE2 4.37Å; D17-Y19 PolarHBondContact OD2-OH 2.92Å; D17-Y19 VanDerWaalsContact OD2-OH 3.11Å; D17-R28 CarbonylContact O-C 3.51Å; D17-R28 VanDerWaalsContact O-CA 3.26Å; D17-R28 WeakPolarHBondContact O-CA 3.48Å; D17-F29 HydrophobicContact CB-CB 4.22Å; D17-F29 PolarHBondContact N-O 3.47Å; D17-F29 PolarHBondContact O-N 3.31Å; D17-K60 IonicContact OD2-NZ 3.2Å; D17-K60 PolarHBondContact OD2-NZ 2.95Å
18R98.3Very high97.1Very high60 Ų6072.2 Ų72.223%0.22634%0.34CS..EExtended strand (participates in β ladder)trans-112.5131.5-167.6-59.1174.368.4-164.11.5110.6K1 E3 L16 F20 E25 R28K1-R18 PolarHBondContact N-O 3.47Å; K1-R18 PolarHBondContact O-N 2.96Å; E3-R18 IonicContact OE1-NH1 2.74Å; E3-R18 PolarHBondContact OE1-NH1 3Å; L16-R18 HydrophobicContact CB-CG 4.39Å; R18-F20 HydrophobicContact CB-CD2 4.4Å; R18-F20 HydrophobicContact CB-CE2 3.45Å; R18-F20 VanDerWaalsContact CB-CE2 3.45Å; R18-F20 HydrophobicContact CB-CZ 3.8Å; R18-E25 HydrophobicContact CB-CG 4.48Å; R18-E25 WeakPolarHBondContact CG-OE1 3.41Å; R18-E25 IonicContact CZ-OE1 3.11Å; R18-E25 IonicContact CZ-OE2 3.72Å; R18-E25 IonicContact NE-OE1 3.5Å; R18-E25 PolarHBondContact NE-OE1 3.43Å; R18-E25 IonicContact NE-OE2 3.42Å; R18-E25 PolarHBondContact NE-OE2 3.4Å; R18-E25 IonicContact NH2-OE1 3.46Å; R18-E25 IonicContact NH2-OE2 3.88Å; R18-E25 PolarHBondContact NH2-OE2 3.03Å; R18-R28 HydrophobicContact CG-CB 4.3Å
19Y98Very high97.3Very high61 Ų6165.6 Ų65.624%0.23931%0.305CS..EExtended strand (participates in β ladder)trans-112.9132.5-178-64.5-102000109.6D17 E25 F26 L27 Y36 W50D17-Y19 HydrophobicContact CB-CE2 4.37Å; D17-Y19 PolarHBondContact OD2-OH 2.92Å; D17-Y19 VanDerWaalsContact OD2-OH 3.11Å; Y19-E25 WeakPolarHBondContact O-CA 3.47Å; Y19-F26 WeakPolarHBondContact O-CD1 3.5Å; Y19-F26 PolarHBondContact O-N 3.22Å; Y19-L27 HydrophobicContact CD2-CD2 4.17Å; Y19-L27 HydrophobicContact CD2-CG 4.47Å; Y19-L27 HydrophobicContact CG-CD2 4.41Å; Y19-L27 PolarHBondContact N-O 3.03Å; Y19-Y36 AromaticContact CE2-CE1 3.88Å; Y19-Y36 HydrophobicContact CE2-CE1 3.88Å; Y19-W50 HydrophobicContact CD1-CH2 4.29Å; Y19-W50 HydrophobicContact CD2-CZ3 4.43Å; Y19-W50 AromaticContact CE1-CH2 3.63Å; Y19-W50 HydrophobicContact CE1-CH2 3.63Å; Y19-W50 AromaticContact CE1-CZ3 3.9Å; Y19-W50 HydrophobicContact CE1-CZ3 3.9Å; Y19-W50 HydrophobicContact CE2-CH2 4.38Å; Y19-W50 AromaticContact CE2-CZ3 3.79Å; Y19-W50 HydrophobicContact CE2-CZ3 3.79Å; Y19-W50 AromaticContact CZ-CH2 3.67Å; Y19-W50 AromaticContact CZ-CZ3 3.45Å; Y19-W50 VanDerWaalsContact CZ-CZ3 3.45Å; Y19-W50 WeakPolarHBondContact OH-CZ3 3.35Å
20F98Very high97.6Very high80 Ų8064.9 Ų64.935%0.35129%0.294SS..EExtended strand (participates in β ladder)trans-125140.5-172.5-60.1-97.3000110.1K1 R18 E24 E25K1-F20 HydrophobicContact CB-CD2 4.46Å; K1-F20 HydrophobicContact CB-CE2 3.87Å; K1-F20 HydrophobicContact CD-CE2 4.46Å; R18-F20 HydrophobicContact CB-CD2 4.4Å; R18-F20 HydrophobicContact CB-CE2 3.45Å; R18-F20 VanDerWaalsContact CB-CE2 3.45Å; R18-F20 HydrophobicContact CB-CZ 3.8Å; F20-E24 CarbonylContact C-O 3.52Å; F20-E24 VanDerWaalsContact CA-O 3.28Å; F20-E24 WeakPolarHBondContact CA-O 3.14Å; F20-E25 HydrophobicContact CD1-CB 3.71Å; F20-E25 HydrophobicContact CD1-CG 4.32Å; F20-E25 HydrophobicContact CE1-CB 3.54Å; F20-E25 HydrophobicContact CE1-CG 4Å; F20-E25 HydrophobicContact CZ-CB 4.25Å; F20-E25 HydrophobicContact CZ-CG 4.22Å
21H96.3Very high97.6Very high105 Ų10563.6 Ų63.649%0.48629%0.287SS..EExtended strand (participates in β ladder)trans-116118.8166179.1-102.1000106.4Q23 E24 F26 L42H21-Q23 PolarHBondContact O-N 3.29Å; H21-E24 PolarHBondContact N-O 2.93Å; H21-E24 PolarHBondContact O-N 3.49Å; H21-F26 HydrophobicContact CB-CD1 3.86Å; H21-F26 HydrophobicContact CB-CE1 4.16Å; H21-L42 HydrophobicContact CB-CD2 4.05Å
22N94.5Very high97.8Very high142 Ų14260.5 Ų60.576%0.75928%0.275SS*.THydrogen-bonded Turntrans54.3-118.5-162.1-55.2-42.4000110.8
23Q95.5Very high97.8Very high191 Ų19156.3 Ų56.389%0.89327%0.265SS*.THydrogen-bonded Turntrans-105.62.7176.9-64.8-179.5-15.700112.7H21H21-Q23 PolarHBondContact O-N 3.29Å
24E97.5Very high97.7Very high116 Ų11656.3 Ų56.354%0.54227%0.267SS..EExtended strand (participates in β ladder)trans-95.3121.9-179.4-171.6176.4-162.200109.9F20 H21 F26 T40F20-E24 CarbonylContact C-O 3.52Å; F20-E24 VanDerWaalsContact CA-O 3.28Å; F20-E24 WeakPolarHBondContact CA-O 3.14Å; H21-E24 PolarHBondContact N-O 2.93Å; H21-E24 PolarHBondContact O-N 3.49Å; E24-F26 PolarHBondContact O-N 3.25Å; E24-T40 HydrophobicContact CG-CG2 4.01Å; E24-T40 VanDerWaalsContact OE1-CG2 3.29Å; E24-T40 WeakPolarHBondContact OE1-CG2 3.28Å
25E98.3Very high97.7Very high18 Ų1856.2 Ų56.28%0.08427%0.27CS..EExtended strand (participates in β ladder)trans-73.6120.7171.3-172.2-176.8-176.200109.2R18 Y19 F20 R28 V39 T40R18-E25 HydrophobicContact CB-CG 4.48Å; R18-E25 WeakPolarHBondContact CG-OE1 3.41Å; R18-E25 IonicContact CZ-OE1 3.11Å; R18-E25 IonicContact CZ-OE2 3.72Å; R18-E25 IonicContact NE-OE1 3.5Å; R18-E25 PolarHBondContact NE-OE1 3.43Å; R18-E25 IonicContact NE-OE2 3.42Å; R18-E25 PolarHBondContact NE-OE2 3.4Å; R18-E25 IonicContact NH2-OE1 3.46Å; R18-E25 IonicContact NH2-OE2 3.88Å; R18-E25 PolarHBondContact NH2-OE2 3.03Å; Y19-E25 WeakPolarHBondContact O-CA 3.47Å; F20-E25 HydrophobicContact CD1-CB 3.71Å; F20-E25 HydrophobicContact CD1-CG 4.32Å; F20-E25 HydrophobicContact CE1-CB 3.54Å; F20-E25 HydrophobicContact CE1-CG 4Å; F20-E25 HydrophobicContact CZ-CB 4.25Å; F20-E25 HydrophobicContact CZ-CG 4.22Å; E25-R28 WeakPolarHBondContact OE1-CB 3.47Å; E25-R28 IonicContact OE1-CZ 2.72Å; E25-R28 IonicContact OE1-NE 3.35Å; E25-R28 PolarHBondContact OE1-NE 3.48Å; E25-R28 IonicContact OE1-NH2 3.81Å; E25-R28 PolarHBondContact OE1-NH2 3.28Å; E25-R28 IonicContact OE2-CZ 3.22Å; E25-R28 IonicContact OE2-NE 3.01Å; E25-R28 IonicContact OE2-NH2 2.79Å; E25-R28 PolarHBondContact OE2-NH2 2.98Å; E25-V39 HydrophobicContact CB-CG1 4.48Å; E25-V39 HydrophobicContact CG-CB 4.46Å; E25-V39 HydrophobicContact CG-CG2 4.05Å; E25-V39 WeakPolarHBondContact O-CB 3.36Å; E25-V39 VanDerWaalsContact O-CG1 3.31Å; E25-V39 WeakPolarHBondContact O-CG1 3.09Å; E25-T40 WeakPolarHBondContact O-CG2 3.4Å
26F98.4Very high97.7Very high35 Ų3556.1 Ų56.115%0.15427%0.27CS..EExtended strand (participates in β ladder)trans-107.5-21.9-178.270.2-89.9000113.4Y19 H21 E24 V39 T40 L42 G43Y19-F26 WeakPolarHBondContact O-CD1 3.5Å; Y19-F26 PolarHBondContact O-N 3.22Å; H21-F26 HydrophobicContact CB-CD1 3.86Å; H21-F26 HydrophobicContact CB-CE1 4.16Å; E24-F26 PolarHBondContact O-N 3.25Å; F26-V39 PolarHBondContact O-N 3.22Å; F26-T40 WeakPolarHBondContact CA-OG1 3.45Å; F26-T40 VanDerWaalsContact CB-OG1 3.29Å; F26-T40 WeakPolarHBondContact CB-OG1 3.39Å; F26-T40 PolarHBondContact O-N 3Å; F26-L42 HydrophobicContact CB-CB 4.22Å; F26-L42 HydrophobicContact CB-CD2 4.16Å; F26-L42 HydrophobicContact CB-CG 4.42Å; F26-L42 HydrophobicContact CD1-CD2 4.47Å; F26-L42 HydrophobicContact CD2-CD2 4.5Å; F26-L42 HydrophobicContact CD2-CG 4.37Å; F26-L42 HydrophobicContact CG-CD2 4.15Å; F26-L42 HydrophobicContact CG-CG 4.44Å; F26-G43 WeakPolarHBondContact O-CA 3.47Å
27L98.5Very high97.7Very high1 Ų162 Ų621%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-150.2143.2-176.3179.878.9000110.1Y19 Y36 V46 A47 W50Y19-L27 HydrophobicContact CD2-CD2 4.17Å; Y19-L27 HydrophobicContact CD2-CG 4.47Å; Y19-L27 HydrophobicContact CG-CD2 4.41Å; Y19-L27 PolarHBondContact N-O 3.03Å; L27-Y36 HydrophobicContact CD1-CD1 4.4Å; L27-Y36 HydrophobicContact CD2-CD1 4.01Å; L27-Y36 HydrophobicContact CD2-CE1 4.49Å; L27-Y36 HydrophobicContact CG-CD1 4.08Å; L27-V46 HydrophobicContact CD2-CB 4.12Å; L27-V46 HydrophobicContact CD2-CG1 3.59Å; L27-A47 HydrophobicContact CD1-CB 3.56Å; L27-W50 HydrophobicContact CD2-CE3 3.83Å; L27-W50 HydrophobicContact CD2-CH2 4.38Å; L27-W50 HydrophobicContact CD2-CZ3 3.72Å
28R98.5Very high97.7Very high79 Ų7963.5 Ų63.530%0.29831%0.305SS..EExtended strand (participates in β ladder)trans-141.7146.2171.565.3175.364.4155.25.8113.1D17 R18 E25 Y36 R37 V39D17-R28 CarbonylContact O-C 3.51Å; D17-R28 VanDerWaalsContact O-CA 3.26Å; D17-R28 WeakPolarHBondContact O-CA 3.48Å; R18-R28 HydrophobicContact CG-CB 4.3Å; E25-R28 WeakPolarHBondContact OE1-CB 3.47Å; E25-R28 IonicContact OE1-CZ 2.72Å; E25-R28 IonicContact OE1-NE 3.35Å; E25-R28 PolarHBondContact OE1-NE 3.48Å; E25-R28 IonicContact OE1-NH2 3.81Å; E25-R28 PolarHBondContact OE1-NH2 3.28Å; E25-R28 IonicContact OE2-CZ 3.22Å; E25-R28 IonicContact OE2-NE 3.01Å; E25-R28 IonicContact OE2-NH2 2.79Å; E25-R28 PolarHBondContact OE2-NH2 2.98Å; R28-Y36 CarbonylContact O-C 3.47Å; R28-Y36 VanDerWaalsContact O-CA 3.27Å; R28-Y36 WeakPolarHBondContact O-CA 3.43Å; R28-R37 PolarHBondContact N-O 3.36Å; R28-R37 PolarHBondContact O-N 3.05Å; R28-V39 HydrophobicContact CB-CG2 4.4Å; R28-V39 HydrophobicContact CG-CG2 3.91Å
29F98.6Very high97.7Very high0 Ų063.6 Ų63.60%031%0.312CS..EExtended strand (participates in β ladder)trans-98.2136.6157.2-179.7-90.1000108.9Y15 L16 D17 Y36 L57 K60 R61Y15-F29 AromaticContact CD1-CD1 3.96Å; Y15-F29 HydrophobicContact CD1-CD1 3.96Å; Y15-F29 HydrophobicContact CD1-CE1 4.08Å; Y15-F29 HydrophobicContact CE1-CD1 4.13Å; L16-F29 WeakPolarHBondContact CA-O 3.41Å; D17-F29 HydrophobicContact CB-CB 4.22Å; D17-F29 PolarHBondContact N-O 3.47Å; D17-F29 PolarHBondContact O-N 3.31Å; F29-Y36 HydrophobicContact CB-CD1 3.74Å; F29-Y36 HydrophobicContact CB-CE1 3.58Å; F29-Y36 HydrophobicContact CB-CE2 4.44Å; F29-Y36 HydrophobicContact CB-CG 4.26Å; F29-Y36 HydrophobicContact CD2-CD2 4.01Å; F29-Y36 AromaticContact CD2-CE2 3.98Å; F29-Y36 HydrophobicContact CD2-CE2 3.98Å; F29-Y36 HydrophobicContact CD2-CG 4.33Å; F29-L57 HydrophobicContact CD2-CD2 4.49Å; F29-L57 HydrophobicContact CE2-CD2 4.14Å; F29-K60 HydrophobicContact CD1-CB 4.12Å; F29-K60 HydrophobicContact CD2-CB 3.88Å; F29-K60 HydrophobicContact CE1-CB 3.87Å; F29-K60 HydrophobicContact CE2-CB 3.62Å; F29-K60 HydrophobicContact CG-CB 4.13Å; F29-K60 HydrophobicContact CZ-CB 3.62Å; F29-R61 HydrophobicContact CZ-CG 3.91Å
30D98.4Very high97.7Very high16 Ų1662.1 Ų62.19%0.08631%0.31CS..EExtended strand (participates in β ladder)trans-129.3120.8176.9-171.4-14.4000109.5R14 L16 D32 V33 G34R14-D30 IonicContact CZ-OD1 3.52Å; R14-D30 IonicContact CZ-OD2 2.93Å; R14-D30 IonicContact NE-OD1 3.76Å; R14-D30 PolarHBondContact NE-OD1 3.38Å; R14-D30 IonicContact NE-OD2 3.08Å; R14-D30 PolarHBondContact NE-OD2 3.38Å; R14-D30 IonicContact NH2-OD1 2.74Å; R14-D30 IonicContact NH2-OD2 2.63Å; R14-D30 PolarHBondContact NH2-OD2 3.06Å; L16-D30 HydrophobicContact CD2-CB 3.75Å; L16-D30 VanDerWaalsContact CD2-CG 3.49Å; D30-D32 PolarHBondContact O-N 3.04Å; D30-D32 PolarHBondContact OD1-N 3.36Å; D30-D32 VanDerWaalsContact OD1-N 3.13Å; D30-V33 HydrophobicContact CB-CB 4.27Å; D30-V33 HydrophobicContact CB-CG2 3.95Å; D30-V33 CarbonylContact O-C 3.58Å; D30-V33 PolarHBondContact O-N 3.49Å; D30-G34 PolarHBondContact O-N 3.31Å
31S98.1Very high97.6Very high26 Ų2664.4 Ų64.418%0.18232%0.321CS..THydrogen-bonded Turntrans-62.2-29.1-178.762.30000113.6R14 Y15 V33R14-S31 WeakPolarHBondContact CA-OG 3.15Å; Y15-S31 PolarHBondContact N-OG 3.27Å; Y15-S31 PolarHBondContact O-N 3.46Å; Y15-S31 PolarHBondContact O-OG 2.96Å; S31-V33 PolarHBondContact O-N 3.19Å
32D97.3Very high97.7Very high84 Ų8463.9 Ų63.945%0.44932%0.322SS..THydrogen-bonded Turntrans-70.5-19.4177.8-74.412.9000111R12 D30R12-D32 IonicContact NH2-OD2 3.85Å; R12-D32 PolarHBondContact NH2-OD2 3.38Å; R12-D32 VanDerWaalsContact NH2-OD2 3.08Å; D30-D32 PolarHBondContact O-N 3.04Å; D30-D32 PolarHBondContact OD1-N 3.36Å; D30-D32 VanDerWaalsContact OD1-N 3.13Å
33V97.8Very high97.8Very high57 Ų5757.1 Ų57.135%0.34529%0.285SS..THydrogen-bonded Turntrans-99.9-37.7174.8-1720000111.4D30 S31 E35D30-V33 HydrophobicContact CB-CB 4.27Å; D30-V33 HydrophobicContact CB-CG2 3.95Å; D30-V33 CarbonylContact O-C 3.58Å; D30-V33 PolarHBondContact O-N 3.49Å; S31-V33 PolarHBondContact O-N 3.19Å; V33-E35 HydrophobicContact CG1-CG 3.86Å
34G97.5Very high97.9Very high9 Ų954 Ų549%0.09327%0.265CS..THydrogen-bonded Turntrans84.214.5178.600000115.3D30 R61D30-G34 PolarHBondContact O-N 3.31Å; G34-R61 VanDerWaalsContact O-CZ 3.28Å; G34-R61 PolarHBondContact O-NE 3.43Å; G34-R61 PolarHBondContact O-NH2 3.04Å
35E98.2Very high98Very high74 Ų7452.3 Ų52.335%0.34627%0.265SS..EExtended strand (participates in β ladder)trans-152.4170.6179.567.6-176.5-17300112.3V33 R37 L57V33-E35 HydrophobicContact CG1-CG 3.86Å; E35-R37 IonicContact OE1-NE 2.68Å; E35-L57 HydrophobicContact CB-CD2 4.21Å
36Y98.4Very high97.9Very high2 Ų253.4 Ų53.41%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-79.2135.5172.4-71.4-88.1000111.3Y19 L27 R28 F29 W50 N51 L56 L57 K60Y19-Y36 AromaticContact CE2-CE1 3.88Å; Y19-Y36 HydrophobicContact CE2-CE1 3.88Å; L27-Y36 HydrophobicContact CD1-CD1 4.4Å; L27-Y36 HydrophobicContact CD2-CD1 4.01Å; L27-Y36 HydrophobicContact CD2-CE1 4.49Å; L27-Y36 HydrophobicContact CG-CD1 4.08Å; R28-Y36 CarbonylContact O-C 3.47Å; R28-Y36 VanDerWaalsContact O-CA 3.27Å; R28-Y36 WeakPolarHBondContact O-CA 3.43Å; F29-Y36 HydrophobicContact CB-CD1 3.74Å; F29-Y36 HydrophobicContact CB-CE1 3.58Å; F29-Y36 HydrophobicContact CB-CE2 4.44Å; F29-Y36 HydrophobicContact CB-CG 4.26Å; F29-Y36 HydrophobicContact CD2-CD2 4.01Å; F29-Y36 AromaticContact CD2-CE2 3.98Å; F29-Y36 HydrophobicContact CD2-CE2 3.98Å; F29-Y36 HydrophobicContact CD2-CG 4.33Å; Y36-W50 AromaticContact CD1-CE3 3.72Å; Y36-W50 HydrophobicContact CD1-CE3 3.72Å; Y36-W50 HydrophobicContact CD1-CZ3 4.17Å; Y36-W50 HydrophobicContact CD2-CB 3.89Å; Y36-W50 HydrophobicContact CD2-CE3 4.18Å; Y36-W50 AromaticContact CE1-CE3 3.33Å; Y36-W50 HydrophobicContact CE1-CE3 3.33Å; Y36-W50 AromaticContact CE1-CZ3 3.51Å; Y36-W50 HydrophobicContact CE1-CZ3 3.51Å; Y36-W50 HydrophobicContact CE2-CB 4.18Å; Y36-W50 AromaticContact CE2-CE3 3.84Å; Y36-W50 HydrophobicContact CE2-CE3 3.84Å; Y36-W50 HydrophobicContact CG-CB 4.35Å; Y36-W50 HydrophobicContact CG-CE3 4.11Å; Y36-W50 AromaticContact CZ-CE3 3.38Å; Y36-W50 AromaticContact CZ-CZ3 3.79Å; Y36-N51 WeakPolarHBondContact CB-OD1 3.39Å; Y36-N51 PolarHBondContact N-OD1 3.19Å; Y36-N51 PolarHBondContact O-ND2 2.96Å; Y36-L56 HydrophobicContact CE2-CD2 4.19Å; Y36-L56 HydrophobicContact CE2-CG 4.28Å; Y36-L57 HydrophobicContact CD2-CD2 4.01Å; Y36-L57 HydrophobicContact CE2-CD2 4.37Å; Y36-K60 HydrophobicContact CE2-CG 4.17Å; Y36-K60 VanDerWaalsContact OH-CD 3.3Å; Y36-K60 WeakPolarHBondContact OH-CD 3.36Å; Y36-K60 WeakPolarHBondContact OH-CE 3.32Å; Y36-K60 WeakPolarHBondContact OH-CG 3.41Å
37R98.3Very high97.9Very high136 Ų13652.1 Ų52.151%0.51327%0.268SS..EExtended strand (participates in β ladder)trans-122129.3171.6-69.5-166.9172.4176.32.7110.4R28 E35 V39R28-R37 PolarHBondContact N-O 3.36Å; R28-R37 PolarHBondContact O-N 3.05Å; E35-R37 IonicContact OE1-NE 2.68Å; R37-V39 PolarHBondContact O-N 3.45Å
38A98Very high97.9Very high42 Ų4258.1 Ų58.135%0.34730%0.296SS..EExtended strand (participates in β ladder)trans-64.3126.316700000108.8G43 R44 A47A38-G43 VanDerWaalsContact CB-C 3.47Å; A38-R44 HydrophobicContact CB-CB 4.31Å; A38-A47 HydrophobicContact CB-CB 4.2Å
39V98.1Very high97.9Very high61 Ų6157.1 Ų57.137%0.3730%0.302SS..SBendtrans-89.1-30.2173.2-179.70000109.7E25 F26 R28 R37E25-V39 HydrophobicContact CB-CG1 4.48Å; E25-V39 HydrophobicContact CG-CB 4.46Å; E25-V39 HydrophobicContact CG-CG2 4.05Å; E25-V39 WeakPolarHBondContact O-CB 3.36Å; E25-V39 VanDerWaalsContact O-CG1 3.31Å; E25-V39 WeakPolarHBondContact O-CG1 3.09Å; F26-V39 PolarHBondContact O-N 3.22Å; R28-V39 HydrophobicContact CB-CG2 4.4Å; R28-V39 HydrophobicContact CG-CG2 3.91Å; R37-V39 PolarHBondContact O-N 3.45Å
40T97.8Very high97.9Very high31 Ų3160.3 Ų60.319%0.1931%0.314CS..SBendtrans-133.9168.117670.70000110E24 E25 F26 L42 G43E24-T40 HydrophobicContact CG-CG2 4.01Å; E24-T40 VanDerWaalsContact OE1-CG2 3.29Å; E24-T40 WeakPolarHBondContact OE1-CG2 3.28Å; E25-T40 WeakPolarHBondContact O-CG2 3.4Å; F26-T40 WeakPolarHBondContact CA-OG1 3.45Å; F26-T40 VanDerWaalsContact CB-OG1 3.29Å; F26-T40 WeakPolarHBondContact CB-OG1 3.39Å; F26-T40 PolarHBondContact O-N 3Å; T40-L42 PolarHBondContact O-N 3.5Å; T40-G43 PolarHBondContact O-N 3.28Å
41E96.6Very high97.9Very high127 Ų12761.2 Ų61.259%0.59332%0.319SS*.G310 helixtrans-57.7-31.7-180-69.2-57.614800113.2G43 R44E41-G43 PolarHBondContact O-N 3.49Å; E41-R44 VanDerWaalsContact CD-NH2 3.27Å; E41-R44 WeakPolarHBondContact O-CB 3.28Å; E41-R44 PolarHBondContact O-N 3.08Å; E41-R44 VanDerWaalsContact O-N 3.16Å; E41-R44 IonicContact OE1-CZ 3.71Å; E41-R44 IonicContact OE1-NE 3.41Å; E41-R44 IonicContact OE1-NH2 2.64Å; E41-R44 PolarHBondContact OE1-NH2 3.46Å; E41-R44 IonicContact OE2-CZ 3.44Å; E41-R44 VanDerWaalsContact OE2-CZ 3.24Å; E41-R44 IonicContact OE2-NE 3.64Å; E41-R44 PolarHBondContact OE2-NE 3.06Å; E41-R44 IonicContact OE2-NH2 3.61Å; E41-R44 PolarHBondContact OE2-NH2 3.04Å
42L96.5Very high97.9Very high95 Ų9564 Ų6450%0.49734%0.338SS..G310 helixtrans-58.2-33.7175.8-177.965.4000112.3H21 F26 T40H21-L42 HydrophobicContact CB-CD2 4.05Å; F26-L42 HydrophobicContact CB-CB 4.22Å; F26-L42 HydrophobicContact CB-CD2 4.16Å; F26-L42 HydrophobicContact CB-CG 4.42Å; F26-L42 HydrophobicContact CD1-CD2 4.47Å; F26-L42 HydrophobicContact CD2-CD2 4.5Å; F26-L42 HydrophobicContact CD2-CG 4.37Å; F26-L42 HydrophobicContact CG-CD2 4.15Å; F26-L42 HydrophobicContact CG-CG 4.44Å; T40-L42 PolarHBondContact O-N 3.5Å
43G97.9Very high97.9Very high0 Ų064.4 Ų64.40%034%0.337CS..G310 helixtrans-83.3-13.7-179.300000115.1F26 A38 T40 E41 V46 A47F26-G43 WeakPolarHBondContact O-CA 3.47Å; A38-G43 VanDerWaalsContact CB-C 3.47Å; T40-G43 PolarHBondContact O-N 3.28Å; E41-G43 PolarHBondContact O-N 3.49Å; G43-V46 PolarHBondContact O-N 3.01Å; G43-A47 WeakPolarHBondContact O-CB 3.25Å; G43-A47 PolarHBondContact O-N 3.3Å
44R98.1Very high97.9Very high124 Ų12468.3 Ų68.347%0.46835%0.349SS..Hα-helixtrans-54.9-54.7-177.2-171.3-171.2-65.7-116.71.3113.2A38 E41 V46 A47 E48A38-R44 HydrophobicContact CB-CB 4.31Å; E41-R44 VanDerWaalsContact CD-NH2 3.27Å; E41-R44 WeakPolarHBondContact O-CB 3.28Å; E41-R44 PolarHBondContact O-N 3.08Å; E41-R44 VanDerWaalsContact O-N 3.16Å; E41-R44 IonicContact OE1-CZ 3.71Å; E41-R44 IonicContact OE1-NE 3.41Å; E41-R44 IonicContact OE1-NH2 2.64Å; E41-R44 PolarHBondContact OE1-NH2 3.46Å; E41-R44 IonicContact OE2-CZ 3.44Å; E41-R44 VanDerWaalsContact OE2-CZ 3.24Å; E41-R44 IonicContact OE2-NE 3.64Å; E41-R44 PolarHBondContact OE2-NE 3.06Å; E41-R44 IonicContact OE2-NH2 3.61Å; E41-R44 PolarHBondContact OE2-NH2 3.04Å; R44-V46 PolarHBondContact O-N 3.17Å; R44-A47 PolarHBondContact O-N 3.36Å; R44-E48 WeakPolarHBondContact O-CG 3.3Å; R44-E48 PolarHBondContact O-N 3.36Å; R44-E48 VanDerWaalsContact O-N 3.07Å
45P98.1Very high97.9Very high82 Ų8274.3 Ų74.353%0.53238%0.379SS..Hα-helixtrans-63.5-31.6-179.825.2-35.2000112.6S49P45-S49 WeakPolarHBondContact O-CB 3.31Å; P45-S49 PolarHBondContact O-N 2.87Å; P45-S49 VanDerWaalsContact O-N 3.12Å
46V97.9Very high97.9Very high41 Ų4172.6 Ų72.625%0.24837%0.372CS..Hα-helixtrans-72.5-44.4179-169.90000110.7L27 G43 R44 E48 S49 W50L27-V46 HydrophobicContact CD2-CB 4.12Å; L27-V46 HydrophobicContact CD2-CG1 3.59Å; G43-V46 PolarHBondContact O-N 3.01Å; R44-V46 PolarHBondContact O-N 3.17Å; V46-E48 PolarHBondContact O-N 3.1Å; V46-S49 PolarHBondContact O-N 3.36Å; V46-W50 HydrophobicContact CG1-CD2 3.81Å; V46-W50 HydrophobicContact CG1-CE3 4.27Å; V46-W50 HydrophobicContact CG1-CG 4.19Å; V46-W50 HydrophobicContact CG1-CH2 4.38Å; V46-W50 HydrophobicContact CG1-CZ2 3.92Å; V46-W50 WeakPolarHBondContact O-CB 3.37Å; V46-W50 PolarHBondContact O-N 3.49Å
47A98.4Very high97.8Very high8 Ų872.8 Ų72.87%0.06637%0.373CS..Hα-helixtrans-59.4-47.1176.900000111.2L27 A38 G43 R44 W50 N51L27-A47 HydrophobicContact CD1-CB 3.56Å; A38-A47 HydrophobicContact CB-CB 4.2Å; G43-A47 WeakPolarHBondContact O-CB 3.25Å; G43-A47 PolarHBondContact O-N 3.3Å; R44-A47 PolarHBondContact O-N 3.36Å; A47-W50 PolarHBondContact O-N 3.07Å; A47-N51 WeakPolarHBondContact O-CB 3.18Å; A47-N51 PolarHBondContact O-N 2.98Å; A47-N51 PolarHBondContact O-ND2 3.47Å
48E97.8Very high97.8Very high127 Ų12772.2 Ų72.259%0.59338%0.377SS*.Hα-helixtrans-59.1-49.8177.4-71.9172.6-169.300111.5R44 V46 W50 S52R44-E48 WeakPolarHBondContact O-CG 3.3Å; R44-E48 PolarHBondContact O-N 3.36Å; R44-E48 VanDerWaalsContact O-N 3.07Å; V46-E48 PolarHBondContact O-N 3.1Å; E48-W50 PolarHBondContact O-N 3.5Å; E48-S52 PolarHBondContact O-N 2.88Å; E48-S52 VanDerWaalsContact O-N 3.17Å
49S98.1Very high97.8Very high58 Ų5875.1 Ų75.141%0.40638%0.383SS..Hα-helixtrans-64.2-37.1179.6178.40000113.6P45 V46 S52 Q53P45-S49 WeakPolarHBondContact O-CB 3.31Å; P45-S49 PolarHBondContact O-N 2.87Å; P45-S49 VanDerWaalsContact O-N 3.12Å; V46-S49 PolarHBondContact O-N 3.36Å; S49-S52 PolarHBondContact O-OG 2.91Å; S49-Q53 PolarHBondContact O-NE2 3.05Å
50W98.4Very high97.7Very high67 Ų6773.2 Ų73.225%0.25437%0.37SS..Hα-helixtrans-81.7-33.7-178.2-72.312.7000111.9Y19 L27 Y36 V46 A47 E48 S52 Q53 L56Y19-W50 HydrophobicContact CD1-CH2 4.29Å; Y19-W50 HydrophobicContact CD2-CZ3 4.43Å; Y19-W50 AromaticContact CE1-CH2 3.63Å; Y19-W50 HydrophobicContact CE1-CH2 3.63Å; Y19-W50 AromaticContact CE1-CZ3 3.9Å; Y19-W50 HydrophobicContact CE1-CZ3 3.9Å; Y19-W50 HydrophobicContact CE2-CH2 4.38Å; Y19-W50 AromaticContact CE2-CZ3 3.79Å; Y19-W50 HydrophobicContact CE2-CZ3 3.79Å; Y19-W50 AromaticContact CZ-CH2 3.67Å; Y19-W50 AromaticContact CZ-CZ3 3.45Å; Y19-W50 VanDerWaalsContact CZ-CZ3 3.45Å; Y19-W50 WeakPolarHBondContact OH-CZ3 3.35Å; L27-W50 HydrophobicContact CD2-CE3 3.83Å; L27-W50 HydrophobicContact CD2-CH2 4.38Å; L27-W50 HydrophobicContact CD2-CZ3 3.72Å; Y36-W50 AromaticContact CD1-CE3 3.72Å; Y36-W50 HydrophobicContact CD1-CE3 3.72Å; Y36-W50 HydrophobicContact CD1-CZ3 4.17Å; Y36-W50 HydrophobicContact CD2-CB 3.89Å; Y36-W50 HydrophobicContact CD2-CE3 4.18Å; Y36-W50 AromaticContact CE1-CE3 3.33Å; Y36-W50 HydrophobicContact CE1-CE3 3.33Å; Y36-W50 AromaticContact CE1-CZ3 3.51Å; Y36-W50 HydrophobicContact CE1-CZ3 3.51Å; Y36-W50 HydrophobicContact CE2-CB 4.18Å; Y36-W50 AromaticContact CE2-CE3 3.84Å; Y36-W50 HydrophobicContact CE2-CE3 3.84Å; Y36-W50 HydrophobicContact CG-CB 4.35Å; Y36-W50 HydrophobicContact CG-CE3 4.11Å; Y36-W50 AromaticContact CZ-CE3 3.38Å; Y36-W50 AromaticContact CZ-CZ3 3.79Å; V46-W50 HydrophobicContact CG1-CD2 3.81Å; V46-W50 HydrophobicContact CG1-CE3 4.27Å; V46-W50 HydrophobicContact CG1-CG 4.19Å; V46-W50 HydrophobicContact CG1-CH2 4.38Å; V46-W50 HydrophobicContact CG1-CZ2 3.92Å; V46-W50 WeakPolarHBondContact O-CB 3.37Å; V46-W50 PolarHBondContact O-N 3.49Å; A47-W50 PolarHBondContact O-N 3.07Å; E48-W50 PolarHBondContact O-N 3.5Å; W50-S52 VanDerWaalsContact C-N 3.27Å; W50-S52 PolarHBondContact O-N 3.32Å; W50-Q53 PolarHBondContact O-N 3.38Å; W50-L56 HydrophobicContact CB-CD2 3.79Å; W50-L56 HydrophobicContact CD2-CD2 4.11Å; W50-L56 HydrophobicContact CE3-CD2 4.47Å; W50-L56 HydrophobicContact CG-CD2 3.83Å
51N98.5Very high97.7Very high35 Ų3577.6 Ų77.619%0.18738%0.383CS..Hα-helixtrans-70.4-22.8174.8-71.2-22.1000112.9Y36 A47 Q53 L57Y36-N51 WeakPolarHBondContact CB-OD1 3.39Å; Y36-N51 PolarHBondContact N-OD1 3.19Å; Y36-N51 PolarHBondContact O-ND2 2.96Å; A47-N51 WeakPolarHBondContact O-CB 3.18Å; A47-N51 PolarHBondContact O-N 2.98Å; A47-N51 PolarHBondContact O-ND2 3.47Å; N51-Q53 VanDerWaalsContact C-N 3.27Å; N51-L57 VanDerWaalsContact O-CD1 3.3Å; N51-L57 WeakPolarHBondContact O-CD1 3.46Å
52S97.9Very high97.8Very high84 Ų8472.7 Ų72.759%0.58737%0.367SS*.THydrogen-bonded Turntrans-74.5-16.6172.567.70000113.3E48 S49 W50E48-S52 PolarHBondContact O-N 2.88Å; E48-S52 VanDerWaalsContact O-N 3.17Å; S49-S52 PolarHBondContact O-OG 2.91Å; W50-S52 VanDerWaalsContact C-N 3.27Å; W50-S52 PolarHBondContact O-N 3.32Å
53Q98.3Very high97.9Very high92 Ų9271.6 Ų71.643%0.4336%0.356SS..  trans-91.2102.1179.6-67.4172.862.400110.8S49 W50 N51 L56 L57S49-Q53 PolarHBondContact O-NE2 3.05Å; W50-Q53 PolarHBondContact O-N 3.38Å; N51-Q53 VanDerWaalsContact C-N 3.27Å; Q53-L56 HydrophobicContact CB-CB 3.91Å; Q53-L56 PolarHBondContact O-N 3.08Å; Q53-L57 PolarHBondContact O-N 2.84Å
54K97.1Very high97.9Very high139 Ų13972.6 Ų72.660%0.60436%0.362SS*.Hα-helixtrans-63.3-46-175-63.2-58.6-178-171.20113.3L56 L57 E58K54-L56 VanDerWaalsContact C-N 3.26Å; K54-L56 PolarHBondContact O-N 3.47Å; K54-L57 PolarHBondContact O-N 3.08Å; K54-L57 VanDerWaalsContact O-N 3.14Å; K54-E58 WeakPolarHBondContact O-CG 3.38Å; K54-E58 PolarHBondContact O-N 3.47Å
55D97.8Very high97.9Very high135 Ų13571.1 Ų71.172%0.72236%0.363SS*.Hα-helixtrans-59.7-38.2179.8-56.1-17000112Q59D55-Q59 VanDerWaalsContact O-CB 3.31Å; D55-Q59 WeakPolarHBondContact O-CB 3.46Å; D55-Q59 PolarHBondContact O-N 3.32Å
56L97.6Very high97.9Very high38 Ų3871.3 Ų71.320%0.19936%0.36CS..Hα-helixtrans-65.4-47176.817862.9000111.2Y36 W50 Q53 K54 Q59 K60Y36-L56 HydrophobicContact CE2-CD2 4.19Å; Y36-L56 HydrophobicContact CE2-CG 4.28Å; W50-L56 HydrophobicContact CB-CD2 3.79Å; W50-L56 HydrophobicContact CD2-CD2 4.11Å; W50-L56 HydrophobicContact CE3-CD2 4.47Å; W50-L56 HydrophobicContact CG-CD2 3.83Å; Q53-L56 HydrophobicContact CB-CB 3.91Å; Q53-L56 PolarHBondContact O-N 3.08Å; K54-L56 VanDerWaalsContact C-N 3.26Å; K54-L56 PolarHBondContact O-N 3.47Å; L56-Q59 PolarHBondContact O-N 2.68Å; L56-K60 HydrophobicContact CD1-CG 4.26Å; L56-K60 WeakPolarHBondContact O-CB 3.03Å; L56-K60 VanDerWaalsContact O-CG 3.23Å; L56-K60 WeakPolarHBondContact O-CG 3.4Å; L56-K60 PolarHBondContact O-N 3.45Å
57L97.5Very high97.9Very high6 Ų673.8 Ų73.83%0.03137%0.365CS..Hα-helixtrans-62.3-44.4177.8-77.4-178.6000112F29 E35 Y36 N51 Q53 K54 K60 R61F29-L57 HydrophobicContact CD2-CD2 4.49Å; F29-L57 HydrophobicContact CE2-CD2 4.14Å; E35-L57 HydrophobicContact CB-CD2 4.21Å; Y36-L57 HydrophobicContact CD2-CD2 4.01Å; Y36-L57 HydrophobicContact CE2-CD2 4.37Å; N51-L57 VanDerWaalsContact O-CD1 3.3Å; N51-L57 WeakPolarHBondContact O-CD1 3.46Å; Q53-L57 PolarHBondContact O-N 2.84Å; K54-L57 PolarHBondContact O-N 3.08Å; K54-L57 VanDerWaalsContact O-N 3.14Å; L57-K60 PolarHBondContact O-N 2.66Å; L57-R61 WeakPolarHBondContact O-CB 3.09Å; L57-R61 WeakPolarHBondContact O-CG 2.93Å; L57-R61 PolarHBondContact O-N 2.75Å
58E97.4Very high97.9Very high125 Ų12573.4 Ų73.458%0.58436%0.362SS*.Hα-helixtrans-62.8-44.6177.3-72.3-177.317900111.5K54 K60 R61 G62K54-E58 WeakPolarHBondContact O-CG 3.38Å; K54-E58 PolarHBondContact O-N 3.47Å; E58-K60 VanDerWaalsContact C-N 3.3Å; E58-K60 PolarHBondContact O-N 3.05Å; E58-R61 PolarHBondContact O-N 3.03Å; E58-G62 PolarHBondContact O-N 3.04Å
59Q97.5Very high97.9Very high103 Ų10370.6 Ų70.648%0.48135%0.346SS..Hα-helixtrans-58.5-43.2174.4-171.7-16977.700111.5D55 L56 G62 R63D55-Q59 VanDerWaalsContact O-CB 3.31Å; D55-Q59 WeakPolarHBondContact O-CB 3.46Å; D55-Q59 PolarHBondContact O-N 3.32Å; L56-Q59 PolarHBondContact O-N 2.68Å; Q59-G62 PolarHBondContact O-N 3.15Å; Q59-R63 PolarHBondContact O-N 2.87Å
60K97.6Very high97.9Very high20 Ų2073.2 Ų73.29%0.08735%0.352CS..Hα-helixtrans-69.1-39.7-179.2-71.3-76.9167.5173.40112.4Y15 D17 F29 Y36 L56 L57 E58 G62 R63Y15-K60 HydrophobicContact CE1-CD 4.36Å; D17-K60 IonicContact OD2-NZ 3.2Å; D17-K60 PolarHBondContact OD2-NZ 2.95Å; F29-K60 HydrophobicContact CD1-CB 4.12Å; F29-K60 HydrophobicContact CD2-CB 3.88Å; F29-K60 HydrophobicContact CE1-CB 3.87Å; F29-K60 HydrophobicContact CE2-CB 3.62Å; F29-K60 HydrophobicContact CG-CB 4.13Å; F29-K60 HydrophobicContact CZ-CB 3.62Å; Y36-K60 HydrophobicContact CE2-CG 4.17Å; Y36-K60 VanDerWaalsContact OH-CD 3.3Å; Y36-K60 WeakPolarHBondContact OH-CD 3.36Å; Y36-K60 WeakPolarHBondContact OH-CE 3.32Å; Y36-K60 WeakPolarHBondContact OH-CG 3.41Å; L56-K60 HydrophobicContact CD1-CG 4.26Å; L56-K60 WeakPolarHBondContact O-CB 3.03Å; L56-K60 VanDerWaalsContact O-CG 3.23Å; L56-K60 WeakPolarHBondContact O-CG 3.4Å; L56-K60 PolarHBondContact O-N 3.45Å; L57-K60 PolarHBondContact O-N 2.66Å; E58-K60 VanDerWaalsContact C-N 3.3Å; E58-K60 PolarHBondContact O-N 3.05Å; K60-G62 VanDerWaalsContact C-N 3.3Å; K60-G62 PolarHBondContact O-N 3.26Å; K60-R63 VanDerWaalsContact O-CB 3.32Å; K60-R63 WeakPolarHBondContact O-CB 3.42Å; K60-R63 PolarHBondContact O-N 3.32Å
61R97.8Very high97.9Very high123 Ų12373.7 Ų73.746%0.46436%0.359SS..Hα-helixtrans-60-41.3171.8-70.4165.7-175.1178.7-2.2111.3F29 G34 L57 E58 R63F29-R61 HydrophobicContact CZ-CG 3.91Å; G34-R61 VanDerWaalsContact O-CZ 3.28Å; G34-R61 PolarHBondContact O-NE 3.43Å; G34-R61 PolarHBondContact O-NH2 3.04Å; L57-R61 WeakPolarHBondContact O-CB 3.09Å; L57-R61 WeakPolarHBondContact O-CG 2.93Å; L57-R61 PolarHBondContact O-N 2.75Å; E58-R61 PolarHBondContact O-N 3.03Å; R61-R63 PolarHBondContact O-N 2.9Å
62G97.9Very high97.8Very high25 Ų2573.6 Ų73.626%0.25836%0.357SS..THydrogen-bonded Turntrans-66.5-14.1177.100000115.5E58 Q59 K60 V64 D65 N66E58-G62 PolarHBondContact O-N 3.04Å; Q59-G62 PolarHBondContact O-N 3.15Å; K60-G62 VanDerWaalsContact C-N 3.3Å; K60-G62 PolarHBondContact O-N 3.26Å; G62-V64 PolarHBondContact O-N 2.86Å; G62-D65 PolarHBondContact O-N 3.28Å; G62-D65 VanDerWaalsContact O-N 3.16Å; G62-N66 PolarHBondContact O-N 3.46Å; G62-N66 PolarHBondContact O-ND2 2.92Å; G62-N66 PolarHBondContact O-OD1 2.82Å
63R98.3Very high97.8Very high72 Ų7271.9 Ų71.927%0.27235%0.352SS..Hα-helixtrans-63.8-23.4179.1-67.7-60.8-176.5176.90.7113.7Y15 Q59 K60 R61 D65 N66 Y67 C68Y15-R63 HydrophobicContact CD1-CB 3.56Å; Y15-R63 HydrophobicContact CD1-CG 4.29Å; Y15-R63 HydrophobicContact CD2-CB 4.15Å; Y15-R63 HydrophobicContact CE1-CB 3.5Å; Y15-R63 HydrophobicContact CE1-CG 3.74Å; Y15-R63 HydrophobicContact CE2-CB 4.11Å; Y15-R63 HydrophobicContact CG-CB 3.88Å; Q59-R63 PolarHBondContact O-N 2.87Å; K60-R63 VanDerWaalsContact O-CB 3.32Å; K60-R63 WeakPolarHBondContact O-CB 3.42Å; K60-R63 PolarHBondContact O-N 3.32Å; R61-R63 PolarHBondContact O-N 2.9Å; R63-D65 VanDerWaalsContact C-N 3.27Å; R63-D65 PolarHBondContact O-N 2.96Å; R63-N66 WeakPolarHBondContact CA-OD1 3.32Å; R63-N66 WeakPolarHBondContact CD-OD1 3.37Å; R63-Y67 VanDerWaalsContact O-CB 3.31Å; R63-Y67 WeakPolarHBondContact O-CB 3.46Å; R63-Y67 PolarHBondContact O-N 3.47Å; R63-C68 PolarHBondContact O-N 2.8Å
64V98.4Very high97.7Very high20 Ų2071.6 Ų71.612%0.12136%0.356CS..Iπ-helixtrans-56.9-43173.8168.50000110.9V13 G62 C68 R69V13-V64 HydrophobicContact CB-CG1 4.27Å; V13-V64 HydrophobicContact CG1-CG1 4.41Å; G62-V64 PolarHBondContact O-N 2.86Å; V64-C68 WeakPolarHBondContact O-CB 3.48Å; V64-R69 PolarHBondContact O-N 2.79Å; V64-R69 VanDerWaalsContact O-N 3.1Å; V64-R69 PolarHBondContact O-NH1 3Å
65D98.2Very high97.7Very high93 Ų9365.4 Ų65.450%0.49733%0.332SS..Iπ-helixtrans-96-52.5-177.7-61.9-43.8000112.7G62 R63 Y67 R69 H70G62-D65 PolarHBondContact O-N 3.28Å; G62-D65 VanDerWaalsContact O-N 3.16Å; R63-D65 VanDerWaalsContact C-N 3.27Å; R63-D65 PolarHBondContact O-N 2.96Å; D65-Y67 PolarHBondContact O-N 2.85Å; D65-R69 WeakPolarHBondContact OD1-CD 3.4Å; D65-R69 IonicContact OD1-CZ 3.9Å; D65-R69 IonicContact OD1-NE 3.36Å; D65-R69 IonicContact OD1-NH1 2.93Å; D65-R69 PolarHBondContact OD1-NH1 3.14Å; D65-H70 PolarHBondContact O-N 2.83Å; D65-H70 VanDerWaalsContact O-N 3.1Å
66N97.3Very high97.7Very high86 Ų8662 Ų6246%0.4631%0.311SS..Iπ-helixtrans-74.3-15.1-172.172.523.2000113.9G62 R63 H70G62-N66 PolarHBondContact O-N 3.46Å; G62-N66 PolarHBondContact O-ND2 2.92Å; G62-N66 PolarHBondContact O-OD1 2.82Å; R63-N66 WeakPolarHBondContact CA-OD1 3.32Å; R63-N66 WeakPolarHBondContact CD-OD1 3.37Å; N66-H70 WeakPolarHBondContact O-CB 3.24Å
67Y97.6Very high97.6Very high93 Ų9363.9 Ų63.937%0.36533%0.328SS..Iπ-helixtrans-118.6-60.1178.5-178.5-99.5000110.9Y15 R63 D65 N71Y15-Y67 HydrophobicContact CE2-CD1 4.2Å; Y15-Y67 HydrophobicContact CE2-CE1 4.49Å; R63-Y67 VanDerWaalsContact O-CB 3.31Å; R63-Y67 WeakPolarHBondContact O-CB 3.46Å; R63-Y67 PolarHBondContact O-N 3.47Å; D65-Y67 PolarHBondContact O-N 2.85Å; Y67-N71 VanDerWaalsContact CD2-ND2 3.32Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.27Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.01Å; Y67-N71 VanDerWaalsContact O-CB 3.28Å; Y67-N71 WeakPolarHBondContact O-CB 3.35Å; Y67-N71 PolarHBondContact O-N 3.05Å; Y67-N71 PolarHBondContact O-ND2 3.33Å
68C98.3Very high97.4Very high0 Ų069.3 Ų69.30%035%0.351CS..Iπ-helixtrans-68-57.6-174.7-62.30000112.6C4 F6 V13 R63 V64 H70 N71 Y72C4-C68 HydrophobicContact CB-CB 3.64Å; C4-C68 WeakPolarHBondContact CB-SG 3.23Å; C4-C68 WeakPolarHBondContact SG-CA 3.38Å; C4-C68 WeakPolarHBondContact SG-CB 3.48Å; C4-C68 CovalentContact SG-SG 2.04Å; C4-C68 PolarHBondContact SG-SG 3.38Å; F6-C68 HydrophobicContact CE1-CB 4.17Å; F6-C68 HydrophobicContact CZ-CB 4.03Å; F6-C68 WeakPolarHBondContact CZ-O 3.38Å; V13-C68 HydrophobicContact CG1-CB 3.53Å; R63-C68 PolarHBondContact O-N 2.8Å; V64-C68 WeakPolarHBondContact O-CB 3.48Å; C68-H70 VanDerWaalsContact C-N 3.35Å; C68-H70 PolarHBondContact O-N 3.45Å; C68-N71 PolarHBondContact O-N 3.03Å; C68-Y72 WeakPolarHBondContact O-CB 3.25Å; C68-Y72 PolarHBondContact O-N 2.84Å
69R98.4Very high97.4Very high68 Ų6865 Ų6526%0.25733%0.334SS..Iπ-helixtrans-63.9-40.9178.7-71.4-169.8177.768.94.1112.4T10 E11 V13 V64 D65 Y72 G73T10-R69 HydrophobicContact CG2-CG 4.35Å; T10-R69 PolarHBondContact O-NE 3.48Å; T10-R69 PolarHBondContact O-NH2 2.83Å; E11-R69 PolarHBondContact O-NH2 3.47Å; V13-R69 HydrophobicContact CG2-CG 4.05Å; V13-R69 VanDerWaalsContact CG2-CZ 3.48Å; V64-R69 PolarHBondContact O-N 2.79Å; V64-R69 VanDerWaalsContact O-N 3.1Å; V64-R69 PolarHBondContact O-NH1 3Å; D65-R69 WeakPolarHBondContact OD1-CD 3.4Å; D65-R69 IonicContact OD1-CZ 3.9Å; D65-R69 IonicContact OD1-NE 3.36Å; D65-R69 IonicContact OD1-NH1 2.93Å; D65-R69 PolarHBondContact OD1-NH1 3.14Å; R69-Y72 PolarHBondContact O-N 3.02Å; R69-G73 PolarHBondContact O-N 3.03Å
70H97.7Very high97.3Very high114 Ų11463 Ų6353%0.52833%0.328SS..Hα-helixtrans-55.6-54.7175.8179.472.8000112D65 N66 C68 Y72 G73 V74D65-H70 PolarHBondContact O-N 2.83Å; D65-H70 VanDerWaalsContact O-N 3.1Å; N66-H70 WeakPolarHBondContact O-CB 3.24Å; C68-H70 VanDerWaalsContact C-N 3.35Å; C68-H70 PolarHBondContact O-N 3.45Å; H70-Y72 VanDerWaalsContact C-N 3.35Å; H70-Y72 PolarHBondContact O-N 2.77Å; H70-G73 PolarHBondContact O-N 2.96Å; H70-V74 WeakPolarHBondContact O-CG2 3.39Å; H70-V74 PolarHBondContact O-N 2.95Å
71N98.1Very high97.2Very high76 Ų7667.4 Ų67.441%0.40635%0.349SS..Hα-helixtrans-68.5-33.1-179.5-75-70000112.7Y67 C68 V74 G75Y67-N71 VanDerWaalsContact CD2-ND2 3.32Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.27Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.01Å; Y67-N71 VanDerWaalsContact O-CB 3.28Å; Y67-N71 WeakPolarHBondContact O-CB 3.35Å; Y67-N71 PolarHBondContact O-N 3.05Å; Y67-N71 PolarHBondContact O-ND2 3.33Å; C68-N71 PolarHBondContact O-N 3.03Å; N71-V74 PolarHBondContact O-N 2.83Å; N71-G75 PolarHBondContact O-N 3.08Å
72Y97.9Very high97.2Very high34 Ų3465.9 Ų65.913%0.13334%0.343CS..Hα-helixtrans-57.9-51.2171.6-176.1-77.6000110.3F6 T10 C68 R69 H70 V74 G75 E76 V80F6-Y72 HydrophobicContact CB-CD2 4.5Å; F6-Y72 HydrophobicContact CB-CE2 4.39Å; F6-Y72 AromaticContact CD1-CD2 3.49Å; F6-Y72 HydrophobicContact CD1-CD2 3.49Å; F6-Y72 VanDerWaalsContact CD1-CD2 3.49Å; F6-Y72 HydrophobicContact CD1-CE2 4.12Å; F6-Y72 HydrophobicContact CD1-CG 4.15Å; F6-Y72 HydrophobicContact CD2-CD2 4.06Å; F6-Y72 AromaticContact CE1-CD2 3.58Å; F6-Y72 HydrophobicContact CE1-CD2 3.58Å; F6-Y72 AromaticContact CE1-CG 3.9Å; F6-Y72 HydrophobicContact CE1-CG 3.9Å; F6-Y72 HydrophobicContact CE2-CD2 4.11Å; F6-Y72 AromaticContact CG-CD2 3.76Å; F6-Y72 HydrophobicContact CG-CD2 3.76Å; F6-Y72 HydrophobicContact CG-CE2 4.13Å; F6-Y72 AromaticContact CZ-CD2 3.89Å; F6-Y72 HydrophobicContact CZ-CD2 3.89Å; F6-Y72 HydrophobicContact CZ-CG 4.3Å; T10-Y72 HydrophobicContact CG2-CD1 3.3Å; T10-Y72 HydrophobicContact CG2-CD2 4.13Å; T10-Y72 HydrophobicContact CG2-CE1 3.67Å; T10-Y72 HydrophobicContact CG2-CE2 4.43Å; T10-Y72 HydrophobicContact CG2-CG 3.57Å; C68-Y72 WeakPolarHBondContact O-CB 3.25Å; C68-Y72 PolarHBondContact O-N 2.84Å; R69-Y72 PolarHBondContact O-N 3.02Å; H70-Y72 VanDerWaalsContact C-N 3.35Å; H70-Y72 PolarHBondContact O-N 2.77Å; Y72-V74 VanDerWaalsContact C-N 3.32Å; Y72-V74 PolarHBondContact O-N 2.89Å; Y72-G75 CarbonylContact O-C 3.57Å; Y72-G75 PolarHBondContact O-N 2.75Å; Y72-G75 VanDerWaalsContact O-N 3.13Å; Y72-E76 HydrophobicContact CD1-CB 4.33Å; Y72-E76 HydrophobicContact CE1-CB 4.13Å; Y72-E76 HydrophobicContact CE1-CG 3.95Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.41Å; Y72-E76 WeakPolarHBondContact O-CA 3.29Å; Y72-E76 VanDerWaalsContact O-CB 3.26Å; Y72-E76 WeakPolarHBondContact O-CB 3.43Å; Y72-E76 PolarHBondContact O-N 2.82Å; Y72-E76 PolarHBondContact OH-OE1 3.01Å; Y72-V80 HydrophobicContact CE2-CG2 3.79Å
73G97.1Very high97.2Very high48 Ų4870 Ų7050%0.49535%0.351SS..Hα-helixtrans-61.9-37.8179.800000113.4R69 H70R69-G73 PolarHBondContact O-N 3.03Å; H70-G73 PolarHBondContact O-N 2.96Å
74V97.3Very high97.2Very high86 Ų8668.5 Ų68.552%0.52135%0.35SS..Hα-helixtrans-66.3-40.9174.2173.80000111.4H70 N71 Y72 F78H70-V74 WeakPolarHBondContact O-CG2 3.39Å; H70-V74 PolarHBondContact O-N 2.95Å; N71-V74 PolarHBondContact O-N 2.83Å; Y72-V74 VanDerWaalsContact C-N 3.32Å; Y72-V74 PolarHBondContact O-N 2.89Å; V74-F78 VanDerWaalsContact O-CE1 3.25Å; V74-F78 WeakPolarHBondContact O-CE1 3.37Å
75G96.6Very high97.2Very high8 Ų872.6 Ų72.68%0.08237%0.368CS..Hα-helixtrans-88.9-15.8-173.200000115.9N71 Y72 S77 F78 T79N71-G75 PolarHBondContact O-N 3.08Å; Y72-G75 CarbonylContact O-C 3.57Å; Y72-G75 PolarHBondContact O-N 2.75Å; Y72-G75 VanDerWaalsContact O-N 3.13Å; G75-S77 VanDerWaalsContact C-N 3.32Å; G75-S77 PolarHBondContact O-N 2.98Å; G75-F78 PolarHBondContact O-N 2.84Å; G75-T79 WeakPolarHBondContact O-CB 3.38Å; G75-T79 PolarHBondContact O-N 2.92Å; G75-T79 PolarHBondContact O-OG1 3.46Å
76E96.4Very high97.2Very high64 Ų6468.5 Ų68.530%0.29935%0.346SS..Hα-helixtrans-55.9-45.4-165-179.6171.1-14400112.6Y72 F78 T79 V80 Q81Y72-E76 HydrophobicContact CD1-CB 4.33Å; Y72-E76 HydrophobicContact CE1-CB 4.13Å; Y72-E76 HydrophobicContact CE1-CG 3.95Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.41Å; Y72-E76 WeakPolarHBondContact O-CA 3.29Å; Y72-E76 VanDerWaalsContact O-CB 3.26Å; Y72-E76 WeakPolarHBondContact O-CB 3.43Å; Y72-E76 PolarHBondContact O-N 2.82Å; Y72-E76 PolarHBondContact OH-OE1 3.01Å; E76-F78 VanDerWaalsContact C-N 3.32Å; E76-F78 PolarHBondContact O-N 2.72Å; E76-T79 PolarHBondContact O-N 3.11Å; E76-V80 HydrophobicContact CG-CB 4.19Å; E76-V80 PolarHBondContact O-N 3.15Å; E76-Q81 HydrophobicContact CG-CG 4.04Å; E76-Q81 PolarHBondContact O-N 2.82Å
77S95.9Very high97.2Very high77 Ų7770.6 Ų70.654%0.53835%0.353SS..Hα-helixtrans-61.6-36.6-175.660.50000113.2G75G75-S77 VanDerWaalsContact C-N 3.32Å; G75-S77 PolarHBondContact O-N 2.98Å
78F94.9Very high97.3Very high120 Ų12067.4 Ų67.453%0.52634%0.343SS..Hα-helixtrans-107.5-2.3-175.962.3-96.7000114.4V74 G75 E76 R82V74-F78 VanDerWaalsContact O-CE1 3.25Å; V74-F78 WeakPolarHBondContact O-CE1 3.37Å; G75-F78 PolarHBondContact O-N 2.84Å; E76-F78 VanDerWaalsContact C-N 3.32Å; E76-F78 PolarHBondContact O-N 2.72Å; F78-R82 WeakPolarHBondContact O-CB 3.39Å; F78-R82 WeakPolarHBondContact O-CD 3.45Å
79T96.2Very high97.2Very high35 Ų3571 Ų7122%0.21537%0.365CS..Hα-helixtrans-116.4-60.1176.259.70000112.6G75 E76 Y112 W142G75-T79 WeakPolarHBondContact O-CB 3.38Å; G75-T79 PolarHBondContact O-N 2.92Å; G75-T79 PolarHBondContact O-OG1 3.46Å; E76-T79 PolarHBondContact O-N 3.11Å; T79-Y112 VanDerWaalsContact O-CE1 3.24Å; T79-Y112 WeakPolarHBondContact O-CE1 3.32Å; T79-Y112 PolarHBondContact O-OH 3.24Å; T79-W142 HydrophobicContact CG2-CH2 4.08Å; T79-W142 HydrophobicContact CG2-CZ3 4Å
80V96.1Very high97.1Very high60 Ų6068.7 Ų68.736%0.36436%0.359SS..THydrogen-bonded Turntrans-79.7-44.9-174.4-179.40000111.1Y72 E76 R82 R83Y72-V80 HydrophobicContact CE2-CG2 3.79Å; E76-V80 HydrophobicContact CG-CB 4.19Å; E76-V80 PolarHBondContact O-N 3.15Å; V80-R82 VanDerWaalsContact C-N 3.33Å; V80-R83 PolarHBondContact O-NH1 2.85Å
81Q96Very high96.8Very high113 Ų11368 Ų6853%0.52835%0.352SS..SBendtrans-84.8-9-179.1-64178.90.600112.8E76 R83E76-Q81 HydrophobicContact CG-CG 4.04Å; E76-Q81 PolarHBondContact O-N 2.82Å; Q81-R83 PolarHBondContact O-N 2.86Å
82R97.3Very high96.5Very high91 Ų9167.5 Ų67.534%0.34335%0.353SS..  trans-56.8131.3177.5178.1-178.7175.586.7-1.8110.4F78 V80 V84 Y112F78-R82 WeakPolarHBondContact O-CB 3.39Å; F78-R82 WeakPolarHBondContact O-CD 3.45Å; V80-R82 VanDerWaalsContact C-N 3.33Å; R82-V84 HydrophobicContact CG-CG2 4.35Å; R82-Y112 HydrophobicContact CB-CD1 3.93Å; R82-Y112 HydrophobicContact CB-CE1 3.78Å; R82-Y112 HydrophobicContact CG-CD1 3.72Å; R82-Y112 HydrophobicContact CG-CE1 4.02Å; R82-Y112 HydrophobicContact CG-CG 4.45Å; R82-Y112 VanDerWaalsContact O-CD1 3.3Å; R82-Y112 WeakPolarHBondContact O-CD1 3.28Å
83R97.9Very high95.8Very high112 Ų11267.3 Ų67.342%0.42336%0.359SS..  trans-132.6129.3174.8-64.3-61.5176.3-95.2-1.2109.2V80 Q81 Y112V80-R83 PolarHBondContact O-NH1 2.85Å; Q81-R83 PolarHBondContact O-N 2.86Å; R83-Y112 CarbonylContact C-O 3.59Å; R83-Y112 WeakPolarHBondContact CA-O 3.41Å
84V98.2Very high94.6Very high40 Ų4072.6 Ų72.624%0.24237%0.368CS..BIsolated β-bridgetrans-129.4130.8174.7-171.50000108.4R82 G110 F111 Y112 H166R82-V84 HydrophobicContact CG-CG2 4.35Å; V84-G110 WeakPolarHBondContact CG1-O 3.41Å; V84-F111 WeakPolarHBondContact O-CA 3.31Å; V84-Y112 PolarHBondContact N-O 2.74Å; V84-Y112 PolarHBondContact O-N 2.87Å; V84-H166 PolarHBondContact O-CE1 2.02Å
85H97.7Very high92.7Very high107 Ų10771 Ų7150%0.49536%0.358SS..PPolyproline II helixtrans-73.1136.7-174.5-72.163.6000111.8S168 V169H85-S168 WeakPolarHBondContact CA-OG 3.4Å; H85-S168 PolarHBondContact CE1-O 3.2Å; H85-S168 PolarHBondContact NE2-O 2.88Å; H85-S168 VanDerWaalsContact NE2-O 3.11Å; H85-V169 WeakPolarHBondContact CD2-CG1 3.46Å
86P98.4Very high90.9Very high7 Ų776.6 Ų76.65%0.04538%0.382CS..PPolyproline II helixtrans-69140.2172.325.3-30.4000111.6V88 V108 F111 V164 H166 L173P86-V88 HydrophobicContact CB-CG2 4.38Å; P86-V108 HydrophobicContact CB-CG1 3.52Å; P86-F111 HydrophobicContact CB-CB 3.76Å; P86-F111 HydrophobicContact CB-CD1 4.1Å; P86-F111 HydrophobicContact CB-CG 4.22Å; P86-F111 HydrophobicContact CG-CB 4.38Å; P86-V164 HydrophobicContact CG-CG1 4.16Å; P86-H166 HydrophobicContact CG-CB 4.23Å; P86-L173 HydrophobicContact CG-CD1 3.66Å
87Q98.1Very high89Confident130 Ų13079.9 Ų79.961%0.60741%0.409SS*.EExtended strand (participates in β ladder)trans-88.4124.9160.3-63.3-61.2-44.400108.1V108 S109Q87-V108 WeakPolarHBondContact O-CA 3.42Å; Q87-S109 PolarHBondContact N-O 3.47Å; Q87-S109 PolarHBondContact O-N 2.6Å
88V98.4Very high86.9Confident25 Ų2583.7 Ų83.715%0.15242%0.423CS..EExtended strand (participates in β ladder)trans-114.9126.6-176.6-172.80000108.9P86 S107 V108 V164 L173 V175P86-V88 HydrophobicContact CB-CG2 4.38Å; V88-S107 WeakPolarHBondContact CA-O 3.29Å; V88-V108 HydrophobicContact CG1-CG2 4.43Å; V88-V108 HydrophobicContact CG2-CG1 4.33Å; V88-V164 HydrophobicContact CG1-CG2 4.03Å; V88-V164 HydrophobicContact CG2-CB 4.23Å; V88-V164 HydrophobicContact CG2-CG2 3.78Å; V88-L173 HydrophobicContact CG2-CB 4.48Å; V88-L173 HydrophobicContact CG2-CD1 4.07Å; V88-V175 HydrophobicContact CB-CG2 3.83Å; V88-V175 HydrophobicContact CG1-CB 4.19Å; V88-V175 HydrophobicContact CG1-CG2 3.58Å
89T97.4Very high84.9Confident77 Ų7782.5 Ų82.547%0.47242%0.419SS..EExtended strand (participates in β ladder)trans-135.8132.8176.4-54.50000109.7Y91 S107T89-Y91 HydrophobicContact CG2-CD1 4.19Å; T89-S107 PolarHBondContact N-O 3Å; T89-S107 PolarHBondContact O-N 2.95Å
90V96.4Very high83Confident19 Ų1988.6 Ų88.612%0.11545%0.445CS..EExtended strand (participates in β ladder)trans-112.2127.8176.1177.20000110V105 C106 W120 C162 V175 W177V90-V105 VanDerWaalsContact CA-O 3.31Å; V90-V105 WeakPolarHBondContact CA-O 3.1Å; V90-C106 HydrophobicContact CG2-CB 4.28Å; V90-W120 HydrophobicContact CG1-CH2 3.64Å; V90-W120 HydrophobicContact CG1-CZ3 4.27Å; V90-W120 HydrophobicContact CG2-CH2 4.19Å; V90-C162 HydrophobicContact CG2-CB 3.59Å; V90-V175 HydrophobicContact CB-CG1 4Å; V90-V175 HydrophobicContact CG2-CB 3.93Å; V90-V175 HydrophobicContact CG2-CG1 3.7Å; V90-W177 HydrophobicContact CB-CB 4.33Å; V90-W177 HydrophobicContact CG1-CB 3.53Å; V90-W177 HydrophobicContact CG1-CG 4.02Å
91Y91.6Very high81.2Confident98 Ų9889.6 Ų89.638%0.38445%0.445SS..EExtended strand (participates in β ladder)trans-148.5151.7177.559.2-88.7000111.9T89 V105T89-Y91 HydrophobicContact CG2-CD1 4.19Å; Y91-V105 HydrophobicContact CD2-CB 4.27Å; Y91-V105 HydrophobicContact CE1-CB 4.25Å; Y91-V105 HydrophobicContact CE1-CG1 4.16Å; Y91-V105 HydrophobicContact CE2-CB 3.86Å; Y91-V105 HydrophobicContact CE2-CG1 4.24Å; Y91-V105 HydrophobicContact CE2-CG2 4.1Å; Y91-V105 PolarHBondContact N-O 2.86Å; Y91-V105 PolarHBondContact O-N 2.93Å
92P90.1Very high80.1Confident67 Ų6786.8 Ų86.844%0.43543%0.434SS..EExtended strand (participates in β ladder)trans-79.2138.7172.232.5-32000110.7L103 L104 W177P92-L103 CarbonylContact C-O 3.55Å; P92-L103 WeakPolarHBondContact CA-O 3.37Å; P92-L104 HydrophobicContact CB-CD2 4.06Å; P92-W177 HydrophobicContact CB-CZ2 4.26Å; P92-W177 HydrophobicContact CG-CZ2 4.23Å
93A84.7Confident79.6Confident30 Ų3084 Ų8425%0.24843%0.426CS..EExtended strand (participates in β ladder)trans-121.6137.8170.200000109.4L103 V105A93-L103 HydrophobicContact CB-CB 4.38Å; A93-L103 PolarHBondContact N-O 3.36Å; A93-L103 WeakPolarHBondContact O-CB 3.42Å; A93-L103 PolarHBondContact O-N 2.93Å; A93-V105 HydrophobicContact CB-CG2 3.78Å
94K71.3Confident79.4Confident159 Ų15978.7 Ų78.769%0.69141%0.406SS*.EExtended strand (participates in β ladder)trans-89.7126.3175.6-65.9-172.6177.3-172.30108.8
95T58.2Low79.3Confident52 Ų5277.1 Ų77.132%0.31940%0.396SS..SBendtrans-83.1-17.1-176.943.80000114.2Q99 L103T95-Q99 PolarHBondContact OG1-OE1 3.15Å; T95-Q99 VanDerWaalsContact OG1-OE1 3.05Å; T95-L103 HydrophobicContact CG2-CB 3.8Å; T95-L103 HydrophobicContact CG2-CD2 3.96Å; T95-L103 HydrophobicContact CG2-CG 4.34Å
96Q58.2Low79.3Confident125 Ų12572 Ų7258%0.58437%0.373SS*.  trans179.8158.6166.2-103.7154.642.200108.2L98 Q99Q96-L98 PolarHBondContact O-N 2.86Å; Q96-Q99 PolarHBondContact O-N 2.87Å
97P55.9Low79.3Confident134 Ų13472.8 Ų72.887%0.8738%0.378SS*.THydrogen-bonded Turntrans-59.3-20.8-179-22.832.4000115.3
98L51.1Low79.3Confident156 Ų15666.6 Ų66.682%0.81735%0.349SS*.THydrogen-bonded Turntrans-101.1-12.6-172.4-74.3156.2000114.2Q96Q96-L98 PolarHBondContact O-N 2.86Å
99Q53.2Low79.3Confident95 Ų9567.2 Ų67.244%0.44436%0.355SS..  trans-92.1131.6179.4-75.5-179.3-17.100110.5T95 Q96 H101T95-Q99 PolarHBondContact OG1-OE1 3.15Å; T95-Q99 VanDerWaalsContact OG1-OE1 3.05Å; Q96-Q99 PolarHBondContact O-N 2.87Å; Q99-H101 PolarHBondContact O-N 2.99Å
100H56.5Low79.3Confident163 Ų16364.7 Ų64.776%0.75534%0.344SS*.  trans-79.6-0.9176.3-67.755.7000112.4
101H59.3Low79.4Confident81 Ų8163.8 Ų63.838%0.37534%0.338SS..PPolyproline II helixtrans-83.9129.1176.7-58.5-67.6000109.6Q99 E151 V153Q99-H101 PolarHBondContact O-N 2.99Å; H101-E151 HydrophobicContact CB-CG 4.24Å; H101-E151 IonicContact CG-OE1 3.87Å; H101-V153 WeakPolarHBondContact ND1-CG2 3.43Å
102N72Confident79.7Confident55 Ų5561.1 Ų61.129%0.29433%0.328SS..EExtended strand (participates in β ladder)trans-98.2133.6169.2-73.5-44.7000107.9T152 P154N102-T152 CarbonylContact C-O 3.56Å; N102-T152 PolarHBondContact N-O 2.67Å; N102-T152 PolarHBondContact O-N 2.81Å; N102-T152 VanDerWaalsContact O-N 3.08Å; N102-P154 HydrophobicContact CB-CG 4.16Å
103L87.1Confident80.1Confident33 Ų3359.2 Ų59.217%0.17332%0.315CS..EExtended strand (participates in β ladder)trans-92.3117.1172.8-165.971.4000107.9P92 A93 T95 V105 M149 E151P92-L103 CarbonylContact C-O 3.55Å; P92-L103 WeakPolarHBondContact CA-O 3.37Å; A93-L103 HydrophobicContact CB-CB 4.38Å; A93-L103 PolarHBondContact N-O 3.36Å; A93-L103 WeakPolarHBondContact O-CB 3.42Å; A93-L103 PolarHBondContact O-N 2.93Å; T95-L103 HydrophobicContact CG2-CB 3.8Å; T95-L103 HydrophobicContact CG2-CD2 3.96Å; T95-L103 HydrophobicContact CG2-CG 4.34Å; L103-V105 HydrophobicContact CD2-CG2 4.19Å; L103-V105 HydrophobicContact CG-CG2 4.28Å; L103-M149 HydrophobicContact CD1-CB 3.86Å; L103-M149 HydrophobicContact CD2-CB 4.14Å; L103-M149 HydrophobicContact CD2-CG 4.13Å; L103-M149 HydrophobicContact CD2-SD 3.89Å; L103-M149 HydrophobicContact CG-CB 3.99Å; L103-M149 HydrophobicContact CG-CG 4.43Å; L103-E151 HydrophobicContact CD1-CB 4.33Å
104L93.1Very high80.7Confident0 Ų058.6 Ų58.60%031%0.312CS..EExtended strand (participates in β ladder)trans-86.6123.6168.2-71.2177.6000108.6P92 W120 M149 L150 T152 Y160 W177P92-L104 HydrophobicContact CB-CD2 4.06Å; L104-W120 HydrophobicContact CB-CH2 3.85Å; L104-W120 HydrophobicContact CB-CZ2 4.08Å; L104-M149 CarbonylContact O-C 3.58Å; L104-M149 VanDerWaalsContact O-CA 3.28Å; L104-M149 WeakPolarHBondContact O-CA 3.27Å; L104-L150 HydrophobicContact CB-CB 4.41Å; L104-L150 PolarHBondContact N-O 3.2Å; L104-L150 PolarHBondContact O-N 2.83Å; L104-T152 HydrophobicContact CD1-CG2 4.01Å; L104-T152 HydrophobicContact CG-CG2 4.22Å; L104-Y160 HydrophobicContact CD1-CD1 3.63Å; L104-Y160 HydrophobicContact CD1-CD2 3.79Å; L104-Y160 HydrophobicContact CD1-CE1 4.12Å; L104-Y160 HydrophobicContact CD1-CE2 4.29Å; L104-Y160 HydrophobicContact CD1-CG 3.43Å; L104-Y160 VanDerWaalsContact CD1-CG 3.43Å; L104-W177 HydrophobicContact CD1-CD2 4.43Å; L104-W177 HydrophobicContact CD1-CE3 3.72Å; L104-W177 HydrophobicContact CD1-CZ3 3.9Å; L104-W177 HydrophobicContact CD2-CD2 3.66Å; L104-W177 HydrophobicContact CD2-CE3 3.66Å; L104-W177 HydrophobicContact CD2-CG 4.31Å; L104-W177 HydrophobicContact CD2-CH2 3.94Å; L104-W177 HydrophobicContact CD2-CZ2 3.95Å; L104-W177 HydrophobicContact CD2-CZ3 3.8Å; L104-W177 HydrophobicContact CG-CE3 4.36Å; L104-W177 HydrophobicContact CG-CZ3 4.42Å
105V95.9Very high82Confident7 Ų755.1 Ų55.14%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-107.5122.1-177.8-174.30000108.6V90 Y91 A93 L103 L147 M149V90-V105 VanDerWaalsContact CA-O 3.31Å; V90-V105 WeakPolarHBondContact CA-O 3.1Å; Y91-V105 HydrophobicContact CD2-CB 4.27Å; Y91-V105 HydrophobicContact CE1-CB 4.25Å; Y91-V105 HydrophobicContact CE1-CG1 4.16Å; Y91-V105 HydrophobicContact CE2-CB 3.86Å; Y91-V105 HydrophobicContact CE2-CG1 4.24Å; Y91-V105 HydrophobicContact CE2-CG2 4.1Å; Y91-V105 PolarHBondContact N-O 2.86Å; Y91-V105 PolarHBondContact O-N 2.93Å; A93-V105 HydrophobicContact CB-CG2 3.78Å; L103-V105 HydrophobicContact CD2-CG2 4.19Å; L103-V105 HydrophobicContact CG-CG2 4.28Å; V105-L147 HydrophobicContact CG1-CB 4.47Å; V105-L147 HydrophobicContact CG1-CD2 4.27Å; V105-M149 HydrophobicContact CG1-CG 4.28Å; V105-M149 HydrophobicContact CG2-CG 4.24Å
106C98Very high83.9Confident0 Ų054.6 Ų54.60%030%0.303CS..EExtended strand (participates in β ladder)trans-97.8104.4164.2-174.50000108.4V90 W120 V148 C162V90-C106 HydrophobicContact CG2-CB 4.28Å; C106-W120 HydrophobicContact CB-CH2 4.17Å; C106-W120 HydrophobicContact CB-CZ2 3.54Å; C106-V148 WeakPolarHBondContact CB-O 3.34Å; C106-V148 PolarHBondContact N-O 2.93Å; C106-V148 PolarHBondContact O-N 3.41Å; C106-C162 HydrophobicContact CB-CB 3.63Å; C106-C162 WeakPolarHBondContact CB-SG 3.05Å; C106-C162 WeakPolarHBondContact SG-CB 3.3Å; C106-C162 CovalentContact SG-SG 2.02Å; C106-C162 PolarHBondContact SG-SG 3.41Å
107S98.2Very high85.8Confident22 Ų2253 Ų5315%0.15430%0.295CS..EExtended strand (participates in β ladder)trans-89.4119.5175.5-178.70000109.4V88 T89V88-S107 WeakPolarHBondContact CA-O 3.29Å; T89-S107 PolarHBondContact N-O 3Å; T89-S107 PolarHBondContact O-N 2.95Å
108V98.6Very high87.8Confident0 Ų047.9 Ų47.90%026%0.262CS..EExtended strand (participates in β ladder)trans-119.6115.3178.6-170.30000108.2P86 Q87 V88 F111 I116 V118 Q145 T146 V164P86-V108 HydrophobicContact CB-CG1 3.52Å; Q87-V108 WeakPolarHBondContact O-CA 3.42Å; V88-V108 HydrophobicContact CG1-CG2 4.43Å; V88-V108 HydrophobicContact CG2-CG1 4.33Å; V108-F111 HydrophobicContact CB-CE1 4.38Å; V108-F111 HydrophobicContact CG1-CD1 3.92Å; V108-F111 HydrophobicContact CG1-CE1 3.91Å; V108-F111 WeakPolarHBondContact O-CE1 3.41Å; V108-I116 HydrophobicContact CG1-CD1 3.58Å; V108-V118 HydrophobicContact CG2-CG1 4.33Å; V108-V118 HydrophobicContact CG2-CG2 4.07Å; V108-Q145 CarbonylContact O-C 3.49Å; V108-Q145 VanDerWaalsContact O-CA 3.23Å; V108-Q145 WeakPolarHBondContact O-CA 3.35Å; V108-T146 HydrophobicContact CB-CG2 3.97Å; V108-T146 PolarHBondContact N-O 3.16Å; V108-T146 PolarHBondContact O-N 2.79Å; V108-V164 HydrophobicContact CG1-CG1 4.1Å; V108-V164 HydrophobicContact CG1-CG2 4.46Å; V108-V164 HydrophobicContact CG2-CG2 3.8Å
109S98.3Very high90Very high39 Ų3943.2 Ų43.227%0.27323%0.233SC..EExtended strand (participates in β ladder)trans-139.5156.3-168.859.30000113.6Q87Q87-S109 PolarHBondContact N-O 3.47Å; Q87-S109 PolarHBondContact O-N 2.6Å
110G98Very high92.2Very high24 Ų2438.8 Ų38.825%0.24721%0.212CC..EExtended strand (participates in β ladder)trans77.718.8170.100000114.2V84 F144V84-G110 WeakPolarHBondContact CG1-O 3.41Å; G110-F144 PolarHBondContact N-O 3.17Å
111F98.6Very high94.2Very high0 Ų032.9 Ų32.90%018%0.184CC..EExtended strand (participates in β ladder)trans-99.7159.6-175.662.8-88.6000113.3V84 P86 V108 P113 I116 L136 T143 F144 T146 H166V84-F111 WeakPolarHBondContact O-CA 3.31Å; P86-F111 HydrophobicContact CB-CB 3.76Å; P86-F111 HydrophobicContact CB-CD1 4.1Å; P86-F111 HydrophobicContact CB-CG 4.22Å; P86-F111 HydrophobicContact CG-CB 4.38Å; V108-F111 HydrophobicContact CB-CE1 4.38Å; V108-F111 HydrophobicContact CG1-CD1 3.92Å; V108-F111 HydrophobicContact CG1-CE1 3.91Å; V108-F111 WeakPolarHBondContact O-CE1 3.41Å; F111-P113 WeakPolarHBondContact CD2-O 3.27Å; F111-I116 HydrophobicContact CD1-CD1 3.98Å; F111-I116 HydrophobicContact CD2-CB 4.48Å; F111-I116 HydrophobicContact CD2-CD1 3.87Å; F111-I116 HydrophobicContact CE1-CD1 3.78Å; F111-I116 HydrophobicContact CE2-CB 3.87Å; F111-I116 HydrophobicContact CE2-CD1 3.68Å; F111-I116 HydrophobicContact CE2-CG1 4.39Å; F111-I116 HydrophobicContact CE2-CG2 3.79Å; F111-I116 HydrophobicContact CG-CD1 4.03Å; F111-I116 HydrophobicContact CZ-CB 4.27Å; F111-I116 HydrophobicContact CZ-CD1 3.64Å; F111-I116 HydrophobicContact CZ-CG2 3.81Å; F111-L136 HydrophobicContact CE2-CD1 3.85Å; F111-L136 HydrophobicContact CZ-CD1 3.73Å; F111-T143 CarbonylContact O-C 3.55Å; F111-T143 WeakPolarHBondContact O-CA 3.36Å; F111-F144 WeakPolarHBondContact CD1-O 3.47Å; F111-F144 HydrophobicContact CD2-CB 4.11Å; F111-F144 HydrophobicContact CE1-CB 4.25Å; F111-F144 HydrophobicContact CE2-CB 3.67Å; F111-F144 HydrophobicContact CE2-CG 4.5Å; F111-F144 HydrophobicContact CZ-CB 3.75Å; F111-F144 PolarHBondContact N-O 2.77Å; F111-F144 PolarHBondContact O-N 3.11Å; F111-T146 HydrophobicContact CE1-CG2 4.23Å; F111-T146 HydrophobicContact CZ-CG2 4.17Å; F111-H166 AromaticContact CD2-CD2 3.87Å; F111-H166 AromaticContact CD2-NE2 3.73Å
112Y98.4Very high95.9Very high41 Ų4132.4 Ų32.416%0.16118%0.179CC..BIsolated β-bridgetrans-156.6138.4172.5-176.7-79.6000109.4T79 R82 R83 V84 W142 F144 H166T79-Y112 VanDerWaalsContact O-CE1 3.24Å; T79-Y112 WeakPolarHBondContact O-CE1 3.32Å; T79-Y112 PolarHBondContact O-OH 3.24Å; R82-Y112 HydrophobicContact CB-CD1 3.93Å; R82-Y112 HydrophobicContact CB-CE1 3.78Å; R82-Y112 HydrophobicContact CG-CD1 3.72Å; R82-Y112 HydrophobicContact CG-CE1 4.02Å; R82-Y112 HydrophobicContact CG-CG 4.45Å; R82-Y112 VanDerWaalsContact O-CD1 3.3Å; R82-Y112 WeakPolarHBondContact O-CD1 3.28Å; R83-Y112 CarbonylContact C-O 3.59Å; R83-Y112 WeakPolarHBondContact CA-O 3.41Å; V84-Y112 PolarHBondContact N-O 2.74Å; V84-Y112 PolarHBondContact O-N 2.87Å; Y112-W142 WeakPolarHBondContact CD2-O 3.18Å; Y112-W142 HydrophobicContact CE2-CE3 4.33Å; Y112-F144 HydrophobicContact CD2-CD2 4.11Å; Y112-F144 AromaticContact CD2-CE2 3.57Å; Y112-F144 HydrophobicContact CD2-CE2 3.57Å; Y112-F144 AromaticContact CE2-CE2 3.95Å; Y112-F144 HydrophobicContact CE2-CE2 3.95Å; Y112-F144 HydrophobicContact CG-CE2 4.46Å; Y112-H166 PolarHBondContact O-CE1 2.64Å
113P98.1Very high97Very high27 Ų2734.3 Ų34.318%0.17519%0.189CC..SBendcis-75.4-179.74.333.9-39.1000113F111 S115 H166 P167F111-P113 WeakPolarHBondContact CD2-O 3.27Å; P113-S115 PolarHBondContact O-N 2.98Å; P113-H166 PolarHBondContact O-NE2 2.85Å; P113-P167 HydrophobicContact CG-CG 4.44Å
114G97.6Very high97.3Very high17 Ų1735.4 Ų35.418%0.17521%0.209CC..SBendtrans-71.6-13.3-178.300000115.5I116 L136 F144G114-I116 PolarHBondContact O-N 3.04Å; G114-L136 WeakPolarHBondContact O-CD1 3.26Å; G114-F144 VanDerWaalsContact N-CE2 3.32Å
115S96.9Very high97.5Very high86 Ų8642.5 Ų42.560%0.60124%0.242SC*.  trans-71.1112.5178.2-1750000110.2P113 H166 P167P113-S115 PolarHBondContact O-N 2.98Å; S115-H166 PolarHBondContact O-CD2 3.26Å; S115-H166 VanDerWaalsContact O-CD2 3.31Å; S115-P167 VanDerWaalsContact O-CD 3.27Å; S115-P167 WeakPolarHBondContact O-CD 3.15Å
116I98.2Very high97.6Very high42 Ų4246.2 Ų46.222%0.21526%0.259CS..  trans-148.4146.9-176.2-164.8165.4000110.3V108 F111 G114 V118 T146 V164 E165 H166V108-I116 HydrophobicContact CG1-CD1 3.58Å; F111-I116 HydrophobicContact CD1-CD1 3.98Å; F111-I116 HydrophobicContact CD2-CB 4.48Å; F111-I116 HydrophobicContact CD2-CD1 3.87Å; F111-I116 HydrophobicContact CE1-CD1 3.78Å; F111-I116 HydrophobicContact CE2-CB 3.87Å; F111-I116 HydrophobicContact CE2-CD1 3.68Å; F111-I116 HydrophobicContact CE2-CG1 4.39Å; F111-I116 HydrophobicContact CE2-CG2 3.79Å; F111-I116 HydrophobicContact CG-CD1 4.03Å; F111-I116 HydrophobicContact CZ-CB 4.27Å; F111-I116 HydrophobicContact CZ-CD1 3.64Å; F111-I116 HydrophobicContact CZ-CG2 3.81Å; G114-I116 PolarHBondContact O-N 3.04Å; I116-V118 HydrophobicContact CD1-CG2 4.3Å; I116-V118 HydrophobicContact CG1-CG2 4.13Å; I116-T146 HydrophobicContact CG2-CG2 4.41Å; I116-V164 HydrophobicContact CD1-CG1 3.71Å; I116-V164 HydrophobicContact CG1-CG1 3.95Å; I116-E165 WeakPolarHBondContact CG1-O 3.03Å; I116-H166 HydrophobicContact CD1-CB 4.46Å; I116-H166 HydrophobicContact CG1-CB 4.25Å
117E98.1Very high97.5Very high90 Ų9048.5 Ų48.542%0.42127%0.27SS..EExtended strand (participates in β ladder)trans-121130.3170.3-174.7178.2162.500109.2R119 V164 E165E117-R119 HydrophobicContact CG-CG 4.28Å; E117-R119 WeakPolarHBondContact OE1-CD 3.24Å; E117-R119 IonicContact OE1-CZ 3.98Å; E117-R119 IonicContact OE1-NE 3.37Å; E117-R119 IonicContact OE1-NH1 2.79Å; E117-R119 PolarHBondContact OE1-NH1 3.31Å; E117-V164 WeakPolarHBondContact O-CA 3.43Å; E117-E165 HydrophobicContact CB-CB 4.28Å; E117-E165 PolarHBondContact N-O 3.38Å; E117-E165 PolarHBondContact O-N 3.21Å
118V98.5Very high97.4Very high28 Ų2854.4 Ų54.417%0.1729%0.293CS..EExtended strand (participates in β ladder)trans-130.5120.9-178-177.50000108.3V108 I116 T146 V148 Q163 V164V108-V118 HydrophobicContact CG2-CG1 4.33Å; V108-V118 HydrophobicContact CG2-CG2 4.07Å; I116-V118 HydrophobicContact CD1-CG2 4.3Å; I116-V118 HydrophobicContact CG1-CG2 4.13Å; V118-T146 HydrophobicContact CG2-CG2 4.28Å; V118-V148 HydrophobicContact CB-CB 4.44Å; V118-V148 HydrophobicContact CB-CG2 3.74Å; V118-V148 HydrophobicContact CG1-CB 3.81Å; V118-V148 HydrophobicContact CG1-CG1 4.29Å; V118-V148 HydrophobicContact CG1-CG2 3.61Å; V118-V148 HydrophobicContact CG2-CG2 4.32Å; V118-Q163 CarbonylContact C-O 3.58Å; V118-Q163 WeakPolarHBondContact CA-O 3.15Å; V118-V164 HydrophobicContact CG1-CG2 4.22Å; V118-V164 HydrophobicContact CG2-CG1 4.35Å; V118-V164 HydrophobicContact CG2-CG2 4.22Å
119R98.4Very high97.2Very high57 Ų5757.8 Ų57.822%0.21532%0.32CS..EExtended strand (participates in β ladder)trans-124145.4-176.7-65.1-173.6-64.7-131.45.4111.1E117 F121 E126 Q163 E165E117-R119 HydrophobicContact CG-CG 4.28Å; E117-R119 WeakPolarHBondContact OE1-CD 3.24Å; E117-R119 IonicContact OE1-CZ 3.98Å; E117-R119 IonicContact OE1-NE 3.37Å; E117-R119 IonicContact OE1-NH1 2.79Å; E117-R119 PolarHBondContact OE1-NH1 3.31Å; R119-F121 HydrophobicContact CB-CD2 4.45Å; R119-F121 HydrophobicContact CB-CE2 3.75Å; R119-F121 HydrophobicContact CB-CZ 4.46Å; R119-E126 WeakPolarHBondContact CD-OE1 3.26Å; R119-Q163 PolarHBondContact N-O 3.13Å; R119-Q163 PolarHBondContact O-N 2.93Å; R119-E165 IonicContact CZ-OE1 3.61Å; R119-E165 IonicContact NH1-OE1 2.82Å; R119-E165 IonicContact NH2-OE1 3.62Å; R119-E165 PolarHBondContact NH2-OE1 3.03Å
120W98.3Very high96.9Very high2 Ų257.5 Ų57.51%0.00832%0.324CS..EExtended strand (participates in β ladder)trans-98.4142.7170.7-84.2108.1000110.6V90 L104 C106 E126 E127 V131 V148 L150 T161 C162V90-W120 HydrophobicContact CG1-CH2 3.64Å; V90-W120 HydrophobicContact CG1-CZ3 4.27Å; V90-W120 HydrophobicContact CG2-CH2 4.19Å; L104-W120 HydrophobicContact CB-CH2 3.85Å; L104-W120 HydrophobicContact CB-CZ2 4.08Å; C106-W120 HydrophobicContact CB-CH2 4.17Å; C106-W120 HydrophobicContact CB-CZ2 3.54Å; W120-E126 WeakPolarHBondContact O-CA 3.27Å; W120-E127 HydrophobicContact CB-CB 4.39Å; W120-E127 PolarHBondContact O-N 3.34Å; W120-V131 HydrophobicContact CB-CG2 4.25Å; W120-V131 HydrophobicContact CG-CG2 4.44Å; W120-V148 PolarHBondContact NE1-O 3.22Å; W120-L150 HydrophobicContact CB-CD2 4.43Å; W120-L150 HydrophobicContact CD2-CB 4.12Å; W120-L150 HydrophobicContact CD2-CD2 4.22Å; W120-L150 HydrophobicContact CE3-CD2 4.34Å; W120-L150 HydrophobicContact CG-CB 4.12Å; W120-L150 HydrophobicContact CG-CD2 4.29Å; W120-L150 HydrophobicContact CZ2-CB 4.43Å; W120-T161 CarbonylContact C-O 3.57Å; W120-C162 HydrophobicContact CE3-CB 4.34Å; W120-C162 HydrophobicContact CH2-CB 4.27Å; W120-C162 HydrophobicContact CZ3-CB 4.14Å
121F98Very high96.8Very high39 Ų3958.7 Ų58.717%0.17133%0.326CS..EExtended strand (participates in β ladder)trans-128.2143.1170.5-65.2-103.7000109.6R119 Q125 E126 Y160 T161 Q163R119-F121 HydrophobicContact CB-CD2 4.45Å; R119-F121 HydrophobicContact CB-CE2 3.75Å; R119-F121 HydrophobicContact CB-CZ 4.46Å; F121-Q125 CarbonylContact C-O 3.49Å; F121-Q125 WeakPolarHBondContact CA-O 3.34Å; F121-E126 HydrophobicContact CD1-CB 4.12Å; F121-E126 HydrophobicContact CE1-CB 3.86Å; F121-E126 HydrophobicContact CE1-CG 4.35Å; F121-E126 HydrophobicContact CZ-CB 4.34Å; F121-E126 HydrophobicContact CZ-CG 4.35Å; F121-Y160 CarbonylContact O-C 3.46Å; F121-Y160 VanDerWaalsContact O-CA 3.3Å; F121-Y160 WeakPolarHBondContact O-CA 3.3Å; F121-T161 PolarHBondContact N-O 3.31Å; F121-T161 PolarHBondContact O-N 2.88Å; F121-Q163 HydrophobicContact CD2-CB 4.08Å; F121-Q163 HydrophobicContact CE2-CB 3.72Å; F121-Q163 HydrophobicContact CE2-CG 4.41Å; F121-Q163 VanDerWaalsContact CE2-OE1 3.23Å
122R95.7Very high96.6Very high71 Ų7162.7 Ų62.727%0.26835%0.35SS..EExtended strand (participates in β ladder)trans-121.7118.3172.3-178.4-178.1179.9178.53.2108.4G124 Q125 E127 E158 Y160R122-G124 PolarHBondContact O-N 3.37Å; R122-G124 VanDerWaalsContact O-N 3.14Å; R122-Q125 PolarHBondContact N-O 3.18Å; R122-Q125 PolarHBondContact O-N 2.83Å; R122-E127 HydrophobicContact CB-CB 4.47Å; R122-E158 IonicContact CZ-OE1 2.76Å; R122-E158 IonicContact NE-OE1 3.24Å; R122-E158 PolarHBondContact NE-OE1 2.94Å; R122-E158 IonicContact NE-OE2 2.68Å; R122-E158 IonicContact NH2-OE1 3.78Å; R122-E158 PolarHBondContact NH2-OE1 2.65Å; R122-E158 IonicContact NH2-OE2 3.47Å; R122-Y160 HydrophobicContact CB-CD1 4.3Å; R122-Y160 HydrophobicContact CB-CE1 4.22Å; R122-Y160 HydrophobicContact CG-CD1 4.28Å; R122-Y160 HydrophobicContact CG-CE1 3.84Å; R122-Y160 PolarHBondContact NE-OH 3.2Å
123N94.6Very high96.5Very high95 Ų9563.9 Ų63.951%0.50836%0.364SS..THydrogen-bonded Turntrans49.637.5-176.1-57.1-32.6000113Q125 V159N123-Q125 VanDerWaalsContact C-N 3.35Å; N123-Q125 PolarHBondContact O-N 3.2Å; N123-V159 PolarHBondContact N-O 3.21Å; N123-V159 PolarHBondContact OD1-N 3.33Å; N123-V159 PolarHBondContact OD1-O 3.46Å
124G94.4Very high96.4Very high56 Ų5665.7 Ų65.758%0.57738%0.375SS*.THydrogen-bonded Turntrans83.9-4.2179.800000116R122R122-G124 PolarHBondContact O-N 3.37Å; R122-G124 VanDerWaalsContact O-N 3.14Å
125Q97.1Very high96.4Very high150 Ų15066.4 Ų66.470%0.70138%0.383SS*.EExtended strand (participates in β ladder)trans-97.5136174-66.2-67.9-36.200110.2F121 R122 N123 E127F121-Q125 CarbonylContact C-O 3.49Å; F121-Q125 WeakPolarHBondContact CA-O 3.34Å; R122-Q125 PolarHBondContact N-O 3.18Å; R122-Q125 PolarHBondContact O-N 2.83Å; N123-Q125 VanDerWaalsContact C-N 3.35Å; N123-Q125 PolarHBondContact O-N 3.2Å; Q125-E127 PolarHBondContact O-N 2.72Å
126E97.7Very high96.4Very high85 Ų8566.4 Ų66.440%0.39738%0.376SS..EExtended strand (participates in β ladder)trans-63.3128.3178.2-167.7-172.6-178.400110.1R119 W120 F121 K128R119-E126 WeakPolarHBondContact CD-OE1 3.26Å; W120-E126 WeakPolarHBondContact O-CA 3.27Å; F121-E126 HydrophobicContact CD1-CB 4.12Å; F121-E126 HydrophobicContact CE1-CB 3.86Å; F121-E126 HydrophobicContact CE1-CG 4.35Å; F121-E126 HydrophobicContact CZ-CB 4.34Å; F121-E126 HydrophobicContact CZ-CG 4.35Å; E126-K128 WeakPolarHBondContact OE1-CE 3.4Å; E126-K128 IonicContact OE1-NZ 3.84Å; E126-K128 PolarHBondContact OE1-NZ 3.2Å; E126-K128 WeakPolarHBondContact OE2-CE 3.42Å; E126-K128 IonicContact OE2-NZ 3.52Å; E126-K128 PolarHBondContact OE2-NZ 3.42Å; E126-K128 VanDerWaalsContact OE2-NZ 3.11Å
127E96.1Very high96.4Very high48 Ų4867.5 Ų67.522%0.22438%0.381CS..EExtended strand (participates in β ladder)trans-107.1124.5178.5-176.360.2-90.600109.5W120 R122 Q125 A129 V131 L150W120-E127 HydrophobicContact CB-CB 4.39Å; W120-E127 PolarHBondContact O-N 3.34Å; R122-E127 HydrophobicContact CB-CB 4.47Å; Q125-E127 PolarHBondContact O-N 2.72Å; E127-A129 WeakPolarHBondContact OE1-CB 3.41Å; E127-A129 PolarHBondContact OE1-N 2.98Å; E127-V131 WeakPolarHBondContact O-CG2 3.39Å; E127-L150 HydrophobicContact CG-CD1 3.65Å; E127-L150 HydrophobicContact CG-CD2 4.29Å
128K96.1Very high96.4Very high146 Ų14670.7 Ų70.764%0.63540%0.396SS*.  trans-118.4-24.9179.2-63.8-176.4-177.3175.50111.9E126 V131E126-K128 WeakPolarHBondContact OE1-CE 3.4Å; E126-K128 IonicContact OE1-NZ 3.84Å; E126-K128 PolarHBondContact OE1-NZ 3.2Å; E126-K128 WeakPolarHBondContact OE2-CE 3.42Å; E126-K128 IonicContact OE2-NZ 3.52Å; E126-K128 PolarHBondContact OE2-NZ 3.42Å; E126-K128 VanDerWaalsContact OE2-NZ 3.11Å; K128-V131 PolarHBondContact O-N 2.68Å
129A94.1Very high96.3Very high70 Ų7072.1 Ų72.158%0.57940%0.403SS*.THydrogen-bonded Turntrans-72.5133.6179.600000109.6E127 V131 L150E127-A129 WeakPolarHBondContact OE1-CB 3.41Å; E127-A129 PolarHBondContact OE1-N 2.98Å; A129-V131 PolarHBondContact O-N 2.9Å; A129-L150 WeakPolarHBondContact O-CD1 3.42Å
130G91.3Very high96.2Very high34 Ų3473.1 Ų73.135%0.35143%0.431SS..THydrogen-bonded Turntrans71.410.4-178.900000114.7E151G130-E151 PolarHBondContact O-N 2.82Å
131V96.3Very high96.1Very high49 Ų4977.6 Ų77.630%0.29746%0.455SS..EExtended strand (participates in β ladder)trans-85126.7174.2179.40000110.4W120 E127 K128 A129 V148 M149 L150W120-V131 HydrophobicContact CB-CG2 4.25Å; W120-V131 HydrophobicContact CG-CG2 4.44Å; E127-V131 WeakPolarHBondContact O-CG2 3.39Å; K128-V131 PolarHBondContact O-N 2.68Å; A129-V131 PolarHBondContact O-N 2.9Å; V131-V148 HydrophobicContact CG1-CG1 3.58Å; V131-M149 CarbonylContact C-O 3.51Å; V131-M149 VanDerWaalsContact CA-O 3.25Å; V131-M149 WeakPolarHBondContact CA-O 3.43Å; V131-L150 HydrophobicContact CG2-CD1 3.79Å
132V95.4Very high96.1Very high84 Ų8482.9 Ų82.951%0.50947%0.474SS..EExtended strand (participates in β ladder)trans-129.6134.7178.1-177.80000109.4M149V132-M149 HydrophobicContact CB-CE 4.22Å; V132-M149 HydrophobicContact CG1-CE 3.98Å; V132-M149 PolarHBondContact N-O 2.79Å; V132-M149 PolarHBondContact O-N 2.93Å
133S96.6Very high96.2Very high65 Ų6580.3 Ų80.346%0.45547%0.466SS..EExtended strand (participates in β ladder)trans-114.9143.1177.1178.90000110.8G135 L147S133-G135 PolarHBondContact O-N 3.36Å; S133-G135 PolarHBondContact OG-N 2.76Å; S133-G135 VanDerWaalsContact OG-N 3.08Å; S133-L147 WeakPolarHBondContact CA-O 3.33Å
134T96.1Very high96.4Very high65 Ų6577.1 Ų77.140%0.39945%0.448SS..  trans-70.1-11.816954.60000113L147 M149T134-L147 HydrophobicContact CG2-CB 3.8Å; T134-L147 HydrophobicContact CG2-CD1 4.19Å; T134-L147 HydrophobicContact CG2-CG 4.26Å; T134-L147 PolarHBondContact N-O 2.86Å; T134-L147 PolarHBondContact OG1-N 2.98Å; T134-M149 HydrophobicContact CG2-CE 4.21Å
135G96.6Very high96.6Very high33 Ų3377.5 Ų77.534%0.3443%0.434SS..  trans71.1-174.5-162.400000111.7S133 T146S133-G135 PolarHBondContact O-N 3.36Å; S133-G135 PolarHBondContact OG-N 2.76Å; S133-G135 VanDerWaalsContact OG-N 3.08Å; G135-T146 PolarHBondContact O-OG1 3.23Å
136L97.4Very high96.6Very high86 Ų8670.7 Ų70.745%0.4540%0.403SS..  trans-79.9122.3-175.9-170.571.4000111.1F111 G114 F144F111-L136 HydrophobicContact CE2-CD1 3.85Å; F111-L136 HydrophobicContact CZ-CD1 3.73Å; G114-L136 WeakPolarHBondContact O-CD1 3.26Å; L136-F144 HydrophobicContact CD1-CB 3.63Å; L136-F144 HydrophobicContact CD1-CD1 3.75Å; L136-F144 HydrophobicContact CD1-CG 3.86Å; L136-F144 HydrophobicContact CD2-CD1 3.55Å; L136-F144 HydrophobicContact CD2-CE1 3.6Å; L136-F144 HydrophobicContact CD2-CG 4.3Å; L136-F144 HydrophobicContact CD2-CZ 4.44Å; L136-F144 HydrophobicContact CG-CB 4.32Å; L136-F144 HydrophobicContact CG-CD1 3.51Å; L136-F144 HydrophobicContact CG-CE1 4.08Å; L136-F144 HydrophobicContact CG-CG 4.17Å
137I98Very high96.6Very high64 Ų6468.6 Ų68.633%0.32839%0.394SS..EExtended strand (participates in β ladder)trans-105.2132.3177-61.5158.3000109.1F144 Q145I137-F144 VanDerWaalsContact O-CA 3.25Å; I137-F144 WeakPolarHBondContact O-CA 3.43Å; I137-Q145 HydrophobicContact CB-CG 3.69Å; I137-Q145 WeakPolarHBondContact CB-O 3.36Å; I137-Q145 HydrophobicContact CD1-CG 4.15Å; I137-Q145 HydrophobicContact CG2-CG 3.89Å; I137-Q145 PolarHBondContact N-O 3Å; I137-Q145 PolarHBondContact O-N 2.91Å
138Q97.7Very high96.7Very high158 Ų15866.7 Ų66.774%0.73839%0.386SS*.EExtended strand (participates in β ladder)trans-92.7124.2175.6-72.7178.637.700110.6F144Q138-F144 HydrophobicContact CG-CD1 3.77Å; Q138-F144 HydrophobicContact CG-CE1 3.43Å; Q138-F144 VanDerWaalsContact CG-CE1 3.43Å; Q138-F144 HydrophobicContact CG-CZ 4.46Å
139N96.9Very high96.7Very high58 Ų5861.6 Ų61.631%0.3137%0.365SS..  trans-84-17.9-176.5-64.8-23.4000113.7D141 T143 Q145N139-D141 VanDerWaalsContact C-N 3.31Å; N139-D141 VanDerWaalsContact CB-OD1 3.24Å; N139-D141 WeakPolarHBondContact CB-OD1 3.43Å; N139-T143 WeakPolarHBondContact CB-O 3.25Å; N139-T143 PolarHBondContact N-O 2.83Å; N139-T143 VanDerWaalsContact N-O 3.15Å; N139-T143 PolarHBondContact ND2-OG1 2.78Å; N139-Q145 WeakPolarHBondContact OD1-CG 3.19Å; N139-Q145 PolarHBondContact OD1-NE2 2.96Å
140G96.1Very high96.8Very high78 Ų7858.3 Ų58.380%0.80434%0.338SS*.SBendtrans84.3-1.3-174.800000114.8
141D96.9Very high96.8Very high95 Ų9561.6 Ų61.651%0.50834%0.344SS..SBendtrans-112.423.118070-8.4000113.2N139 T143N139-D141 VanDerWaalsContact C-N 3.31Å; N139-D141 VanDerWaalsContact CB-OD1 3.24Å; N139-D141 WeakPolarHBondContact CB-OD1 3.43Å; D141-T143 VanDerWaalsContact C-N 3.27Å; D141-T143 PolarHBondContact O-N 3.44Å; D141-T143 WeakPolarHBondContact OD1-CB 3.39Å; D141-T143 PolarHBondContact OD1-N 2.85Å; D141-T143 PolarHBondContact OD1-OG1 3.16Å; D141-T143 PolarHBondContact OD2-OG1 3.23Å
142W96.3Very high96.4Very high150 Ų15060 Ų6057%0.56833%0.334SS*.SBendtrans66.621.6-172.6-60.874.1000115T79 Y112T79-W142 HydrophobicContact CG2-CH2 4.08Å; T79-W142 HydrophobicContact CG2-CZ3 4Å; Y112-W142 WeakPolarHBondContact CD2-O 3.18Å; Y112-W142 HydrophobicContact CE2-CE3 4.33Å
143T98.2Very high95.9Very high17 Ų1759.2 Ų59.210%0.10433%0.329CS..  trans-124.3163.7169.173.40000112.1F111 N139 D141F111-T143 CarbonylContact O-C 3.55Å; F111-T143 WeakPolarHBondContact O-CA 3.36Å; N139-T143 WeakPolarHBondContact CB-O 3.25Å; N139-T143 PolarHBondContact N-O 2.83Å; N139-T143 VanDerWaalsContact N-O 3.15Å; N139-T143 PolarHBondContact ND2-OG1 2.78Å; D141-T143 VanDerWaalsContact C-N 3.27Å; D141-T143 PolarHBondContact O-N 3.44Å; D141-T143 WeakPolarHBondContact OD1-CB 3.39Å; D141-T143 PolarHBondContact OD1-N 2.85Å; D141-T143 PolarHBondContact OD1-OG1 3.16Å; D141-T143 PolarHBondContact OD2-OG1 3.23Å
144F98.6Very high95.3Very high29 Ų2957.3 Ų57.313%0.12732%0.315CS..EExtended strand (participates in β ladder)trans-119.4162.3177.2-61.2-89.6000111.1G110 F111 Y112 G114 L136 I137 Q138G110-F144 PolarHBondContact N-O 3.17Å; F111-F144 WeakPolarHBondContact CD1-O 3.47Å; F111-F144 HydrophobicContact CD2-CB 4.11Å; F111-F144 HydrophobicContact CE1-CB 4.25Å; F111-F144 HydrophobicContact CE2-CB 3.67Å; F111-F144 HydrophobicContact CE2-CG 4.5Å; F111-F144 HydrophobicContact CZ-CB 3.75Å; F111-F144 PolarHBondContact N-O 2.77Å; F111-F144 PolarHBondContact O-N 3.11Å; Y112-F144 HydrophobicContact CD2-CD2 4.11Å; Y112-F144 AromaticContact CD2-CE2 3.57Å; Y112-F144 HydrophobicContact CD2-CE2 3.57Å; Y112-F144 AromaticContact CE2-CE2 3.95Å; Y112-F144 HydrophobicContact CE2-CE2 3.95Å; Y112-F144 HydrophobicContact CG-CE2 4.46Å; G114-F144 VanDerWaalsContact N-CE2 3.32Å; L136-F144 HydrophobicContact CD1-CB 3.63Å; L136-F144 HydrophobicContact CD1-CD1 3.75Å; L136-F144 HydrophobicContact CD1-CG 3.86Å; L136-F144 HydrophobicContact CD2-CD1 3.55Å; L136-F144 HydrophobicContact CD2-CE1 3.6Å; L136-F144 HydrophobicContact CD2-CG 4.3Å; L136-F144 HydrophobicContact CD2-CZ 4.44Å; L136-F144 HydrophobicContact CG-CB 4.32Å; L136-F144 HydrophobicContact CG-CD1 3.51Å; L136-F144 HydrophobicContact CG-CE1 4.08Å; L136-F144 HydrophobicContact CG-CG 4.17Å; I137-F144 VanDerWaalsContact O-CA 3.25Å; I137-F144 WeakPolarHBondContact O-CA 3.43Å; Q138-F144 HydrophobicContact CG-CD1 3.77Å; Q138-F144 HydrophobicContact CG-CE1 3.43Å; Q138-F144 VanDerWaalsContact CG-CE1 3.43Å; Q138-F144 HydrophobicContact CG-CZ 4.46Å
145Q98.5Very high94.8Very high64 Ų6462.6 Ų62.630%0.29933%0.328SS..EExtended strand (participates in β ladder)trans-141.1158.7167.567.4-179.1-62.100111.2V108 I137 N139V108-Q145 CarbonylContact O-C 3.49Å; V108-Q145 VanDerWaalsContact O-CA 3.23Å; V108-Q145 WeakPolarHBondContact O-CA 3.35Å; I137-Q145 HydrophobicContact CB-CG 3.69Å; I137-Q145 WeakPolarHBondContact CB-O 3.36Å; I137-Q145 HydrophobicContact CD1-CG 4.15Å; I137-Q145 HydrophobicContact CG2-CG 3.89Å; I137-Q145 PolarHBondContact N-O 3Å; I137-Q145 PolarHBondContact O-N 2.91Å; N139-Q145 WeakPolarHBondContact OD1-CG 3.19Å; N139-Q145 PolarHBondContact OD1-NE2 2.96Å
146T98.5Very high94.1Very high6 Ų665.7 Ų65.74%0.03734%0.344CS..EExtended strand (participates in β ladder)trans-152.1145.4172.3-176.40000109.6V108 F111 I116 V118 G135V108-T146 HydrophobicContact CB-CG2 3.97Å; V108-T146 PolarHBondContact N-O 3.16Å; V108-T146 PolarHBondContact O-N 2.79Å; F111-T146 HydrophobicContact CE1-CG2 4.23Å; F111-T146 HydrophobicContact CZ-CG2 4.17Å; I116-T146 HydrophobicContact CG2-CG2 4.41Å; V118-T146 HydrophobicContact CG2-CG2 4.28Å; G135-T146 PolarHBondContact O-OG1 3.23Å
147L97.8Very high93.5Very high42 Ų4264.7 Ų64.722%0.2235%0.354CS..EExtended strand (participates in β ladder)trans-112.1123.2172.3-55.1176.3000108.3V105 S133 T134V105-L147 HydrophobicContact CG1-CB 4.47Å; V105-L147 HydrophobicContact CG1-CD2 4.27Å; S133-L147 WeakPolarHBondContact CA-O 3.33Å; T134-L147 HydrophobicContact CG2-CB 3.8Å; T134-L147 HydrophobicContact CG2-CD1 4.19Å; T134-L147 HydrophobicContact CG2-CG 4.26Å; T134-L147 PolarHBondContact N-O 2.86Å; T134-L147 PolarHBondContact OG1-N 2.98Å
148V97.9Very high93.2Very high7 Ų762.6 Ų62.64%0.04234%0.344CS..EExtended strand (participates in β ladder)trans-113.5110.7173.3-174.20000108.7C106 V118 W120 V131C106-V148 WeakPolarHBondContact CB-O 3.34Å; C106-V148 PolarHBondContact N-O 2.93Å; C106-V148 PolarHBondContact O-N 3.41Å; V118-V148 HydrophobicContact CB-CB 4.44Å; V118-V148 HydrophobicContact CB-CG2 3.74Å; V118-V148 HydrophobicContact CG1-CB 3.81Å; V118-V148 HydrophobicContact CG1-CG1 4.29Å; V118-V148 HydrophobicContact CG1-CG2 3.61Å; V118-V148 HydrophobicContact CG2-CG2 4.32Å; W120-V148 PolarHBondContact NE1-O 3.22Å; V131-V148 HydrophobicContact CG1-CG1 3.58Å
149M95.7Very high93.1Very high39 Ų3956.1 Ų56.119%0.19231%0.314CS..EExtended strand (participates in β ladder)trans-104.4140.2-170.8-58.9166.6-75.200109.6L103 L104 V105 V131 V132 T134L103-M149 HydrophobicContact CD1-CB 3.86Å; L103-M149 HydrophobicContact CD2-CB 4.14Å; L103-M149 HydrophobicContact CD2-CG 4.13Å; L103-M149 HydrophobicContact CD2-SD 3.89Å; L103-M149 HydrophobicContact CG-CB 3.99Å; L103-M149 HydrophobicContact CG-CG 4.43Å; L104-M149 CarbonylContact O-C 3.58Å; L104-M149 VanDerWaalsContact O-CA 3.28Å; L104-M149 WeakPolarHBondContact O-CA 3.27Å; V105-M149 HydrophobicContact CG1-CG 4.28Å; V105-M149 HydrophobicContact CG2-CG 4.24Å; V131-M149 CarbonylContact C-O 3.51Å; V131-M149 VanDerWaalsContact CA-O 3.25Å; V131-M149 WeakPolarHBondContact CA-O 3.43Å; V132-M149 HydrophobicContact CB-CE 4.22Å; V132-M149 HydrophobicContact CG1-CE 3.98Å; V132-M149 PolarHBondContact N-O 2.79Å; V132-M149 PolarHBondContact O-N 2.93Å; T134-M149 HydrophobicContact CG2-CE 4.21Å
150L95.1Very high93Very high2 Ų253.3 Ų53.31%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-120116.5174.8171.964.6000109.2L104 W120 E127 A129 V131 T152 Y160L104-L150 HydrophobicContact CB-CB 4.41Å; L104-L150 PolarHBondContact N-O 3.2Å; L104-L150 PolarHBondContact O-N 2.83Å; W120-L150 HydrophobicContact CB-CD2 4.43Å; W120-L150 HydrophobicContact CD2-CB 4.12Å; W120-L150 HydrophobicContact CD2-CD2 4.22Å; W120-L150 HydrophobicContact CE3-CD2 4.34Å; W120-L150 HydrophobicContact CG-CB 4.12Å; W120-L150 HydrophobicContact CG-CD2 4.29Å; W120-L150 HydrophobicContact CZ2-CB 4.43Å; E127-L150 HydrophobicContact CG-CD1 3.65Å; E127-L150 HydrophobicContact CG-CD2 4.29Å; A129-L150 WeakPolarHBondContact O-CD1 3.42Å; V131-L150 HydrophobicContact CG2-CD1 3.79Å; L150-T152 HydrophobicContact CD2-CG2 4.26Å; L150-T152 HydrophobicContact CG-CG2 4.15Å; L150-T152 PolarHBondContact O-N 3.01Å; L150-Y160 HydrophobicContact CD2-CD1 3.68Å; L150-Y160 HydrophobicContact CD2-CE1 3.87Å
151E92.1Very high93.1Very high103 Ų10350.5 Ų50.548%0.48127%0.267SS..EExtended strand (participates in β ladder)trans-78.4114.7171.9-173.2175.6-172.400110H101 L103 G130H101-E151 HydrophobicContact CB-CG 4.24Å; H101-E151 IonicContact CG-OE1 3.87Å; L103-E151 HydrophobicContact CD1-CB 4.33Å; G130-E151 PolarHBondContact O-N 2.82Å
152T87.9Confident93.2Very high16 Ų1646 Ų4610%0.09824%0.243CC..EExtended strand (participates in β ladder)trans-153.1170.4-178.1-176.80000112.1N102 L104 L150 P154 Y160N102-T152 CarbonylContact C-O 3.56Å; N102-T152 PolarHBondContact N-O 2.67Å; N102-T152 PolarHBondContact O-N 2.81Å; N102-T152 VanDerWaalsContact O-N 3.08Å; L104-T152 HydrophobicContact CD1-CG2 4.01Å; L104-T152 HydrophobicContact CG-CG2 4.22Å; L150-T152 HydrophobicContact CD2-CG2 4.26Å; L150-T152 HydrophobicContact CG-CG2 4.15Å; L150-T152 PolarHBondContact O-N 3.01Å; T152-P154 HydrophobicContact CG2-CG 4.07Å; T152-Y160 HydrophobicContact CG2-CE1 3.91Å; T152-Y160 PolarHBondContact OG1-OH 2.86Å
153V85.8Confident93.3Very high67 Ų6740.7 Ų40.741%0.40622%0.224SC..  trans-118.790.3169.3-173.90000107.2H101 R155H101-V153 WeakPolarHBondContact ND1-CG2 3.43Å; V153-R155 PolarHBondContact O-N 2.79Å
154P83.9Confident93.3Very high24 Ų2439.9 Ų39.916%0.15622%0.219CC..PPolyproline II helixtrans-61.1127.1-173.6-21.530.8000112.1N102 T152 Y160 W177 A179N102-P154 HydrophobicContact CB-CG 4.16Å; T152-P154 HydrophobicContact CG2-CG 4.07Å; P154-Y160 HydrophobicContact CB-CE2 4.04Å; P154-W177 HydrophobicContact CB-CH2 3.8Å; P154-W177 HydrophobicContact CB-CZ3 3.72Å; P154-W177 HydrophobicContact CG-CH2 3.84Å; P154-W177 HydrophobicContact CG-CZ3 3.88Å; P154-A179 HydrophobicContact CB-CB 3.65Å
155R83.8Confident93.3Very high177 Ų17742.1 Ų42.167%0.66823%0.23SC*.PPolyproline II helixtrans-97.5146175-58.8179.9177.2-177-0.4110.3V153 G157 E158 A179V153-R155 PolarHBondContact O-N 2.79Å; R155-G157 PolarHBondContact O-N 3.03Å; R155-E158 HydrophobicContact CB-CG 4.08Å; R155-E158 PolarHBondContact N-OE2 3.49Å; R155-E158 WeakPolarHBondContact O-CB 3.39Å; R155-E158 WeakPolarHBondContact O-CG 3.4Å; R155-E158 PolarHBondContact O-N 2.8Å; R155-A179 WeakPolarHBondContact O-CB 3.42Å
156S83.6Confident93.3Very high98 Ų9839.6 Ų39.669%0.68522%0.218SC*.THydrogen-bonded Turntrans-53128.4179.8-176.20000111.5
157G85.1Confident93.3Very high64 Ų6442.7 Ų42.766%0.6624%0.238SC*.THydrogen-bonded Turntrans92.9-10.9-179.800000114.9R155 A179R155-G157 PolarHBondContact O-N 3.03Å; G157-A179 PolarHBondContact N-O 3.33Å
158E91.3Very high93.2Very high21 Ų2141.4 Ų41.410%0.09823%0.233CC..  trans-70.9143.8172.4-65.8-179.415600111.8R122 R155 Y160 A179R122-E158 IonicContact CZ-OE1 2.76Å; R122-E158 IonicContact NE-OE1 3.24Å; R122-E158 PolarHBondContact NE-OE1 2.94Å; R122-E158 IonicContact NE-OE2 2.68Å; R122-E158 IonicContact NH2-OE1 3.78Å; R122-E158 PolarHBondContact NH2-OE1 2.65Å; R122-E158 IonicContact NH2-OE2 3.47Å; R155-E158 HydrophobicContact CB-CG 4.08Å; R155-E158 PolarHBondContact N-OE2 3.49Å; R155-E158 WeakPolarHBondContact O-CB 3.39Å; R155-E158 WeakPolarHBondContact O-CG 3.4Å; R155-E158 PolarHBondContact O-N 2.8Å; E158-Y160 HydrophobicContact CB-CD2 4.39Å; E158-Y160 HydrophobicContact CB-CE2 3.7Å; E158-Y160 PolarHBondContact OE2-OH 2.96Å; E158-A179 HydrophobicContact CB-CB 4.39Å; E158-A179 PolarHBondContact O-N 2.95Å
159V94.3Very high93.2Very high21 Ų2142.4 Ų42.413%0.12724%0.239CC..EExtended strand (participates in β ladder)trans-116.5126.8176-172.60000108.6N123 E176 R178N123-V159 PolarHBondContact N-O 3.21Å; N123-V159 PolarHBondContact OD1-N 3.33Å; N123-V159 PolarHBondContact OD1-O 3.46Å; V159-E176 HydrophobicContact CG1-CB 4.3Å; V159-E176 HydrophobicContact CG1-CG 4.28Å; V159-R178 HydrophobicContact CG1-CG 4.33Å; V159-R178 HydrophobicContact CG2-CG 4.19Å
160Y95.9Very high93.2Very high0 Ų048 Ų480%028%0.276CS..EExtended strand (participates in β ladder)trans-111.9135.9175.4-65.7-96.6000108.5L104 F121 R122 L150 T152 P154 E158 E176 W177L104-Y160 HydrophobicContact CD1-CD1 3.63Å; L104-Y160 HydrophobicContact CD1-CD2 3.79Å; L104-Y160 HydrophobicContact CD1-CE1 4.12Å; L104-Y160 HydrophobicContact CD1-CE2 4.29Å; L104-Y160 HydrophobicContact CD1-CG 3.43Å; L104-Y160 VanDerWaalsContact CD1-CG 3.43Å; F121-Y160 CarbonylContact O-C 3.46Å; F121-Y160 VanDerWaalsContact O-CA 3.3Å; F121-Y160 WeakPolarHBondContact O-CA 3.3Å; R122-Y160 HydrophobicContact CB-CD1 4.3Å; R122-Y160 HydrophobicContact CB-CE1 4.22Å; R122-Y160 HydrophobicContact CG-CD1 4.28Å; R122-Y160 HydrophobicContact CG-CE1 3.84Å; R122-Y160 PolarHBondContact NE-OH 3.2Å; L150-Y160 HydrophobicContact CD2-CD1 3.68Å; L150-Y160 HydrophobicContact CD2-CE1 3.87Å; T152-Y160 HydrophobicContact CG2-CE1 3.91Å; T152-Y160 PolarHBondContact OG1-OH 2.86Å; P154-Y160 HydrophobicContact CB-CE2 4.04Å; E158-Y160 HydrophobicContact CB-CD2 4.39Å; E158-Y160 HydrophobicContact CB-CE2 3.7Å; E158-Y160 PolarHBondContact OE2-OH 2.96Å; Y160-E176 CarbonylContact O-C 3.58Å; Y160-E176 WeakPolarHBondContact O-CA 3.42Å; Y160-W177 AromaticContact CD2-CE3 3.76Å; Y160-W177 HydrophobicContact CD2-CE3 3.76Å; Y160-W177 AromaticContact CD2-CZ3 3.85Å; Y160-W177 HydrophobicContact CD2-CZ3 3.85Å; Y160-W177 HydrophobicContact CE2-CZ3 4.19Å; Y160-W177 HydrophobicContact CG-CE3 4.35Å; Y160-W177 PolarHBondContact N-O 3.4Å; Y160-W177 PolarHBondContact O-N 2.79Å
161T98.1Very high93.2Very high19 Ų1952.2 Ų52.212%0.11731%0.305CS..EExtended strand (participates in β ladder)trans-127.2124.6-178.4-52.60000109.3W120 F121 T174 V175 E176W120-T161 CarbonylContact C-O 3.57Å; F121-T161 PolarHBondContact N-O 3.31Å; F121-T161 PolarHBondContact O-N 2.88Å; T161-T174 HydrophobicContact CG2-CG2 4.19Å; T161-V175 WeakPolarHBondContact CA-O 3.07Å; T161-E176 HydrophobicContact CG2-CG 4.43Å
162C98.3Very high93.5Very high0 Ų049 Ų490%030%0.296CS..EExtended strand (participates in β ladder)trans-89.7121.6164.5-177.70000108.5V90 C106 W120 T174 V175V90-C162 HydrophobicContact CG2-CB 3.59Å; C106-C162 HydrophobicContact CB-CB 3.63Å; C106-C162 WeakPolarHBondContact CB-SG 3.05Å; C106-C162 WeakPolarHBondContact SG-CB 3.3Å; C106-C162 CovalentContact SG-SG 2.02Å; C106-C162 PolarHBondContact SG-SG 3.41Å; W120-C162 HydrophobicContact CE3-CB 4.34Å; W120-C162 HydrophobicContact CH2-CB 4.27Å; W120-C162 HydrophobicContact CZ3-CB 4.14Å; C162-T174 WeakPolarHBondContact O-CA 3.49Å; C162-V175 PolarHBondContact N-O 2.76Å; C162-V175 PolarHBondContact O-N 2.66Å
163Q98.6Very high93.9Very high39 Ų3950.9 Ų50.918%0.18231%0.305CS..EExtended strand (participates in β ladder)trans-109.1130.9176-174.9177.464.600109.7V118 R119 F121 A172 L173 T174V118-Q163 CarbonylContact C-O 3.58Å; V118-Q163 WeakPolarHBondContact CA-O 3.15Å; R119-Q163 PolarHBondContact N-O 3.13Å; R119-Q163 PolarHBondContact O-N 2.93Å; F121-Q163 HydrophobicContact CD2-CB 4.08Å; F121-Q163 HydrophobicContact CE2-CB 3.72Å; F121-Q163 HydrophobicContact CE2-CG 4.41Å; F121-Q163 VanDerWaalsContact CE2-OE1 3.23Å; Q163-A172 HydrophobicContact CG-CB 3.73Å; Q163-L173 CarbonylContact C-O 3.56Å; Q163-L173 VanDerWaalsContact CA-O 3.27Å; Q163-L173 WeakPolarHBondContact CA-O 3.34Å; Q163-T174 HydrophobicContact CB-CG2 4.21Å; Q163-T174 HydrophobicContact CG-CG2 3.96Å
164V98.6Very high94.5Very high0 Ų051.7 Ų51.70%031%0.311CS..EExtended strand (participates in β ladder)trans-124.2122.1-177.7-179.20000109.9P86 V88 V108 I116 E117 V118 A172 L173P86-V164 HydrophobicContact CG-CG1 4.16Å; V88-V164 HydrophobicContact CG1-CG2 4.03Å; V88-V164 HydrophobicContact CG2-CB 4.23Å; V88-V164 HydrophobicContact CG2-CG2 3.78Å; V108-V164 HydrophobicContact CG1-CG1 4.1Å; V108-V164 HydrophobicContact CG1-CG2 4.46Å; V108-V164 HydrophobicContact CG2-CG2 3.8Å; I116-V164 HydrophobicContact CD1-CG1 3.71Å; I116-V164 HydrophobicContact CG1-CG1 3.95Å; E117-V164 WeakPolarHBondContact O-CA 3.43Å; V118-V164 HydrophobicContact CG1-CG2 4.22Å; V118-V164 HydrophobicContact CG2-CG1 4.35Å; V118-V164 HydrophobicContact CG2-CG2 4.22Å; V164-A172 CarbonylContact O-C 3.52Å; V164-A172 WeakPolarHBondContact O-CA 3.47Å; V164-L173 HydrophobicContact CB-CB 4.31Å; V164-L173 PolarHBondContact N-O 2.97Å; V164-L173 PolarHBondContact O-N 3.12Å
165E98.5Very high95.2Very high76 Ų7652.6 Ų52.636%0.35532%0.316SS..EExtended strand (participates in β ladder)trans-106.7127.8170.6-62.3-173.9-169.100109.6I116 E117 R119 A172I116-E165 WeakPolarHBondContact CG1-O 3.03Å; E117-E165 HydrophobicContact CB-CB 4.28Å; E117-E165 PolarHBondContact N-O 3.38Å; E117-E165 PolarHBondContact O-N 3.21Å; R119-E165 IonicContact CZ-OE1 3.61Å; R119-E165 IonicContact NH1-OE1 2.82Å; R119-E165 IonicContact NH2-OE1 3.62Å; R119-E165 PolarHBondContact NH2-OE1 3.03Å; E165-A172 HydrophobicContact CG-CB 3.86Å
166H98.5Very high95.8Very high10 Ų1049.6 Ų49.65%0.04631%0.309CS..  trans-150140.7-177.3-179.8-104.8000110.5V84 P86 F111 Y112 P113 S115 I116 S168 V169V84-H166 PolarHBondContact O-CE1 2.02Å; P86-H166 HydrophobicContact CG-CB 4.23Å; F111-H166 AromaticContact CD2-CD2 3.87Å; F111-H166 AromaticContact CD2-NE2 3.73Å; Y112-H166 PolarHBondContact O-CE1 2.64Å; P113-H166 PolarHBondContact O-NE2 2.85Å; S115-H166 PolarHBondContact O-CD2 3.26Å; S115-H166 VanDerWaalsContact O-CD2 3.31Å; I116-H166 HydrophobicContact CD1-CB 4.46Å; I116-H166 HydrophobicContact CG1-CB 4.25Å; H166-S168 PolarHBondContact CE1-OG 2.9Å; H166-S168 VanDerWaalsContact ND1-CB 3.27Å; H166-S168 WeakPolarHBondContact ND1-CB 3.33Å; H166-S168 PolarHBondContact ND1-N 3.27Å; H166-S168 PolarHBondContact ND1-OG 3.41Å; H166-S168 PolarHBondContact O-N 3.07Å; H166-V169 HydrophobicContact CB-CG2 4.23Å; H166-V169 WeakPolarHBondContact O-CG2 3.36Å; H166-V169 PolarHBondContact O-N 3.49Å
167P97.7Very high96.3Very high71 Ų7147.4 Ų47.446%0.46129%0.286SS..THydrogen-bonded Turntrans-60.8-8.8-177-27.436.3000116.5P113 S115P113-P167 HydrophobicContact CG-CG 4.44Å; S115-P167 VanDerWaalsContact O-CD 3.27Å; S115-P167 WeakPolarHBondContact O-CD 3.15Å
168S97.6Very high96.6Very high15 Ų1551 Ų5111%0.10528%0.28CS..THydrogen-bonded Turntrans-83.3-16.4174.675.90000113.7H85 H166H85-S168 WeakPolarHBondContact CA-OG 3.4Å; H85-S168 PolarHBondContact CE1-O 3.2Å; H85-S168 PolarHBondContact NE2-O 2.88Å; H85-S168 VanDerWaalsContact NE2-O 3.11Å; H166-S168 PolarHBondContact CE1-OG 2.9Å; H166-S168 VanDerWaalsContact ND1-CB 3.27Å; H166-S168 WeakPolarHBondContact ND1-CB 3.33Å; H166-S168 PolarHBondContact ND1-N 3.27Å; H166-S168 PolarHBondContact ND1-OG 3.41Å; H166-S168 PolarHBondContact O-N 3.07Å
169V96.8Very high96.2Very high28 Ų2850.4 Ų50.417%0.1728%0.278CS..  trans-116.1141.9-176.2-70.70000110.5H85 H166 S171 L173H85-V169 WeakPolarHBondContact CD2-CG1 3.46Å; H166-V169 HydrophobicContact CB-CG2 4.23Å; H166-V169 WeakPolarHBondContact O-CG2 3.36Å; H166-V169 PolarHBondContact O-N 3.49Å; V169-S171 WeakPolarHBondContact CG2-O 3.48Å; V169-L173 HydrophobicContact CG1-CD1 4.2Å; V169-L173 HydrophobicContact CG1-CD2 4.27Å; V169-L173 HydrophobicContact CG1-CG 4.24Å; V169-L173 HydrophobicContact CG2-CG 4.39Å
170T95.8Very high95.3Very high157 Ų15758.3 Ų58.396%0.96331%0.306SS*.SBendtrans-77.3-28.6-179.9-460000112.6
171S96.1Very high93.6Very high91 Ų9160.6 Ų60.664%0.63632%0.322SS*.SBendtrans-129.7152.6178.156.50000110.5V169 L173V169-S171 WeakPolarHBondContact CG2-O 3.48Å; S171-L173 PolarHBondContact O-N 2.97Å
172A96.8Very high91.8Very high34 Ų3466.8 Ų66.828%0.28135%0.349SS..  trans-60.3130.6179.500000111Q163 V164 E165Q163-A172 HydrophobicContact CG-CB 3.73Å; V164-A172 CarbonylContact O-C 3.52Å; V164-A172 WeakPolarHBondContact O-CA 3.47Å; E165-A172 HydrophobicContact CG-CB 3.86Å
173L97.7Very high89.8Confident56 Ų5669.3 Ų69.329%0.29337%0.367SS..EExtended strand (participates in β ladder)trans-75.9135.7173.1-61.1171000108.6P86 V88 Q163 V164 V169 S171P86-L173 HydrophobicContact CG-CD1 3.66Å; V88-L173 HydrophobicContact CG2-CB 4.48Å; V88-L173 HydrophobicContact CG2-CD1 4.07Å; Q163-L173 CarbonylContact C-O 3.56Å; Q163-L173 VanDerWaalsContact CA-O 3.27Å; Q163-L173 WeakPolarHBondContact CA-O 3.34Å; V164-L173 HydrophobicContact CB-CB 4.31Å; V164-L173 PolarHBondContact N-O 2.97Å; V164-L173 PolarHBondContact O-N 3.12Å; V169-L173 HydrophobicContact CG1-CD1 4.2Å; V169-L173 HydrophobicContact CG1-CD2 4.27Å; V169-L173 HydrophobicContact CG1-CG 4.24Å; V169-L173 HydrophobicContact CG2-CG 4.39Å; S171-L173 PolarHBondContact O-N 2.97Å
174T97.7Very high87.8Confident85 Ų8570 Ų7052%0.52138%0.379SS..EExtended strand (participates in β ladder)trans-127.7130.4178.751.40000109.9T161 C162 Q163T161-T174 HydrophobicContact CG2-CG2 4.19Å; C162-T174 WeakPolarHBondContact O-CA 3.49Å; Q163-T174 HydrophobicContact CB-CG2 4.21Å; Q163-T174 HydrophobicContact CG-CG2 3.96Å
175V97.9Very high86Confident43 Ų4375.6 Ų75.626%0.26141%0.405SS..EExtended strand (participates in β ladder)trans-124.5116.7175.2179.80000108.3V88 V90 T161 C162V88-V175 HydrophobicContact CB-CG2 3.83Å; V88-V175 HydrophobicContact CG1-CB 4.19Å; V88-V175 HydrophobicContact CG1-CG2 3.58Å; V90-V175 HydrophobicContact CB-CG1 4Å; V90-V175 HydrophobicContact CG2-CB 3.93Å; V90-V175 HydrophobicContact CG2-CG1 3.7Å; T161-V175 WeakPolarHBondContact CA-O 3.07Å; C162-V175 PolarHBondContact N-O 2.76Å; C162-V175 PolarHBondContact O-N 2.66Å
176E96.5Very high84.1Confident113 Ų11375.9 Ų75.953%0.52842%0.416SS..EExtended strand (participates in β ladder)trans-88141.1177.3-64.1-167.9170.200111.7V159 Y160 T161 R178V159-E176 HydrophobicContact CG1-CB 4.3Å; V159-E176 HydrophobicContact CG1-CG 4.28Å; Y160-E176 CarbonylContact O-C 3.58Å; Y160-E176 WeakPolarHBondContact O-CA 3.42Å; T161-E176 HydrophobicContact CG2-CG 4.43Å; E176-R178 IonicContact OE2-CZ 2.77Å; E176-R178 IonicContact OE2-NE 3.45Å; E176-R178 IonicContact OE2-NH2 2.96Å; E176-R178 PolarHBondContact OE2-NH2 2.91Å
177W94.2Very high82.4Confident53 Ų5382.4 Ų82.420%0.20144%0.444CS..EExtended strand (participates in β ladder)trans-127.1131.2167.4-17892.4000109.4V90 P92 L104 P154 Y160 A179V90-W177 HydrophobicContact CB-CB 4.33Å; V90-W177 HydrophobicContact CG1-CB 3.53Å; V90-W177 HydrophobicContact CG1-CG 4.02Å; P92-W177 HydrophobicContact CB-CZ2 4.26Å; P92-W177 HydrophobicContact CG-CZ2 4.23Å; L104-W177 HydrophobicContact CD1-CD2 4.43Å; L104-W177 HydrophobicContact CD1-CE3 3.72Å; L104-W177 HydrophobicContact CD1-CZ3 3.9Å; L104-W177 HydrophobicContact CD2-CD2 3.66Å; L104-W177 HydrophobicContact CD2-CE3 3.66Å; L104-W177 HydrophobicContact CD2-CG 4.31Å; L104-W177 HydrophobicContact CD2-CH2 3.94Å; L104-W177 HydrophobicContact CD2-CZ2 3.95Å; L104-W177 HydrophobicContact CD2-CZ3 3.8Å; L104-W177 HydrophobicContact CG-CE3 4.36Å; L104-W177 HydrophobicContact CG-CZ3 4.42Å; P154-W177 HydrophobicContact CB-CH2 3.8Å; P154-W177 HydrophobicContact CB-CZ3 3.72Å; P154-W177 HydrophobicContact CG-CH2 3.84Å; P154-W177 HydrophobicContact CG-CZ3 3.88Å; Y160-W177 AromaticContact CD2-CE3 3.76Å; Y160-W177 HydrophobicContact CD2-CE3 3.76Å; Y160-W177 AromaticContact CD2-CZ3 3.85Å; Y160-W177 HydrophobicContact CD2-CZ3 3.85Å; Y160-W177 HydrophobicContact CE2-CZ3 4.19Å; Y160-W177 HydrophobicContact CG-CE3 4.35Å; Y160-W177 PolarHBondContact N-O 3.4Å; Y160-W177 PolarHBondContact O-N 2.79Å; W177-A179 HydrophobicContact CH2-CB 4.07Å; W177-A179 HydrophobicContact CZ3-CB 3.8Å
178R91.1Very high80.6Confident139 Ų13985.3 Ų85.353%0.52545%0.453SS..EExtended strand (participates in β ladder)trans-110.8128.7-177.3-63.4-173.5179.4-109.3-8.3110.3V159 E176 R180V159-R178 HydrophobicContact CG1-CG 4.33Å; V159-R178 HydrophobicContact CG2-CG 4.19Å; E176-R178 IonicContact OE2-CZ 2.77Å; E176-R178 IonicContact OE2-NE 3.45Å; E176-R178 IonicContact OE2-NH2 2.96Å; E176-R178 PolarHBondContact OE2-NH2 2.91Å; R178-R180 PolarHBondContact O-N 2.88Å
179A83.8Confident78.9Confident8 Ų891 Ų917%0.06648%0.482CS..  trans-67.3105173.500000109.7P154 R155 G157 E158 W177P154-A179 HydrophobicContact CB-CB 3.65Å; R155-A179 WeakPolarHBondContact O-CB 3.42Å; G157-A179 PolarHBondContact N-O 3.33Å; E158-A179 HydrophobicContact CB-CB 4.39Å; E158-A179 PolarHBondContact O-N 2.95Å; W177-A179 HydrophobicContact CH2-CB 4.07Å; W177-A179 HydrophobicContact CZ3-CB 3.8Å
180R74.5Confident77.5Confident187 Ų18794 Ų9471%0.70650%0.503SS*.  trans-95.9142.7171.9-67.3-175.8-179.3-176.10.9109.6R178R178-R180 PolarHBondContact O-N 2.88Å
181S61.4Low76.3Confident49 Ų4988.7 Ų88.734%0.34348%0.48SS..  trans-65.5133.2168.5171.80000110.1S183 A184 Q185S181-S183 PolarHBondContact O-N 3.44Å; S181-S183 WeakPolarHBondContact OG-CB 3.28Å; S181-S183 PolarHBondContact OG-N 3.11Å; S181-A184 WeakPolarHBondContact O-CB 3.32Å; S181-A184 PolarHBondContact O-N 2.87Å; S181-Q185 PolarHBondContact O-N 2.96Å
182E60.3Low75.4Confident148 Ų14888.3 Ų88.369%0.69247%0.474SS*.Hα-helixtrans-53.6-34.1169.8-73.1-171.2157.800111.4A184 Q185 S186E182-A184 VanDerWaalsContact C-N 3.34Å; E182-A184 PolarHBondContact O-N 2.63Å; E182-Q185 PolarHBondContact O-N 2.04Å; E182-S186 PolarHBondContact O-N 3.47Å
183S56.5Low74.2Confident54 Ų5488.4 Ų88.438%0.37848%0.478SS..Hα-helixtrans-64.6-34.3174.8138.50000112.5S181 K187S181-S183 PolarHBondContact O-N 3.44Å; S181-S183 WeakPolarHBondContact OG-CB 3.28Å; S181-S183 PolarHBondContact OG-N 3.11Å; S183-K187 VanDerWaalsContact O-CB 3.28Å; S183-K187 WeakPolarHBondContact O-CB 3.48Å; S183-K187 WeakPolarHBondContact O-CD 3.26Å; S183-K187 WeakPolarHBondContact O-CG 3.23Å; S183-K187 PolarHBondContact O-N 2.91Å; S183-K187 WeakPolarHBondContact OG-CE 3.41Å; S183-K187 PolarHBondContact OG-NZ 3.43Å
184A56.7Low73.4Confident52 Ų5287.9 Ų87.943%0.4349%0.486SS..Hα-helixtrans-69.8-37.5176.700000111.9S181 E182 M188S181-A184 WeakPolarHBondContact O-CB 3.32Å; S181-A184 PolarHBondContact O-N 2.87Å; E182-A184 VanDerWaalsContact C-N 3.34Å; E182-A184 PolarHBondContact O-N 2.63Å; A184-M188 PolarHBondContact O-N 2.77Å; A184-M188 VanDerWaalsContact O-N 3.08Å
185Q59.4Low72.7Confident118 Ų11890.6 Ų90.655%0.55149%0.491SS*.Hα-helixtrans-67.7-43176.5-125.6172.8-19.200111.9S181 E182 M188 L189S181-Q185 PolarHBondContact O-N 2.96Å; E182-Q185 PolarHBondContact O-N 2.04Å; Q185-M188 PolarHBondContact O-N 3.46Å; Q185-L189 PolarHBondContact O-N 3.36Å
186S59.8Low72.1Confident82 Ų8292.2 Ų92.257%0.57350%0.501SS*.Hα-helixtrans-65.1-42.7175.2171.10000112.4E182 M188 L189 S190E182-S186 PolarHBondContact O-N 3.47Å; S186-M188 VanDerWaalsContact C-N 3.34Å; S186-M188 PolarHBondContact O-N 2.96Å; S186-L189 PolarHBondContact O-N 3.41Å; S186-S190 PolarHBondContact O-N 2.78Å
187K63Low71.7Confident147 Ų14791.6 Ų91.664%0.63950%0.501SS*.Hα-helixtrans-64.7-36.4177.7-74.9172.6-176.8-179.40112.6S183 G191S183-K187 VanDerWaalsContact O-CB 3.28Å; S183-K187 WeakPolarHBondContact O-CB 3.48Å; S183-K187 WeakPolarHBondContact O-CD 3.26Å; S183-K187 WeakPolarHBondContact O-CG 3.23Å; S183-K187 PolarHBondContact O-N 2.91Å; S183-K187 WeakPolarHBondContact OG-CE 3.41Å; S183-K187 PolarHBondContact OG-NZ 3.43Å; K187-G191 PolarHBondContact O-N 3.13Å
188M59.8Low71.4Confident132 Ų13290.6 Ų90.665%0.6551%0.507SS*.Hα-helixtrans-67-43.2176.4-137.2-166.8107.100112A184 Q185 S186 G191 V192A184-M188 PolarHBondContact O-N 2.77Å; A184-M188 VanDerWaalsContact O-N 3.08Å; Q185-M188 PolarHBondContact O-N 3.46Å; S186-M188 VanDerWaalsContact C-N 3.34Å; S186-M188 PolarHBondContact O-N 2.96Å; M188-G191 PolarHBondContact O-N 3.38Å; M188-V192 WeakPolarHBondContact O-CG2 3.44Å; M188-V192 PolarHBondContact O-N 2.75Å
189L60.4Low71.4Confident136 Ų13688.5 Ų88.571%0.71251%0.505SS*.Hα-helixtrans-63.3-41.8176.3-105.693.1000112.3Q185 S186 G191 V192 G193Q185-L189 PolarHBondContact O-N 3.36Å; S186-L189 PolarHBondContact O-N 3.41Å; L189-G191 VanDerWaalsContact C-N 3.32Å; L189-G191 PolarHBondContact O-N 3.08Å; L189-V192 PolarHBondContact O-N 2.87Å; L189-G193 PolarHBondContact O-N 3.23Å; L189-G193 VanDerWaalsContact O-N 3.08Å
190S69.3Low71.8Confident89 Ų8993.7 Ų93.762%0.62253%0.531SS*.Hα-helixtrans-65.6-36.4176.4-168.10000112.1S186 G194S186-S190 PolarHBondContact O-N 2.78Å; S190-G194 PolarHBondContact O-N 3.01Å
191G70.5Confident72.6Confident46 Ų4692.4 Ų92.447%0.47453%0.531SS..Hα-helixtrans-67.1-42.7177.300000113.1K187 M188 L189 G194 F195K187-G191 PolarHBondContact O-N 3.13Å; M188-G191 PolarHBondContact O-N 3.38Å; L189-G191 VanDerWaalsContact C-N 3.32Å; L189-G191 PolarHBondContact O-N 3.08Å; G191-G194 PolarHBondContact O-N 3.35Å; G191-F195 PolarHBondContact O-N 3.39Å
192V75.6Confident74Confident83 Ų8395.5 Ų95.550%0.50354%0.543SS..Hα-helixtrans-64.7-42.3175.7174.20000110.9M188 L189 G194 F195 V196M188-V192 WeakPolarHBondContact O-CG2 3.44Å; M188-V192 PolarHBondContact O-N 2.75Å; L189-V192 PolarHBondContact O-N 2.87Å; V192-G194 PolarHBondContact O-N 3.27Å; V192-F195 PolarHBondContact O-N 3.4Å; V192-V196 WeakPolarHBondContact O-CG2 3.32Å; V192-V196 PolarHBondContact O-N 3.47Å; V192-V196 VanDerWaalsContact O-N 3.07Å
193G71.9Confident75.5Confident36 Ų3690.4 Ų90.437%0.37153%0.53SS..Hα-helixtrans-59.2-43.9174.800000112.9L189 L197L189-G193 PolarHBondContact O-N 3.23Å; L189-G193 VanDerWaalsContact O-N 3.08Å; G193-L197 WeakPolarHBondContact O-CG 3.31Å; G193-L197 PolarHBondContact O-N 3.17Å; G193-L197 VanDerWaalsContact O-N 3.17Å
194G80.9Confident77.1Confident45 Ų4590.3 Ų90.346%0.46453%0.533SS..Hα-helixtrans-65.1-39.2176.500000113.5S190 G191 V192 L197 G198S190-G194 PolarHBondContact O-N 3.01Å; G191-G194 PolarHBondContact O-N 3.35Å; V192-G194 PolarHBondContact O-N 3.27Å; G194-L197 PolarHBondContact O-N 3.42Å; G194-G198 PolarHBondContact O-N 2.89Å
195F82.9Confident78.7Confident142 Ų14289.7 Ų89.762%0.62353%0.532SS*.Hα-helixtrans-67.7-41.7179.6-167.7-101.9000112.4G191 V192 G198 L199G191-F195 PolarHBondContact O-N 3.39Å; V192-F195 PolarHBondContact O-N 3.4Å; F195-G198 PolarHBondContact O-N 2.81Å; F195-L199 HydrophobicContact CD1-CD1 3.85Å; F195-L199 HydrophobicContact CD1-CG 4.35Å; F195-L199 HydrophobicContact CE1-CD1 3.51Å; F195-L199 HydrophobicContact CE1-CG 4.1Å; F195-L199 HydrophobicContact CZ-CD1 4.27Å; F195-L199 HydrophobicContact CZ-CG 4.49Å; F195-L199 PolarHBondContact O-N 2.74Å
196V86.3Confident80.1Confident77 Ų7788.9 Ų88.947%0.46753%0.531SS..Hα-helixtrans-63.8-44.4176.5173.60000110.9V192 G198 L199 L200V192-V196 WeakPolarHBondContact O-CG2 3.32Å; V192-V196 PolarHBondContact O-N 3.47Å; V192-V196 VanDerWaalsContact O-N 3.07Å; V196-G198 VanDerWaalsContact C-N 3.34Å; V196-G198 PolarHBondContact O-N 3.04Å; V196-L199 PolarHBondContact O-N 3.49Å; V196-L200 HydrophobicContact CG1-CD1 4.38Å; V196-L200 WeakPolarHBondContact O-CG 3.44Å; V196-L200 PolarHBondContact O-N 3.45Å; V196-L200 VanDerWaalsContact O-N 3.1Å
197L87.5Confident81.4Confident101 Ų10191.4 Ų91.453%0.52953%0.532SS..Hα-helixtrans-61.1-43.1175-73.9167.5000111.5G193 G194 L199 L200 F201G193-L197 WeakPolarHBondContact O-CG 3.31Å; G193-L197 PolarHBondContact O-N 3.17Å; G193-L197 VanDerWaalsContact O-N 3.17Å; G194-L197 PolarHBondContact O-N 3.42Å; L197-L199 PolarHBondContact O-N 2.96Å; L197-L200 PolarHBondContact O-N 2.83Å; L197-F201 WeakPolarHBondContact O-CD2 3.35Å; L197-F201 PolarHBondContact O-N 3.14Å; L197-F201 VanDerWaalsContact O-N 3.12Å
198G87.3Confident82.5Confident31 Ų3189.4 Ų89.432%0.3253%0.527SS..Hα-helixtrans-60.1-43.2176.600000113.5G194 F195 V196 L200 F201 L202G194-G198 PolarHBondContact O-N 2.89Å; F195-G198 PolarHBondContact O-N 2.81Å; V196-G198 VanDerWaalsContact C-N 3.34Å; V196-G198 PolarHBondContact O-N 3.04Å; G198-L200 PolarHBondContact O-N 2.88Å; G198-F201 PolarHBondContact O-N 3.19Å; G198-L202 WeakPolarHBondContact O-CB 3.36Å; G198-L202 WeakPolarHBondContact O-CG 3.43Å; G198-L202 PolarHBondContact O-N 3.35Å
199L92.4Very high83.8Confident96 Ų9689.6 Ų89.650%0.50352%0.521SS..Hα-helixtrans-65.2-36.8176.5-74.5176.4000112.8F195 V196 L197 L202 G203F195-L199 HydrophobicContact CD1-CD1 3.85Å; F195-L199 HydrophobicContact CD1-CG 4.35Å; F195-L199 HydrophobicContact CE1-CD1 3.51Å; F195-L199 HydrophobicContact CE1-CG 4.1Å; F195-L199 HydrophobicContact CZ-CD1 4.27Å; F195-L199 HydrophobicContact CZ-CG 4.49Å; F195-L199 PolarHBondContact O-N 2.74Å; V196-L199 PolarHBondContact O-N 3.49Å; L197-L199 PolarHBondContact O-N 2.96Å; L199-L202 PolarHBondContact O-N 2.87Å; L199-G203 PolarHBondContact O-N 3.4Å
200L91Very high84.8Confident116 Ų11688.5 Ų88.561%0.60751%0.511SS*.Hα-helixtrans-63.5-45175.5-72.6169.8000111.5V196 L197 G198 G203 A204V196-L200 HydrophobicContact CG1-CD1 4.38Å; V196-L200 WeakPolarHBondContact O-CG 3.44Å; V196-L200 PolarHBondContact O-N 3.45Å; V196-L200 VanDerWaalsContact O-N 3.1Å; L197-L200 PolarHBondContact O-N 2.83Å; G198-L200 PolarHBondContact O-N 2.88Å; L200-G203 PolarHBondContact O-N 3.02Å; L200-A204 WeakPolarHBondContact O-CB 3.31Å; L200-A204 PolarHBondContact O-N 3.18Å
201F90.8Very high85.3Confident160 Ų16092.7 Ų92.770%0.70251%0.513SS*.Hα-helixtrans-66.2-40.8176.7-77.3-66.5000112.5L197 G198 A204 G205L197-F201 WeakPolarHBondContact O-CD2 3.35Å; L197-F201 PolarHBondContact O-N 3.14Å; L197-F201 VanDerWaalsContact O-N 3.12Å; G198-F201 PolarHBondContact O-N 3.19Å; F201-A204 PolarHBondContact O-N 3.4Å; F201-G205 PolarHBondContact O-N 2.94Å
202L91.6Very high85.4Confident114 Ų11496.4 Ų96.460%0.59752%0.522SS*.Hα-helixtrans-63.1-44.4175-81.4165.5000111.9G198 L199 G205 L206G198-L202 WeakPolarHBondContact O-CB 3.36Å; G198-L202 WeakPolarHBondContact O-CG 3.43Å; G198-L202 PolarHBondContact O-N 3.35Å; L199-L202 PolarHBondContact O-N 2.87Å; L202-G205 PolarHBondContact O-N 3.45Å; L202-L206 WeakPolarHBondContact O-CB 3.39Å; L202-L206 PolarHBondContact O-N 3.18Å
203G91Very high85.1Confident41 Ų4197.3 Ų97.342%0.42352%0.521SS..Hα-helixtrans-62.4-45.6176.900000112.5L199 L200 L206 F207L199-G203 PolarHBondContact O-N 3.4Å; L200-G203 PolarHBondContact O-N 3.02Å; G203-L206 PolarHBondContact O-N 3.35Å; G203-F207 WeakPolarHBondContact O-CB 3.3Å; G203-F207 PolarHBondContact O-N 3.39Å
204A90.9Very high84.5Confident53 Ų53104.3 Ų104.344%0.43854%0.541SS..Hα-helixtrans-62.8-42.9175.300000111.9L200 F201 F207 I208L200-A204 WeakPolarHBondContact O-CB 3.31Å; L200-A204 PolarHBondContact O-N 3.18Å; F201-A204 PolarHBondContact O-N 3.4Å; A204-F207 PolarHBondContact O-N 3.22Å; A204-I208 WeakPolarHBondContact O-CG1 3.22Å; A204-I208 PolarHBondContact O-N 3.37Å
205G89.4Confident83.3Confident39 Ų39105.1 Ų105.140%0.40255%0.549SS..Hα-helixtrans-60.7-46.8175.800000112.6F201 L202 F207 I208 Y209F201-G205 PolarHBondContact O-N 2.94Å; L202-G205 PolarHBondContact O-N 3.45Å; G205-F207 VanDerWaalsContact C-N 3.34Å; G205-F207 PolarHBondContact O-N 3.38Å; G205-I208 PolarHBondContact O-N 3.25Å; G205-Y209 WeakPolarHBondContact O-CB 3.49Å; G205-Y209 PolarHBondContact O-N 3.34Å
206L89.9Confident81.8Confident101 Ų101106.8 Ų106.853%0.52956%0.559SS.*Hα-helixtrans-60.1-44.3175-11784.7000111.4L202 G203 I208 Y209 F210L202-L206 WeakPolarHBondContact O-CB 3.39Å; L202-L206 PolarHBondContact O-N 3.18Å; G203-L206 PolarHBondContact O-N 3.35Å; L206-I208 PolarHBondContact O-N 3.23Å; L206-Y209 PolarHBondContact O-N 3.22Å; L206-F210 HydrophobicContact CB-CD2 4.48Å; L206-F210 HydrophobicContact CD2-CD2 4.44Å; L206-F210 HydrophobicContact CD2-CE2 3.76Å; L206-F210 HydrophobicContact CG-CD2 4.35Å; L206-F210 HydrophobicContact CG-CE2 3.96Å; L206-F210 WeakPolarHBondContact O-CD2 3.47Å; L206-F210 PolarHBondContact O-N 2.92Å
207F86.6Confident80Confident134 Ų134108.4 Ų108.459%0.58857%0.573SS**Hα-helixtrans-61.9-44.1-179.9-177.8-98.2000112.3G203 A204 G205 R211G203-F207 WeakPolarHBondContact O-CB 3.3Å; G203-F207 PolarHBondContact O-N 3.39Å; A204-F207 PolarHBondContact O-N 3.22Å; G205-F207 VanDerWaalsContact C-N 3.34Å; G205-F207 PolarHBondContact O-N 3.38Å; F207-R211 HydrophobicContact CE1-CG 4.47Å; F207-R211 PolarHBondContact O-N 3.1Å
208I85.7Confident78.3Confident106 Ų106106.6 Ų106.654%0.54458%0.58SS.*Hα-helixtrans-64.3-45.1175.5-66.8169.5000110.5A204 G205 L206 F210 R211 N212A204-I208 WeakPolarHBondContact O-CG1 3.22Å; A204-I208 PolarHBondContact O-N 3.37Å; G205-I208 PolarHBondContact O-N 3.25Å; L206-I208 PolarHBondContact O-N 3.23Å; I208-F210 PolarHBondContact O-N 3.02Å; I208-R211 PolarHBondContact O-N 3.1Å; I208-N212 PolarHBondContact O-N 3.26Å
209Y87.7Confident76.2Confident136 Ų136113.4 Ų113.453%0.53361%0.608SS.*Hα-helixtrans-57.9-48.4178.3177.2-98.5000112.3G205 L206 R211 N212 Q213G205-Y209 WeakPolarHBondContact O-CB 3.49Å; G205-Y209 PolarHBondContact O-N 3.34Å; L206-Y209 PolarHBondContact O-N 3.22Å; Y209-R211 PolarHBondContact O-N 3.27Å; Y209-N212 PolarHBondContact O-N 2.94Å; Y209-Q213 HydrophobicContact CE1-CG 4.3Å; Y209-Q213 PolarHBondContact O-N 3.28Å; Y209-Q213 PolarHBondContact OH-NE2 3.25Å
210F81.5Confident73.7Confident113 Ų113117.5 Ų117.550%0.49662%0.624SS.*Hα-helixtrans-68-32.2177.7-78.9-63.9000113.4L206 I208 K214L206-F210 HydrophobicContact CB-CD2 4.48Å; L206-F210 HydrophobicContact CD2-CD2 4.44Å; L206-F210 HydrophobicContact CD2-CE2 3.76Å; L206-F210 HydrophobicContact CG-CD2 4.35Å; L206-F210 HydrophobicContact CG-CE2 3.96Å; L206-F210 WeakPolarHBondContact O-CD2 3.47Å; L206-F210 PolarHBondContact O-N 2.92Å; I208-F210 PolarHBondContact O-N 3.02Å; F210-K214 PolarHBondContact O-N 3.16Å
211R79.4Confident71.6Confident177 Ų177117.4 Ų117.467%0.66863%0.631SS**Hα-helixtrans-63.9-41.3170.8-98.8-177.366.8156-1.7111.9F207 I208 Y209 K214F207-R211 HydrophobicContact CE1-CG 4.47Å; F207-R211 PolarHBondContact O-N 3.1Å; I208-R211 PolarHBondContact O-N 3.1Å; Y209-R211 PolarHBondContact O-N 3.27Å; R211-K214 PolarHBondContact O-N 3.05Å
212N73.7Confident69.6Low124 Ų124116 Ų11666%0.66364%0.636SS**Hα-helixtrans-69.2-37.2179.3-106.67.4000112.6I208 Y209 K214 G215I208-N212 PolarHBondContact O-N 3.26Å; Y209-N212 PolarHBondContact O-N 2.94Å; N212-K214 VanDerWaalsContact C-N 3.3Å; N212-K214 PolarHBondContact O-N 3.37Å; N212-G215 PolarHBondContact O-N 2.92Å; N212-G215 VanDerWaalsContact O-N 3.14Å
213Q69.3Low67Low101 Ų101114.4 Ų114.447%0.47265%0.646SS.*Hα-helixtrans-64.8-32.4174.7-76.1-161.1-30.600113.1Y209 G215Y209-Q213 HydrophobicContact CE1-CG 4.3Å; Y209-Q213 PolarHBondContact O-N 3.28Å; Y209-Q213 PolarHBondContact OH-NE2 3.25Å; Q213-G215 PolarHBondContact O-N 2.97Å
214K58.8Low64.9Low183 Ų183121.6 Ų121.680%0.79667%0.666SS**THydrogen-bonded Turntrans-71.7-14.1174.5-76.4-176.4177.3-178.40114.1F210 R211 N212F210-K214 PolarHBondContact O-N 3.16Å; R211-K214 PolarHBondContact O-N 3.05Å; N212-K214 VanDerWaalsContact C-N 3.3Å; N212-K214 PolarHBondContact O-N 3.37Å
215G55.3Low62.4Low62 Ų62126.4 Ų126.464%0.63968%0.684SS**THydrogen-bonded Turntrans-87.5-4.9178.700000115.6N212 Q213N212-G215 PolarHBondContact O-N 2.92Å; N212-G215 VanDerWaalsContact O-N 3.14Å; Q213-G215 PolarHBondContact O-N 2.97Å
216H51.1Low60.2Low177 Ų177133.8 Ų133.882%0.81973%0.729SS**SBendtrans-104.56.8-178.1-94.156.5000114.7
217S50.2Low58.7Low111 Ų111135.5 Ų135.578%0.77674%0.739SS**SBendtrans-112.368.4179.6-54.90000111.7
218G51.5Low57.2Low64 Ų64135.5 Ų135.566%0.6675%0.747SS**  trans163.197.3165.700000115.6
219L42.8Very low55.7Low173 Ų173137.2 Ų137.291%0.90676%0.759SS**  168.6111.3129.6-95.5147.4000109.9
220Q40.7Very low53.8Low182 Ų182137.2 Ų137.285%0.8577%0.772SS**  trans-123.1113.4161.3-153.8-1759.700106.9
221P45.5Very low52Low115 Ų115138.8 Ų138.875%0.74779%0.789SS**  trans-91.1115.5164.519.9-5.2000108.8G223P221-G223 PolarHBondContact O-N 2.93Å
222T48.4Very low50.2Low131 Ų131136.2 Ų136.280%0.80480%0.797SS**  trans-73.5111.9161400000108.9
223G38.8Very low48.5Very low79 Ų79137.1 Ų137.181%0.81481%0.807SS**  trans-126.7127.4169.800000109.9P221P221-G223 PolarHBondContact O-N 2.93Å
224F44.9Very low47Very low192 Ų192139.8 Ų139.884%0.84283%0.832SS**  trans-89.2162.1-165.9-114.3-79.4000113.6
225L39.6Very low46Very low155 Ų155136.3 Ų136.381%0.81284%0.836SS**  trans81.1124.4147.6-68.7167.7000121.9
226S42.9Very low45.1Very low194 Ų194143 Ų143100%1.35785%0.853SS**  trans78.80150.4-125.50000120.7

Retrieved 226 of 226 residues in 1002.1 ms (Link to these results)

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