A0A087YA85_POEFO Loading...

Cholinergic receptor, nicotinic, alpha 6

AlphaFold DB , UniProt , Accession A0A087YA85, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 568 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
1A86.8Confident92.9Very high54 Ų5489.7 Ų89.745%0.44640%0.396SS..  0-30.3000000114.6D3 R4 L5 D71 I73A1-D3 PolarHBondContact O-N 2.65Å; A1-R4 WeakPolarHBondContact O-CB 3.39Å; A1-R4 PolarHBondContact O-N 3.09Å; A1-R4 VanDerWaalsContact O-N 3.08Å; A1-L5 PolarHBondContact O-N 3.28Å; A1-D71 HydrophobicContact CB-CB 3.56Å; A1-I73 HydrophobicContact CB-CD1 3.83Å
2E90.7Very high92.8Very high103 Ų103100.7 Ų100.748%0.48143%0.432SS..Hα-helixtrans-53.6-46.2-169.9-161.7177.5177.400116.2R4 L5 F6 I73 I76E2-R4 VanDerWaalsContact C-N 3.29Å; E2-R4 PolarHBondContact O-N 3.3Å; E2-L5 WeakPolarHBondContact O-CA 3.17Å; E2-L5 WeakPolarHBondContact O-CB 3.48Å; E2-L5 PolarHBondContact O-N 3.34Å; E2-F6 PolarHBondContact O-N 3.33Å; E2-I73 HydrophobicContact CB-CD1 3.78Å; E2-I73 HydrophobicContact CG-CD1 4.36Å; E2-I76 HydrophobicContact CG-CD1 3.73Å; E2-I76 HydrophobicContact CG-CG1 4.04Å
3D93.3Very high93Very high91 Ų9195.5 Ų95.549%0.48741%0.409SS..Hα-helixtrans-60.3-36.517717058.1000112.7A1 L5 F6 R7A1-D3 PolarHBondContact O-N 2.65Å; D3-L5 VanDerWaalsContact C-N 3.33Å; D3-L5 PolarHBondContact O-N 3Å; D3-F6 PolarHBondContact O-N 3.48Å; D3-R7 VanDerWaalsContact CG-NE 3.3Å; D3-R7 WeakPolarHBondContact O-CB 3.17Å; D3-R7 VanDerWaalsContact O-CG 3.31Å; D3-R7 WeakPolarHBondContact O-CG 3.38Å; D3-R7 PolarHBondContact O-N 2.97Å; D3-R7 IonicContact OD1-CZ 2.71Å; D3-R7 IonicContact OD1-NE 2.7Å; D3-R7 PolarHBondContact OD1-NE 3.35Å; D3-R7 IonicContact OD1-NH2 2.71Å; D3-R7 PolarHBondContact OD1-NH2 3.15Å; D3-R7 IonicContact OD2-CZ 3.24Å; D3-R7 IonicContact OD2-NE 3.65Å; D3-R7 PolarHBondContact OD2-NE 3.34Å; D3-R7 IonicContact OD2-NH2 3.19Å; D3-R7 PolarHBondContact OD2-NH2 2.96Å
4R94Very high93.1Very high151 Ų15194.2 Ų94.257%0.5741%0.409SS*.Hα-helixtrans-64.4-39.5174.5-173.218072.2-161.94.6111.3A1 E2 K8 E69 F70A1-R4 WeakPolarHBondContact O-CB 3.39Å; A1-R4 PolarHBondContact O-N 3.09Å; A1-R4 VanDerWaalsContact O-N 3.08Å; E2-R4 VanDerWaalsContact C-N 3.29Å; E2-R4 PolarHBondContact O-N 3.3Å; R4-K8 WeakPolarHBondContact O-CB 3.34Å; R4-K8 PolarHBondContact O-N 3.26Å; R4-K8 VanDerWaalsContact O-N 3.08Å; R4-E69 PolarHBondContact NH2-O 3.08Å; R4-F70 HydrophobicContact CG-CE1 4.31Å
5L94.4Very high93.1Very high0 Ų093.1 Ų93.10%041%0.406CS..Hα-helixtrans-65.2-50.8174.6175.460.8000110.7A1 E2 D3 R7 K8 L9 W65 F70 I73 I76A1-L5 PolarHBondContact O-N 3.28Å; E2-L5 WeakPolarHBondContact O-CA 3.17Å; E2-L5 WeakPolarHBondContact O-CB 3.48Å; E2-L5 PolarHBondContact O-N 3.34Å; D3-L5 VanDerWaalsContact C-N 3.33Å; D3-L5 PolarHBondContact O-N 3Å; L5-R7 VanDerWaalsContact C-N 3.34Å; L5-R7 PolarHBondContact O-N 2.66Å; L5-K8 WeakPolarHBondContact O-CA 3.42Å; L5-K8 WeakPolarHBondContact O-CB 3.14Å; L5-K8 PolarHBondContact O-N 3.29Å; L5-L9 HydrophobicContact CD1-CD1 3.9Å; L5-L9 HydrophobicContact CD1-CD2 4.37Å; L5-L9 HydrophobicContact CD1-CG 3.94Å; L5-L9 HydrophobicContact CG-CD1 3.9Å; L5-L9 HydrophobicContact CG-CG 4.35Å; L5-L9 WeakPolarHBondContact O-CG 3.46Å; L5-L9 PolarHBondContact O-N 3.16Å; L5-W65 HydrophobicContact CD1-CB 3.8Å; L5-W65 HydrophobicContact CD1-CD2 3.97Å; L5-W65 HydrophobicContact CD1-CE3 4.48Å; L5-W65 HydrophobicContact CD1-CG 3.64Å; L5-W65 HydrophobicContact CD2-CD2 3.87Å; L5-W65 HydrophobicContact CD2-CG 4.09Å; L5-W65 HydrophobicContact CD2-CZ2 4.09Å; L5-W65 HydrophobicContact CG-CD2 4.48Å; L5-F70 HydrophobicContact CB-CD1 3.64Å; L5-F70 HydrophobicContact CB-CE1 3.99Å; L5-F70 HydrophobicContact CB-CG 4.07Å; L5-F70 HydrophobicContact CD1-CD1 4.23Å; L5-F70 HydrophobicContact CD1-CD2 3.92Å; L5-F70 HydrophobicContact CD1-CE1 4.27Å; L5-F70 HydrophobicContact CD1-CE2 3.98Å; L5-F70 HydrophobicContact CD1-CG 4.08Å; L5-F70 HydrophobicContact CD1-CZ 4.19Å; L5-F70 HydrophobicContact CG-CD1 4.44Å; L5-F70 HydrophobicContact CG-CG 4.44Å; L5-I73 HydrophobicContact CD2-CG2 4.07Å; L5-I76 HydrophobicContact CD2-CD1 4.44Å
6F94.4Very high93Very high48 Ų4897.3 Ų97.321%0.21143%0.425CS..Hα-helixtrans-54.8-48.1178.7-171.7-89.6000111.7E2 D3 K8 L9 F10 I76 V78 K82E2-F6 PolarHBondContact O-N 3.33Å; D3-F6 PolarHBondContact O-N 3.48Å; F6-K8 VanDerWaalsContact C-N 3.34Å; F6-K8 PolarHBondContact O-N 3.41Å; F6-L9 PolarHBondContact O-N 3.07Å; F6-F10 HydrophobicContact CD1-CD2 4.12Å; F6-F10 AromaticContact CD2-CD2 3.83Å; F6-F10 HydrophobicContact CD2-CD2 3.83Å; F6-F10 AromaticContact CD2-CE2 3.69Å; F6-F10 HydrophobicContact CD2-CE2 3.69Å; F6-F10 AromaticContact CE1-CD2 3.94Å; F6-F10 HydrophobicContact CE1-CD2 3.94Å; F6-F10 AromaticContact CE2-CD2 3.65Å; F6-F10 HydrophobicContact CE2-CD2 3.65Å; F6-F10 AromaticContact CE2-CE2 3.41Å; F6-F10 HydrophobicContact CE2-CE2 3.41Å; F6-F10 VanDerWaalsContact CE2-CE2 3.41Å; F6-F10 HydrophobicContact CE2-CZ 4.41Å; F6-F10 HydrophobicContact CG-CD2 4.06Å; F6-F10 HydrophobicContact CG-CE2 4.37Å; F6-F10 AromaticContact CZ-CD2 3.7Å; F6-F10 HydrophobicContact CZ-CD2 3.7Å; F6-F10 AromaticContact CZ-CE2 3.87Å; F6-F10 HydrophobicContact CZ-CE2 3.87Å; F6-F10 WeakPolarHBondContact O-CD2 3.36Å; F6-F10 PolarHBondContact O-N 3.46Å; F6-F10 VanDerWaalsContact O-N 3.1Å; F6-I76 HydrophobicContact CB-CD1 4.06Å; F6-I76 HydrophobicContact CD2-CD1 4.06Å; F6-V78 HydrophobicContact CD2-CG1 4.29Å; F6-V78 HydrophobicContact CE2-CB 4.26Å; F6-V78 HydrophobicContact CE2-CG1 4.04Å; F6-K82 HydrophobicContact CZ-CD 4.3Å
7R93.8Very high93Very high170 Ų17097.5 Ų97.564%0.64243%0.43SS*.Hα-helixtrans-64.7-33.4175.8-66.4-179.2-157.8-15913.5113.1D3 L5 R11D3-R7 VanDerWaalsContact CG-NE 3.3Å; D3-R7 WeakPolarHBondContact O-CB 3.17Å; D3-R7 VanDerWaalsContact O-CG 3.31Å; D3-R7 WeakPolarHBondContact O-CG 3.38Å; D3-R7 PolarHBondContact O-N 2.97Å; D3-R7 IonicContact OD1-CZ 2.71Å; D3-R7 IonicContact OD1-NE 2.7Å; D3-R7 PolarHBondContact OD1-NE 3.35Å; D3-R7 IonicContact OD1-NH2 2.71Å; D3-R7 PolarHBondContact OD1-NH2 3.15Å; D3-R7 IonicContact OD2-CZ 3.24Å; D3-R7 IonicContact OD2-NE 3.65Å; D3-R7 PolarHBondContact OD2-NE 3.34Å; D3-R7 IonicContact OD2-NH2 3.19Å; D3-R7 PolarHBondContact OD2-NH2 2.96Å; L5-R7 VanDerWaalsContact C-N 3.34Å; L5-R7 PolarHBondContact O-N 2.66Å; R7-R11 WeakPolarHBondContact O-CB 3.28Å; R7-R11 PolarHBondContact O-N 3.01Å
8K93.4Very high93.1Very high117 Ų11793.9 Ų93.951%0.50941%0.413SS..Hα-helixtrans-66.7-48.3175.7-175.9-179178.3-171.50110.9R4 L5 F6 E69 F70R4-K8 WeakPolarHBondContact O-CB 3.34Å; R4-K8 PolarHBondContact O-N 3.26Å; R4-K8 VanDerWaalsContact O-N 3.08Å; L5-K8 WeakPolarHBondContact O-CA 3.42Å; L5-K8 WeakPolarHBondContact O-CB 3.14Å; L5-K8 PolarHBondContact O-N 3.29Å; F6-K8 VanDerWaalsContact C-N 3.34Å; F6-K8 PolarHBondContact O-N 3.41Å; K8-E69 IonicContact NZ-OE2 3.33Å; K8-E69 PolarHBondContact NZ-OE2 3.31Å; K8-F70 HydrophobicContact CD-CE1 4.4Å; K8-F70 HydrophobicContact CD-CE2 4.19Å; K8-F70 HydrophobicContact CD-CZ 3.5Å; K8-F70 VanDerWaalsContact CD-CZ 3.5Å
9L94.1Very high93.3Very high20 Ų2089.4 Ų89.411%0.10539%0.394CS..Hα-helixtrans-62.3-52.7-178.4-67.5172.3000111.9L5 F6 R11 L63 W65L5-L9 HydrophobicContact CD1-CD1 3.9Å; L5-L9 HydrophobicContact CD1-CD2 4.37Å; L5-L9 HydrophobicContact CD1-CG 3.94Å; L5-L9 HydrophobicContact CG-CD1 3.9Å; L5-L9 HydrophobicContact CG-CG 4.35Å; L5-L9 WeakPolarHBondContact O-CG 3.46Å; L5-L9 PolarHBondContact O-N 3.16Å; F6-L9 PolarHBondContact O-N 3.07Å; L9-R11 VanDerWaalsContact C-N 3.35Å; L9-R11 PolarHBondContact O-N 2.99Å; L9-L63 HydrophobicContact CB-CD2 4.23Å; L9-L63 HydrophobicContact CD2-CD2 4.38Å; L9-W65 HydrophobicContact CD1-CE3 4.11Å; L9-W65 HydrophobicContact CD1-CZ3 4.31Å; L9-W65 HydrophobicContact CD2-CE3 4.34Å
10F95.3Very high93.4Very high39 Ų3986.2 Ų86.217%0.17138%0.382CS..Hα-helixtrans-84.62.8-171.9-68.1-72.8000115.3F6 R12 Y13 V78 K82 I83F6-F10 HydrophobicContact CD1-CD2 4.12Å; F6-F10 AromaticContact CD2-CD2 3.83Å; F6-F10 HydrophobicContact CD2-CD2 3.83Å; F6-F10 AromaticContact CD2-CE2 3.69Å; F6-F10 HydrophobicContact CD2-CE2 3.69Å; F6-F10 AromaticContact CE1-CD2 3.94Å; F6-F10 HydrophobicContact CE1-CD2 3.94Å; F6-F10 AromaticContact CE2-CD2 3.65Å; F6-F10 HydrophobicContact CE2-CD2 3.65Å; F6-F10 AromaticContact CE2-CE2 3.41Å; F6-F10 HydrophobicContact CE2-CE2 3.41Å; F6-F10 VanDerWaalsContact CE2-CE2 3.41Å; F6-F10 HydrophobicContact CE2-CZ 4.41Å; F6-F10 HydrophobicContact CG-CD2 4.06Å; F6-F10 HydrophobicContact CG-CE2 4.37Å; F6-F10 AromaticContact CZ-CD2 3.7Å; F6-F10 HydrophobicContact CZ-CD2 3.7Å; F6-F10 AromaticContact CZ-CE2 3.87Å; F6-F10 HydrophobicContact CZ-CE2 3.87Å; F6-F10 WeakPolarHBondContact O-CD2 3.36Å; F6-F10 PolarHBondContact O-N 3.46Å; F6-F10 VanDerWaalsContact O-N 3.1Å; F10-R12 VanDerWaalsContact C-N 3.31Å; F10-R12 PolarHBondContact O-N 3.07Å; F10-Y13 HydrophobicContact CD1-CD1 4.46Å; F10-Y13 HydrophobicContact CD1-CG 4.45Å; F10-V78 HydrophobicContact CE2-CB 4.25Å; F10-V78 HydrophobicContact CE2-CG1 3.82Å; F10-V78 HydrophobicContact CZ-CB 4.02Å; F10-V78 HydrophobicContact CZ-CG1 3.91Å; F10-V78 HydrophobicContact CZ-CG2 4.21Å; F10-K82 HydrophobicContact CD1-CB 4.36Å; F10-K82 HydrophobicContact CE1-CB 4.04Å; F10-K82 WeakPolarHBondContact CE1-O 3.29Å; F10-I83 HydrophobicContact CE1-CG2 3.81Å; F10-I83 HydrophobicContact CZ-CG2 3.9Å
11R91.8Very high93.4Very high194 Ų19489 Ų8973%0.73240%0.397SS*.THydrogen-bonded Turntrans-64.2-30-176.5-167.217766.3160.6-0.2114.5R7 L9R7-R11 WeakPolarHBondContact O-CB 3.28Å; R7-R11 PolarHBondContact O-N 3.01Å; L9-R11 VanDerWaalsContact C-N 3.35Å; L9-R11 PolarHBondContact O-N 2.99Å
12R91.6Very high93.7Very high221 Ų22190.2 Ų90.283%0.83440%0.395SS*.THydrogen-bonded Turntrans-142.330.1-178.1-67.2-171.6178.1175.8-2.5112.2F10F10-R12 VanDerWaalsContact C-N 3.31Å; F10-R12 PolarHBondContact O-N 3.07Å
13Y95.8Very high93.9Very high34 Ų3491 Ų9113%0.13341%0.407CS..  trans-86.7136.6178-170.2-92000110.2F10 Q15 D60 K62 L63 K82 W84F10-Y13 HydrophobicContact CD1-CD1 4.46Å; F10-Y13 HydrophobicContact CD1-CG 4.45Å; Y13-Q15 HydrophobicContact CE1-CB 4.3Å; Y13-D60 WeakPolarHBondContact CE2-OD2 3.3Å; Y13-D60 VanDerWaalsContact CZ-OD2 3.31Å; Y13-D60 PolarHBondContact OH-OD2 2.7Å; Y13-K62 HydrophobicContact CD2-CB 4.15Å; Y13-K62 HydrophobicContact CD2-CD 4.31Å; Y13-K62 HydrophobicContact CE2-CB 4.13Å; Y13-K62 HydrophobicContact CE2-CD 4.4Å; Y13-L63 HydrophobicContact CD2-CD1 4.45Å; Y13-L63 HydrophobicContact CD2-CD2 3.71Å; Y13-L63 HydrophobicContact CD2-CG 4.12Å; Y13-L63 HydrophobicContact CE2-CD1 3.74Å; Y13-L63 HydrophobicContact CE2-CD2 3.8Å; Y13-L63 HydrophobicContact CE2-CG 3.68Å; Y13-L63 HydrophobicContact CG-CD2 4.47Å; Y13-K82 WeakPolarHBondContact CD1-O 3.34Å; Y13-W84 PolarHBondContact OH-N 3.46Å
14N93.9Very high93.9Very high77 Ų7791.2 Ų91.241%0.41242%0.416SS..  trans-118.4109.4175.4-176.3-12.8000109.2F16 I17N14-F16 PolarHBondContact O-N 2.69Å; N14-F16 WeakPolarHBondContact OD1-CD2 3.35Å; N14-F16 PolarHBondContact OD1-N 3.11Å; N14-F16 VanDerWaalsContact OD1-N 3.11Å; N14-I17 HydrophobicContact CB-CD1 4.08Å; N14-I17 HydrophobicContact CB-CG1 4.31Å; N14-I17 WeakPolarHBondContact ND2-CD1 3.44Å; N14-I17 PolarHBondContact O-N 2.93Å
15Q92.6Very high94Very high77 Ų7787.8 Ų87.836%0.3641%0.409SS..THydrogen-bonded Turntrans-67.2-15.9-175.570.2-166.129.900115.2Y13 N81 W84Y13-Q15 HydrophobicContact CE1-CB 4.3Å; Q15-N81 PolarHBondContact OE1-O 2.8Å; Q15-W84 WeakPolarHBondContact O-CA 3.41Å; Q15-W84 WeakPolarHBondContact O-CB 3.49Å
16F92.6Very high94Very high161 Ų16190.7 Ų90.771%0.70643%0.427SS*.THydrogen-bonded Turntrans-89.5-9.8-178.7-57.3-70.1000113.2N14N14-F16 PolarHBondContact O-N 2.69Å; N14-F16 WeakPolarHBondContact OD1-CD2 3.35Å; N14-F16 PolarHBondContact OD1-N 3.11Å; N14-F16 VanDerWaalsContact OD1-N 3.11Å
17I93.4Very high94.1Very high100 Ų10088.7 Ų88.751%0.51342%0.419SS..SBendtrans-99.4126-177.2-58.3178.4000109.4N14N14-I17 HydrophobicContact CB-CD1 4.08Å; N14-I17 HydrophobicContact CB-CG1 4.31Å; N14-I17 WeakPolarHBondContact ND2-CD1 3.44Å; N14-I17 PolarHBondContact O-N 2.93Å
18R94.9Very high94.3Very high33 Ų3384.1 Ų84.113%0.12541%0.41CS..  trans-55.6129.6175.2-174.7173.660.9101.78.7111.3V20 V23 D25 V27 W84 K153R18-V20 VanDerWaalsContact C-N 3.33Å; R18-V20 HydrophobicContact CG-CG1 4.44Å; R18-V20 PolarHBondContact O-N 3.4Å; R18-V23 PolarHBondContact NH2-O 2.85Å; R18-D25 PolarHBondContact NH1-O 3.09Å; R18-V27 HydrophobicContact CG-CG2 3.48Å; R18-V27 VanDerWaalsContact CG-CG2 3.48Å; R18-W84 HydrophobicContact CB-CZ2 4.42Å; R18-W84 HydrophobicContact CG-CZ2 4.04Å; R18-K153 WeakPolarHBondContact CD-O 3.26Å; R18-K153 PolarHBondContact NH1-O 3.27Å
19P95.4Very high94.4Very high8 Ų878.5 Ų78.55%0.05239%0.386CS..  trans-84.266.8-166.434.6-39.2000113.3V27 D60 Y61 W84P19-V27 HydrophobicContact CG-CG2 4.48Å; P19-D60 HydrophobicContact CB-CB 3.89Å; P19-D60 WeakPolarHBondContact CB-OD1 3.47Å; P19-D60 WeakPolarHBondContact CB-OD2 3.4Å; P19-D60 HydrophobicContact CG-CB 4.31Å; P19-Y61 WeakPolarHBondContact O-CD1 3.16Å; P19-W84 HydrophobicContact CG-CD2 4.11Å; P19-W84 HydrophobicContact CG-CE3 3.65Å; P19-W84 HydrophobicContact CG-CZ3 4.11Å
20V95.4Very high94.6Very high26 Ų2681.6 Ų81.616%0.15840%0.399CS..  trans-116.6147.8176-64.70000112.8R18 N22 V27 Y61R18-V20 VanDerWaalsContact C-N 3.33Å; R18-V20 HydrophobicContact CG-CG1 4.44Å; R18-V20 PolarHBondContact O-N 3.4Å; V20-N22 WeakPolarHBondContact CB-O 3.4Å; V20-N22 WeakPolarHBondContact CG2-O 3.33Å; V20-V27 HydrophobicContact CG1-CG2 3.47Å; V20-V27 VanDerWaalsContact CG1-CG2 3.47Å; V20-Y61 WeakPolarHBondContact O-CE1 3.35Å; V20-Y61 PolarHBondContact O-OH 3.16Å; V20-Y61 VanDerWaalsContact O-OH 3.14Å
21E92.9Very high94.7Very high146 Ų14679.8 Ų79.868%0.68239%0.392SS*.SBendtrans-75.9-44175.5-68.8-177.6-159.100111Y61E21-Y61 HydrophobicContact CG-CD1 3.99Å; E21-Y61 HydrophobicContact CG-CD2 3.54Å; E21-Y61 HydrophobicContact CG-CE1 4.39Å; E21-Y61 HydrophobicContact CG-CE2 3.98Å; E21-Y61 HydrophobicContact CG-CG 3.5Å; E21-Y61 VanDerWaalsContact CG-CG 3.5Å; E21-Y61 WeakPolarHBondContact OE1-CB 3.29Å
22N94.8Very high94.9Very high78 Ų7871.6 Ų71.642%0.41736%0.362SS..SBendtrans-108.6140173.5-179.122000110.3V20 S24 D25V20-N22 WeakPolarHBondContact CB-O 3.4Å; V20-N22 WeakPolarHBondContact CG2-O 3.33Å; N22-S24 VanDerWaalsContact C-N 3.27Å; N22-S24 PolarHBondContact O-N 2.91Å; N22-D25 WeakPolarHBondContact CB-OD2 3.45Å; N22-D25 PolarHBondContact ND2-OD1 2.79Å; N22-D25 PolarHBondContact O-N 3.49Å
23V93.2Very high95.1Very high121 Ų12161.1 Ų61.173%0.73332%0.322SS*.THydrogen-bonded Turntrans-66.8-31.3-175.5-177.90000111.8R18 D25R18-V23 PolarHBondContact NH2-O 2.85Å; V23-D25 VanDerWaalsContact C-N 3.34Å; V23-D25 PolarHBondContact O-N 3.13Å
24S93.9Very high95.1Very high95 Ų9560.2 Ų60.266%0.66432%0.321SS*.THydrogen-bonded Turntrans-75.2-17-177.2-50.70000114.7N22N22-S24 VanDerWaalsContact C-N 3.27Å; N22-S24 PolarHBondContact O-N 2.91Å
25D95.4Very high95.1Very high79 Ų7956.6 Ų56.642%0.42230%0.302SS..SBendtrans-86.4135.6-173.4-57.2-4000109.4R18 N22 V23R18-D25 PolarHBondContact NH1-O 3.09Å; N22-D25 WeakPolarHBondContact CB-OD2 3.45Å; N22-D25 PolarHBondContact ND2-OD1 2.79Å; N22-D25 PolarHBondContact O-N 3.49Å; V23-D25 VanDerWaalsContact C-N 3.34Å; V23-D25 PolarHBondContact O-N 3.13Å
26P95.8Very high95.2Very high60 Ų6054.3 Ų54.339%0.3929%0.294SS..  trans-73.9154.8175.629.6-34.3000111.9K153P26-K153 WeakPolarHBondContact CA-O 3.45Å
27V96.6Very high95.3Very high7 Ų750 Ų504%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-85.5114.5163.7179.20000108.2R18 P19 V20 V29 W58 W84 K153 I154 D155R18-V27 HydrophobicContact CG-CG2 3.48Å; R18-V27 VanDerWaalsContact CG-CG2 3.48Å; P19-V27 HydrophobicContact CG-CG2 4.48Å; V20-V27 HydrophobicContact CG1-CG2 3.47Å; V20-V27 VanDerWaalsContact CG1-CG2 3.47Å; V27-V29 HydrophobicContact CG1-CG2 4.03Å; V27-V29 PolarHBondContact O-N 2.89Å; V27-W58 HydrophobicContact CG1-CB 4.19Å; V27-W84 HydrophobicContact CB-CH2 4.45Å; V27-W84 HydrophobicContact CG1-CH2 4.21Å; V27-W84 HydrophobicContact CG1-CZ3 4.15Å; V27-W84 HydrophobicContact CG2-CH2 4.46Å; V27-K153 PolarHBondContact N-O 3.08Å; V27-I154 WeakPolarHBondContact O-CA 3.28Å; V27-D155 PolarHBondContact O-N 2.9Å
28T96.5Very high95.3Very high73 Ų7345.5 Ų45.545%0.44825%0.253SS..EExtended strand (participates in β ladder)trans-73121.4168.3-50.50000109.3D155 V157T28-D155 WeakPolarHBondContact CA-O 3.29Å; T28-V157 HydrophobicContact CG2-CB 4.35Å; T28-V157 HydrophobicContact CG2-CG2 3.63Å
29V97.4Very high95.3Very high0 Ų047 Ų470%027%0.265CS..EExtended strand (participates in β ladder)trans-113.3111.5174.3-178.90000107.9V27 W58 P86 I154 D155 L156 V157V27-V29 HydrophobicContact CG1-CG2 4.03Å; V27-V29 PolarHBondContact O-N 2.89Å; V29-W58 HydrophobicContact CG2-CB 4.26Å; V29-P86 HydrophobicContact CG1-CG 4.16Å; V29-P86 HydrophobicContact CG2-CB 4.2Å; V29-P86 HydrophobicContact CG2-CG 4.3Å; V29-I154 HydrophobicContact CG2-CG2 3.97Å; V29-D155 PolarHBondContact N-O 2.89Å; V29-L156 HydrophobicContact CB-CD2 4.1Å; V29-L156 WeakPolarHBondContact O-CA 3.32Å; V29-V157 PolarHBondContact O-N 2.84Å
30E97.4Very high95.1Very high84 Ų8451 Ų5139%0.39328%0.282SS..EExtended strand (participates in β ladder)trans-75.5129.6169.3-66.3174.9-161.800109.3H56 I57 V157 I159E30-H56 WeakPolarHBondContact O-CA 3.46Å; E30-I57 HydrophobicContact CB-CB 4.1Å; E30-I57 PolarHBondContact N-O 3.37Å; E30-I57 PolarHBondContact O-N 2.86Å; E30-V157 CarbonylContact C-O 3.6Å; E30-V157 VanDerWaalsContact CA-O 3.29Å; E30-V157 WeakPolarHBondContact CA-O 3.29Å; E30-I159 HydrophobicContact CB-CD1 4.02Å; E30-I159 HydrophobicContact CB-CG1 3.79Å
31F96.4Very high94.9Very high2 Ų250.2 Ų50.21%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-126.1132.4-175.1-171.5-120.6000110.6V33 L54 R55 H56 I88 F144 V157 L158 I159 I198 Y200F31-V33 HydrophobicContact CD1-CG2 4.45Å; F31-V33 HydrophobicContact CE1-CG2 3.68Å; F31-V33 HydrophobicContact CE2-CG2 4.49Å; F31-V33 HydrophobicContact CZ-CG2 3.7Å; F31-L54 HydrophobicContact CE2-CB 4.22Å; F31-L54 HydrophobicContact CE2-CD2 4.27Å; F31-L54 HydrophobicContact CZ-CD2 4.03Å; F31-R55 WeakPolarHBondContact CA-O 3.41Å; F31-H56 AromaticContact CD2-CD2 3.67Å; F31-H56 AromaticContact CD2-NE2 3.8Å; F31-H56 AromaticContact CE2-CD2 3.9Å; F31-H56 AromaticContact CE2-NE2 3.51Å; F31-I88 HydrophobicContact CE2-CG2 4.08Å; F31-I88 HydrophobicContact CZ-CG2 4.15Å; F31-F144 HydrophobicContact CE1-CB 3.76Å; F31-F144 HydrophobicContact CE1-CD2 4Å; F31-F144 AromaticContact CE1-CG 3.88Å; F31-F144 HydrophobicContact CE1-CG 3.88Å; F31-F144 HydrophobicContact CZ-CB 3.94Å; F31-F144 HydrophobicContact CZ-CD1 4.09Å; F31-F144 HydrophobicContact CZ-CD2 4.17Å; F31-F144 AromaticContact CZ-CG 3.8Å; F31-F144 HydrophobicContact CZ-CG 3.8Å; F31-V157 PolarHBondContact N-O 2.82Å; F31-L158 WeakPolarHBondContact O-CA 3.47Å; F31-I159 PolarHBondContact O-N 2.87Å; F31-I159 VanDerWaalsContact O-N 3.16Å; F31-I198 HydrophobicContact CB-CD1 3.9Å; F31-I198 HydrophobicContact CD1-CB 4.33Å; F31-I198 HydrophobicContact CD1-CD1 3.74Å; F31-I198 HydrophobicContact CD1-CG2 4.3Å; F31-I198 HydrophobicContact CG-CD1 4.27Å; F31-Y200 HydrophobicContact CD1-CE2 4.24Å; F31-Y200 AromaticContact CE1-CE2 3.91Å; F31-Y200 HydrophobicContact CE1-CE2 3.91Å
32E96.1Very high94.8Very high22 Ų2244.8 Ų44.810%0.10325%0.253CS..EExtended strand (participates in β ladder)trans-140138.5172.8179.7-174.1-178.400108.8R55 I159 N164E32-R55 HydrophobicContact CB-CB 4.17Å; E32-R55 PolarHBondContact N-O 2.66Å; E32-R55 PolarHBondContact O-N 2.69Å; E32-R55 VanDerWaalsContact OE2-CD 3.25Å; E32-R55 WeakPolarHBondContact OE2-CD 3.43Å; E32-R55 IonicContact OE2-CZ 2.69Å; E32-R55 IonicContact OE2-NE 2.82Å; E32-R55 IonicContact OE2-NH1 2.66Å; E32-R55 PolarHBondContact OE2-NH1 2.86Å; E32-I159 HydrophobicContact CB-CB 4.1Å; E32-I159 HydrophobicContact CB-CD1 3.91Å; E32-I159 HydrophobicContact CB-CG1 4.2Å; E32-N164 PolarHBondContact OE1-ND2 2.81Å
33V95.8Very high94.4Very high1 Ų142.3 Ų42.31%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-110127.7174.4176.20000108.8F31 L52 L54 F144 V163 N164 Y200F31-V33 HydrophobicContact CD1-CG2 4.45Å; F31-V33 HydrophobicContact CE1-CG2 3.68Å; F31-V33 HydrophobicContact CE2-CG2 4.49Å; F31-V33 HydrophobicContact CZ-CG2 3.7Å; V33-L52 HydrophobicContact CG1-CB 4.25Å; V33-L52 HydrophobicContact CG1-CD1 3.83Å; V33-L52 HydrophobicContact CG1-CD2 3.96Å; V33-L52 HydrophobicContact CG1-CG 4.24Å; V33-L54 HydrophobicContact CG1-CD2 4.44Å; V33-L54 HydrophobicContact CG2-CD2 3.83Å; V33-F144 HydrophobicContact CG2-CE2 4.28Å; V33-V163 HydrophobicContact CG1-CG1 4.31Å; V33-V163 WeakPolarHBondContact O-CG1 3.21Å; V33-N164 PolarHBondContact O-N 2.74Å; V33-Y200 HydrophobicContact CB-CD2 4.37Å; V33-Y200 HydrophobicContact CB-CE2 3.89Å; V33-Y200 HydrophobicContact CG2-CD2 3.93Å; V33-Y200 HydrophobicContact CG2-CE2 3.34Å
34S95.8Very high94Very high15 Ų1540.2 Ų40.211%0.10523%0.226CC..EExtended strand (participates in β ladder)trans-112.6129.2167.6-50.80000109.4L52 W53 N164S34-L52 CarbonylContact O-C 3.55Å; S34-L52 WeakPolarHBondContact O-CA 3.49Å; S34-W53 PolarHBondContact N-O 2.99Å; S34-W53 PolarHBondContact O-N 2.91Å; S34-N164 WeakPolarHBondContact CA-O 3.38Å
35I95.4Very high93.6Very high1 Ų140.9 Ų40.91%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-91.9131.7176.2-177.1165.1000110.2T50 L52 V163 N164 L165 F168 I176 F202I35-T50 HydrophobicContact CD1-CG2 4.14Å; I35-L52 HydrophobicContact CB-CD2 3.65Å; I35-L52 HydrophobicContact CD1-CD2 4.19Å; I35-L52 HydrophobicContact CG1-CD2 3.78Å; I35-V163 HydrophobicContact CB-CG1 4.21Å; I35-V163 HydrophobicContact CG2-CG1 3.85Å; I35-N164 PolarHBondContact N-O 3.02Å; I35-L165 HydrophobicContact CG2-CD2 3.54Å; I35-F168 HydrophobicContact CD1-CD2 4.47Å; I35-F168 HydrophobicContact CD1-CE2 4.23Å; I35-F168 HydrophobicContact CG1-CD2 4.11Å; I35-F168 HydrophobicContact CG1-CE2 4.32Å; I35-F168 HydrophobicContact CG2-CD2 3.88Å; I35-I176 HydrophobicContact CD1-CD1 4.07Å; I35-F202 HydrophobicContact CD1-CE1 4.07Å
36S93.9Very high93.4Very high28 Ų2840.4 Ų40.420%0.19622%0.218CC..EExtended strand (participates in β ladder)trans-89.2-44.6172.6-50.20000111.6N51 W53 W169S36-N51 PolarHBondContact N-O 3.14Å; S36-W53 PolarHBondContact OG-NE1 3.01Å; S36-W169 WeakPolarHBondContact O-CB 3.4Å; S36-W169 PolarHBondContact O-N 2.61Å
37Q94.1Very high93.2Very high70 Ų7038.9 Ų38.933%0.32721%0.206SC..EExtended strand (participates in β ladder)trans-160147.1179.955.5177.516.900110.3V39 N51 W169Q37-V39 HydrophobicContact CG-CG2 4.01Å; Q37-N51 HydrophobicContact CG-CB 3.76Å; Q37-N51 PolarHBondContact NE2-ND2 2.59Å; Q37-N51 PolarHBondContact O-N 2.7Å; Q37-W169 HydrophobicContact CB-CB 4.4Å
38L94.9Very high93.1Very high7 Ų738.6 Ų38.64%0.03720%0.204CC..EExtended strand (participates in β ladder)trans-88.9103.4163.5175.860.1000106.8V41 M48 T50 F168 S171 W174 I204L38-V41 HydrophobicContact CD1-CG2 4.17Å; L38-V41 HydrophobicContact CD2-CG2 4.24Å; L38-V41 HydrophobicContact CG-CG2 4.43Å; L38-M48 HydrophobicContact CD1-CG 3.74Å; L38-M48 HydrophobicContact CD1-SD 4.05Å; L38-T50 HydrophobicContact CD1-CG2 3.74Å; L38-F168 HydrophobicContact CB-CE2 4.47Å; L38-S171 PolarHBondContact O-OG 2.82Å; L38-W174 HydrophobicContact CD2-CB 3.7Å; L38-W174 HydrophobicContact CD2-CG 4.25Å; L38-I204 HydrophobicContact CD2-CD1 4.39Å; L38-I204 HydrophobicContact CD2-CG2 4.43Å
39V93.4Very high93Very high63 Ų6336.4 Ų36.438%0.38219%0.189SC..EExtended strand (participates in β ladder)trans-71.4-50.6-167.7-178.90000110.8Q37 E49 N51Q37-V39 HydrophobicContact CG-CG2 4.01Å; V39-E49 HydrophobicContact CB-CB 4.26Å; V39-E49 HydrophobicContact CB-CG 4.03Å; V39-E49 WeakPolarHBondContact CB-O 3.49Å; V39-E49 HydrophobicContact CG1-CG 4.33Å; V39-E49 HydrophobicContact CG2-CG 4.41Å; V39-E49 PolarHBondContact N-O 2.84Å; V39-N51 HydrophobicContact CG2-CB 4.5Å; V39-N51 WeakPolarHBondContact CG2-OD1 3.43Å
40K91.4Very high92.9Very high92 Ų9236.4 Ų36.440%0.419%0.189SC..EExtended strand (participates in β ladder)trans-162.5157.3172.560.1166.5-172.6152.20111D42 E49K40-D42 IonicContact NZ-OD2 2.74Å; K40-D42 PolarHBondContact NZ-OD2 3.14Å; K40-E49 WeakPolarHBondContact CE-OE2 3.49Å; K40-E49 HydrophobicContact CG-CB 3.9Å; K40-E49 PolarHBondContact N-O 2.89Å; K40-E49 PolarHBondContact O-N 2.8Å
41V92.3Very high92.7Very high11 Ų1134.1 Ų34.17%0.06718%0.179CC..EExtended strand (participates in β ladder)trans-112.1130.2164.6-1760000106.2L38 M128 W174 I204L38-V41 HydrophobicContact CD1-CG2 4.17Å; L38-V41 HydrophobicContact CD2-CG2 4.24Å; L38-V41 HydrophobicContact CG-CG2 4.43Å; V41-M128 HydrophobicContact CG1-CE 3.29Å; V41-M128 HydrophobicContact CG1-SD 4.25Å; V41-W174 HydrophobicContact CB-CZ2 3.9Å; V41-W174 HydrophobicContact CG1-CZ2 3.99Å; V41-W174 HydrophobicContact CG2-CD2 4.12Å; V41-W174 HydrophobicContact CG2-CG 4.28Å; V41-W174 HydrophobicContact CG2-CZ2 4.18Å; V41-I204 HydrophobicContact CG2-CD1 3.85Å
42D90.7Very high92.7Very high31 Ų3134 Ų3417%0.16618%0.179CC..EExtended strand (participates in β ladder)trans-116.993.9-175.6-166.2-46.6000108K40 V44 N45 Q46 I47K40-D42 IonicContact NZ-OD2 2.74Å; K40-D42 PolarHBondContact NZ-OD2 3.14Å; D42-V44 VanDerWaalsContact C-N 3.3Å; D42-V44 PolarHBondContact O-N 2.89Å; D42-N45 WeakPolarHBondContact OD1-CB 3.46Å; D42-N45 PolarHBondContact OD1-N 3.44Å; D42-N45 PolarHBondContact OD1-ND2 2.92Å; D42-N45 PolarHBondContact OD2-ND2 2.85Å; D42-Q46 WeakPolarHBondContact O-CA 3.48Å; D42-Q46 PolarHBondContact O-N 2.88Å; D42-I47 HydrophobicContact CB-CB 4.38Å; D42-I47 WeakPolarHBondContact CB-O 3.36Å; D42-I47 PolarHBondContact N-O 3.16Å; D42-I47 PolarHBondContact O-N 2.92Å
43E86.3Confident92.6Very high27 Ų2737.9 Ų37.913%0.12619%0.193CC..THydrogen-bonded Turntrans-70.6-29.7-173.3-55.389.3160.300112R206 P262E43-R206 IonicContact OE1-CZ 3.75Å; E43-R206 IonicContact OE1-NH1 3.37Å; E43-R206 PolarHBondContact OE1-NH1 2.93Å; E43-R206 IonicContact OE1-NH2 3.32Å; E43-R206 PolarHBondContact OE1-NH2 3.38Å; E43-P262 HydrophobicContact CB-CG 3.77Å; E43-P262 WeakPolarHBondContact O-CG 3.41Å
44V83.6Confident92.5Very high77 Ų7737.9 Ų37.947%0.46719%0.193SC..THydrogen-bonded Turntrans-70-43.8-179.8-1750000110.5D42 P262D42-V44 VanDerWaalsContact C-N 3.3Å; D42-V44 PolarHBondContact O-N 2.89Å; V44-P262 HydrophobicContact CG2-CG 4.18Å
45N87Confident92.5Very high108 Ų10841.5 Ų41.558%0.57820%0.204SC*.THydrogen-bonded Turntrans-91.4-6.7178.9-62.1-74.2000113.7D42 I47D42-N45 WeakPolarHBondContact OD1-CB 3.46Å; D42-N45 PolarHBondContact OD1-N 3.44Å; D42-N45 PolarHBondContact OD1-ND2 2.92Å; D42-N45 PolarHBondContact OD2-ND2 2.85Å; N45-I47 HydrophobicContact CB-CD1 3.92Å; N45-I47 HydrophobicContact CB-CG1 4.12Å
46Q90Very high92.5Very high70 Ų7041.6 Ų41.633%0.32720%0.204SC..THydrogen-bonded Turntrans5944.8-174.9-60.1-168.6-21.200113.7D42 S125 C126D42-Q46 WeakPolarHBondContact O-CA 3.48Å; D42-Q46 PolarHBondContact O-N 2.88Å; Q46-S125 WeakPolarHBondContact O-CA 3Å; Q46-C126 WeakPolarHBondContact CB-O 3.46Å; Q46-C126 PolarHBondContact O-N 2.57Å
47I92.8Very high92.7Very high27 Ų2741.1 Ų41.114%0.13820%0.199CC..EExtended strand (participates in β ladder)trans-123.6134.5-176.2-59.2174.3000110.6D42 N45 A94 V95 K123D42-I47 HydrophobicContact CB-CB 4.38Å; D42-I47 WeakPolarHBondContact CB-O 3.36Å; D42-I47 PolarHBondContact N-O 3.16Å; D42-I47 PolarHBondContact O-N 2.92Å; N45-I47 HydrophobicContact CB-CD1 3.92Å; N45-I47 HydrophobicContact CB-CG1 4.12Å; I47-A94 HydrophobicContact CD1-CB 3.92Å; I47-A94 HydrophobicContact CG1-CB 3.77Å; I47-A94 HydrophobicContact CG2-CB 4.48Å; I47-V95 HydrophobicContact CD1-CG2 3.76Å; I47-K123 HydrophobicContact CG2-CB 3.94Å; I47-K123 HydrophobicContact CG2-CG 4.4Å
48M94.6Very high92.8Very high1 Ų138.1 Ų38.11%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-106.3125.8167.8-178.1-178.26800109.7L38 T50 K123 S124 C140 M142 F202L38-M48 HydrophobicContact CD1-CG 3.74Å; L38-M48 HydrophobicContact CD1-SD 4.05Å; M48-T50 HydrophobicContact CE-CG2 4.02Å; M48-T50 HydrophobicContact CG-CG2 4.08Å; M48-T50 HydrophobicContact SD-CG2 4.19Å; M48-K123 CarbonylContact O-C 3.59Å; M48-K123 WeakPolarHBondContact O-CA 3.34Å; M48-S124 WeakPolarHBondContact CE-OG 3.47Å; M48-S124 PolarHBondContact N-O 2.86Å; M48-S124 PolarHBondContact O-N 2.66Å; M48-S124 PolarHBondContact O-OG 3.5Å; M48-C140 HydrophobicContact CE-CB 3.8Å; M48-C140 HydrophobicContact SD-CB 3.63Å; M48-M142 HydrophobicContact CE-CG 3.75Å; M48-M142 HydrophobicContact CE-SD 3.69Å; M48-F202 HydrophobicContact CE-CD2 4.06Å; M48-F202 HydrophobicContact CE-CG 4.47Å
49E94.3Very high92.9Very high27 Ų2741.6 Ų41.613%0.12620%0.204CC..EExtended strand (participates in β ladder)trans-106.5117.2179.1-170.8164.6-172.700110.7V39 K40 I121 F122 K123V39-E49 HydrophobicContact CB-CB 4.26Å; V39-E49 HydrophobicContact CB-CG 4.03Å; V39-E49 WeakPolarHBondContact CB-O 3.49Å; V39-E49 HydrophobicContact CG1-CG 4.33Å; V39-E49 HydrophobicContact CG2-CG 4.41Å; V39-E49 PolarHBondContact N-O 2.84Å; K40-E49 WeakPolarHBondContact CE-OE2 3.49Å; K40-E49 HydrophobicContact CG-CB 3.9Å; K40-E49 PolarHBondContact N-O 2.89Å; K40-E49 PolarHBondContact O-N 2.8Å; E49-I121 HydrophobicContact CG-CG2 3.92Å; E49-F122 WeakPolarHBondContact CA-O 3.4Å; E49-K123 HydrophobicContact CB-CG 4.48Å; E49-K123 HydrophobicContact CG-CG 4.15Å; E49-K123 WeakPolarHBondContact OE1-CE 3.39Å; E49-K123 IonicContact OE1-NZ 2.97Å; E49-K123 PolarHBondContact OE1-NZ 2.88Å; E49-K123 VanDerWaalsContact OE2-CE 3.24Å; E49-K123 WeakPolarHBondContact OE2-CE 3.29Å; E49-K123 IonicContact OE2-NZ 3.75Å; E49-K123 PolarHBondContact OE2-NZ 3.1Å
50T94.6Very high93.1Very high0 Ų038.6 Ų38.60%019%0.186CC..EExtended strand (participates in β ladder)trans-128.8144.2-175.551.80000112I35 L38 M48 I121 F122I35-T50 HydrophobicContact CD1-CG2 4.14Å; L38-T50 HydrophobicContact CD1-CG2 3.74Å; M48-T50 HydrophobicContact CE-CG2 4.02Å; M48-T50 HydrophobicContact CG-CG2 4.08Å; M48-T50 HydrophobicContact SD-CG2 4.19Å; T50-I121 WeakPolarHBondContact O-CA 3.28Å; T50-F122 PolarHBondContact N-O 2.83Å; T50-F122 PolarHBondContact O-N 3.1Å
51N94.2Very high93.2Very high36 Ų3637.8 Ų37.819%0.19318%0.18CC..EExtended strand (participates in β ladder)trans-100.9112.4169.4-75.410.6000109.4S36 Q37 V39 I121S36-N51 PolarHBondContact N-O 3.14Å; Q37-N51 HydrophobicContact CG-CB 3.76Å; Q37-N51 PolarHBondContact NE2-ND2 2.59Å; Q37-N51 PolarHBondContact O-N 2.7Å; V39-N51 HydrophobicContact CG2-CB 4.5Å; V39-N51 WeakPolarHBondContact CG2-OD1 3.43Å; N51-I121 WeakPolarHBondContact OD1-CG1 3.49Å
52L94.7Very high93.3Very high1 Ų142 Ų421%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-118.6144-174.8-56.2-177.1000111.4V33 S34 I35 L54 P119 A120 F122 M142 F144V33-L52 HydrophobicContact CG1-CB 4.25Å; V33-L52 HydrophobicContact CG1-CD1 3.83Å; V33-L52 HydrophobicContact CG1-CD2 3.96Å; V33-L52 HydrophobicContact CG1-CG 4.24Å; S34-L52 CarbonylContact O-C 3.55Å; S34-L52 WeakPolarHBondContact O-CA 3.49Å; I35-L52 HydrophobicContact CB-CD2 3.65Å; I35-L52 HydrophobicContact CD1-CD2 4.19Å; I35-L52 HydrophobicContact CG1-CD2 3.78Å; L52-L54 HydrophobicContact CB-CD2 4.28Å; L52-P119 CarbonylContact O-C 3.56Å; L52-P119 WeakPolarHBondContact O-CA 3.29Å; L52-A120 PolarHBondContact N-O 2.92Å; L52-A120 PolarHBondContact O-N 2.8Å; L52-F122 HydrophobicContact CB-CD2 4.09Å; L52-F122 HydrophobicContact CB-CE2 4.35Å; L52-F122 HydrophobicContact CD1-CD2 3.76Å; L52-F122 HydrophobicContact CD1-CE2 4.38Å; L52-F122 HydrophobicContact CG-CD2 4.11Å; L52-M142 HydrophobicContact CD1-CE 3.66Å; L52-M142 HydrophobicContact CD1-SD 3.93Å; L52-F144 HydrophobicContact CD1-CE2 4.48Å; L52-F144 HydrophobicContact CD1-CZ 3.93Å
53W94.8Very high93.5Very high103 Ų10340.6 Ų40.639%0.3919%0.19SC..EExtended strand (participates in β ladder)trans-96.5122.4159.7-59.690.9000108.1S34 S36 V117 P119S34-W53 PolarHBondContact N-O 2.99Å; S34-W53 PolarHBondContact O-N 2.91Å; S36-W53 PolarHBondContact OG-NE1 3.01Å; W53-V117 HydrophobicContact CB-CG1 3.95Å; W53-V117 HydrophobicContact CE3-CG1 4.18Å; W53-P119 HydrophobicContact CD2-CB 4.07Å; W53-P119 HydrophobicContact CE3-CB 3.69Å; W53-P119 HydrophobicContact CE3-CG 4.14Å; W53-P119 HydrophobicContact CH2-CB 3.89Å; W53-P119 HydrophobicContact CH2-CG 4.02Å; W53-P119 HydrophobicContact CZ2-CB 4.23Å; W53-P119 HydrophobicContact CZ3-CB 3.62Å; W53-P119 HydrophobicContact CZ3-CG 3.65Å
54L94.2Very high94Very high1 Ų143.5 Ų43.51%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-97.4102.1177-60.1-169.8000109.6F31 V33 L52 H56 V100 V117 P118 F122 F144F31-L54 HydrophobicContact CE2-CB 4.22Å; F31-L54 HydrophobicContact CE2-CD2 4.27Å; F31-L54 HydrophobicContact CZ-CD2 4.03Å; V33-L54 HydrophobicContact CG1-CD2 4.44Å; V33-L54 HydrophobicContact CG2-CD2 3.83Å; L52-L54 HydrophobicContact CB-CD2 4.28Å; L54-H56 VanDerWaalsContact CB-CE1 3.45Å; L54-H56 WeakPolarHBondContact CB-CE1 3.47Å; L54-H56 PolarHBondContact O-N 3.43Å; L54-H56 PolarHBondContact O-ND1 2.86Å; L54-H56 VanDerWaalsContact O-ND1 3.12Å; L54-V100 HydrophobicContact CD1-CG2 4.15Å; L54-V117 WeakPolarHBondContact O-CA 3.45Å; L54-P118 HydrophobicContact CB-CG 4.42Å; L54-P118 PolarHBondContact N-O 2.76Å; L54-P118 VanDerWaalsContact O-CD 3.3Å; L54-P118 WeakPolarHBondContact O-CD 3.22Å; L54-F122 HydrophobicContact CD1-CE2 3.77Å; L54-F122 HydrophobicContact CD1-CZ 3.64Å; L54-F122 HydrophobicContact CD2-CE2 4.04Å; L54-F122 HydrophobicContact CG-CE2 3.98Å; L54-F122 HydrophobicContact CG-CZ 4.36Å; L54-F144 HydrophobicContact CD1-CE1 4.27Å; L54-F144 HydrophobicContact CD2-CE1 4.14Å; L54-F144 HydrophobicContact CD2-CZ 4.16Å
55R95.2Very high94.5Very high90 Ų9040.7 Ų40.734%0.3418%0.184SC..EExtended strand (participates in β ladder)trans-86.8113.4178.2-179.3-177-173.5-158.9-1.8109.6F31 E32 I57 V117F31-R55 WeakPolarHBondContact CA-O 3.41Å; E32-R55 HydrophobicContact CB-CB 4.17Å; E32-R55 PolarHBondContact N-O 2.66Å; E32-R55 PolarHBondContact O-N 2.69Å; E32-R55 VanDerWaalsContact OE2-CD 3.25Å; E32-R55 WeakPolarHBondContact OE2-CD 3.43Å; E32-R55 IonicContact OE2-CZ 2.69Å; E32-R55 IonicContact OE2-NE 2.82Å; E32-R55 IonicContact OE2-NH1 2.66Å; E32-R55 PolarHBondContact OE2-NH1 2.86Å; R55-I57 HydrophobicContact CG-CG1 4.39Å; R55-V117 HydrophobicContact CB-CG1 4.31Å; R55-V117 HydrophobicContact CB-CG2 4.21Å; R55-V117 HydrophobicContact CG-CG2 4.01Å
56H95.4Very high94.9Very high3 Ų341.9 Ų41.91%0.01419%0.187CC..EExtended strand (participates in β ladder)trans-108.9131.6174.2-53.991.6000109.3E30 F31 L54 W58 T115 W116E30-H56 WeakPolarHBondContact O-CA 3.46Å; F31-H56 AromaticContact CD2-CD2 3.67Å; F31-H56 AromaticContact CD2-NE2 3.8Å; F31-H56 AromaticContact CE2-CD2 3.9Å; F31-H56 AromaticContact CE2-NE2 3.51Å; L54-H56 VanDerWaalsContact CB-CE1 3.45Å; L54-H56 WeakPolarHBondContact CB-CE1 3.47Å; L54-H56 PolarHBondContact O-N 3.43Å; L54-H56 PolarHBondContact O-ND1 2.86Å; L54-H56 VanDerWaalsContact O-ND1 3.12Å; H56-W58 HydrophobicContact CB-CE3 4.05Å; H56-W58 HydrophobicContact CB-CZ3 3.76Å; H56-T115 WeakPolarHBondContact O-CA 3.25Å; H56-W116 PolarHBondContact N-O 2.71Å; H56-W116 AromaticContact ND1-CE3 3.79Å; H56-W116 PolarHBondContact O-N 2.98Å
57I97.5Very high95.2Very high19 Ų1940 Ų4010%0.09718%0.181CC..EExtended strand (participates in β ladder)trans-127.4130.1170.1-45.4177.4000109.1E30 R55 T113 I114 T115 I159E30-I57 HydrophobicContact CB-CB 4.1Å; E30-I57 PolarHBondContact N-O 3.37Å; E30-I57 PolarHBondContact O-N 2.86Å; R55-I57 HydrophobicContact CG-CG1 4.39Å; I57-T113 HydrophobicContact CG2-CG2 3.49Å; I57-T113 VanDerWaalsContact CG2-CG2 3.49Å; I57-I114 VanDerWaalsContact CA-O 3.29Å; I57-I114 WeakPolarHBondContact CA-O 3.37Å; I57-I114 WeakPolarHBondContact CG2-O 3.33Å; I57-T115 HydrophobicContact CG1-CG2 4.26Å; I57-I159 HydrophobicContact CD1-CD1 3.79Å; I57-I159 HydrophobicContact CG1-CD1 4.29Å
58W97.2Very high95.3Very high7 Ų743.5 Ų43.53%0.02721%0.214CC..EExtended strand (participates in β ladder)trans-148172.2174.569.399.1000110.4V27 V29 H56 I83 W84 I114 W116V27-W58 HydrophobicContact CG1-CB 4.19Å; V29-W58 HydrophobicContact CG2-CB 4.26Å; H56-W58 HydrophobicContact CB-CE3 4.05Å; H56-W58 HydrophobicContact CB-CZ3 3.76Å; W58-I83 HydrophobicContact CH2-CD1 4.39Å; W58-I83 HydrophobicContact CZ2-CD1 4.04Å; W58-W84 AromaticContact CD1-CZ3 3.94Å; W58-W84 HydrophobicContact CG-CZ3 4.44Å; W58-W84 VanDerWaalsContact CZ2-O 3.29Å; W58-W84 WeakPolarHBondContact CZ2-O 3.39Å; W58-W84 AromaticContact NE1-CE3 3.75Å; W58-W84 AromaticContact NE1-CZ3 3.95Å; W58-I114 HydrophobicContact CD2-CB 4.11Å; W58-I114 HydrophobicContact CD2-CG2 4.48Å; W58-I114 HydrophobicContact CE3-CB 4.47Å; W58-I114 HydrophobicContact CH2-CB 4.36Å; W58-I114 HydrophobicContact CH2-CG2 3.67Å; W58-I114 HydrophobicContact CZ2-CB 3.98Å; W58-I114 HydrophobicContact CZ2-CD1 4.07Å; W58-I114 HydrophobicContact CZ2-CG2 3.56Å; W58-I114 HydrophobicContact CZ3-CG2 4.16Å; W58-I114 PolarHBondContact N-O 2.92Å; W58-I114 VanDerWaalsContact N-O 3.14Å; W58-I114 PolarHBondContact O-N 3.42Å; W58-W116 HydrophobicContact CH2-CB 3.73Å; W58-W116 HydrophobicContact CH2-CG 4.5Å; W58-W116 HydrophobicContact CZ3-CB 3.75Å
59N96.9Very high95.2Very high80 Ų8048.1 Ų48.143%0.42824%0.236SC..EExtended strand (participates in β ladder)trans-110.7138.6179.7-166.93.1000110.7G112N59-G112 PolarHBondContact OD1-O 2.93Å
60D96.8Very high95.2Very high0 Ų047.1 Ų47.10%023%0.231CC..  trans-126114.7171.6-173.6-28.3000110.5Y13 P19 K62 L63 G112 I114Y13-D60 WeakPolarHBondContact CE2-OD2 3.3Å; Y13-D60 VanDerWaalsContact CZ-OD2 3.31Å; Y13-D60 PolarHBondContact OH-OD2 2.7Å; P19-D60 HydrophobicContact CB-CB 3.89Å; P19-D60 WeakPolarHBondContact CB-OD1 3.47Å; P19-D60 WeakPolarHBondContact CB-OD2 3.4Å; P19-D60 HydrophobicContact CG-CB 4.31Å; D60-K62 VanDerWaalsContact C-N 3.26Å; D60-K62 PolarHBondContact O-N 3.2Å; D60-K62 WeakPolarHBondContact OD1-CB 3.44Å; D60-K62 PolarHBondContact OD1-N 2.98Å; D60-L63 HydrophobicContact CB-CB 4.26Å; D60-L63 HydrophobicContact CB-CD1 4.24Å; D60-L63 HydrophobicContact CB-CG 4.32Å; D60-L63 PolarHBondContact O-N 2.84Å; D60-L63 WeakPolarHBondContact OD2-CD1 3.44Å; D60-G112 PolarHBondContact N-O 3.41Å; D60-I114 HydrophobicContact CB-CD1 3.88Å; D60-I114 HydrophobicContact CB-CG1 4.42Å
61Y94.8Very high95.1Very high74 Ų7453.9 Ų53.929%0.2927%0.267SS..G310 helixtrans-65.1-24.7-179.378.4-80000114.7P19 V20 E21 L63P19-Y61 WeakPolarHBondContact O-CD1 3.16Å; V20-Y61 WeakPolarHBondContact O-CE1 3.35Å; V20-Y61 PolarHBondContact O-OH 3.16Å; V20-Y61 VanDerWaalsContact O-OH 3.14Å; E21-Y61 HydrophobicContact CG-CD1 3.99Å; E21-Y61 HydrophobicContact CG-CD2 3.54Å; E21-Y61 HydrophobicContact CG-CE1 4.39Å; E21-Y61 HydrophobicContact CG-CE2 3.98Å; E21-Y61 HydrophobicContact CG-CG 3.5Å; E21-Y61 VanDerWaalsContact CG-CG 3.5Å; E21-Y61 WeakPolarHBondContact OE1-CB 3.29Å; Y61-L63 VanDerWaalsContact C-N 3.35Å
62K94.3Very high95.1Very high100 Ų10054.7 Ų54.744%0.43528%0.283SS..G310 helixtrans-80.1-19.5179.9-61.1-172.6-174.8-600112.6Y13 D60Y13-K62 HydrophobicContact CD2-CB 4.15Å; Y13-K62 HydrophobicContact CD2-CD 4.31Å; Y13-K62 HydrophobicContact CE2-CB 4.13Å; Y13-K62 HydrophobicContact CE2-CD 4.4Å; D60-K62 VanDerWaalsContact C-N 3.26Å; D60-K62 PolarHBondContact O-N 3.2Å; D60-K62 WeakPolarHBondContact OD1-CB 3.44Å; D60-K62 PolarHBondContact OD1-N 2.98Å
63L95.2Very high95.1Very high1 Ų156.2 Ų56.21%0.00529%0.291CS..G310 helixtrans-102.728-173.9-60.1179000112.9L9 Y13 D60 Y61 W65 I83 L108 I114L9-L63 HydrophobicContact CB-CD2 4.23Å; L9-L63 HydrophobicContact CD2-CD2 4.38Å; Y13-L63 HydrophobicContact CD2-CD1 4.45Å; Y13-L63 HydrophobicContact CD2-CD2 3.71Å; Y13-L63 HydrophobicContact CD2-CG 4.12Å; Y13-L63 HydrophobicContact CE2-CD1 3.74Å; Y13-L63 HydrophobicContact CE2-CD2 3.8Å; Y13-L63 HydrophobicContact CE2-CG 3.68Å; Y13-L63 HydrophobicContact CG-CD2 4.47Å; D60-L63 HydrophobicContact CB-CB 4.26Å; D60-L63 HydrophobicContact CB-CD1 4.24Å; D60-L63 HydrophobicContact CB-CG 4.32Å; D60-L63 PolarHBondContact O-N 2.84Å; D60-L63 WeakPolarHBondContact OD2-CD1 3.44Å; Y61-L63 VanDerWaalsContact C-N 3.35Å; L63-W65 VanDerWaalsContact O-CE3 3.27Å; L63-W65 VanDerWaalsContact O-CZ3 3.29Å; L63-W65 WeakPolarHBondContact O-CZ3 3.49Å; L63-I83 HydrophobicContact CD1-CG2 3.79Å; L63-L108 HydrophobicContact CB-CD2 4.27Å; L63-L108 HydrophobicContact CD1-CD2 4.01Å; L63-I114 HydrophobicContact CD1-CD1 3.88Å
64K95.1Very high95.1Very high88 Ų8856.1 Ų56.138%0.38330%0.295SS..  trans-91.4144.7175.3-62.9177.7175.7162.30111.5Y110 D111K64-Y110 WeakPolarHBondContact CA-O 2.91Å; K64-D111 WeakPolarHBondContact CE-O 3.41Å; K64-D111 WeakPolarHBondContact CG-O 3.29Å
65W95.2Very high95.2Very high19 Ų1960.8 Ų60.87%0.07232%0.316CS..  trans-149.4163.2171.768.992.2000112.2L5 L9 L63 I73 E74 I76 L108 K109 Y110L5-W65 HydrophobicContact CD1-CB 3.8Å; L5-W65 HydrophobicContact CD1-CD2 3.97Å; L5-W65 HydrophobicContact CD1-CE3 4.48Å; L5-W65 HydrophobicContact CD1-CG 3.64Å; L5-W65 HydrophobicContact CD2-CD2 3.87Å; L5-W65 HydrophobicContact CD2-CG 4.09Å; L5-W65 HydrophobicContact CD2-CZ2 4.09Å; L5-W65 HydrophobicContact CG-CD2 4.48Å; L9-W65 HydrophobicContact CD1-CE3 4.11Å; L9-W65 HydrophobicContact CD1-CZ3 4.31Å; L9-W65 HydrophobicContact CD2-CE3 4.34Å; L63-W65 VanDerWaalsContact O-CE3 3.27Å; L63-W65 VanDerWaalsContact O-CZ3 3.29Å; L63-W65 WeakPolarHBondContact O-CZ3 3.49Å; W65-I73 PolarHBondContact NE1-O 2.9Å; W65-E74 WeakPolarHBondContact CZ2-O 3.49Å; W65-I76 HydrophobicContact CH2-CG2 3.65Å; W65-I76 HydrophobicContact CZ2-CG2 4.26Å; W65-I76 HydrophobicContact CZ3-CG2 4.16Å; W65-L108 HydrophobicContact CH2-CB 4.16Å; W65-L108 HydrophobicContact CZ3-CB 4.26Å; W65-K109 VanDerWaalsContact CH2-C 3.42Å; W65-Y110 PolarHBondContact N-O 2.96Å
66M95.9Very high95.2Very high133 Ų13356.7 Ų56.766%0.65530%0.301SS*.  trans-93.6119.1172.7-69.2-176.7174.800109.8A68 E69M66-A68 PolarHBondContact O-N 3.35Å; M66-A68 VanDerWaalsContact O-N 3.15Å; M66-E69 HydrophobicContact CB-CG 4.42Å; M66-E69 PolarHBondContact O-N 3.29Å; M66-E69 VanDerWaalsContact O-N 3.09Å
67P95.2Very high95.2Very high30 Ų3064.9 Ų64.920%0.19533%0.331CS..G310 helixtrans-55.6-31.8178.9-28.936.6000113.7E69 F70 D71 G72 E74 Y110P67-E69 VanDerWaalsContact C-N 3.29Å; P67-E69 PolarHBondContact O-N 3.31Å; P67-F70 CarbonylContact O-C 3.31Å; P67-F70 VanDerWaalsContact O-C 3.31Å; P67-F70 PolarHBondContact O-N 3.06Å; P67-D71 PolarHBondContact O-N 3.47Å; P67-G72 PolarHBondContact O-N 3.35Å; P67-E74 HydrophobicContact CG-CG 4.35Å; P67-Y110 HydrophobicContact CG-CD1 4.08Å; P67-Y110 HydrophobicContact CG-CD2 4.03Å; P67-Y110 HydrophobicContact CG-CG 3.71Å
68A94.5Very high95.1Very high100 Ų10064 Ų6483%0.82633%0.327SS*.G310 helixtrans-60.6-29.7177.500000114.4M66 F70M66-A68 PolarHBondContact O-N 3.35Å; M66-A68 VanDerWaalsContact O-N 3.15Å; A68-F70 VanDerWaalsContact C-N 3.3Å
69E93.9Very high94.9Very high99 Ų9965.7 Ų65.746%0.46334%0.339SS..G310 helixtrans-77.2-16.9174.6-71-171.7-178.300113.1R4 K8 M66 P67R4-E69 PolarHBondContact NH2-O 3.08Å; K8-E69 IonicContact NZ-OE2 3.33Å; K8-E69 PolarHBondContact NZ-OE2 3.31Å; M66-E69 HydrophobicContact CB-CG 4.42Å; M66-E69 PolarHBondContact O-N 3.29Å; M66-E69 VanDerWaalsContact O-N 3.09Å; P67-E69 VanDerWaalsContact C-N 3.29Å; P67-E69 PolarHBondContact O-N 3.31Å
70F93.6Very high94.7Very high6 Ų662 Ų623%0.02632%0.319CS..G310 helixtrans-130.842.2-167.9-63.7-78.8000112.2R4 L5 K8 P67 A68 G72 I73R4-F70 HydrophobicContact CG-CE1 4.31Å; L5-F70 HydrophobicContact CB-CD1 3.64Å; L5-F70 HydrophobicContact CB-CE1 3.99Å; L5-F70 HydrophobicContact CB-CG 4.07Å; L5-F70 HydrophobicContact CD1-CD1 4.23Å; L5-F70 HydrophobicContact CD1-CD2 3.92Å; L5-F70 HydrophobicContact CD1-CE1 4.27Å; L5-F70 HydrophobicContact CD1-CE2 3.98Å; L5-F70 HydrophobicContact CD1-CG 4.08Å; L5-F70 HydrophobicContact CD1-CZ 4.19Å; L5-F70 HydrophobicContact CG-CD1 4.44Å; L5-F70 HydrophobicContact CG-CG 4.44Å; K8-F70 HydrophobicContact CD-CE1 4.4Å; K8-F70 HydrophobicContact CD-CE2 4.19Å; K8-F70 HydrophobicContact CD-CZ 3.5Å; K8-F70 VanDerWaalsContact CD-CZ 3.5Å; P67-F70 CarbonylContact O-C 3.31Å; P67-F70 VanDerWaalsContact O-C 3.31Å; P67-F70 PolarHBondContact O-N 3.06Å; A68-F70 VanDerWaalsContact C-N 3.3Å; F70-G72 VanDerWaalsContact C-N 3.27Å; F70-G72 PolarHBondContact O-N 2.73Å; F70-I73 WeakPolarHBondContact O-CB 3.43Å; F70-I73 WeakPolarHBondContact O-CD1 3.42Å; F70-I73 WeakPolarHBondContact O-CG1 3.49Å; F70-I73 PolarHBondContact O-N 2.88Å; F70-I73 VanDerWaalsContact O-N 3.16Å
71D92.5Very high94.4Very high142 Ų14266.4 Ų66.476%0.75934%0.343SS*.THydrogen-bonded Turntrans62.834.2166.2-153.121.2000112.7A1 P67 I73A1-D71 HydrophobicContact CB-CB 3.56Å; P67-D71 PolarHBondContact O-N 3.47Å; D71-I73 VanDerWaalsContact C-N 3.31Å; D71-I73 PolarHBondContact O-N 2.93Å
72G94.1Very high94.3Very high52 Ų5267.5 Ų67.554%0.53635%0.349SS..THydrogen-bonded Turntrans75.510.9-179.900000115.2P67 F70 E74P67-G72 PolarHBondContact O-N 3.35Å; F70-G72 VanDerWaalsContact C-N 3.27Å; F70-G72 PolarHBondContact O-N 2.73Å; G72-E74 PolarHBondContact O-N 2.9Å; G72-E74 VanDerWaalsContact O-N 3.11Å
73I94.7Very high94.4Very high33 Ų3363 Ų6317%0.16933%0.329CS..  trans-66.6112.2180-66.2169.2000110.5A1 E2 L5 W65 F70 D71 F75A1-I73 HydrophobicContact CB-CD1 3.83Å; E2-I73 HydrophobicContact CB-CD1 3.78Å; E2-I73 HydrophobicContact CG-CD1 4.36Å; L5-I73 HydrophobicContact CD2-CG2 4.07Å; W65-I73 PolarHBondContact NE1-O 2.9Å; F70-I73 WeakPolarHBondContact O-CB 3.43Å; F70-I73 WeakPolarHBondContact O-CD1 3.42Å; F70-I73 WeakPolarHBondContact O-CG1 3.49Å; F70-I73 PolarHBondContact O-N 2.88Å; F70-I73 VanDerWaalsContact O-N 3.16Å; D71-I73 VanDerWaalsContact C-N 3.31Å; D71-I73 PolarHBondContact O-N 2.93Å; I73-F75 WeakPolarHBondContact CG2-O 3.25Å
74E95.2Very high94.4Very high101 Ų10163.1 Ų63.147%0.47233%0.33SS..  trans-93.8-25.1175.1-67.4-173.117000113.8W65 P67 G72 K109 Y110W65-E74 WeakPolarHBondContact CZ2-O 3.49Å; P67-E74 HydrophobicContact CG-CG 4.35Å; G72-E74 PolarHBondContact O-N 2.9Å; G72-E74 VanDerWaalsContact O-N 3.11Å; E74-K109 WeakPolarHBondContact O-CA 3.14Å; E74-Y110 HydrophobicContact CB-CD1 3.92Å; E74-Y110 HydrophobicContact CB-CE1 4.44Å; E74-Y110 HydrophobicContact CG-CD1 4.09Å; E74-Y110 HydrophobicContact CG-CE1 4.3Å; E74-Y110 PolarHBondContact O-N 2.87Å
75F96.1Very high94.3Very high100 Ų10061.3 Ų61.344%0.43932%0.321SS..EExtended strand (participates in β ladder)trans-134.8143.5-173.9-61.4-84.4000112I73 L107 L108 K109I73-F75 WeakPolarHBondContact CG2-O 3.25Å; F75-L107 HydrophobicContact CB-CD1 4.15Å; F75-L107 HydrophobicContact CD1-CD1 4.3Å; F75-L107 HydrophobicContact CD1-CD2 4.3Å; F75-L107 HydrophobicContact CD1-CG 4.27Å; F75-L108 VanDerWaalsContact CA-O 3.29Å; F75-L108 WeakPolarHBondContact CA-O 3.28Å; F75-K109 HydrophobicContact CD1-CB 4.06Å; F75-K109 HydrophobicContact CD1-CG 4.18Å; F75-K109 HydrophobicContact CE1-CB 3.91Å; F75-K109 HydrophobicContact CE1-CD 3.99Å; F75-K109 HydrophobicContact CE1-CG 3.69Å; F75-K109 HydrophobicContact CZ-CD 4.36Å; F75-K109 HydrophobicContact CZ-CG 4.21Å
76I95.7Very high94.2Very high4 Ų460.7 Ų60.72%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-138.6142.8172.8-170.8166.9000110.5E2 L5 F6 W65 V78 L108E2-I76 HydrophobicContact CG-CD1 3.73Å; E2-I76 HydrophobicContact CG-CG1 4.04Å; L5-I76 HydrophobicContact CD2-CD1 4.44Å; F6-I76 HydrophobicContact CB-CD1 4.06Å; F6-I76 HydrophobicContact CD2-CD1 4.06Å; W65-I76 HydrophobicContact CH2-CG2 3.65Å; W65-I76 HydrophobicContact CZ2-CG2 4.26Å; W65-I76 HydrophobicContact CZ3-CG2 4.16Å; I76-V78 HydrophobicContact CG1-CG1 4.4Å; I76-V78 HydrophobicContact CG2-CG1 4.2Å; I76-L108 HydrophobicContact CG2-CB 3.77Å; I76-L108 HydrophobicContact CG2-CD2 4.26Å; I76-L108 PolarHBondContact N-O 3.05Å; I76-L108 PolarHBondContact O-N 3.26Å
77R95.3Very high94Very high174 Ų17455.9 Ų55.966%0.65730%0.296SS*.EExtended strand (participates in β ladder)trans-100.7118.5176.7-73179.5173.883.3-2.3110.4K105 A106 L107R77-K105 HydrophobicContact CB-CD 4.39Å; R77-A106 WeakPolarHBondContact CA-O 3.3Å; R77-L107 HydrophobicContact CG-CD1 3.96Å
78V94.6Very high93.9Very high0 Ų055.1 Ų55.10%029%0.29CS..EExtended strand (participates in β ladder)trans-117.2149.5-177.4-47.50000111.4F6 F10 I76 S80 I83 K105 A106 L108F6-V78 HydrophobicContact CD2-CG1 4.29Å; F6-V78 HydrophobicContact CE2-CB 4.26Å; F6-V78 HydrophobicContact CE2-CG1 4.04Å; F10-V78 HydrophobicContact CE2-CB 4.25Å; F10-V78 HydrophobicContact CE2-CG1 3.82Å; F10-V78 HydrophobicContact CZ-CB 4.02Å; F10-V78 HydrophobicContact CZ-CG1 3.91Å; F10-V78 HydrophobicContact CZ-CG2 4.21Å; I76-V78 HydrophobicContact CG1-CG1 4.4Å; I76-V78 HydrophobicContact CG2-CG1 4.2Å; V78-S80 PolarHBondContact O-N 3.1Å; V78-I83 HydrophobicContact CG2-CD1 4.31Å; V78-I83 HydrophobicContact CG2-CG2 3.79Å; V78-K105 CarbonylContact O-C 3.48Å; V78-K105 VanDerWaalsContact O-CA 3.24Å; V78-K105 WeakPolarHBondContact O-CA 3.4Å; V78-K105 WeakPolarHBondContact O-CB 3.28Å; V78-A106 HydrophobicContact CG2-CB 4.37Å; V78-A106 PolarHBondContact N-O 3.08Å; V78-A106 PolarHBondContact O-N 3.01Å; V78-L108 HydrophobicContact CB-CD1 4.35Å; V78-L108 HydrophobicContact CG1-CD1 4.12Å; V78-L108 HydrophobicContact CG1-CD2 3.82Å; V78-L108 HydrophobicContact CG2-CD1 3.38Å; V78-L108 HydrophobicContact CG2-CD2 4.15Å; V78-L108 HydrophobicContact CG2-CG 4.43Å
79P94.1Very high93.9Very high43 Ų4350.6 Ų50.628%0.27925%0.252SS..EExtended strand (participates in β ladder)trans-58.2131.3167.9-23.235.3000110.8N81 K82P79-N81 WeakPolarHBondContact CB-OD1 3.25Å; P79-N81 PolarHBondContact O-N 3.37Å; P79-K82 HydrophobicContact CB-CG 4.5Å; P79-K82 PolarHBondContact O-N 2.61Å
80S92.4Very high93.9Very high2 Ų246 Ų461%0.01423%0.231CC..G310 helixtrans-60.4-30.7-179.661.70000112.5V78 K82 I83 R85 D102 T104V78-S80 PolarHBondContact O-N 3.1Å; S80-K82 PolarHBondContact O-N 3.1Å; S80-K82 VanDerWaalsContact O-N 3.14Å; S80-I83 WeakPolarHBondContact O-CG1 3.35Å; S80-I83 PolarHBondContact O-N 3.26Å; S80-R85 VanDerWaalsContact CB-NH1 3.33Å; S80-R85 PolarHBondContact O-NH2 3.18Å; S80-R85 PolarHBondContact OG-NH1 2.97Å; S80-R85 PolarHBondContact OG-NH2 2.82Å; S80-D102 PolarHBondContact OG-O 2.86Å; S80-T104 VanDerWaalsContact CB-O 3.28Å; S80-T104 WeakPolarHBondContact CB-O 3.4Å; S80-T104 PolarHBondContact OG-O 2.79Å
81N91Very high93.9Very high94 Ų9448.1 Ų48.150%0.50324%0.239SC..G310 helixtrans-73.75.1179.273.8-17.7000115.8Q15 P79Q15-N81 PolarHBondContact OE1-O 2.8Å; P79-N81 WeakPolarHBondContact CB-OD1 3.25Å; P79-N81 PolarHBondContact O-N 3.37Å
82K92.3Very high94Very high96 Ų9642.7 Ų42.742%0.41721%0.21SC..G310 helixtrans-112.7-6.8174.9-70.6-169174.2-171.40114F6 F10 Y13 P79 S80F6-K82 HydrophobicContact CZ-CD 4.3Å; F10-K82 HydrophobicContact CD1-CB 4.36Å; F10-K82 HydrophobicContact CE1-CB 4.04Å; F10-K82 WeakPolarHBondContact CE1-O 3.29Å; Y13-K82 WeakPolarHBondContact CD1-O 3.34Å; P79-K82 HydrophobicContact CB-CG 4.5Å; P79-K82 PolarHBondContact O-N 2.61Å; S80-K82 PolarHBondContact O-N 3.1Å; S80-K82 VanDerWaalsContact O-N 3.14Å
83I95.1Very high93.9Very high5 Ų541.4 Ų41.43%0.02619%0.191CC..SBendtrans-110.9158.2178.755.3170.9000109.7F10 W58 L63 V78 S80 A106 I114F10-I83 HydrophobicContact CE1-CG2 3.81Å; F10-I83 HydrophobicContact CZ-CG2 3.9Å; W58-I83 HydrophobicContact CH2-CD1 4.39Å; W58-I83 HydrophobicContact CZ2-CD1 4.04Å; L63-I83 HydrophobicContact CD1-CG2 3.79Å; V78-I83 HydrophobicContact CG2-CD1 4.31Å; V78-I83 HydrophobicContact CG2-CG2 3.79Å; S80-I83 WeakPolarHBondContact O-CG1 3.35Å; S80-I83 PolarHBondContact O-N 3.26Å; I83-A106 HydrophobicContact CD1-CB 3.57Å; I83-I114 HydrophobicContact CD1-CD1 4.25Å; I83-I114 HydrophobicContact CD1-CG2 3.89Å
84W95.4Very high93.5Very high5 Ų542 Ų422%0.01920%0.2CC..  trans-65.6142.9164179.290.9000109.3Y13 Q15 R18 P19 V27 W58 P86 I154Y13-W84 PolarHBondContact OH-N 3.46Å; Q15-W84 WeakPolarHBondContact O-CA 3.41Å; Q15-W84 WeakPolarHBondContact O-CB 3.49Å; R18-W84 HydrophobicContact CB-CZ2 4.42Å; R18-W84 HydrophobicContact CG-CZ2 4.04Å; P19-W84 HydrophobicContact CG-CD2 4.11Å; P19-W84 HydrophobicContact CG-CE3 3.65Å; P19-W84 HydrophobicContact CG-CZ3 4.11Å; V27-W84 HydrophobicContact CB-CH2 4.45Å; V27-W84 HydrophobicContact CG1-CH2 4.21Å; V27-W84 HydrophobicContact CG1-CZ3 4.15Å; V27-W84 HydrophobicContact CG2-CH2 4.46Å; W58-W84 AromaticContact CD1-CZ3 3.94Å; W58-W84 HydrophobicContact CG-CZ3 4.44Å; W58-W84 VanDerWaalsContact CZ2-O 3.29Å; W58-W84 WeakPolarHBondContact CZ2-O 3.39Å; W58-W84 AromaticContact NE1-CE3 3.75Å; W58-W84 AromaticContact NE1-CZ3 3.95Å; W84-P86 HydrophobicContact CH2-CB 4.14Å; W84-I154 HydrophobicContact CH2-CD1 3.97Å; W84-I154 HydrophobicContact CZ2-CD1 4.02Å
85R93.1Very high92.8Very high50 Ų5040.9 Ų40.919%0.18920%0.2CC..  trans-135.7150.5176.871.1178.779.9-141.320.4109.8S80 D102S80-R85 VanDerWaalsContact CB-NH1 3.33Å; S80-R85 PolarHBondContact O-NH2 3.18Å; S80-R85 PolarHBondContact OG-NH1 2.97Å; S80-R85 PolarHBondContact OG-NH2 2.82Å; R85-D102 IonicContact CZ-OD1 3.76Å; R85-D102 IonicContact CZ-OD2 3.1Å; R85-D102 VanDerWaalsContact CZ-OD2 3.23Å; R85-D102 IonicContact NE-OD1 2.82Å; R85-D102 IonicContact NE-OD2 3.83Å; R85-D102 IonicContact NH1-OD1 3.03Å; R85-D102 PolarHBondContact NH1-OD1 2.95Å; R85-D102 IonicContact NH1-OD2 2.65Å; R85-D102 IonicContact NH2-OD1 3.99Å; R85-D102 PolarHBondContact NH2-OD1 3.48Å; R85-D102 IonicContact NH2-OD2 3.42Å; R85-D102 PolarHBondContact NH2-OD2 3.08Å
86P94.1Very high91.8Very high5 Ų538.6 Ų38.63%0.03221%0.205CC..  trans-71150.6167.731.4-34.8000111.2V29 W84 I88 I154V29-P86 HydrophobicContact CG1-CG 4.16Å; V29-P86 HydrophobicContact CG2-CB 4.2Å; V29-P86 HydrophobicContact CG2-CG 4.3Å; W84-P86 HydrophobicContact CH2-CB 4.14Å; P86-I88 HydrophobicContact CB-CD1 4.04Å; P86-I88 HydrophobicContact CB-CG1 4.05Å; P86-I88 HydrophobicContact CG-CG1 4.16Å; P86-I88 PolarHBondContact O-N 3.03Å; P86-I154 HydrophobicContact CB-CD1 4.27Å
87D91.7Very high90.9Very high33 Ų3345.7 Ų45.718%0.17624%0.243CC..  trans-93.956.5179.863.3-23.6000111.6V89 S146 W147 T148 Y149D87-V89 PolarHBondContact O-N 3.3Å; D87-S146 WeakPolarHBondContact OD1-CB 3.32Å; D87-S146 PolarHBondContact OD1-OG 2.86Å; D87-W147 PolarHBondContact O-N 3.05Å; D87-W147 PolarHBondContact OD2-N 2.89Å; D87-T148 WeakPolarHBondContact OD2-CB 3.34Å; D87-T148 PolarHBondContact OD2-N 3.33Å; D87-T148 PolarHBondContact OD2-OG1 2.67Å; D87-Y149 WeakPolarHBondContact OD1-CD2 3.39Å
88I93.4Very high90Very high13 Ų1342.4 Ų42.47%0.06723%0.234CC..EExtended strand (participates in β ladder)trans-73.6121179.1-50.2-53.3000109.8F31 P86 F144 G145 L156F31-I88 HydrophobicContact CE2-CG2 4.08Å; F31-I88 HydrophobicContact CZ-CG2 4.15Å; P86-I88 HydrophobicContact CB-CD1 4.04Å; P86-I88 HydrophobicContact CB-CG1 4.05Å; P86-I88 HydrophobicContact CG-CG1 4.16Å; P86-I88 PolarHBondContact O-N 3.03Å; I88-F144 HydrophobicContact CG2-CB 4.17Å; I88-F144 HydrophobicContact CG2-CD1 4.47Å; I88-G145 WeakPolarHBondContact CA-O 3.15Å; I88-L156 HydrophobicContact CD1-CD2 3.68Å
89V93.6Very high89Confident5 Ų548.7 Ų48.73%0.0327%0.266CS..EExtended strand (participates in β ladder)trans-129.3157.3-178.5-61.50000111.4D87 Y91 L99 F144 G145 W147D87-V89 PolarHBondContact O-N 3.3Å; V89-Y91 HydrophobicContact CG2-CD1 3.88Å; V89-Y91 HydrophobicContact CG2-CE1 3.78Å; V89-L99 HydrophobicContact CG1-CD2 4.11Å; V89-F144 WeakPolarHBondContact O-CA 3.29Å; V89-G145 PolarHBondContact N-O 2.89Å; V89-G145 PolarHBondContact O-N 3.48Å; V89-W147 HydrophobicContact CG2-CB 3.87Å; V89-W147 HydrophobicContact CG2-CD2 4.39Å; V89-W147 HydrophobicContact CG2-CE3 3.78Å; V89-W147 HydrophobicContact CG2-CG 4.48Å
90L94.5Very high88.2Confident2 Ų247.8 Ų47.81%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-88113.8171.5-179.771.7000109.5N92 N93 F122 M142 K143 F144L90-N92 WeakPolarHBondContact CD1-OD1 3.34Å; L90-N93 HydrophobicContact CB-CB 4.5Å; L90-N93 HydrophobicContact CD2-CB 4.1Å; L90-N93 HydrophobicContact CG-CB 4.36Å; L90-F122 HydrophobicContact CB-CD1 3.99Å; L90-F122 HydrophobicContact CB-CE1 4.06Å; L90-F122 HydrophobicContact CD2-CB 4.11Å; L90-F122 HydrophobicContact CD2-CD1 3.71Å; L90-F122 HydrophobicContact CD2-CG 4.24Å; L90-F122 HydrophobicContact CG-CD1 4.44Å; L90-M142 HydrophobicContact CD1-CB 4Å; L90-M142 HydrophobicContact CD1-CE 4.17Å; L90-M142 HydrophobicContact CD2-CE 4.14Å; L90-K143 WeakPolarHBondContact CA-O 3.49Å; L90-F144 HydrophobicContact CB-CD1 4.37Å; L90-F144 HydrophobicContact CB-CE1 4.16Å; L90-F144 HydrophobicContact CD1-CD1 4.37Å; L90-F144 HydrophobicContact CD1-CE1 4.08Å; L90-F144 HydrophobicContact CD1-CE2 4.37Å; L90-F144 HydrophobicContact CD1-CZ 4.09Å
91Y93.2Very high87.4Confident52 Ų5253.5 Ų53.520%0.20429%0.287CS..THydrogen-bonded Turntrans-70.3-39.1-178.3-64.5-21000113V89 N93 K143 S146 W147 Y188 D197V89-Y91 HydrophobicContact CG2-CD1 3.88Å; V89-Y91 HydrophobicContact CG2-CE1 3.78Å; Y91-N93 PolarHBondContact O-N 3.35Å; Y91-K143 HydrophobicContact CD2-CD 3.78Å; Y91-K143 HydrophobicContact CD2-CG 3.81Å; Y91-K143 HydrophobicContact CG-CG 4.49Å; Y91-K143 PolarHBondContact N-O 3.2Å; Y91-S146 PolarHBondContact OH-O 2.94Å; Y91-W147 HydrophobicContact CD1-CE3 4.06Å; Y91-W147 HydrophobicContact CD1-CZ3 4.15Å; Y91-W147 AromaticContact CE1-CE3 3.93Å; Y91-W147 HydrophobicContact CE1-CE3 3.93Å; Y91-W147 HydrophobicContact CE1-CZ3 4.4Å; Y91-Y188 VanDerWaalsContact CE2-OH 3.29Å; Y91-Y188 WeakPolarHBondContact CE2-OH 3.48Å; Y91-D197 HydrophobicContact CE2-CB 4.22Å
92N93.9Very high86.4Confident28 Ų2852.7 Ų52.715%0.1528%0.282CS..THydrogen-bonded Turntrans-90.540.8178.369.2-54.1000112.5L90 S124 S125 S141 K143L90-N92 WeakPolarHBondContact CD1-OD1 3.34Å; N92-S124 CarbonylContact O-C 3.51Å; N92-S124 VanDerWaalsContact O-CA 3.28Å; N92-S124 WeakPolarHBondContact O-CA 3.38Å; N92-S125 PolarHBondContact ND2-O 3.24Å; N92-S125 PolarHBondContact O-N 3.47Å; N92-S125 PolarHBondContact O-OG 3.27Å; N92-S141 PolarHBondContact ND2-O 3.39Å; N92-K143 PolarHBondContact OD1-N 3.08Å
93N92.6Very high85.6Confident24 Ų2455.6 Ų55.613%0.12830%0.295CS..BIsolated β-bridgetrans-74130.6172.7-168.837.4000110.4L90 Y91 V95 G96 F98 K123L90-N93 HydrophobicContact CB-CB 4.5Å; L90-N93 HydrophobicContact CD2-CB 4.1Å; L90-N93 HydrophobicContact CG-CB 4.36Å; Y91-N93 PolarHBondContact O-N 3.35Å; N93-V95 PolarHBondContact ND2-O 2.96Å; N93-V95 PolarHBondContact OD1-O 2.83Å; N93-G96 PolarHBondContact ND2-O 2.84Å; N93-F98 HydrophobicContact CB-CD1 3.84Å; N93-F98 HydrophobicContact CB-CE1 3.68Å; N93-F98 HydrophobicContact CB-CZ 4.49Å; N93-K123 PolarHBondContact OD1-O 3.26Å; N93-K123 VanDerWaalsContact OD1-O 3.09Å
94A85.5Confident85.4Confident45 Ų4557.1 Ų57.137%0.37230%0.304SS..  trans-92.3-33.4-17900000113.1I47 K123I47-A94 HydrophobicContact CD1-CB 3.92Å; I47-A94 HydrophobicContact CG1-CB 3.77Å; I47-A94 HydrophobicContact CG2-CB 4.48Å; A94-K123 WeakPolarHBondContact CB-O 3.36Å; A94-K123 PolarHBondContact N-O 2.89Å
95V82.2Confident85.4Confident78 Ų7863.6 Ų63.647%0.47333%0.333SS..SBendtrans-147.9136.1-171.4178.10000111.1I47 N93 K123I47-V95 HydrophobicContact CD1-CG2 3.76Å; N93-V95 PolarHBondContact ND2-O 2.96Å; N93-V95 PolarHBondContact OD1-O 2.83Å; V95-K123 HydrophobicContact CB-CB 4.39Å; V95-K123 HydrophobicContact CB-CD 4.03Å; V95-K123 HydrophobicContact CG1-CD 4.31Å
96G74.9Confident85.5Confident52 Ų5261.3 Ų61.354%0.53632%0.324SS..SBendtrans93.7-173.1171.500000114.2N93N93-G96 PolarHBondContact ND2-O 2.84Å
97D75.9Confident85.7Confident154 Ų15463.7 Ų63.782%0.82434%0.336SS*.  trans-71.1139.9-178.9-66.6-39.6000111.6L99D97-L99 VanDerWaalsContact C-N 3.28Å; D97-L99 PolarHBondContact O-N 2.92Å
98F75.8Confident85.9Confident105 Ų10562.1 Ų62.146%0.46133%0.328SS..SBendtrans-77.8-12.6179-64.7-95.8000113.4N93N93-F98 HydrophobicContact CB-CD1 3.84Å; N93-F98 HydrophobicContact CB-CE1 3.68Å; N93-F98 HydrophobicContact CB-CZ 4.49Å
99L75.2Confident86.1Confident131 Ų13164.8 Ų64.869%0.68634%0.339SS*.SBendtrans-99136.6-175.7-63.4177000111.2V89 D97V89-L99 HydrophobicContact CG1-CD2 4.11Å; D97-L99 VanDerWaalsContact C-N 3.28Å; D97-L99 PolarHBondContact O-N 2.92Å
100V76.6Confident86.2Confident24 Ų2468.6 Ų68.615%0.14535%0.354CS..PPolyproline II helixtrans-71.5139.3177177.10000110.8L54 D102 P118 A120 F122L54-V100 HydrophobicContact CD1-CG2 4.15Å; V100-D102 PolarHBondContact O-N 3.12Å; V100-P118 HydrophobicContact CG1-CB 3.56Å; V100-P118 HydrophobicContact CG1-CG 3.79Å; V100-A120 HydrophobicContact CG1-CB 4.22Å; V100-A120 HydrophobicContact CG2-CB 4.35Å; V100-F122 HydrophobicContact CG2-CZ 4.03Å
101E75.6Confident86.3Confident122 Ų12270.8 Ų70.857%0.5737%0.366SS*.PPolyproline II helixtrans-67123.7178.1-73.3-160.8133.400113K103E101-K103 PolarHBondContact O-N 2.95Å; E101-K103 WeakPolarHBondContact OE1-CE 3.45Å; E101-K103 IonicContact OE1-NZ 3.63Å; E101-K103 PolarHBondContact OE1-NZ 3.46Å; E101-K103 VanDerWaalsContact OE2-CE 3.3Å; E101-K103 WeakPolarHBondContact OE2-CE 3.21Å; E101-K103 IonicContact OE2-NZ 2.66Å; E101-K103 PolarHBondContact OE2-NZ 3.1Å
102D69.1Low86.4Confident77 Ų7768.4 Ų68.441%0.41236%0.356SS..THydrogen-bonded Turntrans-76.326.6-172-81.4-19000116.4S80 R85 V100 T104S80-D102 PolarHBondContact OG-O 2.86Å; R85-D102 IonicContact CZ-OD1 3.76Å; R85-D102 IonicContact CZ-OD2 3.1Å; R85-D102 VanDerWaalsContact CZ-OD2 3.23Å; R85-D102 IonicContact NE-OD1 2.82Å; R85-D102 IonicContact NE-OD2 3.83Å; R85-D102 IonicContact NH1-OD1 3.03Å; R85-D102 PolarHBondContact NH1-OD1 2.95Å; R85-D102 IonicContact NH1-OD2 2.65Å; R85-D102 IonicContact NH2-OD1 3.99Å; R85-D102 PolarHBondContact NH2-OD1 3.48Å; R85-D102 IonicContact NH2-OD2 3.42Å; R85-D102 PolarHBondContact NH2-OD2 3.08Å; V100-D102 PolarHBondContact O-N 3.12Å; D102-T104 PolarHBondContact O-N 3.44Å
103K76.6Confident86.6Confident158 Ų15869 Ų6969%0.68736%0.361SS*.THydrogen-bonded Turntrans-78.7-18.3-171-67.2172.6-173.6159.90114.1E101E101-K103 PolarHBondContact O-N 2.95Å; E101-K103 WeakPolarHBondContact OE1-CE 3.45Å; E101-K103 IonicContact OE1-NZ 3.63Å; E101-K103 PolarHBondContact OE1-NZ 3.46Å; E101-K103 VanDerWaalsContact OE2-CE 3.3Å; E101-K103 WeakPolarHBondContact OE2-CE 3.21Å; E101-K103 IonicContact OE2-NZ 2.66Å; E101-K103 PolarHBondContact OE2-NZ 3.1Å
104T91.3Very high86.8Confident36 Ų3667.9 Ų67.922%0.22136%0.355CS..SBendtrans-86.5153.2-177.859.70000113.6S80 D102 W116 P119S80-T104 VanDerWaalsContact CB-O 3.28Å; S80-T104 WeakPolarHBondContact CB-O 3.4Å; S80-T104 PolarHBondContact OG-O 2.79Å; D102-T104 PolarHBondContact O-N 3.44Å; T104-W116 PolarHBondContact OG1-NE1 3.32Å; T104-P119 HydrophobicContact CG2-CG 4.48Å
105K94.4Very high87.3Confident142 Ų14267.4 Ų67.462%0.61735%0.348SS*.EExtended strand (participates in β ladder)trans-86.8143.6171.4-65.3-178.4-176.4178.20110.2R77 V78R77-K105 HydrophobicContact CB-CD 4.39Å; V78-K105 CarbonylContact O-C 3.48Å; V78-K105 VanDerWaalsContact O-CA 3.24Å; V78-K105 WeakPolarHBondContact O-CA 3.4Å; V78-K105 WeakPolarHBondContact O-CB 3.28Å
106A96Very high88Confident1 Ų164.1 Ų64.11%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-86.9151.516800000110.6R77 V78 I83 L108 I114 W116R77-A106 WeakPolarHBondContact CA-O 3.3Å; V78-A106 HydrophobicContact CG2-CB 4.37Å; V78-A106 PolarHBondContact N-O 3.08Å; V78-A106 PolarHBondContact O-N 3.01Å; I83-A106 HydrophobicContact CD1-CB 3.57Å; A106-L108 HydrophobicContact CB-CD1 4.19Å; A106-I114 HydrophobicContact CB-CG2 4Å; A106-W116 HydrophobicContact CB-CB 4.12Å; A106-W116 HydrophobicContact CB-CG 4.36Å
107L97Very high88.9Confident55 Ų5564.1 Ų64.129%0.28832%0.316SS..EExtended strand (participates in β ladder)trans-99.9121.2171.9-17768000108.6F75 R77 I114 T115F75-L107 HydrophobicContact CB-CD1 4.15Å; F75-L107 HydrophobicContact CD1-CD1 4.3Å; F75-L107 HydrophobicContact CD1-CD2 4.3Å; F75-L107 HydrophobicContact CD1-CG 4.27Å; R77-L107 HydrophobicContact CG-CD1 3.96Å; L107-I114 WeakPolarHBondContact O-CA 3.43Å; L107-T115 PolarHBondContact N-O 3.33Å; L107-T115 PolarHBondContact O-N 3.21Å
108L96.9Very high89.8Confident1 Ų156.8 Ų56.81%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-103.9137.6174.7-80.456.8000108.5L63 W65 F75 I76 V78 A106 I114L63-L108 HydrophobicContact CB-CD2 4.27Å; L63-L108 HydrophobicContact CD1-CD2 4.01Å; W65-L108 HydrophobicContact CH2-CB 4.16Å; W65-L108 HydrophobicContact CZ3-CB 4.26Å; F75-L108 VanDerWaalsContact CA-O 3.29Å; F75-L108 WeakPolarHBondContact CA-O 3.28Å; I76-L108 HydrophobicContact CG2-CB 3.77Å; I76-L108 HydrophobicContact CG2-CD2 4.26Å; I76-L108 PolarHBondContact N-O 3.05Å; I76-L108 PolarHBondContact O-N 3.26Å; V78-L108 HydrophobicContact CB-CD1 4.35Å; V78-L108 HydrophobicContact CG1-CD1 4.12Å; V78-L108 HydrophobicContact CG1-CD2 3.82Å; V78-L108 HydrophobicContact CG2-CD1 3.38Å; V78-L108 HydrophobicContact CG2-CD2 4.15Å; V78-L108 HydrophobicContact CG2-CG 4.43Å; A106-L108 HydrophobicContact CB-CD1 4.19Å; L108-I114 HydrophobicContact CD1-CG1 4.44Å; L108-I114 HydrophobicContact CD1-CG2 4.02Å; L108-I114 HydrophobicContact CG-CD1 4.44Å; L108-I114 HydrophobicContact CG-CG1 4.22Å
109K97.4Very high90.7Very high68 Ų6854.6 Ų54.630%0.29627%0.273SS..EExtended strand (participates in β ladder)trans-106.6152171.1-174.2-178.4171.2-147.60109.8W65 E74 F75 D111 G112 T113W65-K109 VanDerWaalsContact CH2-C 3.42Å; E74-K109 WeakPolarHBondContact O-CA 3.14Å; F75-K109 HydrophobicContact CD1-CB 4.06Å; F75-K109 HydrophobicContact CD1-CG 4.18Å; F75-K109 HydrophobicContact CE1-CB 3.91Å; F75-K109 HydrophobicContact CE1-CD 3.99Å; F75-K109 HydrophobicContact CE1-CG 3.69Å; F75-K109 HydrophobicContact CZ-CD 4.36Å; F75-K109 HydrophobicContact CZ-CG 4.21Å; K109-D111 WeakPolarHBondContact CB-OD1 3.47Å; K109-D111 WeakPolarHBondContact CD-OD1 3.41Å; K109-D111 WeakPolarHBondContact CD-OD2 3.48Å; K109-D111 WeakPolarHBondContact CE-OD2 3.4Å; K109-D111 VanDerWaalsContact CG-OD1 3.28Å; K109-D111 WeakPolarHBondContact CG-OD1 3.37Å; K109-D111 IonicContact NZ-OD2 3.63Å; K109-D111 PolarHBondContact NZ-OD2 2.94Å; K109-D111 PolarHBondContact O-N 2.86Å; K109-G112 PolarHBondContact O-N 2.86Å; K109-T113 PolarHBondContact N-O 2.85Å
110Y95.9Very high91.5Very high85 Ų8549.3 Ų49.333%0.33325%0.249SC..THydrogen-bonded Turntrans-56.8-24.6-174.271.9-93.7000115.4K64 W65 P67 E74 G112K64-Y110 WeakPolarHBondContact CA-O 2.91Å; W65-Y110 PolarHBondContact N-O 2.96Å; P67-Y110 HydrophobicContact CG-CD1 4.08Å; P67-Y110 HydrophobicContact CG-CD2 4.03Å; P67-Y110 HydrophobicContact CG-CG 3.71Å; E74-Y110 HydrophobicContact CB-CD1 3.92Å; E74-Y110 HydrophobicContact CB-CE1 4.44Å; E74-Y110 HydrophobicContact CG-CD1 4.09Å; E74-Y110 HydrophobicContact CG-CE1 4.3Å; E74-Y110 PolarHBondContact O-N 2.87Å; Y110-G112 VanDerWaalsContact C-N 3.26Å; Y110-G112 PolarHBondContact O-N 3.39Å
111D96.2Very high92.2Very high49 Ų4953.2 Ų53.226%0.26227%0.268SS..THydrogen-bonded Turntrans-80.4-1.5178.358.43.6000114K64 K109 T113K64-D111 WeakPolarHBondContact CE-O 3.41Å; K64-D111 WeakPolarHBondContact CG-O 3.29Å; K109-D111 WeakPolarHBondContact CB-OD1 3.47Å; K109-D111 WeakPolarHBondContact CD-OD1 3.41Å; K109-D111 WeakPolarHBondContact CD-OD2 3.48Å; K109-D111 WeakPolarHBondContact CE-OD2 3.4Å; K109-D111 VanDerWaalsContact CG-OD1 3.28Å; K109-D111 WeakPolarHBondContact CG-OD1 3.37Å; K109-D111 IonicContact NZ-OD2 3.63Å; K109-D111 PolarHBondContact NZ-OD2 2.94Å; K109-D111 PolarHBondContact O-N 2.86Å; D111-T113 WeakPolarHBondContact OD1-CB 3.4Å; D111-T113 PolarHBondContact OD1-N 3.03Å; D111-T113 VanDerWaalsContact OD1-N 3.07Å; D111-T113 PolarHBondContact OD1-OG1 2.67Å
112G95.3Very high93Very high1 Ų148.2 Ų48.21%0.0124%0.244CC..SBendtrans93.5-2.9-178.800000113.7N59 D60 K109 Y110 I114N59-G112 PolarHBondContact OD1-O 2.93Å; D60-G112 PolarHBondContact N-O 3.41Å; K109-G112 PolarHBondContact O-N 2.86Å; Y110-G112 VanDerWaalsContact C-N 3.26Å; Y110-G112 PolarHBondContact O-N 3.39Å; G112-I114 PolarHBondContact O-N 3.24Å
113T97.4Very high94.2Very high41 Ų4147.5 Ų47.525%0.25224%0.237SC..EExtended strand (participates in β ladder)trans-68.6125.1174.6-55.10000110.4I57 K109 D111I57-T113 HydrophobicContact CG2-CG2 3.49Å; I57-T113 VanDerWaalsContact CG2-CG2 3.49Å; K109-T113 PolarHBondContact N-O 2.85Å; D111-T113 WeakPolarHBondContact OD1-CB 3.4Å; D111-T113 PolarHBondContact OD1-N 3.03Å; D111-T113 VanDerWaalsContact OD1-N 3.07Å; D111-T113 PolarHBondContact OD1-OG1 2.67Å
114I97.5Very high95.1Very high0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-107.4131.4175.2-50.3-167.8000108.3I57 W58 D60 L63 I83 A106 L107 L108 G112I57-I114 VanDerWaalsContact CA-O 3.29Å; I57-I114 WeakPolarHBondContact CA-O 3.37Å; I57-I114 WeakPolarHBondContact CG2-O 3.33Å; W58-I114 HydrophobicContact CD2-CB 4.11Å; W58-I114 HydrophobicContact CD2-CG2 4.48Å; W58-I114 HydrophobicContact CE3-CB 4.47Å; W58-I114 HydrophobicContact CH2-CB 4.36Å; W58-I114 HydrophobicContact CH2-CG2 3.67Å; W58-I114 HydrophobicContact CZ2-CB 3.98Å; W58-I114 HydrophobicContact CZ2-CD1 4.07Å; W58-I114 HydrophobicContact CZ2-CG2 3.56Å; W58-I114 HydrophobicContact CZ3-CG2 4.16Å; W58-I114 PolarHBondContact N-O 2.92Å; W58-I114 VanDerWaalsContact N-O 3.14Å; W58-I114 PolarHBondContact O-N 3.42Å; D60-I114 HydrophobicContact CB-CD1 3.88Å; D60-I114 HydrophobicContact CB-CG1 4.42Å; L63-I114 HydrophobicContact CD1-CD1 3.88Å; I83-I114 HydrophobicContact CD1-CD1 4.25Å; I83-I114 HydrophobicContact CD1-CG2 3.89Å; A106-I114 HydrophobicContact CB-CG2 4Å; L107-I114 WeakPolarHBondContact O-CA 3.43Å; L108-I114 HydrophobicContact CD1-CG1 4.44Å; L108-I114 HydrophobicContact CD1-CG2 4.02Å; L108-I114 HydrophobicContact CG-CD1 4.44Å; L108-I114 HydrophobicContact CG-CG1 4.22Å; G112-I114 PolarHBondContact O-N 3.24Å
115T97Very high95.2Very high35 Ų3540.8 Ų40.822%0.21521%0.212CC..EExtended strand (participates in β ladder)trans-117.5123168.9-59.60000109.3H56 I57 L107 V117H56-T115 WeakPolarHBondContact O-CA 3.25Å; I57-T115 HydrophobicContact CG1-CG2 4.26Å; L107-T115 PolarHBondContact N-O 3.33Å; L107-T115 PolarHBondContact O-N 3.21Å; T115-V117 HydrophobicContact CG2-CG2 3.91Å
116W95.8Very high95.1Very high9 Ų934.1 Ų34.13%0.03418%0.183CC..EExtended strand (participates in β ladder)trans-127.5125.6177.1-178.149.5000110H56 W58 T104 A106 P118H56-W116 PolarHBondContact N-O 2.71Å; H56-W116 AromaticContact ND1-CE3 3.79Å; H56-W116 PolarHBondContact O-N 2.98Å; W58-W116 HydrophobicContact CH2-CB 3.73Å; W58-W116 HydrophobicContact CH2-CG 4.5Å; W58-W116 HydrophobicContact CZ3-CB 3.75Å; T104-W116 PolarHBondContact OG1-NE1 3.32Å; A106-W116 HydrophobicContact CB-CB 4.12Å; A106-W116 HydrophobicContact CB-CG 4.36Å; W116-P118 HydrophobicContact CD2-CG 4.11Å; W116-P118 HydrophobicContact CE3-CG 4.24Å; W116-P118 HydrophobicContact CH2-CB 4.39Å; W116-P118 HydrophobicContact CH2-CG 3.79Å; W116-P118 HydrophobicContact CZ2-CB 3.82Å; W116-P118 HydrophobicContact CZ2-CG 3.61Å; W116-P118 HydrophobicContact CZ3-CG 4.1Å
117V94.8Very high94.8Very high52 Ų5238.8 Ų38.832%0.31521%0.213SC..  trans-131.275.2-174-163.70000110.2W53 L54 R55 T115W53-V117 HydrophobicContact CB-CG1 3.95Å; W53-V117 HydrophobicContact CE3-CG1 4.18Å; L54-V117 WeakPolarHBondContact O-CA 3.45Å; R55-V117 HydrophobicContact CB-CG1 4.31Å; R55-V117 HydrophobicContact CB-CG2 4.21Å; R55-V117 HydrophobicContact CG-CG2 4.01Å; T115-V117 HydrophobicContact CG2-CG2 3.91Å
118P94.6Very high94.4Very high0 Ų037.1 Ų37.10%020%0.204CC..  trans-71139.6169.830.5-37.6000111.7L54 V100 W116L54-P118 HydrophobicContact CB-CG 4.42Å; L54-P118 PolarHBondContact N-O 2.76Å; L54-P118 VanDerWaalsContact O-CD 3.3Å; L54-P118 WeakPolarHBondContact O-CD 3.22Å; V100-P118 HydrophobicContact CG1-CB 3.56Å; V100-P118 HydrophobicContact CG1-CG 3.79Å; W116-P118 HydrophobicContact CD2-CG 4.11Å; W116-P118 HydrophobicContact CE3-CG 4.24Å; W116-P118 HydrophobicContact CH2-CB 4.39Å; W116-P118 HydrophobicContact CH2-CG 3.79Å; W116-P118 HydrophobicContact CZ2-CB 3.82Å; W116-P118 HydrophobicContact CZ2-CG 3.61Å; W116-P118 HydrophobicContact CZ3-CG 4.1Å
119P93.6Very high93.9Very high59 Ų5941.1 Ų41.138%0.38323%0.226SC..EExtended strand (participates in β ladder)trans-78.6144.3159.232.5-29.4000109.8L52 W53 T104L52-P119 CarbonylContact O-C 3.56Å; L52-P119 WeakPolarHBondContact O-CA 3.29Å; W53-P119 HydrophobicContact CD2-CB 4.07Å; W53-P119 HydrophobicContact CE3-CB 3.69Å; W53-P119 HydrophobicContact CE3-CG 4.14Å; W53-P119 HydrophobicContact CH2-CB 3.89Å; W53-P119 HydrophobicContact CH2-CG 4.02Å; W53-P119 HydrophobicContact CZ2-CB 4.23Å; W53-P119 HydrophobicContact CZ3-CB 3.62Å; W53-P119 HydrophobicContact CZ3-CG 3.65Å; T104-P119 HydrophobicContact CG2-CG 4.48Å
120A91.4Very high93.3Very high20 Ų2038.3 Ų38.317%0.16521%0.213CC..EExtended strand (participates in β ladder)trans-146.9151.3173.700000111.1L52 V100 F122L52-A120 PolarHBondContact N-O 2.92Å; L52-A120 PolarHBondContact O-N 2.8Å; V100-A120 HydrophobicContact CG1-CB 4.22Å; V100-A120 HydrophobicContact CG2-CB 4.35Å; A120-F122 HydrophobicContact CB-CD2 4.06Å; A120-F122 HydrophobicContact CB-CE2 3.45Å; A120-F122 VanDerWaalsContact CB-CE2 3.45Å; A120-F122 HydrophobicContact CB-CZ 3.74Å
121I92.3Very high92.8Very high107 Ų10735.9 Ų35.955%0.54921%0.208SC..EExtended strand (participates in β ladder)trans-99.5119.3170.9-49.5-175.1000106.7E49 T50 N51E49-I121 HydrophobicContact CG-CG2 3.92Å; T50-I121 WeakPolarHBondContact O-CA 3.28Å; N51-I121 WeakPolarHBondContact OD1-CG1 3.49Å
122F93.3Very high92.3Very high16 Ų1639.5 Ų39.57%0.0722%0.219CC..EExtended strand (participates in β ladder)trans-110.6138.2-179-75.2-71.7000111.4E49 T50 L52 L54 L90 V100 A120 M142 F144E49-F122 WeakPolarHBondContact CA-O 3.4Å; T50-F122 PolarHBondContact N-O 2.83Å; T50-F122 PolarHBondContact O-N 3.1Å; L52-F122 HydrophobicContact CB-CD2 4.09Å; L52-F122 HydrophobicContact CB-CE2 4.35Å; L52-F122 HydrophobicContact CD1-CD2 3.76Å; L52-F122 HydrophobicContact CD1-CE2 4.38Å; L52-F122 HydrophobicContact CG-CD2 4.11Å; L54-F122 HydrophobicContact CD1-CE2 3.77Å; L54-F122 HydrophobicContact CD1-CZ 3.64Å; L54-F122 HydrophobicContact CD2-CE2 4.04Å; L54-F122 HydrophobicContact CG-CE2 3.98Å; L54-F122 HydrophobicContact CG-CZ 4.36Å; L90-F122 HydrophobicContact CB-CD1 3.99Å; L90-F122 HydrophobicContact CB-CE1 4.06Å; L90-F122 HydrophobicContact CD2-CB 4.11Å; L90-F122 HydrophobicContact CD2-CD1 3.71Å; L90-F122 HydrophobicContact CD2-CG 4.24Å; L90-F122 HydrophobicContact CG-CD1 4.44Å; V100-F122 HydrophobicContact CG2-CZ 4.03Å; A120-F122 HydrophobicContact CB-CD2 4.06Å; A120-F122 HydrophobicContact CB-CE2 3.45Å; A120-F122 VanDerWaalsContact CB-CE2 3.45Å; A120-F122 HydrophobicContact CB-CZ 3.74Å; F122-M142 HydrophobicContact CB-CE 3.49Å; F122-M142 VanDerWaalsContact CB-CE 3.49Å; F122-M142 HydrophobicContact CD2-CE 4.46Å; F122-M142 HydrophobicContact CG-CE 4.05Å; F122-F144 HydrophobicContact CD2-CE1 4.48Å; F122-F144 HydrophobicContact CD2-CZ 4.41Å; F122-F144 HydrophobicContact CE1-CE1 4.13Å; F122-F144 HydrophobicContact CE2-CE1 4.05Å; F122-F144 HydrophobicContact CE2-CZ 4.32Å; F122-F144 AromaticContact CZ-CE1 3.89Å; F122-F144 HydrophobicContact CZ-CE1 3.89Å
123K94.3Very high91.7Very high63 Ų6340.6 Ų40.627%0.27422%0.223SC..EExtended strand (participates in β ladder)trans-117.375178.7-70.8-177.2174.5-174.10109.5I47 M48 E49 N93 A94 V95I47-K123 HydrophobicContact CG2-CB 3.94Å; I47-K123 HydrophobicContact CG2-CG 4.4Å; M48-K123 CarbonylContact O-C 3.59Å; M48-K123 WeakPolarHBondContact O-CA 3.34Å; E49-K123 HydrophobicContact CB-CG 4.48Å; E49-K123 HydrophobicContact CG-CG 4.15Å; E49-K123 WeakPolarHBondContact OE1-CE 3.39Å; E49-K123 IonicContact OE1-NZ 2.97Å; E49-K123 PolarHBondContact OE1-NZ 2.88Å; E49-K123 VanDerWaalsContact OE2-CE 3.24Å; E49-K123 WeakPolarHBondContact OE2-CE 3.29Å; E49-K123 IonicContact OE2-NZ 3.75Å; E49-K123 PolarHBondContact OE2-NZ 3.1Å; N93-K123 PolarHBondContact OD1-O 3.26Å; N93-K123 VanDerWaalsContact OD1-O 3.09Å; A94-K123 WeakPolarHBondContact CB-O 3.36Å; A94-K123 PolarHBondContact N-O 2.89Å; V95-K123 HydrophobicContact CB-CB 4.39Å; V95-K123 HydrophobicContact CB-CD 4.03Å; V95-K123 HydrophobicContact CG1-CD 4.31Å
124S94.6Very high91.2Very high0 Ų038.8 Ų38.80%021%0.212CC..EExtended strand (participates in β ladder)trans-73.3136.3179.947.90000111.4M48 N92M48-S124 WeakPolarHBondContact CE-OG 3.47Å; M48-S124 PolarHBondContact N-O 2.86Å; M48-S124 PolarHBondContact O-N 2.66Å; M48-S124 PolarHBondContact O-OG 3.5Å; N92-S124 CarbonylContact O-C 3.51Å; N92-S124 VanDerWaalsContact O-CA 3.28Å; N92-S124 WeakPolarHBondContact O-CA 3.38Å
125S93.3Very high90.8Very high53 Ų5342.1 Ų42.137%0.37123%0.227SC..EExtended strand (participates in β ladder)trans-69.8131.1164.552.70000109.8Q46 N92Q46-S125 WeakPolarHBondContact O-CA 3Å; N92-S125 PolarHBondContact ND2-O 3.24Å; N92-S125 PolarHBondContact O-N 3.47Å; N92-S125 PolarHBondContact O-OG 3.27Å
126C92.6Very high90.4Very high1 Ų140.7 Ų40.71%0.00722%0.218CC..  trans-141.4116-179.81730000109.5Q46 M128 C140Q46-C126 WeakPolarHBondContact CB-O 3.46Å; Q46-C126 PolarHBondContact O-N 2.57Å; C126-M128 HydrophobicContact CB-CE 3.82Å; C126-M128 PolarHBondContact O-N 2.93Å; C126-M128 VanDerWaalsContact SG-CE 3.51Å; C126-C140 HydrophobicContact CB-CB 3.71Å; C126-C140 WeakPolarHBondContact CB-SG 3.31Å; C126-C140 WeakPolarHBondContact SG-CA 3.41Å; C126-C140 WeakPolarHBondContact SG-CB 3.41Å; C126-C140 CovalentContact SG-SG 2.04Å; C126-C140 PolarHBondContact SG-SG 3.33Å
127P89.4Confident90.2Very high99 Ų9946.9 Ų46.964%0.64324%0.242SC*.  trans-70.3121.9174.729.5-32.4000109.6
128M88.1Confident90.2Very high21 Ų2144.8 Ų44.810%0.10323%0.229CC..  trans-98.7143.8-179.5-57.2-64176.500111.2V41 C126 Q138 C140V41-M128 HydrophobicContact CG1-CE 3.29Å; V41-M128 HydrophobicContact CG1-SD 4.25Å; C126-M128 HydrophobicContact CB-CE 3.82Å; C126-M128 PolarHBondContact O-N 2.93Å; C126-M128 VanDerWaalsContact SG-CE 3.51Å; M128-Q138 HydrophobicContact SD-CB 3.85Å; M128-Q138 HydrophobicContact SD-CG 3.72Å; M128-C140 WeakPolarHBondContact CE-SG 3.49Å
129D86.9Confident90.2Very high85 Ų8548.4 Ų48.446%0.45525%0.248SC..  trans-105.8112.3168.1-173.8-9.6000109.9T131 Q138D129-T131 VanDerWaalsContact OD1-CB 3.23Å; D129-T131 WeakPolarHBondContact OD1-CB 3.41Å; D129-T131 PolarHBondContact OD1-N 2.9Å; D129-T131 PolarHBondContact OD1-OG1 3.05Å; D129-Q138 PolarHBondContact O-NE2 2.86Å
130I85.8Confident90.3Very high8 Ų845.6 Ų45.64%0.04123%0.23CC..  trans-97.311-176.557.1171.2000113.4Y132 F133 I261 P262 V267 P269I130-Y132 VanDerWaalsContact C-N 3.31Å; I130-Y132 PolarHBondContact O-N 3.33Å; I130-F133 WeakPolarHBondContact O-CB 3.45Å; I130-F133 PolarHBondContact O-N 3.39Å; I130-I261 HydrophobicContact CD1-CG2 4.17Å; I130-P262 HydrophobicContact CD1-CB 4.31Å; I130-P262 HydrophobicContact CD1-CG 4.15Å; I130-V267 HydrophobicContact CG1-CG2 4.38Å; I130-P269 HydrophobicContact CB-CG 4.37Å; I130-P269 HydrophobicContact CD1-CG 3.67Å; I130-P269 HydrophobicContact CG1-CG 3.9Å; I130-P269 WeakPolarHBondContact O-CB 3.3Å
131T84.8Confident90.5Very high35 Ų3547 Ų4722%0.21524%0.238CC..THydrogen-bonded Turntrans-54.4-43.4-175.9-60.30000112.9D129 L270D129-T131 VanDerWaalsContact OD1-CB 3.23Å; D129-T131 WeakPolarHBondContact OD1-CB 3.41Å; D129-T131 PolarHBondContact OD1-N 2.9Å; D129-T131 PolarHBondContact OD1-OG1 3.05Å; T131-L270 WeakPolarHBondContact O-CB 3.44Å; T131-L270 PolarHBondContact O-N 3.03Å
132Y85.1Confident90.6Very high125 Ų12541.9 Ų41.949%0.4921%0.212SC..THydrogen-bonded Turntrans-102.516.8-175.6-66.3-72000114.9I130 F135I130-Y132 VanDerWaalsContact C-N 3.31Å; I130-Y132 PolarHBondContact O-N 3.33Å; Y132-F135 CarbonylContact O-C 3.59Å; Y132-F135 WeakPolarHBondContact O-CA 3.21Å; Y132-F135 PolarHBondContact O-N 3.11Å
133F84.1Confident90.8Very high23 Ų2343 Ų4310%0.10122%0.217CC..THydrogen-bonded Turntrans-51.9133.6-179.6-178.5-86000112.7I130 Y211 L215 I271I130-F133 WeakPolarHBondContact O-CB 3.45Å; I130-F133 PolarHBondContact O-N 3.39Å; F133-Y211 AromaticContact CE1-CD1 4Å; F133-Y211 HydrophobicContact CE1-CD1 4Å; F133-Y211 HydrophobicContact CE1-CE1 4.4Å; F133-Y211 HydrophobicContact CE1-CG 4.37Å; F133-Y211 HydrophobicContact CE2-CE1 4.39Å; F133-Y211 AromaticContact CZ-CD1 3.58Å; F133-Y211 HydrophobicContact CZ-CD1 3.58Å; F133-Y211 HydrophobicContact CZ-CD2 4.5Å; F133-Y211 AromaticContact CZ-CE1 3.56Å; F133-Y211 HydrophobicContact CZ-CE1 3.56Å; F133-Y211 HydrophobicContact CZ-CE2 4.49Å; F133-Y211 HydrophobicContact CZ-CG 4.06Å; F133-L215 HydrophobicContact CE1-CD1 4.49Å; F133-I271 HydrophobicContact CD1-CG2 4.04Å
134P86.9Confident90.8Very high4 Ų440 Ų403%0.02620%0.204CC..THydrogen-bonded Turncis-96.215.94.640.2-38.4000114.2D136 P208 Y211 I216P134-D136 VanDerWaalsContact C-N 3.26Å; P134-D136 VanDerWaalsContact C-OD1 3.26Å; P134-D136 PolarHBondContact O-N 2.8Å; P134-P208 HydrophobicContact CB-CB 4.37Å; P134-P208 HydrophobicContact CG-CB 4.1Å; P134-Y211 HydrophobicContact CB-CD2 3.97Å; P134-Y211 HydrophobicContact CB-CG 3.95Å; P134-I216 HydrophobicContact CG-CD1 4.27Å
135F87.5Confident90.9Very high70 Ų7040 Ų4031%0.30720%0.204SC..SBendtrans-96.243.2179.2-56.9-79.5000110.6Y132 P208 I216 P562Y132-F135 CarbonylContact O-C 3.59Å; Y132-F135 WeakPolarHBondContact O-CA 3.21Å; Y132-F135 PolarHBondContact O-N 3.11Å; F135-P208 HydrophobicContact CD1-CB 3.74Å; F135-P208 HydrophobicContact CD1-CG 3.77Å; F135-P208 HydrophobicContact CE1-CB 3.55Å; F135-P208 HydrophobicContact CE1-CG 3.56Å; F135-P208 HydrophobicContact CZ-CB 4.19Å; F135-I216 HydrophobicContact CE2-CD1 4.18Å; F135-P562 HydrophobicContact CD2-CB 4.4Å
136D89.1Confident90.9Very high4 Ų437.5 Ų37.52%0.02119%0.186CC..  trans-96148.9-171.556.7-58.2000114.1P134 Q138 R206P134-D136 VanDerWaalsContact C-N 3.26Å; P134-D136 VanDerWaalsContact C-OD1 3.26Å; P134-D136 PolarHBondContact O-N 2.8Å; D136-Q138 PolarHBondContact OD2-NE2 3.44Å; D136-R206 PolarHBondContact O-N 2.94Å; D136-R206 IonicContact OD1-CZ 2.66Å; D136-R206 IonicContact OD1-NE 2.68Å; D136-R206 PolarHBondContact OD1-NE 2.81Å; D136-R206 IonicContact OD1-NH2 3.89Å; D136-R206 IonicContact OD2-CZ 3.05Å; D136-R206 IonicContact OD2-NE 3.39Å; D136-R206 PolarHBondContact OD2-NE 3.36Å; D136-R206 IonicContact OD2-NH2 2.91Å; D136-R206 PolarHBondContact OD2-NH2 3.16Å
137Y91.8Very high90.9Very high140 Ų14045.5 Ų45.555%0.54922%0.217SC..EExtended strand (participates in β ladder)trans-115.2130.9169.4-64.8-95.4000107.7I177 I204 R205Y137-I177 HydrophobicContact CD1-CD1 3.74Å; Y137-I177 HydrophobicContact CE1-CD1 3.54Å; Y137-I204 WeakPolarHBondContact CA-O 3.36Å; Y137-R205 HydrophobicContact CD1-CB 3.98Å; Y137-R205 HydrophobicContact CD1-CG 4.41Å; Y137-R205 HydrophobicContact CE1-CB 4.02Å; Y137-R205 HydrophobicContact CE1-CG 4.12Å
138Q94.1Very high91Very high8 Ų845.1 Ų45.14%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-117.2148.1178.4-53.1-61-20.200110.5M128 D129 D136 W174 I204M128-Q138 HydrophobicContact SD-CB 3.85Å; M128-Q138 HydrophobicContact SD-CG 3.72Å; D129-Q138 PolarHBondContact O-NE2 2.86Å; D136-Q138 PolarHBondContact OD2-NE2 3.44Å; Q138-W174 HydrophobicContact CB-CZ3 4.49Å; Q138-W174 HydrophobicContact CG-CH2 3.77Å; Q138-W174 HydrophobicContact CG-CZ3 3.92Å; Q138-I204 HydrophobicContact CB-CD1 4.25Å; Q138-I204 HydrophobicContact CB-CG1 3.81Å; Q138-I204 PolarHBondContact N-O 3.35Å; Q138-I204 PolarHBondContact O-N 3.29Å
139N95Very high91.3Very high76 Ų7646.6 Ų46.641%0.40622%0.217SC..EExtended strand (participates in β ladder)trans-124.994.4178.8-178.96.7000109.8F202 Y203N139-F202 WeakPolarHBondContact CA-O 3.49Å; N139-Y203 HydrophobicContact CB-CD1 4.09Å; N139-Y203 HydrophobicContact CB-CE1 4.03Å; N139-Y203 VanDerWaalsContact CG-CE1 3.42Å; N139-Y203 VanDerWaalsContact ND2-CE1 3.25Å; N139-Y203 WeakPolarHBondContact ND2-CE1 3.45Å; N139-Y203 PolarHBondContact ND2-OH 3.26Å
140C95.8Very high91.7Very high0 Ų043.4 Ų43.40%020%0.2CC..EExtended strand (participates in β ladder)trans-100.3122-176.9-68.10000111.9M48 C126 M128 F202M48-C140 HydrophobicContact CE-CB 3.8Å; M48-C140 HydrophobicContact SD-CB 3.63Å; C126-C140 HydrophobicContact CB-CB 3.71Å; C126-C140 WeakPolarHBondContact CB-SG 3.31Å; C126-C140 WeakPolarHBondContact SG-CA 3.41Å; C126-C140 WeakPolarHBondContact SG-CB 3.41Å; C126-C140 CovalentContact SG-SG 2.04Å; C126-C140 PolarHBondContact SG-SG 3.33Å; M128-C140 WeakPolarHBondContact CE-SG 3.49Å; C140-F202 PolarHBondContact N-O 3.29Å; C140-F202 PolarHBondContact O-N 2.97Å
141S95.7Very high92.1Very high48 Ų4846.7 Ų46.734%0.33621%0.214SC..EExtended strand (participates in β ladder)trans-91.6144.6175.559.90000112.1N92 Y200N92-S141 PolarHBondContact ND2-O 3.39Å; S141-Y200 CarbonylContact C-O 3.51Å; S141-Y200 VanDerWaalsContact CA-O 3.3Å; S141-Y200 WeakPolarHBondContact CA-O 3.23Å
142M95.5Very high92.5Very high0 Ų048 Ų480%023%0.229CC..EExtended strand (participates in β ladder)trans-125.3114.5170-64.2-170.875.100108.5M48 L52 L90 F122 F144 T199 Y200 F202M48-M142 HydrophobicContact CE-CG 3.75Å; M48-M142 HydrophobicContact CE-SD 3.69Å; L52-M142 HydrophobicContact CD1-CE 3.66Å; L52-M142 HydrophobicContact CD1-SD 3.93Å; L90-M142 HydrophobicContact CD1-CB 4Å; L90-M142 HydrophobicContact CD1-CE 4.17Å; L90-M142 HydrophobicContact CD2-CE 4.14Å; F122-M142 HydrophobicContact CB-CE 3.49Å; F122-M142 VanDerWaalsContact CB-CE 3.49Å; F122-M142 HydrophobicContact CD2-CE 4.46Å; F122-M142 HydrophobicContact CG-CE 4.05Å; M142-F144 HydrophobicContact CB-CE2 3.87Å; M142-F144 HydrophobicContact CB-CZ 4.49Å; M142-F144 HydrophobicContact CE-CE2 4.42Å; M142-F144 HydrophobicContact CE-CZ 3.98Å; M142-T199 WeakPolarHBondContact O-CA 3.34Å; M142-Y200 PolarHBondContact N-O 3.04Å; M142-Y200 PolarHBondContact O-N 2.83Å; M142-F202 HydrophobicContact CB-CE2 4.35Å; M142-F202 HydrophobicContact CG-CD2 4.2Å; M142-F202 HydrophobicContact CG-CE2 3.9Å; M142-F202 HydrophobicContact SD-CD2 4.24Å; M142-F202 HydrophobicContact SD-CE2 3.56Å; M142-F202 VanDerWaalsContact SD-CE2 3.56Å; M142-F202 HydrophobicContact SD-CZ 4.23Å
143K95.6Very high93Very high39 Ų3946.2 Ų46.217%0.1722%0.223CC..EExtended strand (participates in β ladder)trans-105.1103.1-171.6-173.8171-170.8-173.20111.5L90 Y91 N92 Y188 D197L90-K143 WeakPolarHBondContact CA-O 3.49Å; Y91-K143 HydrophobicContact CD2-CD 3.78Å; Y91-K143 HydrophobicContact CD2-CG 3.81Å; Y91-K143 HydrophobicContact CG-CG 4.49Å; Y91-K143 PolarHBondContact N-O 3.2Å; N92-K143 PolarHBondContact OD1-N 3.08Å; K143-Y188 PolarHBondContact NZ-OH 3.12Å; K143-D197 WeakPolarHBondContact CE-OD1 3.38Å; K143-D197 WeakPolarHBondContact CE-OD2 3.41Å; K143-D197 HydrophobicContact CG-CB 4.39Å; K143-D197 IonicContact NZ-OD1 2.7Å; K143-D197 PolarHBondContact NZ-OD1 3.43Å; K143-D197 IonicContact NZ-OD2 2.77Å
144F96.2Very high93.6Very high2 Ų245.1 Ų45.11%0.00922%0.219CC..EExtended strand (participates in β ladder)trans-97.6139.8177.7-64.2-81.8000111.4F31 V33 L52 L54 I88 V89 L90 F122 M142 D197 I198 Y200F31-F144 HydrophobicContact CE1-CB 3.76Å; F31-F144 HydrophobicContact CE1-CD2 4Å; F31-F144 AromaticContact CE1-CG 3.88Å; F31-F144 HydrophobicContact CE1-CG 3.88Å; F31-F144 HydrophobicContact CZ-CB 3.94Å; F31-F144 HydrophobicContact CZ-CD1 4.09Å; F31-F144 HydrophobicContact CZ-CD2 4.17Å; F31-F144 AromaticContact CZ-CG 3.8Å; F31-F144 HydrophobicContact CZ-CG 3.8Å; V33-F144 HydrophobicContact CG2-CE2 4.28Å; L52-F144 HydrophobicContact CD1-CE2 4.48Å; L52-F144 HydrophobicContact CD1-CZ 3.93Å; L54-F144 HydrophobicContact CD1-CE1 4.27Å; L54-F144 HydrophobicContact CD2-CE1 4.14Å; L54-F144 HydrophobicContact CD2-CZ 4.16Å; I88-F144 HydrophobicContact CG2-CB 4.17Å; I88-F144 HydrophobicContact CG2-CD1 4.47Å; V89-F144 WeakPolarHBondContact O-CA 3.29Å; L90-F144 HydrophobicContact CB-CD1 4.37Å; L90-F144 HydrophobicContact CB-CE1 4.16Å; L90-F144 HydrophobicContact CD1-CD1 4.37Å; L90-F144 HydrophobicContact CD1-CE1 4.08Å; L90-F144 HydrophobicContact CD1-CE2 4.37Å; L90-F144 HydrophobicContact CD1-CZ 4.09Å; F122-F144 HydrophobicContact CD2-CE1 4.48Å; F122-F144 HydrophobicContact CD2-CZ 4.41Å; F122-F144 HydrophobicContact CE1-CE1 4.13Å; F122-F144 HydrophobicContact CE2-CE1 4.05Å; F122-F144 HydrophobicContact CE2-CZ 4.32Å; F122-F144 AromaticContact CZ-CE1 3.89Å; F122-F144 HydrophobicContact CZ-CE1 3.89Å; M142-F144 HydrophobicContact CB-CE2 3.87Å; M142-F144 HydrophobicContact CB-CZ 4.49Å; M142-F144 HydrophobicContact CE-CE2 4.42Å; M142-F144 HydrophobicContact CE-CZ 3.98Å; F144-D197 CarbonylContact O-C 3.49Å; F144-D197 WeakPolarHBondContact O-CA 3.4Å; F144-D197 WeakPolarHBondContact O-CB 3.17Å; F144-I198 PolarHBondContact N-O 3.21Å; F144-I198 PolarHBondContact O-N 2.93Å; F144-Y200 HydrophobicContact CD2-CD2 4.08Å; F144-Y200 HydrophobicContact CE2-CD2 4.27Å
145G95.3Very high94Very high0 Ų046.6 Ų46.60%023%0.226CC..EExtended strand (participates in β ladder)trans-163.1167.8175.300000112.4I88 V89I88-G145 WeakPolarHBondContact CA-O 3.15Å; V89-G145 PolarHBondContact N-O 2.89Å; V89-G145 PolarHBondContact O-N 3.48Å
146S94.5Very high94.4Very high0 Ų043.3 Ų43.30%021%0.212CC..EExtended strand (participates in β ladder)trans-73.4131.5167.9172.80000109.3D87 Y91 Y149D87-S146 WeakPolarHBondContact OD1-CB 3.32Å; D87-S146 PolarHBondContact OD1-OG 2.86Å; Y91-S146 PolarHBondContact OH-O 2.94Å; S146-Y149 WeakPolarHBondContact OG-CB 3.46Å; S146-Y149 PolarHBondContact OG-N 3.22Å; S146-Y149 VanDerWaalsContact OG-N 3.1Å
147W91.2Very high94.8Very high169 Ų16945.7 Ų45.764%0.6423%0.227SC*.SBendtrans-72.5-41.8178.4-171.4-102.6000113D87 V89 Y91D87-W147 PolarHBondContact O-N 3.05Å; D87-W147 PolarHBondContact OD2-N 2.89Å; V89-W147 HydrophobicContact CG2-CB 3.87Å; V89-W147 HydrophobicContact CG2-CD2 4.39Å; V89-W147 HydrophobicContact CG2-CE3 3.78Å; V89-W147 HydrophobicContact CG2-CG 4.48Å; Y91-W147 HydrophobicContact CD1-CE3 4.06Å; Y91-W147 HydrophobicContact CD1-CZ3 4.15Å; Y91-W147 AromaticContact CE1-CE3 3.93Å; Y91-W147 HydrophobicContact CE1-CE3 3.93Å; Y91-W147 HydrophobicContact CE1-CZ3 4.4Å
148T92.1Very high95Very high91 Ų9141 Ų4156%0.55821%0.21SC*.SBendtrans-106.1-27.4-167.1-37.80000113.4D87D87-T148 WeakPolarHBondContact OD2-CB 3.34Å; D87-T148 PolarHBondContact OD2-N 3.33Å; D87-T148 PolarHBondContact OD2-OG1 2.67Å
149Y94.3Very high95Very high52 Ų5243.8 Ų43.820%0.20423%0.225CC..  trans-99.6131.8-172.6-59.9-93.9000111.9D87 S146 K153 I154 Y195D87-Y149 WeakPolarHBondContact OD1-CD2 3.39Å; S146-Y149 WeakPolarHBondContact OG-CB 3.46Å; S146-Y149 PolarHBondContact OG-N 3.22Å; S146-Y149 VanDerWaalsContact OG-N 3.1Å; Y149-K153 HydrophobicContact CD1-CB 3.81Å; Y149-K153 HydrophobicContact CD1-CD 3.87Å; Y149-K153 HydrophobicContact CG-CB 4.45Å; Y149-I154 HydrophobicContact CD1-CD1 4.29Å; Y149-I154 HydrophobicContact CD1-CG1 4.31Å; Y149-I154 HydrophobicContact CD2-CD1 3.51Å; Y149-I154 HydrophobicContact CD2-CG1 4.32Å; Y149-I154 HydrophobicContact CE2-CD1 4.13Å; Y149-I154 HydrophobicContact CG-CD1 3.59Å; Y149-I154 HydrophobicContact CG-CG1 3.88Å; Y149-Y195 WeakPolarHBondContact O-CD1 3.43Å
150D94.6Very high94.8Very high18 Ų1841.7 Ų41.710%0.09622%0.221CC..  trans-77.1168.4169.964.3-68.7000111.9A152 K153 I154 E193 Y195D150-A152 PolarHBondContact O-N 3.14Å; D150-A152 VanDerWaalsContact O-N 3.09Å; D150-A152 VanDerWaalsContact OD2-CB 3.29Å; D150-A152 WeakPolarHBondContact OD2-CB 3.42Å; D150-A152 PolarHBondContact OD2-N 3.4Å; D150-A152 VanDerWaalsContact OD2-N 3.13Å; D150-K153 PolarHBondContact O-N 3.21Å; D150-K153 VanDerWaalsContact OD1-CD 3.28Å; D150-K153 WeakPolarHBondContact OD1-CD 3.49Å; D150-K153 WeakPolarHBondContact OD1-CE 3.42Å; D150-K153 VanDerWaalsContact OD1-CG 3.3Å; D150-K153 WeakPolarHBondContact OD1-CG 3.34Å; D150-K153 IonicContact OD1-NZ 3.06Å; D150-K153 PolarHBondContact OD1-NZ 3.01Å; D150-I154 PolarHBondContact O-N 3.26Å; D150-I154 VanDerWaalsContact O-N 3.1Å; D150-E193 HydrophobicContact CB-CB 3.92Å; D150-E193 HydrophobicContact CB-CG 4.37Å; D150-Y195 HydrophobicContact CB-CE1 4.49Å
151K94.6Very high94.6Very high76 Ų7646 Ų4633%0.3325%0.251SS..THydrogen-bonded Turntrans-56.2-28.1-177.6-173.4176.3178.11770114.2K153 I154 D185 I194 P196K151-K153 VanDerWaalsContact C-N 3.29Å; K151-K153 PolarHBondContact O-N 3.5Å; K151-I154 WeakPolarHBondContact CA-O 3.3Å; K151-D185 HydrophobicContact CD-CB 4.38Å; K151-D185 WeakPolarHBondContact CD-OD1 3.45Å; K151-D185 WeakPolarHBondContact CE-OD1 3.24Å; K151-D185 IonicContact NZ-OD1 2.66Å; K151-D185 PolarHBondContact NZ-OD1 3.25Å; K151-D185 IonicContact NZ-OD2 2.65Å; K151-D185 PolarHBondContact NZ-OD2 3.28Å; K151-I194 WeakPolarHBondContact CB-O 3.27Å; K151-I194 HydrophobicContact CD-CG2 4.42Å; K151-I194 PolarHBondContact N-O 2.9Å; K151-P196 HydrophobicContact CB-CG 4.39Å
152A94.2Very high94.5Very high63 Ų6348.6 Ų48.652%0.52126%0.257SS..THydrogen-bonded Turntrans-78.7-12.4178.400000113.1D150D150-A152 PolarHBondContact O-N 3.14Å; D150-A152 VanDerWaalsContact O-N 3.09Å; D150-A152 VanDerWaalsContact OD2-CB 3.29Å; D150-A152 WeakPolarHBondContact OD2-CB 3.42Å; D150-A152 PolarHBondContact OD2-N 3.4Å; D150-A152 VanDerWaalsContact OD2-N 3.13Å
153K95.1Very high94.5Very high87 Ų8749 Ų4938%0.37826%0.259SS..THydrogen-bonded Turntrans-106.7-38.8179-62.9-175.6-168.996.90113.1R18 P26 V27 Y149 D150 K151R18-K153 WeakPolarHBondContact CD-O 3.26Å; R18-K153 PolarHBondContact NH1-O 3.27Å; P26-K153 WeakPolarHBondContact CA-O 3.45Å; V27-K153 PolarHBondContact N-O 3.08Å; Y149-K153 HydrophobicContact CD1-CB 3.81Å; Y149-K153 HydrophobicContact CD1-CD 3.87Å; Y149-K153 HydrophobicContact CG-CB 4.45Å; D150-K153 PolarHBondContact O-N 3.21Å; D150-K153 VanDerWaalsContact OD1-CD 3.28Å; D150-K153 WeakPolarHBondContact OD1-CD 3.49Å; D150-K153 WeakPolarHBondContact OD1-CE 3.42Å; D150-K153 VanDerWaalsContact OD1-CG 3.3Å; D150-K153 WeakPolarHBondContact OD1-CG 3.34Å; D150-K153 IonicContact OD1-NZ 3.06Å; D150-K153 PolarHBondContact OD1-NZ 3.01Å; K151-K153 VanDerWaalsContact C-N 3.29Å; K151-K153 PolarHBondContact O-N 3.5Å
154I96Very high94.3Very high0 Ų048.5 Ų48.50%026%0.258CS..EExtended strand (participates in β ladder)trans-131.1129.1173.8-65.4-175.2000108.3V27 V29 W84 P86 Y149 D150 K151 L156V27-I154 WeakPolarHBondContact O-CA 3.28Å; V29-I154 HydrophobicContact CG2-CG2 3.97Å; W84-I154 HydrophobicContact CH2-CD1 3.97Å; W84-I154 HydrophobicContact CZ2-CD1 4.02Å; P86-I154 HydrophobicContact CB-CD1 4.27Å; Y149-I154 HydrophobicContact CD1-CD1 4.29Å; Y149-I154 HydrophobicContact CD1-CG1 4.31Å; Y149-I154 HydrophobicContact CD2-CD1 3.51Å; Y149-I154 HydrophobicContact CD2-CG1 4.32Å; Y149-I154 HydrophobicContact CE2-CD1 4.13Å; Y149-I154 HydrophobicContact CG-CD1 3.59Å; Y149-I154 HydrophobicContact CG-CG1 3.88Å; D150-I154 PolarHBondContact O-N 3.26Å; D150-I154 VanDerWaalsContact O-N 3.1Å; K151-I154 WeakPolarHBondContact CA-O 3.3Å; I154-L156 HydrophobicContact CG2-CD2 3.86Å
155D96.2Very high94.2Very high35 Ų3552.1 Ų52.119%0.18728%0.277CS..EExtended strand (participates in β ladder)trans-115123.3171-168.539.7000110.1V27 T28 V29 K183V27-D155 PolarHBondContact O-N 2.9Å; T28-D155 WeakPolarHBondContact CA-O 3.29Å; V29-D155 PolarHBondContact N-O 2.89Å; D155-K183 VanDerWaalsContact CG-NZ 3.34Å; D155-K183 IonicContact OD1-NZ 3.34Å; D155-K183 PolarHBondContact OD1-NZ 2.97Å; D155-K183 IonicContact OD2-NZ 3.42Å; D155-K183 PolarHBondContact OD2-NZ 2.88Å
156L96.3Very high94Very high2 Ų260.5 Ų60.51%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-89.2132-178.7-56.9-179.5000110.3V29 I88 I154 K183 P196 I198V29-L156 HydrophobicContact CB-CD2 4.1Å; V29-L156 WeakPolarHBondContact O-CA 3.32Å; I88-L156 HydrophobicContact CD1-CD2 3.68Å; I154-L156 HydrophobicContact CG2-CD2 3.86Å; L156-K183 WeakPolarHBondContact O-CD 3.02Å; L156-K183 WeakPolarHBondContact O-CE 3.39Å; L156-K183 PolarHBondContact O-NZ 3.42Å; L156-P196 HydrophobicContact CG-CB 4.4Å; L156-P196 HydrophobicContact CG-CG 4.25Å; L156-I198 HydrophobicContact CB-CD1 3.72Å; L156-I198 HydrophobicContact CB-CG1 4.16Å; L156-I198 HydrophobicContact CD1-CD1 4.42Å; L156-I198 HydrophobicContact CD1-CG1 4.37Å
157V96.4Very high93.8Very high54 Ų5466.1 Ų66.133%0.32734%0.344SS..EExtended strand (participates in β ladder)trans-127.7131.1179.3177.90000109.3T28 V29 E30 F31T28-V157 HydrophobicContact CG2-CB 4.35Å; T28-V157 HydrophobicContact CG2-CG2 3.63Å; V29-V157 PolarHBondContact O-N 2.84Å; E30-V157 CarbonylContact C-O 3.6Å; E30-V157 VanDerWaalsContact CA-O 3.29Å; E30-V157 WeakPolarHBondContact CA-O 3.29Å; F31-V157 PolarHBondContact N-O 2.82Å
158L95.9Very high93.8Very high40 Ų4060.2 Ų60.221%0.20932%0.323CS..EExtended strand (participates in β ladder)trans-78.5132.5175-70.684.7000110.2F31 G160 K183 I198 Y200F31-L158 WeakPolarHBondContact O-CA 3.47Å; L158-G160 VanDerWaalsContact C-N 3.34Å; L158-K183 HydrophobicContact CD1-CB 3.76Å; L158-I198 HydrophobicContact CD1-CD1 3.7Å; L158-I198 HydrophobicContact CD1-CG1 3.78Å; L158-I198 HydrophobicContact CD1-CG2 4.03Å; L158-I198 HydrophobicContact CD2-CG2 3.95Å; L158-I198 HydrophobicContact CG-CD1 3.96Å; L158-I198 HydrophobicContact CG-CG1 4.37Å; L158-I198 HydrophobicContact CG-CG2 3.97Å; L158-Y200 HydrophobicContact CD2-CE1 4.4Å
159I93.9Very high93.8Very high68 Ų6865 Ų6535%0.34933%0.331SS..SBendtrans-71.3-33.4171.4-56.6-179.5000110.9E30 F31 E32 I57E30-I159 HydrophobicContact CB-CD1 4.02Å; E30-I159 HydrophobicContact CB-CG1 3.79Å; F31-I159 PolarHBondContact O-N 2.87Å; F31-I159 VanDerWaalsContact O-N 3.16Å; E32-I159 HydrophobicContact CB-CB 4.1Å; E32-I159 HydrophobicContact CB-CD1 3.91Å; E32-I159 HydrophobicContact CB-CG1 4.2Å; I57-I159 HydrophobicContact CD1-CD1 3.79Å; I57-I159 HydrophobicContact CG1-CD1 4.29Å
160G90.8Very high93.5Very high31 Ų3170.3 Ų70.332%0.3236%0.357SS..SBendtrans-143.9156.2179.200000112.2L158 K162L158-G160 VanDerWaalsContact C-N 3.34Å; G160-K162 VanDerWaalsContact C-N 3.31Å; G160-K162 PolarHBondContact O-N 3.46Å
161S91.8Very high92.9Very high90 Ų9070.9 Ų70.963%0.62936%0.362SS*.SBendtrans-80.2-5.3-175.555.90000115.1G181S161-G181 PolarHBondContact O-N 3.42Å
162K94.2Very high92.5Very high104 Ų10471.1 Ų71.145%0.45239%0.387SS..BIsolated β-bridgetrans-137.1156.2179-60.1-164.2173.9-155.60110.5G160 D178 A179G160-K162 VanDerWaalsContact C-N 3.31Å; G160-K162 PolarHBondContact O-N 3.46Å; K162-D178 WeakPolarHBondContact CD-OD1 3.28Å; K162-D178 WeakPolarHBondContact CE-OD1 3.23Å; K162-D178 IonicContact NZ-OD1 3.72Å; K162-D178 PolarHBondContact NZ-OD1 3.39Å; K162-D178 IonicContact NZ-OD2 3.72Å; K162-D178 PolarHBondContact NZ-OD2 2.97Å; K162-A179 CarbonylContact C-O 3.57Å; K162-A179 VanDerWaalsContact CA-O 3.3Å; K162-A179 WeakPolarHBondContact CA-O 3.42Å
163V94.4Very high92.2Very high7 Ų771.8 Ų71.84%0.04238%0.379CS..  trans-58.3139.8168.6178.80000109.4V33 I35 L165 A179 Y200 F202V33-V163 HydrophobicContact CG1-CG1 4.31Å; V33-V163 WeakPolarHBondContact O-CG1 3.21Å; I35-V163 HydrophobicContact CB-CG1 4.21Å; I35-V163 HydrophobicContact CG2-CG1 3.85Å; V163-L165 PolarHBondContact O-N 2.82Å; V163-A179 HydrophobicContact CB-CB 3.75Å; V163-A179 HydrophobicContact CG2-CB 3.78Å; V163-A179 PolarHBondContact N-O 2.79Å; V163-Y200 HydrophobicContact CG2-CD1 3.32Å; V163-Y200 HydrophobicContact CG2-CE1 3.86Å; V163-Y200 HydrophobicContact CG2-CG 3.83Å; V163-F202 HydrophobicContact CG1-CE1 4.25Å; V163-F202 HydrophobicContact CG1-CZ 4.34Å; V163-F202 HydrophobicContact CG2-CE1 4.08Å; V163-F202 HydrophobicContact CG2-CE2 4.49Å; V163-F202 HydrophobicContact CG2-CZ 3.82Å
164N93.3Very high92.1Very high30 Ų3068 Ų6816%0.1636%0.362CS..BIsolated β-bridgetrans-81.7114.6179.4-173.6-12.4000110.2E32 V33 S34 I35 K166E32-N164 PolarHBondContact OE1-ND2 2.81Å; V33-N164 PolarHBondContact O-N 2.74Å; S34-N164 WeakPolarHBondContact CA-O 3.38Å; I35-N164 PolarHBondContact N-O 3.02Å; N164-K166 WeakPolarHBondContact OD1-CB 3.33Å; N164-K166 WeakPolarHBondContact OD1-CD 3.4Å; N164-K166 VanDerWaalsContact OD1-CG 3.25Å; N164-K166 WeakPolarHBondContact OD1-CG 3.24Å; N164-K166 PolarHBondContact OD1-N 3.22Å
165L92.7Very high92Very high77 Ų7771.6 Ų71.640%0.40338%0.379SS..  trans-98.36.2-176.5-62.4170.8000113.5I35 V163 D167 F168 I176I35-L165 HydrophobicContact CG2-CD2 3.54Å; V163-L165 PolarHBondContact O-N 2.82Å; L165-D167 VanDerWaalsContact C-N 3.32Å; L165-D167 PolarHBondContact O-N 2.84Å; L165-F168 HydrophobicContact CB-CB 4.43Å; L165-F168 HydrophobicContact CD2-CG 4.5Å; L165-F168 VanDerWaalsContact O-CB 3.23Å; L165-F168 WeakPolarHBondContact O-CB 3.39Å; L165-F168 PolarHBondContact O-N 3.27Å; L165-I176 HydrophobicContact CD2-CD1 4.21Å
166K90.6Very high91.9Very high177 Ų17771 Ų7177%0.7738%0.376SS*.THydrogen-bonded Turntrans-63.2-35.3-172.1-72.1174-175.8174.90114.3N164N164-K166 WeakPolarHBondContact OD1-CB 3.33Å; N164-K166 WeakPolarHBondContact OD1-CD 3.4Å; N164-K166 VanDerWaalsContact OD1-CG 3.25Å; N164-K166 WeakPolarHBondContact OD1-CG 3.24Å; N164-K166 PolarHBondContact OD1-N 3.22Å
167D90.6Very high91.8Very high118 Ų11875 Ų7563%0.63140%0.396SS*.THydrogen-bonded Turntrans-10522-179.3-54.4-55.3000111.4L165L165-D167 VanDerWaalsContact C-N 3.32Å; L165-D167 PolarHBondContact O-N 2.84Å
168F92.6Very high91.7Very high45 Ų4574.9 Ų74.920%0.19739%0.394CS..PPolyproline II helixtrans-75.8125.9-179.5179.5-115.4000111.4I35 L38 L165 E170 I176I35-F168 HydrophobicContact CD1-CD2 4.47Å; I35-F168 HydrophobicContact CD1-CE2 4.23Å; I35-F168 HydrophobicContact CG1-CD2 4.11Å; I35-F168 HydrophobicContact CG1-CE2 4.32Å; I35-F168 HydrophobicContact CG2-CD2 3.88Å; L38-F168 HydrophobicContact CB-CE2 4.47Å; L165-F168 HydrophobicContact CB-CB 4.43Å; L165-F168 HydrophobicContact CD2-CG 4.5Å; L165-F168 VanDerWaalsContact O-CB 3.23Å; L165-F168 WeakPolarHBondContact O-CB 3.39Å; L165-F168 PolarHBondContact O-N 3.27Å; F168-E170 HydrophobicContact CD1-CG 4.21Å; F168-E170 HydrophobicContact CE1-CB 4.46Å; F168-E170 HydrophobicContact CE1-CG 4.15Å; F168-I176 HydrophobicContact CD2-CD1 4.28Å; F168-I176 HydrophobicContact CE1-CD1 4.22Å; F168-I176 HydrophobicContact CE2-CD1 3.6Å; F168-I176 HydrophobicContact CZ-CD1 3.57Å; F168-I176 HydrophobicContact CZ-CG1 4.06Å
169W90.9Very high91.7Very high192 Ų19273 Ų7373%0.72739%0.385SS*.BIsolated β-bridgetrans-88117.2167.4-173.8-85.3000109.4S36 Q37 S171S36-W169 WeakPolarHBondContact O-CB 3.4Å; S36-W169 PolarHBondContact O-N 2.61Å; Q37-W169 HydrophobicContact CB-CB 4.4Å; W169-S171 PolarHBondContact O-N 2.95Å
170E87.7Confident91.9Very high162 Ų16270.4 Ų70.476%0.75737%0.372SS*.PPolyproline II helixtrans-64.5129.8-177.2-66.3177.9-179.500112.1F168F168-E170 HydrophobicContact CD1-CG 4.21Å; F168-E170 HydrophobicContact CE1-CB 4.46Å; F168-E170 HydrophobicContact CE1-CG 4.15Å
171S83Confident92.1Very high30 Ų3069.4 Ų69.421%0.2136%0.362CS..PPolyproline II helixtrans-89.4130.1175.8-60.60000110.3L38 W169 E173L38-S171 PolarHBondContact O-OG 2.82Å; W169-S171 PolarHBondContact O-N 2.95Å; S171-E173 PolarHBondContact O-N 2.04Å
172G84.9Confident92.4Very high82 Ų8270.5 Ų70.585%0.84535%0.353SS*.SBendtrans-71.43.4-176.200000116.5
173E89.8Confident92.5Very high77 Ų7769 Ų6936%0.3635%0.346SS..SBendtrans-120.4-30.2-178-169.6-166.2142.500112.6S171 R206 L207S171-E173 PolarHBondContact O-N 2.04Å; E173-R206 IonicContact OE1-NH1 3.23Å; E173-R206 PolarHBondContact OE1-NH1 3.09Å; E173-L207 PolarHBondContact O-N 3.37Å
174W92.6Very high92.6Very high6 Ų672.2 Ų72.22%0.02336%0.361CS..EExtended strand (participates in β ladder)trans-134.1128.7-170.7-71.495.8000111.2L38 V41 Q138 I204 R205 R206L38-W174 HydrophobicContact CD2-CB 3.7Å; L38-W174 HydrophobicContact CD2-CG 4.25Å; V41-W174 HydrophobicContact CB-CZ2 3.9Å; V41-W174 HydrophobicContact CG1-CZ2 3.99Å; V41-W174 HydrophobicContact CG2-CD2 4.12Å; V41-W174 HydrophobicContact CG2-CG 4.28Å; V41-W174 HydrophobicContact CG2-CZ2 4.18Å; Q138-W174 HydrophobicContact CB-CZ3 4.49Å; Q138-W174 HydrophobicContact CG-CH2 3.77Å; Q138-W174 HydrophobicContact CG-CZ3 3.92Å; W174-I204 HydrophobicContact CD2-CD1 4.17Å; W174-I204 HydrophobicContact CE3-CB 4.07Å; W174-I204 HydrophobicContact CE3-CD1 3.66Å; W174-I204 HydrophobicContact CE3-CG1 3.75Å; W174-I204 HydrophobicContact CH2-CD1 4.49Å; W174-I204 HydrophobicContact CZ3-CD1 3.85Å; W174-I204 HydrophobicContact CZ3-CG1 3.83Å; W174-R205 WeakPolarHBondContact CA-O 3.5Å; W174-R206 HydrophobicContact CE3-CB 4.15Å; W174-R206 HydrophobicContact CH2-CB 4.15Å; W174-R206 HydrophobicContact CZ2-CG 4.5Å; W174-R206 VanDerWaalsContact CZ2-NH1 3.31Å; W174-R206 VanDerWaalsContact CZ2-NH2 3.29Å; W174-R206 HydrophobicContact CZ3-CB 3.92Å
175E92.9Very high92.7Very high76 Ų7674.3 Ų74.336%0.35537%0.372SS..EExtended strand (participates in β ladder)trans-105.7133177.2-177-173.4-174.700109.7I204 R205E175-I204 CarbonylContact O-C 3.52Å; E175-I204 VanDerWaalsContact O-CA 3.26Å; E175-I204 WeakPolarHBondContact O-CA 3.48Å; E175-R205 VanDerWaalsContact CD-NH2 3.33Å; E175-R205 PolarHBondContact N-O 3.03Å; E175-R205 PolarHBondContact O-N 2.97Å; E175-R205 IonicContact OE1-NH2 2.61Å; E175-R205 PolarHBondContact OE1-NH2 3.06Å; E175-R205 IonicContact OE2-CZ 2.85Å; E175-R205 IonicContact OE2-NE 2.67Å; E175-R205 PolarHBondContact OE2-NE 2.92Å; E175-R205 IonicContact OE2-NH2 3.86Å; E175-R205 PolarHBondContact OE2-NH2 2.78Å
176I94.1Very high92.8Very high23 Ų2373.5 Ų73.512%0.11837%0.367CS..EExtended strand (participates in β ladder)trans-89111.7174.1-54.5177.6000108.4I35 L165 F168 A179 I204I35-I176 HydrophobicContact CD1-CD1 4.07Å; L165-I176 HydrophobicContact CD2-CD1 4.21Å; F168-I176 HydrophobicContact CD2-CD1 4.28Å; F168-I176 HydrophobicContact CE1-CD1 4.22Å; F168-I176 HydrophobicContact CE2-CD1 3.6Å; F168-I176 HydrophobicContact CZ-CD1 3.57Å; F168-I176 HydrophobicContact CZ-CG1 4.06Å; I176-A179 HydrophobicContact CG2-CB 4.28Å; I176-I204 HydrophobicContact CG1-CG2 4.09Å
177I93.8Very high93Very high85 Ų8570.8 Ų70.844%0.43636%0.356SS..EExtended strand (participates in β ladder)trans-80.7-47.2178.8-64.6173000110.4Y137 Y203 R205Y137-I177 HydrophobicContact CD1-CD1 3.74Å; Y137-I177 HydrophobicContact CE1-CD1 3.54Å; I177-Y203 PolarHBondContact N-O 2.92Å; I177-R205 HydrophobicContact CD1-CB 3.6Å; I177-R205 HydrophobicContact CG1-CB 4.2Å
178D94.8Very high93Very high52 Ų5268.4 Ų68.428%0.27834%0.338SS..EExtended strand (participates in β ladder)trans-151.6155.2174.6-155-3.9000111.7K162 Y203K162-D178 WeakPolarHBondContact CD-OD1 3.28Å; K162-D178 WeakPolarHBondContact CE-OD1 3.23Å; K162-D178 IonicContact NZ-OD1 3.72Å; K162-D178 PolarHBondContact NZ-OD1 3.39Å; K162-D178 IonicContact NZ-OD2 3.72Å; K162-D178 PolarHBondContact NZ-OD2 2.97Å; D178-Y203 HydrophobicContact CB-CD2 4.27Å; D178-Y203 PolarHBondContact N-O 3.4Å; D178-Y203 PolarHBondContact O-N 2.7Å
179A96.1Very high93Very high2 Ų274.9 Ų74.92%0.01738%0.375CS..  trans-143.96317900000112.1K162 V163 I176 S201 F202K162-A179 CarbonylContact C-O 3.57Å; K162-A179 VanDerWaalsContact CA-O 3.3Å; K162-A179 WeakPolarHBondContact CA-O 3.42Å; V163-A179 HydrophobicContact CB-CB 3.75Å; V163-A179 HydrophobicContact CG2-CB 3.78Å; V163-A179 PolarHBondContact N-O 2.79Å; I176-A179 HydrophobicContact CG2-CB 4.28Å; A179-S201 WeakPolarHBondContact CA-O 3.39Å; A179-F202 HydrophobicContact CB-CD1 3.99Å; A179-F202 HydrophobicContact CB-CE1 4.18Å
180P97.3Very high92.9Very high12 Ų1270.9 Ų70.98%0.07838%0.375CS..BIsolated β-bridgetrans-66.7150.3175.628.9-37.8000113.2Y182 Y200 S201 Y203P180-Y182 HydrophobicContact CB-CE2 3.82Å; P180-Y182 HydrophobicContact CG-CE2 3.79Å; P180-Y200 WeakPolarHBondContact O-CA 3.44Å; P180-S201 VanDerWaalsContact CD-O 3.28Å; P180-S201 WeakPolarHBondContact CD-O 3.46Å; P180-S201 PolarHBondContact O-N 2.82Å; P180-Y203 HydrophobicContact CG-CD2 4.42Å; P180-Y203 HydrophobicContact CG-CE2 3.95Å
181G96.8Very high93.1Very high10 Ų1065.1 Ų65.110%0.10335%0.352CS..EExtended strand (participates in β ladder)trans-115.8133.7172.600000112.3S161S161-G181 PolarHBondContact O-N 3.42Å
182Y96.6Very high93.5Very high114 Ų11471.7 Ų71.745%0.44738%0.379SS..EExtended strand (participates in β ladder)trans-124.5134.4-178.6-55.7-79.2000110.8P180 I198 T199P180-Y182 HydrophobicContact CB-CE2 3.82Å; P180-Y182 HydrophobicContact CG-CE2 3.79Å; Y182-I198 CarbonylContact O-C 3.58Å; Y182-I198 WeakPolarHBondContact O-CA 3.06Å; Y182-T199 PolarHBondContact N-O 2.85Å; Y182-T199 PolarHBondContact O-N 2.85Å
183K96.3Very high93.9Very high72 Ų7272.1 Ų72.131%0.31336%0.36SS..EExtended strand (participates in β ladder)trans-88.1135.1168.7-180177.9178.8168.50109.9D155 L156 L158 D197D155-K183 VanDerWaalsContact CG-NZ 3.34Å; D155-K183 IonicContact OD1-NZ 3.34Å; D155-K183 PolarHBondContact OD1-NZ 2.97Å; D155-K183 IonicContact OD2-NZ 3.42Å; D155-K183 PolarHBondContact OD2-NZ 2.88Å; L156-K183 WeakPolarHBondContact O-CD 3.02Å; L156-K183 WeakPolarHBondContact O-CE 3.39Å; L156-K183 PolarHBondContact O-NZ 3.42Å; L158-K183 HydrophobicContact CD1-CB 3.76Å; K183-D197 CarbonylContact C-O 3.59Å; K183-D197 WeakPolarHBondContact CA-O 3.44Å
184H96.3Very high94.2Very high75 Ų7572.4 Ų72.435%0.34736%0.362SS..EExtended strand (participates in β ladder)trans-124.6150.1168.7-48.8105.3000110.7I186 P196 D197H184-I186 HydrophobicContact CB-CD1 3.92Å; H184-I186 HydrophobicContact CB-CG1 3.75Å; H184-P196 WeakPolarHBondContact O-CA 3.44Å; H184-D197 IonicContact CG-OD2 2.69Å; H184-D197 PolarHBondContact N-O 2.82Å; H184-D197 IonicContact ND1-OD2 2.76Å; H184-D197 PolarHBondContact ND1-OD2 2.96Å; H184-D197 VanDerWaalsContact ND1-OD2 3.1Å; H184-D197 PolarHBondContact O-N 3.31Å
185D96.1Very high94.4Very high73 Ų7373.7 Ų73.739%0.3937%0.368SS..EExtended strand (participates in β ladder)trans-117.297.9170.7-64-51.2000107.3K151 I194K151-D185 HydrophobicContact CD-CB 4.38Å; K151-D185 WeakPolarHBondContact CD-OD1 3.45Å; K151-D185 WeakPolarHBondContact CE-OD1 3.24Å; K151-D185 IonicContact NZ-OD1 2.66Å; K151-D185 PolarHBondContact NZ-OD1 3.25Å; K151-D185 IonicContact NZ-OD2 2.65Å; K151-D185 PolarHBondContact NZ-OD2 3.28Å; D185-I194 HydrophobicContact CB-CG2 3.85Å
186I94.5Very high94.5Very high60 Ų6070.1 Ų70.131%0.30835%0.351SS..EExtended strand (participates in β ladder)trans-110.7134.9-169.3-55.7-172.2000110.2H184 Y188 Y195 D197H184-I186 HydrophobicContact CB-CD1 3.92Å; H184-I186 HydrophobicContact CB-CG1 3.75Å; I186-Y188 HydrophobicContact CG2-CE1 4.46Å; I186-Y195 PolarHBondContact N-O 2.88Å; I186-Y195 PolarHBondContact O-N 2.89Å; I186-D197 VanDerWaalsContact CD1-OD1 3.28Å; I186-D197 WeakPolarHBondContact CD1-OD1 3.1Å
187K94.9Very high94.7Very high121 Ų12169 Ų6953%0.52635%0.345SS..EExtended strand (participates in β ladder)trans-93121.1166.2177.7162.2176.1159.90109.3C191 E192 I194K187-C191 WeakPolarHBondContact CE-O 3.17Å; K187-E192 WeakPolarHBondContact CE-O 3.18Å; K187-E192 PolarHBondContact NZ-O 3.34Å; K187-I194 HydrophobicContact CB-CG1 4.45Å
188Y91.6Very high94.8Very high68 Ų6865 Ų6527%0.26733%0.325SS..  trans-87.1149.2176.3-67.7-78.4000111.2Y91 K143 I186 C190 C191 Y195Y91-Y188 VanDerWaalsContact CE2-OH 3.29Å; Y91-Y188 WeakPolarHBondContact CE2-OH 3.48Å; K143-Y188 PolarHBondContact NZ-OH 3.12Å; I186-Y188 HydrophobicContact CG2-CE1 4.46Å; Y188-C190 VanDerWaalsContact CB-SG 3.58Å; Y188-C190 PolarHBondContact O-N 3.06Å; Y188-C190 VanDerWaalsContact O-N 3.1Å; Y188-C191 PolarHBondContact O-N 3.48Å; Y188-Y195 HydrophobicContact CD2-CD2 4.03Å; Y188-Y195 HydrophobicContact CD2-CG 4.25Å; Y188-Y195 HydrophobicContact CE2-CG 4.38Å
189N92.3Very high94.9Very high180 Ų18063.3 Ų63.396%0.96332%0.316SS*.THydrogen-bonded Turntrans-65.6-13.1-179.6-67.1-11.4000114.3
190C89.6Confident95Very high108 Ų10863.2 Ų63.273%0.7332%0.316SS*.THydrogen-bonded Turntrans-85.9-18.3179.152.10000114.4Y188Y188-C190 VanDerWaalsContact CB-SG 3.58Å; Y188-C190 PolarHBondContact O-N 3.06Å; Y188-C190 VanDerWaalsContact O-N 3.1Å
191C90.1Very high94.9Very high42 Ų4263.4 Ų63.428%0.28432%0.317SS..  trans-134.5157.4-170.9-62.50000111K187 Y188 Y195K187-C191 WeakPolarHBondContact CE-O 3.17Å; Y188-C191 PolarHBondContact O-N 3.48Å; C191-Y195 HydrophobicContact CB-CE2 3.81Å
192E92.4Very high94.9Very high167 Ų16763.1 Ų63.178%0.7831%0.313SS*.SBendtrans-86.9-20177.1-67-167.8178.700112.4K187K187-E192 WeakPolarHBondContact CE-O 3.18Å; K187-E192 PolarHBondContact NZ-O 3.34Å
193E94Very high94.9Very high92 Ų9262.1 Ų62.143%0.4331%0.309SS..SBendtrans-80.8163.1-176.5-59.484.8168.600113.6D150 Y195D150-E193 HydrophobicContact CB-CB 3.92Å; D150-E193 HydrophobicContact CB-CG 4.37Å; E193-Y195 HydrophobicContact CB-CE2 4.01Å
194I95.7Very high94.8Very high82 Ų8258.7 Ų58.742%0.42129%0.294SS..EExtended strand (participates in β ladder)trans-101.4131.5175.4-57.7172.9000108.3K151 D185 K187K151-I194 WeakPolarHBondContact CB-O 3.27Å; K151-I194 HydrophobicContact CD-CG2 4.42Å; K151-I194 PolarHBondContact N-O 2.9Å; D185-I194 HydrophobicContact CB-CG2 3.85Å; K187-I194 HydrophobicContact CB-CG1 4.45Å
195Y95.9Very high94.6Very high33 Ų3359.3 Ų59.313%0.12929%0.294CS..EExtended strand (participates in β ladder)trans-112.5130.3-179.4-71.8-97000110.2Y149 D150 I186 Y188 C191 E193Y149-Y195 WeakPolarHBondContact O-CD1 3.43Å; D150-Y195 HydrophobicContact CB-CE1 4.49Å; I186-Y195 PolarHBondContact N-O 2.88Å; I186-Y195 PolarHBondContact O-N 2.89Å; Y188-Y195 HydrophobicContact CD2-CD2 4.03Å; Y188-Y195 HydrophobicContact CD2-CG 4.25Å; Y188-Y195 HydrophobicContact CE2-CG 4.38Å; C191-Y195 HydrophobicContact CB-CE2 3.81Å; E193-Y195 HydrophobicContact CB-CE2 4.01Å
196P96.1Very high94.5Very high1 Ų156 Ų561%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-83.3138.2175.833.1-30.8000110.6K151 L156 H184K151-P196 HydrophobicContact CB-CG 4.39Å; L156-P196 HydrophobicContact CG-CB 4.4Å; L156-P196 HydrophobicContact CG-CG 4.25Å; H184-P196 WeakPolarHBondContact O-CA 3.44Å
197D96.7Very high94.3Very high0 Ų056.4 Ų56.40%028%0.278CS..EExtended strand (participates in β ladder)trans-134.7156.5170.971.7-117.9000112Y91 K143 F144 K183 H184 I186 T199Y91-D197 HydrophobicContact CE2-CB 4.22Å; K143-D197 WeakPolarHBondContact CE-OD1 3.38Å; K143-D197 WeakPolarHBondContact CE-OD2 3.41Å; K143-D197 HydrophobicContact CG-CB 4.39Å; K143-D197 IonicContact NZ-OD1 2.7Å; K143-D197 PolarHBondContact NZ-OD1 3.43Å; K143-D197 IonicContact NZ-OD2 2.77Å; F144-D197 CarbonylContact O-C 3.49Å; F144-D197 WeakPolarHBondContact O-CA 3.4Å; F144-D197 WeakPolarHBondContact O-CB 3.17Å; K183-D197 CarbonylContact C-O 3.59Å; K183-D197 WeakPolarHBondContact CA-O 3.44Å; H184-D197 IonicContact CG-OD2 2.69Å; H184-D197 PolarHBondContact N-O 2.82Å; H184-D197 IonicContact ND1-OD2 2.76Å; H184-D197 PolarHBondContact ND1-OD2 2.96Å; H184-D197 VanDerWaalsContact ND1-OD2 3.1Å; H184-D197 PolarHBondContact O-N 3.31Å; I186-D197 VanDerWaalsContact CD1-OD1 3.28Å; I186-D197 WeakPolarHBondContact CD1-OD1 3.1Å; D197-T199 PolarHBondContact OD2-OG1 3.03Å
198I97.3Very high94Very high0 Ų051.8 Ų51.80%026%0.261CS..EExtended strand (participates in β ladder)trans-121.1115.8173.3-63174000107.3F31 F144 L156 L158 Y182 Y200F31-I198 HydrophobicContact CB-CD1 3.9Å; F31-I198 HydrophobicContact CD1-CB 4.33Å; F31-I198 HydrophobicContact CD1-CD1 3.74Å; F31-I198 HydrophobicContact CD1-CG2 4.3Å; F31-I198 HydrophobicContact CG-CD1 4.27Å; F144-I198 PolarHBondContact N-O 3.21Å; F144-I198 PolarHBondContact O-N 2.93Å; L156-I198 HydrophobicContact CB-CD1 3.72Å; L156-I198 HydrophobicContact CB-CG1 4.16Å; L156-I198 HydrophobicContact CD1-CD1 4.42Å; L156-I198 HydrophobicContact CD1-CG1 4.37Å; L158-I198 HydrophobicContact CD1-CD1 3.7Å; L158-I198 HydrophobicContact CD1-CG1 3.78Å; L158-I198 HydrophobicContact CD1-CG2 4.03Å; L158-I198 HydrophobicContact CD2-CG2 3.95Å; L158-I198 HydrophobicContact CG-CD1 3.96Å; L158-I198 HydrophobicContact CG-CG1 4.37Å; L158-I198 HydrophobicContact CG-CG2 3.97Å; Y182-I198 CarbonylContact O-C 3.58Å; Y182-I198 WeakPolarHBondContact O-CA 3.06Å; I198-Y200 HydrophobicContact CG2-CD2 4.13Å; I198-Y200 HydrophobicContact CG2-CE2 3.62Å
199T97.1Very high93.9Very high17 Ų1754.7 Ų54.710%0.10428%0.28CS..EExtended strand (participates in β ladder)trans-106.1119.9177.4-58.20000109.5M142 Y182 D197M142-T199 WeakPolarHBondContact O-CA 3.34Å; Y182-T199 PolarHBondContact N-O 2.85Å; Y182-T199 PolarHBondContact O-N 2.85Å; D197-T199 PolarHBondContact OD2-OG1 3.03Å
200Y97.2Very high93.7Very high1 Ų152.5 Ų52.50%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-95.2133.5168.7-69.7-80.1000109.6F31 V33 S141 M142 F144 L158 V163 P180 I198F31-Y200 HydrophobicContact CD1-CE2 4.24Å; F31-Y200 AromaticContact CE1-CE2 3.91Å; F31-Y200 HydrophobicContact CE1-CE2 3.91Å; V33-Y200 HydrophobicContact CB-CD2 4.37Å; V33-Y200 HydrophobicContact CB-CE2 3.89Å; V33-Y200 HydrophobicContact CG2-CD2 3.93Å; V33-Y200 HydrophobicContact CG2-CE2 3.34Å; S141-Y200 CarbonylContact C-O 3.51Å; S141-Y200 VanDerWaalsContact CA-O 3.3Å; S141-Y200 WeakPolarHBondContact CA-O 3.23Å; M142-Y200 PolarHBondContact N-O 3.04Å; M142-Y200 PolarHBondContact O-N 2.83Å; F144-Y200 HydrophobicContact CD2-CD2 4.08Å; F144-Y200 HydrophobicContact CE2-CD2 4.27Å; L158-Y200 HydrophobicContact CD2-CE1 4.4Å; V163-Y200 HydrophobicContact CG2-CD1 3.32Å; V163-Y200 HydrophobicContact CG2-CE1 3.86Å; V163-Y200 HydrophobicContact CG2-CG 3.83Å; P180-Y200 WeakPolarHBondContact O-CA 3.44Å; I198-Y200 HydrophobicContact CG2-CD2 4.13Å; I198-Y200 HydrophobicContact CG2-CE2 3.62Å
201S96.6Very high93.6Very high16 Ų1649.4 Ų49.411%0.11224%0.235CC..EExtended strand (participates in β ladder)trans-112.7111.9178.7-59.40000109.9A179 P180A179-S201 WeakPolarHBondContact CA-O 3.39Å; P180-S201 VanDerWaalsContact CD-O 3.28Å; P180-S201 WeakPolarHBondContact CD-O 3.46Å; P180-S201 PolarHBondContact O-N 2.82Å
202F95.9Very high93.4Very high3 Ų349.3 Ų49.31%0.01323%0.234CC..EExtended strand (participates in β ladder)trans-90.2110.4178.2-67.5-95.5000109.9I35 M48 N139 C140 M142 V163 A179 I204I35-F202 HydrophobicContact CD1-CE1 4.07Å; M48-F202 HydrophobicContact CE-CD2 4.06Å; M48-F202 HydrophobicContact CE-CG 4.47Å; N139-F202 WeakPolarHBondContact CA-O 3.49Å; C140-F202 PolarHBondContact N-O 3.29Å; C140-F202 PolarHBondContact O-N 2.97Å; M142-F202 HydrophobicContact CB-CE2 4.35Å; M142-F202 HydrophobicContact CG-CD2 4.2Å; M142-F202 HydrophobicContact CG-CE2 3.9Å; M142-F202 HydrophobicContact SD-CD2 4.24Å; M142-F202 HydrophobicContact SD-CE2 3.56Å; M142-F202 VanDerWaalsContact SD-CE2 3.56Å; M142-F202 HydrophobicContact SD-CZ 4.23Å; V163-F202 HydrophobicContact CG1-CE1 4.25Å; V163-F202 HydrophobicContact CG1-CZ 4.34Å; V163-F202 HydrophobicContact CG2-CE1 4.08Å; V163-F202 HydrophobicContact CG2-CE2 4.49Å; V163-F202 HydrophobicContact CG2-CZ 3.82Å; A179-F202 HydrophobicContact CB-CD1 3.99Å; A179-F202 HydrophobicContact CB-CE1 4.18Å; F202-I204 HydrophobicContact CB-CG2 4.28Å
203Y95.7Very high93.2Very high93 Ų9346 Ų4637%0.36522%0.221SC..EExtended strand (participates in β ladder)trans-90.1107.3170.6-64.8-87.1000108.6N139 I177 D178 P180N139-Y203 HydrophobicContact CB-CD1 4.09Å; N139-Y203 HydrophobicContact CB-CE1 4.03Å; N139-Y203 VanDerWaalsContact CG-CE1 3.42Å; N139-Y203 VanDerWaalsContact ND2-CE1 3.25Å; N139-Y203 WeakPolarHBondContact ND2-CE1 3.45Å; N139-Y203 PolarHBondContact ND2-OH 3.26Å; I177-Y203 PolarHBondContact N-O 2.92Å; D178-Y203 HydrophobicContact CB-CD2 4.27Å; D178-Y203 PolarHBondContact N-O 3.4Å; D178-Y203 PolarHBondContact O-N 2.7Å; P180-Y203 HydrophobicContact CG-CD2 4.42Å; P180-Y203 HydrophobicContact CG-CE2 3.95Å
204I94.6Very high92.7Very high1 Ų145.8 Ų45.81%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-118.4146.8-175.564.3177.8000111.4L38 V41 Y137 Q138 W174 E175 I176 F202L38-I204 HydrophobicContact CD2-CD1 4.39Å; L38-I204 HydrophobicContact CD2-CG2 4.43Å; V41-I204 HydrophobicContact CG2-CD1 3.85Å; Y137-I204 WeakPolarHBondContact CA-O 3.36Å; Q138-I204 HydrophobicContact CB-CD1 4.25Å; Q138-I204 HydrophobicContact CB-CG1 3.81Å; Q138-I204 PolarHBondContact N-O 3.35Å; Q138-I204 PolarHBondContact O-N 3.29Å; W174-I204 HydrophobicContact CD2-CD1 4.17Å; W174-I204 HydrophobicContact CE3-CB 4.07Å; W174-I204 HydrophobicContact CE3-CD1 3.66Å; W174-I204 HydrophobicContact CE3-CG1 3.75Å; W174-I204 HydrophobicContact CH2-CD1 4.49Å; W174-I204 HydrophobicContact CZ3-CD1 3.85Å; W174-I204 HydrophobicContact CZ3-CG1 3.83Å; E175-I204 CarbonylContact O-C 3.52Å; E175-I204 VanDerWaalsContact O-CA 3.26Å; E175-I204 WeakPolarHBondContact O-CA 3.48Å; I176-I204 HydrophobicContact CG1-CG2 4.09Å; F202-I204 HydrophobicContact CB-CG2 4.28Å
205R93.4Very high92.1Very high87 Ų8742.7 Ų42.733%0.32821%0.206SC..EExtended strand (participates in β ladder)trans-121.2136.9176.7167.1171.870.7-176.73.3110Y137 W174 E175 I177Y137-R205 HydrophobicContact CD1-CB 3.98Å; Y137-R205 HydrophobicContact CD1-CG 4.41Å; Y137-R205 HydrophobicContact CE1-CB 4.02Å; Y137-R205 HydrophobicContact CE1-CG 4.12Å; W174-R205 WeakPolarHBondContact CA-O 3.5Å; E175-R205 VanDerWaalsContact CD-NH2 3.33Å; E175-R205 PolarHBondContact N-O 3.03Å; E175-R205 PolarHBondContact O-N 2.97Å; E175-R205 IonicContact OE1-NH2 2.61Å; E175-R205 PolarHBondContact OE1-NH2 3.06Å; E175-R205 IonicContact OE2-CZ 2.85Å; E175-R205 IonicContact OE2-NE 2.67Å; E175-R205 PolarHBondContact OE2-NE 2.92Å; E175-R205 IonicContact OE2-NH2 3.86Å; E175-R205 PolarHBondContact OE2-NH2 2.78Å; I177-R205 HydrophobicContact CD1-CB 3.6Å; I177-R205 HydrophobicContact CG1-CB 4.2Å
206R92.2Very high91.5Very high3 Ų341.7 Ų41.71%0.01120%0.203CC..EExtended strand (participates in β ladder)trans-77.9143.5173.4-164.9-173.2-56.5-90.60.8111.2E43 D136 E173 W174 P208E43-R206 IonicContact OE1-CZ 3.75Å; E43-R206 IonicContact OE1-NH1 3.37Å; E43-R206 PolarHBondContact OE1-NH1 2.93Å; E43-R206 IonicContact OE1-NH2 3.32Å; E43-R206 PolarHBondContact OE1-NH2 3.38Å; D136-R206 PolarHBondContact O-N 2.94Å; D136-R206 IonicContact OD1-CZ 2.66Å; D136-R206 IonicContact OD1-NE 2.68Å; D136-R206 PolarHBondContact OD1-NE 2.81Å; D136-R206 IonicContact OD1-NH2 3.89Å; D136-R206 IonicContact OD2-CZ 3.05Å; D136-R206 IonicContact OD2-NE 3.39Å; D136-R206 PolarHBondContact OD2-NE 3.36Å; D136-R206 IonicContact OD2-NH2 2.91Å; D136-R206 PolarHBondContact OD2-NH2 3.16Å; E173-R206 IonicContact OE1-NH1 3.23Å; E173-R206 PolarHBondContact OE1-NH1 3.09Å; W174-R206 HydrophobicContact CE3-CB 4.15Å; W174-R206 HydrophobicContact CH2-CB 4.15Å; W174-R206 HydrophobicContact CZ2-CG 4.5Å; W174-R206 VanDerWaalsContact CZ2-NH1 3.31Å; W174-R206 VanDerWaalsContact CZ2-NH2 3.29Å; W174-R206 HydrophobicContact CZ3-CB 3.92Å; R206-P208 WeakPolarHBondContact O-CD 3.34Å
207L91.1Very high91Very high69 Ų6945.4 Ų45.436%0.36122%0.222SC..  trans-88.7107.4169.4-63.6176.7000109.6E173 L209E173-L207 PolarHBondContact O-N 3.37Å; L207-L209 VanDerWaalsContact C-N 3.3Å; L207-L209 PolarHBondContact O-N 3.47Å
208P89.7Confident90.5Very high25 Ų2546.6 Ų46.616%0.16223%0.23CC..THydrogen-bonded Turntrans-80.4-2.8-162.632.2-38.4000115P134 F135 R206 F210 Y211 T212P134-P208 HydrophobicContact CB-CB 4.37Å; P134-P208 HydrophobicContact CG-CB 4.1Å; F135-P208 HydrophobicContact CD1-CB 3.74Å; F135-P208 HydrophobicContact CD1-CG 3.77Å; F135-P208 HydrophobicContact CE1-CB 3.55Å; F135-P208 HydrophobicContact CE1-CG 3.56Å; F135-P208 HydrophobicContact CZ-CB 4.19Å; R206-P208 WeakPolarHBondContact O-CD 3.34Å; P208-F210 PolarHBondContact O-N 3.3Å; P208-Y211 PolarHBondContact O-N 3.05Å; P208-T212 WeakPolarHBondContact O-CB 3.24Å; P208-T212 PolarHBondContact O-N 2.77Å; P208-T212 PolarHBondContact O-OG1 2.82Å
209L88.4Confident89.7Confident129 Ų12947.1 Ų47.168%0.67523%0.234SC*.Hα-helixtrans-59-44.4-169.2-71.9171.2000113.1L207 T212 I213L207-L209 VanDerWaalsContact C-N 3.3Å; L207-L209 PolarHBondContact O-N 3.47Å; L209-T212 PolarHBondContact O-N 2.7Å; L209-I213 WeakPolarHBondContact O-CG1 3.45Å; L209-I213 PolarHBondContact O-N 2.91Å
210F88.8Confident89Confident133 Ų13349 Ų4958%0.58324%0.243SC*.Hα-helixtrans-60-50.5-179.7176.9-96000111.8P208 I213 N214P208-F210 PolarHBondContact O-N 3.3Å; F210-I213 PolarHBondContact O-N 3.05Å; F210-N214 VanDerWaalsContact CD2-ND2 3.29Å; F210-N214 WeakPolarHBondContact CD2-ND2 3.46Å; F210-N214 WeakPolarHBondContact CE2-ND2 3.46Å; F210-N214 WeakPolarHBondContact O-CB 3.4Å; F210-N214 PolarHBondContact O-N 3.39Å; F210-N214 PolarHBondContact O-ND2 2.84Å
211Y86.5Confident88.4Confident43 Ų4353.9 Ų53.917%0.16927%0.268CS..Hα-helixtrans-69.9-33.7179.2-60.3-79.7000112.3F133 P134 P208 L215 I216F133-Y211 AromaticContact CE1-CD1 4Å; F133-Y211 HydrophobicContact CE1-CD1 4Å; F133-Y211 HydrophobicContact CE1-CE1 4.4Å; F133-Y211 HydrophobicContact CE1-CG 4.37Å; F133-Y211 HydrophobicContact CE2-CE1 4.39Å; F133-Y211 AromaticContact CZ-CD1 3.58Å; F133-Y211 HydrophobicContact CZ-CD1 3.58Å; F133-Y211 HydrophobicContact CZ-CD2 4.5Å; F133-Y211 AromaticContact CZ-CE1 3.56Å; F133-Y211 HydrophobicContact CZ-CE1 3.56Å; F133-Y211 HydrophobicContact CZ-CE2 4.49Å; F133-Y211 HydrophobicContact CZ-CG 4.06Å; P134-Y211 HydrophobicContact CB-CD2 3.97Å; P134-Y211 HydrophobicContact CB-CG 3.95Å; P208-Y211 PolarHBondContact O-N 3.05Å; Y211-L215 WeakPolarHBondContact O-CA 3.35Å; Y211-L215 WeakPolarHBondContact O-CB 3.42Å; Y211-L215 PolarHBondContact O-N 2.71Å; Y211-I216 PolarHBondContact O-N 2.94Å; Y211-I216 VanDerWaalsContact O-N 3.13Å
212T85.6Confident87.8Confident40 Ų4053.9 Ų53.925%0.24527%0.267CS..Iπ-helixtrans-62.4-46.6175.6-57.20000111.1P208 L209 I216 I217P208-T212 WeakPolarHBondContact O-CB 3.24Å; P208-T212 PolarHBondContact O-N 2.77Å; P208-T212 PolarHBondContact O-OG1 2.82Å; L209-T212 PolarHBondContact O-N 2.7Å; T212-I216 WeakPolarHBondContact O-CB 3.5Å; T212-I216 PolarHBondContact O-N 3.42Å; T212-I217 WeakPolarHBondContact O-CG1 3.35Å; T212-I217 PolarHBondContact O-N 2.75Å
213I88.6Confident87.2Confident99 Ų9954.6 Ų54.651%0.50827%0.272SS..Iπ-helixtrans-73.8-43.2-178.7-65.2171000111.8L209 F210 P218L209-I213 WeakPolarHBondContact O-CG1 3.45Å; L209-I213 PolarHBondContact O-N 2.91Å; F210-I213 PolarHBondContact O-N 3.05Å; I213-P218 VanDerWaalsContact O-CD 3.3Å; I213-P218 WeakPolarHBondContact O-CD 3.37Å
214N84.6Confident86.6Confident87 Ų8756.6 Ų56.647%0.46528%0.283SS..Iπ-helixtrans-93-19.5-169.8-64.2-34.4000114.7F210F210-N214 VanDerWaalsContact CD2-ND2 3.29Å; F210-N214 WeakPolarHBondContact CD2-ND2 3.46Å; F210-N214 WeakPolarHBondContact CE2-ND2 3.46Å; F210-N214 WeakPolarHBondContact O-CB 3.4Å; F210-N214 PolarHBondContact O-N 3.39Å; F210-N214 PolarHBondContact O-ND2 2.84Å
215L82.8Confident86.2Confident16 Ų1659.8 Ų59.88%0.08430%0.3CS..Iπ-helixtrans-116.2-55.3-178.4-163.8167.2000110.9F133 Y211 C219 I257 I271F133-L215 HydrophobicContact CE1-CD1 4.49Å; Y211-L215 WeakPolarHBondContact O-CA 3.35Å; Y211-L215 WeakPolarHBondContact O-CB 3.42Å; Y211-L215 PolarHBondContact O-N 2.71Å; L215-C219 PolarHBondContact O-N 2.84Å; L215-C219 PolarHBondContact O-SG 3.36Å; L215-I257 HydrophobicContact CD1-CD1 4.44Å; L215-I257 HydrophobicContact CD1-CG1 4.01Å; L215-I257 HydrophobicContact CD2-CD1 3.88Å; L215-I257 HydrophobicContact CD2-CG1 4.36Å; L215-I257 HydrophobicContact CG-CD1 3.93Å; L215-I257 HydrophobicContact CG-CG1 3.96Å; L215-I271 HydrophobicContact CD2-CD1 3.75Å; L215-I271 HydrophobicContact CD2-CG1 3.72Å
216I82.8Confident85.7Confident12 Ų1255.9 Ų55.96%0.06229%0.285CS..Iπ-helixtrans-69.2-50.4-172.9-60.9177.1000111.9P134 F135 Y211 T212 C219 L220 I271 F559P134-I216 HydrophobicContact CG-CD1 4.27Å; F135-I216 HydrophobicContact CE2-CD1 4.18Å; Y211-I216 PolarHBondContact O-N 2.94Å; Y211-I216 VanDerWaalsContact O-N 3.13Å; T212-I216 WeakPolarHBondContact O-CB 3.5Å; T212-I216 PolarHBondContact O-N 3.42Å; I216-C219 PolarHBondContact O-N 2.65Å; I216-L220 HydrophobicContact CG2-CD1 3.85Å; I216-L220 HydrophobicContact CG2-CG 4.38Å; I216-L220 WeakPolarHBondContact O-CG 3.31Å; I216-L220 PolarHBondContact O-N 3.35Å; I216-I271 HydrophobicContact CG1-CD1 4.47Å; I216-F559 HydrophobicContact CD1-CE1 4.44Å; I216-F559 HydrophobicContact CG2-CE1 3.91Å; I216-F559 HydrophobicContact CG2-CZ 3.82Å
217I85.1Confident85.4Confident79 Ų7956.5 Ų56.541%0.40529%0.29SS..Hα-helixtrans-60-48.1-178.1-70176.9000112.5T212 C219 L220 L221T212-I217 WeakPolarHBondContact O-CG1 3.35Å; T212-I217 PolarHBondContact O-N 2.75Å; I217-C219 VanDerWaalsContact C-N 3.34Å; I217-C219 PolarHBondContact O-N 2.87Å; I217-L220 PolarHBondContact O-N 3.03Å; I217-L221 HydrophobicContact CG2-CD1 3.88Å; I217-L221 HydrophobicContact CG2-CG 4.33Å; I217-L221 WeakPolarHBondContact O-CG 3.17Å; I217-L221 PolarHBondContact O-N 3.36Å
218P86Confident85.2Confident26 Ų2656.6 Ų56.617%0.16929%0.29CS..Hα-helixtrans-59.7-39.6176.3-28.237.2000113.7I213 L221 I222 F253I213-P218 VanDerWaalsContact O-CD 3.3Å; I213-P218 WeakPolarHBondContact O-CD 3.37Å; P218-L221 PolarHBondContact O-N 2.89Å; P218-I222 VanDerWaalsContact O-CG1 3.29Å; P218-I222 WeakPolarHBondContact O-CG1 3.26Å; P218-I222 PolarHBondContact O-N 3.39Å; P218-F253 HydrophobicContact CB-CD1 4.32Å; P218-F253 HydrophobicContact CB-CE1 3.58Å; P218-F253 HydrophobicContact CB-CE2 4.42Å; P218-F253 HydrophobicContact CB-CZ 3.65Å; P218-F253 HydrophobicContact CG-CE1 4.16Å; P218-F253 HydrophobicContact CG-CZ 4.38Å
219C80.6Confident85Confident11 Ų1155.6 Ų55.67%0.07428%0.283CS..Hα-helixtrans-65.6-41177.7-65.10000112L215 I216 I217 I222 S223 Y274L215-C219 PolarHBondContact O-N 2.84Å; L215-C219 PolarHBondContact O-SG 3.36Å; I216-C219 PolarHBondContact O-N 2.65Å; I217-C219 VanDerWaalsContact C-N 3.34Å; I217-C219 PolarHBondContact O-N 2.87Å; C219-I222 PolarHBondContact O-N 2.99Å; C219-S223 PolarHBondContact O-N 2.81Å; C219-Y274 HydrophobicContact CB-CE1 4.06Å
220L82.9Confident84.9Confident57 Ų5749.5 Ų49.530%0.29825%0.251SS..Hα-helixtrans-61.7-45.1172.9-71.9169.2000111.5I216 I217 I222 S223 F224 T555 F559I216-L220 HydrophobicContact CG2-CD1 3.85Å; I216-L220 HydrophobicContact CG2-CG 4.38Å; I216-L220 WeakPolarHBondContact O-CG 3.31Å; I216-L220 PolarHBondContact O-N 3.35Å; I217-L220 PolarHBondContact O-N 3.03Å; L220-I222 PolarHBondContact O-N 3.41Å; L220-S223 PolarHBondContact O-N 3.2Å; L220-S223 PolarHBondContact O-OG 2.89Å; L220-F224 PolarHBondContact O-N 3.04Å; L220-T555 HydrophobicContact CD2-CG2 3.85Å; L220-F559 HydrophobicContact CD2-CE2 4.19Å
221L85.4Confident84.8Confident103 Ų10349.8 Ų49.854%0.53925%0.25SC..Hα-helixtrans-61.5-43177.2-71171.4000112.2I217 P218 S223 F224 L225I217-L221 HydrophobicContact CG2-CD1 3.88Å; I217-L221 HydrophobicContact CG2-CG 4.33Å; I217-L221 WeakPolarHBondContact O-CG 3.17Å; I217-L221 PolarHBondContact O-N 3.36Å; P218-L221 PolarHBondContact O-N 2.89Å; L221-S223 VanDerWaalsContact C-N 3.35Å; L221-S223 PolarHBondContact O-N 3.34Å; L221-F224 PolarHBondContact O-N 2.82Å; L221-L225 WeakPolarHBondContact O-CG 3.45Å; L221-L225 PolarHBondContact O-N 2.91Å
222I83.8Confident84.7Confident15 Ų1550.4 Ų50.48%0.07726%0.256CS..Hα-helixtrans-63.2-41.8175.6-68.8164.1000110.7P218 C219 L220 F224 L225 T226 L250 F253P218-I222 VanDerWaalsContact O-CG1 3.29Å; P218-I222 WeakPolarHBondContact O-CG1 3.26Å; P218-I222 PolarHBondContact O-N 3.39Å; C219-I222 PolarHBondContact O-N 2.99Å; L220-I222 PolarHBondContact O-N 3.41Å; I222-F224 PolarHBondContact O-N 3.34Å; I222-L225 PolarHBondContact O-N 3.43Å; I222-T226 WeakPolarHBondContact O-CG2 3.36Å; I222-T226 PolarHBondContact O-N 3Å; I222-T226 VanDerWaalsContact O-N 3.11Å; I222-L250 HydrophobicContact CG2-CB 4.41Å; I222-L250 HydrophobicContact CG2-CD1 4.5Å; I222-F253 HydrophobicContact CD1-CD2 3.33Å; I222-F253 HydrophobicContact CD1-CE2 3.67Å; I222-F253 HydrophobicContact CD1-CG 4.06Å
223S81.9Confident84.7Confident19 Ų1951 Ų5113%0.13326%0.26CS..Hα-helixtrans-62.8-29.5175.8820000113.2C219 L220 L221 T226C219-S223 PolarHBondContact O-N 2.81Å; L220-S223 PolarHBondContact O-N 3.2Å; L220-S223 PolarHBondContact O-OG 2.89Å; L221-S223 VanDerWaalsContact C-N 3.35Å; L221-S223 PolarHBondContact O-N 3.34Å; S223-T226 PolarHBondContact O-OG1 2.96Å
224F84.3Confident84.3Confident134 Ų13446.2 Ų46.259%0.58824%0.236SC*.Hα-helixtrans-76.3-39.4172.9-179.3-101000112.4L220 L221 I222 T226 V227 L228L220-F224 PolarHBondContact O-N 3.04Å; L221-F224 PolarHBondContact O-N 2.82Å; I222-F224 PolarHBondContact O-N 3.34Å; F224-T226 VanDerWaalsContact C-N 3.29Å; F224-T226 PolarHBondContact O-N 3.49Å; F224-V227 PolarHBondContact O-N 2.98Å; F224-L228 PolarHBondContact O-N 3.49Å; F224-L228 VanDerWaalsContact O-N 3.11Å
225L85.8Confident84.1Confident69 Ų6946.7 Ų46.736%0.36124%0.238SC..Hα-helixtrans-62.2-34.2177.2-71.5174.4000112.6L221 I222 V227 L228 V229 V246L221-L225 WeakPolarHBondContact O-CG 3.45Å; L221-L225 PolarHBondContact O-N 2.91Å; I222-L225 PolarHBondContact O-N 3.43Å; L225-V227 VanDerWaalsContact C-N 3.35Å; L225-V227 PolarHBondContact O-N 3.48Å; L225-L228 HydrophobicContact CD2-CD2 4.27Å; L225-L228 WeakPolarHBondContact O-CB 3.31Å; L225-L228 PolarHBondContact O-N 3.34Å; L225-V229 PolarHBondContact O-N 2.91Å; L225-V246 HydrophobicContact CB-CG2 4.13Å
226T82.4Confident83.9Confident4 Ų449.7 Ų49.73%0.02526%0.26CS..Hα-helixtrans-66.4-37.4178.567.40000111.9I222 S223 F224 V229 V246 V282I222-T226 WeakPolarHBondContact O-CG2 3.36Å; I222-T226 PolarHBondContact O-N 3Å; I222-T226 VanDerWaalsContact O-N 3.11Å; S223-T226 PolarHBondContact O-OG1 2.96Å; F224-T226 VanDerWaalsContact C-N 3.29Å; F224-T226 PolarHBondContact O-N 3.49Å; T226-V229 WeakPolarHBondContact O-CB 3.3Å; T226-V229 PolarHBondContact O-N 2.79Å; T226-V246 HydrophobicContact CG2-CG1 3.47Å; T226-V246 VanDerWaalsContact CG2-CG1 3.47Å; T226-V282 HydrophobicContact CG2-CB 4.29Å; T226-V282 HydrophobicContact CG2-CG1 4.15Å; T226-V282 HydrophobicContact CG2-CG2 3.35Å
227V86.3Confident83.7Confident16 Ų1651 Ų5110%0.09728%0.276CS..Hα-helixtrans-66.8-39.7173.2174.40000111.2F224 L225 V229 F230 L544 F547 V548F224-V227 PolarHBondContact O-N 2.98Å; L225-V227 VanDerWaalsContact C-N 3.35Å; L225-V227 PolarHBondContact O-N 3.48Å; V227-V229 PolarHBondContact O-N 3.05Å; V227-F230 PolarHBondContact O-N 3Å; V227-F230 VanDerWaalsContact O-N 3.1Å; V227-L544 HydrophobicContact CG1-CG 4.49Å; V227-F547 HydrophobicContact CG2-CB 4.47Å; V227-V548 HydrophobicContact CG1-CG2 3.45Å; V227-V548 VanDerWaalsContact CG1-CG2 3.45Å
228L86.3Confident83.6Confident72 Ų7252.8 Ų52.838%0.37728%0.283SS..Hα-helixtrans-61.2-28.6179.9-170.365.7000112.6F224 L225 F230 Y231 L232F224-L228 PolarHBondContact O-N 3.49Å; F224-L228 VanDerWaalsContact O-N 3.11Å; L225-L228 HydrophobicContact CD2-CD2 4.27Å; L225-L228 WeakPolarHBondContact O-CB 3.31Å; L225-L228 PolarHBondContact O-N 3.34Å; L228-F230 VanDerWaalsContact C-N 3.26Å; L228-F230 PolarHBondContact O-N 2.94Å; L228-Y231 WeakPolarHBondContact O-CB 3.43Å; L228-Y231 PolarHBondContact O-N 3.42Å; L228-L232 PolarHBondContact O-N 3.49Å
229V86.7Confident83.5Confident3 Ų351.6 Ų51.62%0.01828%0.275CS..Hα-helixtrans-56.6-38.1174.2179.20000112.3L225 T226 V227 Y231 L232 K239 L242 C243 T289L225-V229 PolarHBondContact O-N 2.91Å; T226-V229 WeakPolarHBondContact O-CB 3.3Å; T226-V229 PolarHBondContact O-N 2.79Å; V227-V229 PolarHBondContact O-N 3.05Å; V229-Y231 VanDerWaalsContact C-N 3.27Å; V229-Y231 PolarHBondContact O-N 2.9Å; V229-L232 PolarHBondContact O-N 3.39Å; V229-K239 HydrophobicContact CG1-CG 4.19Å; V229-K239 VanDerWaalsContact O-CE 3.31Å; V229-K239 WeakPolarHBondContact O-CE 3.29Å; V229-L242 HydrophobicContact CB-CD2 4.48Å; V229-L242 HydrophobicContact CG2-CD2 3.78Å; V229-L242 HydrophobicContact CG2-CG 3.9Å; V229-C243 WeakPolarHBondContact CG1-SG 3.4Å; V229-T289 HydrophobicContact CG1-CG2 3.53Å
230F86.6Confident83.6Confident1 Ų154.3 Ų54.30%0.00429%0.291CS..THydrogen-bonded Turntrans-76.2-13177.6-63.4-63000113.6V227 L228 I288 T289 F543 L544 F547V227-F230 PolarHBondContact O-N 3Å; V227-F230 VanDerWaalsContact O-N 3.1Å; L228-F230 VanDerWaalsContact C-N 3.26Å; L228-F230 PolarHBondContact O-N 2.94Å; F230-I288 HydrophobicContact CE1-CB 4.23Å; F230-I288 HydrophobicContact CE1-CG2 3.74Å; F230-I288 HydrophobicContact CZ-CB 4.28Å; F230-I288 HydrophobicContact CZ-CG2 4.14Å; F230-T289 HydrophobicContact CD1-CG2 4.01Å; F230-T289 HydrophobicContact CE1-CG2 3.52Å; F230-T289 HydrophobicContact CZ-CG2 4.08Å; F230-F543 HydrophobicContact CD1-CB 4.36Å; F230-F543 HydrophobicContact CE1-CB 4.24Å; F230-F543 HydrophobicContact CZ-CB 4.47Å; F230-L544 HydrophobicContact CB-CB 3.83Å; F230-L544 HydrophobicContact CB-CD1 4.29Å; F230-L544 HydrophobicContact CB-CG 4.39Å; F230-F547 HydrophobicContact CD2-CG 4.45Å; F230-F547 HydrophobicContact CE2-CB 4.4Å; F230-F547 AromaticContact CE2-CD1 3.91Å; F230-F547 HydrophobicContact CE2-CD1 3.91Å; F230-F547 HydrophobicContact CE2-CD2 4.02Å; F230-F547 HydrophobicContact CE2-CE1 4.19Å; F230-F547 HydrophobicContact CE2-CE2 4.27Å; F230-F547 AromaticContact CE2-CG 3.83Å; F230-F547 HydrophobicContact CE2-CG 3.83Å; F230-F547 HydrophobicContact CE2-CZ 4.36Å; F230-F547 HydrophobicContact CZ-CD2 4.45Å; F230-F547 HydrophobicContact CZ-CE2 4.32Å; F230-F547 HydrophobicContact CZ-CZ 4.4Å
231Y85.8Confident83.7Confident140 Ų14055.1 Ų55.155%0.54930%0.298SS..THydrogen-bonded Turntrans-83.1-29.8174.5-169.4-87.4000111.9L228 V229 R541 L544L228-Y231 WeakPolarHBondContact O-CB 3.43Å; L228-Y231 PolarHBondContact O-N 3.42Å; V229-Y231 VanDerWaalsContact C-N 3.27Å; V229-Y231 PolarHBondContact O-N 2.9Å; Y231-R541 PolarHBondContact O-NH2 3.06Å; Y231-L544 HydrophobicContact CD2-CD1 3.97Å; Y231-L544 HydrophobicContact CG-CD1 4.4Å
232L85.4Confident83.7Confident55 Ų5552.6 Ų52.629%0.28829%0.285SS..SBendtrans-73.9126.3-175.4-168.175.5000111.5L228 V229 K239L228-L232 PolarHBondContact O-N 3.49Å; V229-L232 PolarHBondContact O-N 3.39Å; L232-K239 HydrophobicContact CD2-CB 4.13Å
233P84.1Confident83.6Confident52 Ų5252.4 Ų52.434%0.33829%0.285SS..  trans-66.8138176.228.9-34.5000111.1D235 C236P233-D235 PolarHBondContact O-N 3.02Å; P233-C236 PolarHBondContact O-N 3.39Å
234S80.9Confident83.8Confident0 Ų055.8 Ų55.80%030%0.3CS..G310 helixtrans-67.2-16.4178.743.50000114.1C236 G237 H296S234-C236 PolarHBondContact O-N 3.04Å; S234-G237 PolarHBondContact O-N 3.28Å; S234-H296 PolarHBondContact OG-CD2 3.22Å; S234-H296 PolarHBondContact OG-CE1 2.95Å; S234-H296 PolarHBondContact OG-ND1 2.8Å; S234-H296 PolarHBondContact OG-NE2 3.28Å; S234-H296 VanDerWaalsContact OG-NE2 3.12Å
235D79.3Confident84Confident97 Ų9752.9 Ų52.952%0.51930%0.297SS..G310 helixtrans-62.5-21.9176.2-56.9-44.6000113P233 H296P233-D235 PolarHBondContact O-N 3.02Å; D235-H296 IonicContact OD1-CE1 2.69Å; D235-H296 PolarHBondContact OD1-CE1 2.95Å; D235-H296 VanDerWaalsContact OD1-CE1 3.27Å; D235-H296 IonicContact OD1-NE2 2.7Å; D235-H296 PolarHBondContact OD1-NE2 3.03Å
236C79.6Confident83.9Confident79 Ų7950 Ų5053%0.53428%0.282SS..G310 helixtrans-80.2-8.8-178.3-67.20000114.9P233 S234 E238P233-C236 PolarHBondContact O-N 3.39Å; S234-C236 PolarHBondContact O-N 3.04Å; C236-E238 PolarHBondContact O-N 3.42Å
237G78.8Confident83.9Confident39 Ų3953 Ų5340%0.40230%0.298SS..SBendtrans72-39.2-178.600000115.6S234 K239S234-G237 PolarHBondContact O-N 3.28Å; G237-K239 PolarHBondContact O-N 2.92Å
238E82.4Confident84Confident117 Ų11757.4 Ų57.455%0.54732%0.32SS..THydrogen-bonded Turntrans-66.1-5.5-176.4-65-56.1154.600115.4C236 V240 T241 L242C236-E238 PolarHBondContact O-N 3.42Å; E238-V240 PolarHBondContact O-N 2.97Å; E238-T241 WeakPolarHBondContact O-CB 3.34Å; E238-T241 PolarHBondContact O-N 3.13Å; E238-T241 VanDerWaalsContact O-N 3.16Å; E238-T241 VanDerWaalsContact OE2-CB 3.27Å; E238-T241 WeakPolarHBondContact OE2-CB 3.36Å; E238-T241 PolarHBondContact OE2-OG1 2.89Å; E238-L242 PolarHBondContact O-N 3.33Å
239K83.9Confident83.9Confident1 Ų156 Ų560%0.00432%0.317CS..Hα-helixtrans-58-35.1177.5-167.5176.7-177.2-172.60112.3V229 L232 G237 C243 L293 D540V229-K239 HydrophobicContact CG1-CG 4.19Å; V229-K239 VanDerWaalsContact O-CE 3.31Å; V229-K239 WeakPolarHBondContact O-CE 3.29Å; L232-K239 HydrophobicContact CD2-CB 4.13Å; G237-K239 PolarHBondContact O-N 2.92Å; K239-C243 PolarHBondContact O-N 3.39Å; K239-C243 PolarHBondContact O-SG 2.95Å; K239-L293 HydrophobicContact CD-CD2 4.32Å; K239-D540 IonicContact NZ-OD1 3.15Å; K239-D540 PolarHBondContact NZ-OD1 3.21Å; K239-D540 IonicContact NZ-OD2 3.27Å; K239-D540 PolarHBondContact NZ-OD2 2.93Å
240V82Confident83.6Confident68 Ų6856.9 Ų56.941%0.41232%0.321SS..Hα-helixtrans-71.6-44.2176.2178.50000111.2E238 L242 C243 I244 L293E238-V240 PolarHBondContact O-N 2.97Å; V240-L242 VanDerWaalsContact C-N 3.31Å; V240-L242 PolarHBondContact O-N 3.47Å; V240-C243 WeakPolarHBondContact O-CB 3.36Å; V240-C243 PolarHBondContact O-N 3.27Å; V240-C243 VanDerWaalsContact O-N 3.16Å; V240-I244 HydrophobicContact CG1-CD1 3.79Å; V240-I244 HydrophobicContact CG1-CG1 4.4Å; V240-I244 WeakPolarHBondContact O-CG1 3.31Å; V240-I244 PolarHBondContact O-N 3.41Å; V240-L293 HydrophobicContact CG2-CD1 3.46Å; V240-L293 VanDerWaalsContact CG2-CD1 3.46Å
241T86.4Confident83.3Confident73 Ų7360.6 Ų60.645%0.44834%0.344SS..Hα-helixtrans-54.6-49.1177.2-41.90000110.6E238 C243 I244 S245E238-T241 WeakPolarHBondContact O-CB 3.34Å; E238-T241 PolarHBondContact O-N 3.13Å; E238-T241 VanDerWaalsContact O-N 3.16Å; E238-T241 VanDerWaalsContact OE2-CB 3.27Å; E238-T241 WeakPolarHBondContact OE2-CB 3.36Å; E238-T241 PolarHBondContact OE2-OG1 2.89Å; T241-C243 PolarHBondContact O-N 2.91Å; T241-I244 PolarHBondContact O-N 3.1Å; T241-S245 PolarHBondContact O-N 2.9Å; T241-S245 PolarHBondContact O-OG 3.31Å
242L85.2Confident83.4Confident50 Ų5058.3 Ų58.326%0.26234%0.344SS..Hα-helixtrans-61-42.4178-173.264.4000112.5V229 E238 V240 I244 V246V229-L242 HydrophobicContact CB-CD2 4.48Å; V229-L242 HydrophobicContact CG2-CD2 3.78Å; V229-L242 HydrophobicContact CG2-CG 3.9Å; E238-L242 PolarHBondContact O-N 3.33Å; V240-L242 VanDerWaalsContact C-N 3.31Å; V240-L242 PolarHBondContact O-N 3.47Å; L242-I244 VanDerWaalsContact C-N 3.35Å; L242-I244 PolarHBondContact O-N 3.49Å; L242-V246 WeakPolarHBondContact O-CB 3.46Å; L242-V246 VanDerWaalsContact O-CG2 3.28Å; L242-V246 WeakPolarHBondContact O-CG2 3.5Å; L242-V246 PolarHBondContact O-N 2.97Å; L242-V246 VanDerWaalsContact O-N 3.07Å
243C81.6Confident83.1Confident11 Ų1159 Ų597%0.07435%0.345CS..Hα-helixtrans-58.8-45.1175.3-66.60000112.1V229 K239 V240 T241 L247 T289V229-C243 WeakPolarHBondContact CG1-SG 3.4Å; K239-C243 PolarHBondContact O-N 3.39Å; K239-C243 PolarHBondContact O-SG 2.95Å; V240-C243 WeakPolarHBondContact O-CB 3.36Å; V240-C243 PolarHBondContact O-N 3.27Å; V240-C243 VanDerWaalsContact O-N 3.16Å; T241-C243 PolarHBondContact O-N 2.91Å; C243-L247 PolarHBondContact O-N 3.41Å; C243-T289 PolarHBondContact SG-OG1 3.44Å; C243-T289 VanDerWaalsContact SG-OG1 3.35Å
244I85.4Confident82.6Confident90 Ų9058.8 Ų58.846%0.46234%0.341SS..Hα-helixtrans-67.9-46.5-177.6-67.8171.6000110.3V240 T241 L242 V246 L247 L248V240-I244 HydrophobicContact CG1-CD1 3.79Å; V240-I244 HydrophobicContact CG1-CG1 4.4Å; V240-I244 WeakPolarHBondContact O-CG1 3.31Å; V240-I244 PolarHBondContact O-N 3.41Å; T241-I244 PolarHBondContact O-N 3.1Å; L242-I244 VanDerWaalsContact C-N 3.35Å; L242-I244 PolarHBondContact O-N 3.49Å; I244-V246 VanDerWaalsContact C-N 3.31Å; I244-V246 PolarHBondContact O-N 2.88Å; I244-L247 PolarHBondContact O-N 2.93Å; I244-L248 HydrophobicContact CG2-CD1 3.63Å; I244-L248 WeakPolarHBondContact O-CD1 3.24Å; I244-L248 PolarHBondContact O-N 3.24Å
245S88.1Confident82.7Confident74 Ų7463.3 Ų63.352%0.51736%0.364SS..Hα-helixtrans-59.5-40177.2-62.20000112.7T241 S249T241-S245 PolarHBondContact O-N 2.9Å; T241-S245 PolarHBondContact O-OG 3.31Å; S245-S249 WeakPolarHBondContact O-CB 3.15Å; S245-S249 PolarHBondContact O-N 3.48Å
246V84.6Confident82.9Confident9 Ų962.1 Ų62.16%0.05536%0.361CS..Hα-helixtrans-64.8-42.7175.5166.30000111.6L225 T226 L242 I244 S249 L250 V282L225-V246 HydrophobicContact CB-CG2 4.13Å; T226-V246 HydrophobicContact CG2-CG1 3.47Å; T226-V246 VanDerWaalsContact CG2-CG1 3.47Å; L242-V246 WeakPolarHBondContact O-CB 3.46Å; L242-V246 VanDerWaalsContact O-CG2 3.28Å; L242-V246 WeakPolarHBondContact O-CG2 3.5Å; L242-V246 PolarHBondContact O-N 2.97Å; L242-V246 VanDerWaalsContact O-N 3.07Å; I244-V246 VanDerWaalsContact C-N 3.31Å; I244-V246 PolarHBondContact O-N 2.88Å; V246-S249 PolarHBondContact O-N 2.84Å; V246-L250 WeakPolarHBondContact O-CB 3.4Å; V246-L250 PolarHBondContact O-N 3.24Å; V246-V282 HydrophobicContact CG1-CG1 4.26Å
247L81.8Confident82.6Confident67 Ų6758.7 Ų58.735%0.35134%0.337SS..Hα-helixtrans-63.1-46.7177.6178.660.7000112.6C243 I244 T251 I286C243-L247 PolarHBondContact O-N 3.41Å; I244-L247 PolarHBondContact O-N 2.93Å; L247-T251 PolarHBondContact O-N 3.11Å; L247-T251 VanDerWaalsContact O-N 3.07Å; L247-T251 PolarHBondContact O-OG1 3.04Å; L247-I286 HydrophobicContact CB-CD1 3.84Å; L247-I286 HydrophobicContact CD1-CD1 3.82Å; L247-I286 HydrophobicContact CD2-CD1 4.26Å; L247-I286 HydrophobicContact CG-CD1 4.17Å
248L87.9Confident82.2Confident108 Ų10861.1 Ų61.157%0.56534%0.344SS*.Hα-helixtrans-62.9-45.2177.2-86.983.8000111I244 L250 T251 V252I244-L248 HydrophobicContact CG2-CD1 3.63Å; I244-L248 WeakPolarHBondContact O-CD1 3.24Å; I244-L248 PolarHBondContact O-N 3.24Å; L248-L250 PolarHBondContact O-N 3.36Å; L248-T251 PolarHBondContact O-N 3.21Å; L248-V252 WeakPolarHBondContact O-CG2 2.87Å; L248-V252 PolarHBondContact O-N 3.18Å
249S85.9Confident82Confident43 Ų4362.3 Ų62.330%0.30135%0.35SS..Hα-helixtrans-56.8-51.8178-174.90000111.4S245 V246 T251 V252 F253S245-S249 WeakPolarHBondContact O-CB 3.15Å; S245-S249 PolarHBondContact O-N 3.48Å; V246-S249 PolarHBondContact O-N 2.84Å; S249-T251 VanDerWaalsContact C-N 3.27Å; S249-T251 PolarHBondContact O-N 2.97Å; S249-V252 PolarHBondContact O-N 3.23Å; S249-F253 VanDerWaalsContact O-CD2 3.32Å; S249-F253 WeakPolarHBondContact O-CD2 3.26Å; S249-F253 PolarHBondContact O-N 3.21Å
250L78.9Confident81.6Confident21 Ų2165.7 Ų65.711%0.1137%0.37CS..Hα-helixtrans-58.3-38.7177.7-178.5144.5000112.5I222 V246 L248 F253 L254 M279 V282I222-L250 HydrophobicContact CG2-CB 4.41Å; I222-L250 HydrophobicContact CG2-CD1 4.5Å; V246-L250 WeakPolarHBondContact O-CB 3.4Å; V246-L250 PolarHBondContact O-N 3.24Å; L248-L250 PolarHBondContact O-N 3.36Å; L250-F253 PolarHBondContact O-N 3.15Å; L250-L254 VanDerWaalsContact O-CB 3.3Å; L250-L254 WeakPolarHBondContact O-CB 3.21Å; L250-L254 PolarHBondContact O-N 3.45Å; L250-M279 HydrophobicContact CD2-CG 4.3Å; L250-V282 HydrophobicContact CD1-CB 3.76Å; L250-V282 HydrophobicContact CD1-CG1 4.05Å; L250-V282 HydrophobicContact CD1-CG2 3.45Å; L250-V282 VanDerWaalsContact CD1-CG2 3.45Å
251T81.4Confident81.3Confident79 Ų7964 Ų6449%0.48536%0.358SS..Hα-helixtrans-66.3-39.1-179.9-53.30000111.7L247 L248 S249 L255L247-T251 PolarHBondContact O-N 3.11Å; L247-T251 VanDerWaalsContact O-N 3.07Å; L247-T251 PolarHBondContact O-OG1 3.04Å; L248-T251 PolarHBondContact O-N 3.21Å; S249-T251 VanDerWaalsContact C-N 3.27Å; S249-T251 PolarHBondContact O-N 2.97Å; T251-L255 PolarHBondContact O-N 3.37Å; T251-L255 VanDerWaalsContact O-N 3.15Å
252V87.6Confident80.4Confident92 Ų9261.2 Ų61.256%0.55834%0.342SS*.Hα-helixtrans-69.2-44.5175.5173.80000111.4L248 S249 L254 L255 V256L248-V252 WeakPolarHBondContact O-CG2 2.87Å; L248-V252 PolarHBondContact O-N 3.18Å; S249-V252 PolarHBondContact O-N 3.23Å; V252-L254 PolarHBondContact O-N 3.1Å; V252-L255 PolarHBondContact O-N 3.17Å; V252-V256 WeakPolarHBondContact O-CG2 3.36Å; V252-V256 PolarHBondContact O-N 3.41Å; V252-V256 VanDerWaalsContact O-N 3.15Å
253F80.1Confident79.2Confident68 Ų6864.9 Ų64.930%0.29837%0.372SS..Hα-helixtrans-63.7-39.6176.5-84-75.2000112.3P218 I222 S249 L250 L255 V256 I257P218-F253 HydrophobicContact CB-CD1 4.32Å; P218-F253 HydrophobicContact CB-CE1 3.58Å; P218-F253 HydrophobicContact CB-CE2 4.42Å; P218-F253 HydrophobicContact CB-CZ 3.65Å; P218-F253 HydrophobicContact CG-CE1 4.16Å; P218-F253 HydrophobicContact CG-CZ 4.38Å; I222-F253 HydrophobicContact CD1-CD2 3.33Å; I222-F253 HydrophobicContact CD1-CE2 3.67Å; I222-F253 HydrophobicContact CD1-CG 4.06Å; S249-F253 VanDerWaalsContact O-CD2 3.32Å; S249-F253 WeakPolarHBondContact O-CD2 3.26Å; S249-F253 PolarHBondContact O-N 3.21Å; L250-F253 PolarHBondContact O-N 3.15Å; F253-L255 VanDerWaalsContact C-N 3.34Å; F253-L255 PolarHBondContact O-N 2.81Å; F253-V256 PolarHBondContact O-N 2.81Å; F253-I257 WeakPolarHBondContact O-CD1 3.36Å; F253-I257 VanDerWaalsContact O-CG1 3.23Å; F253-I257 WeakPolarHBondContact O-CG1 3.47Å; F253-I257 PolarHBondContact O-N 3.28Å; F253-I257 VanDerWaalsContact O-N 3.13Å
254L73.4Confident78.3Confident48 Ų4866.6 Ų66.625%0.25138%0.382SS..Hα-helixtrans-60.5-43.3174.7-17862.7000111.6L250 V252 I257 T258 M279L250-L254 VanDerWaalsContact O-CB 3.3Å; L250-L254 WeakPolarHBondContact O-CB 3.21Å; L250-L254 PolarHBondContact O-N 3.45Å; V252-L254 PolarHBondContact O-N 3.1Å; L254-I257 PolarHBondContact O-N 3.3Å; L254-T258 HydrophobicContact CD1-CG2 4.47Å; L254-T258 WeakPolarHBondContact O-CG2 3.3Å; L254-T258 PolarHBondContact O-N 3.13Å; L254-T258 PolarHBondContact O-OG1 2.86Å; L254-M279 HydrophobicContact CD2-CE 4.03Å; L254-M279 HydrophobicContact CD2-SD 3.68Å
255L81.8Confident77.1Confident95 Ų9568.2 Ų68.250%0.49740%0.401SS..Hα-helixtrans-58.9-51.2177.6179.363000111.7T251 V252 F253 I257 T258 E259T251-L255 PolarHBondContact O-N 3.37Å; T251-L255 VanDerWaalsContact O-N 3.15Å; V252-L255 PolarHBondContact O-N 3.17Å; F253-L255 VanDerWaalsContact C-N 3.34Å; F253-L255 PolarHBondContact O-N 2.81Å; L255-I257 PolarHBondContact O-N 3.39Å; L255-T258 WeakPolarHBondContact CA-OG1 3.47Å; L255-T258 PolarHBondContact O-N 3.21Å; L255-T258 VanDerWaalsContact O-N 3.11Å; L255-T258 PolarHBondContact O-OG1 2.87Å; L255-E259 PolarHBondContact O-N 3.12Å
256V83.2Confident76Confident73 Ų7372 Ų7244%0.44242%0.415SS..Hα-helixtrans-56-36.7177.4172.30000111.6V252 F253 E259 T260V252-V256 WeakPolarHBondContact O-CG2 3.36Å; V252-V256 PolarHBondContact O-N 3.41Å; V252-V256 VanDerWaalsContact O-N 3.15Å; F253-V256 PolarHBondContact O-N 2.81Å; V256-E259 PolarHBondContact O-N 3.06Å; V256-T260 WeakPolarHBondContact O-CG2 3.47Å; V256-T260 PolarHBondContact O-N 2.97Å; V256-T260 PolarHBondContact O-OG1 3.37Å
257I74.7Confident75.3Confident7 Ų774.2 Ų74.24%0.03643%0.429CS..Hα-helixtrans-76.4-37.1-179.6-61.1163.7000111.3L215 F253 L254 L255 E259 T260 I261 L275L215-I257 HydrophobicContact CD1-CD1 4.44Å; L215-I257 HydrophobicContact CD1-CG1 4.01Å; L215-I257 HydrophobicContact CD2-CD1 3.88Å; L215-I257 HydrophobicContact CD2-CG1 4.36Å; L215-I257 HydrophobicContact CG-CD1 3.93Å; L215-I257 HydrophobicContact CG-CG1 3.96Å; F253-I257 WeakPolarHBondContact O-CD1 3.36Å; F253-I257 VanDerWaalsContact O-CG1 3.23Å; F253-I257 WeakPolarHBondContact O-CG1 3.47Å; F253-I257 PolarHBondContact O-N 3.28Å; F253-I257 VanDerWaalsContact O-N 3.13Å; L254-I257 PolarHBondContact O-N 3.3Å; L255-I257 PolarHBondContact O-N 3.39Å; I257-E259 PolarHBondContact O-N 3.25Å; I257-T260 WeakPolarHBondContact CA-OG1 3.1Å; I257-T260 PolarHBondContact O-N 3.18Å; I257-T260 PolarHBondContact O-OG1 3.12Å; I257-I261 HydrophobicContact CG2-CD1 3.47Å; I257-I261 VanDerWaalsContact CG2-CD1 3.47Å; I257-I261 HydrophobicContact CG2-CG1 4.03Å; I257-I261 WeakPolarHBondContact O-CG1 3.2Å; I257-I261 PolarHBondContact O-N 3.11Å; I257-L275 HydrophobicContact CB-CD1 4.16Å; I257-L275 HydrophobicContact CD1-CD1 3.56Å; I257-L275 HydrophobicContact CD1-CD2 3.75Å; I257-L275 HydrophobicContact CD1-CG 4.32Å; I257-L275 HydrophobicContact CG1-CD1 4.35Å; I257-L275 HydrophobicContact CG2-CD1 3.51Å
258T70.4Confident75Confident90 Ų9076.6 Ų76.655%0.55244%0.44SS*.Hα-helixtrans-67.8-21.9172.654.10000114.1L254 L255L254-T258 HydrophobicContact CD1-CG2 4.47Å; L254-T258 WeakPolarHBondContact O-CG2 3.3Å; L254-T258 PolarHBondContact O-N 3.13Å; L254-T258 PolarHBondContact O-OG1 2.86Å; L255-T258 WeakPolarHBondContact CA-OG1 3.47Å; L255-T258 PolarHBondContact O-N 3.21Å; L255-T258 VanDerWaalsContact O-N 3.11Å; L255-T258 PolarHBondContact O-OG1 2.87Å
259E78.1Confident74.6Confident142 Ų14272 Ų7266%0.66442%0.417SS*.Hα-helixtrans-84.1-21.5173.6-71.4-177.8167.200113.2L255 V256 I257L255-E259 PolarHBondContact O-N 3.12Å; V256-E259 PolarHBondContact O-N 3.06Å; I257-E259 PolarHBondContact O-N 3.25Å
260T75.3Confident74.3Confident71 Ų7171.2 Ų71.244%0.43641%0.409SS..Hα-helixtrans-99.4-23.4-177.345.80000114.1V256 I257V256-T260 WeakPolarHBondContact O-CG2 3.47Å; V256-T260 PolarHBondContact O-N 2.97Å; V256-T260 PolarHBondContact O-OG1 3.37Å; I257-T260 WeakPolarHBondContact CA-OG1 3.1Å; I257-T260 PolarHBondContact O-N 3.18Å; I257-T260 PolarHBondContact O-OG1 3.12Å
261I74.4Confident74.3Confident32 Ų3270.7 Ų70.716%0.16441%0.406CS..SBendtrans-93.9136.2177.7-63-178000110.5I130 I257 P269 I271I130-I261 HydrophobicContact CD1-CG2 4.17Å; I257-I261 HydrophobicContact CG2-CD1 3.47Å; I257-I261 VanDerWaalsContact CG2-CD1 3.47Å; I257-I261 HydrophobicContact CG2-CG1 4.03Å; I257-I261 WeakPolarHBondContact O-CG1 3.2Å; I257-I261 PolarHBondContact O-N 3.11Å; I261-P269 HydrophobicContact CG2-CG 3.97Å; I261-I271 HydrophobicContact CD1-CG2 3.91Å
262P67.8Low74.1Confident15 Ų1567.5 Ų67.510%0.09739%0.389CS..  trans-57140.7173.7-24.734.3000113.3E43 V44 I130 T264E43-P262 HydrophobicContact CB-CG 3.77Å; E43-P262 WeakPolarHBondContact O-CG 3.41Å; V44-P262 HydrophobicContact CG2-CG 4.18Å; I130-P262 HydrophobicContact CD1-CB 4.31Å; I130-P262 HydrophobicContact CD1-CG 4.15Å; P262-T264 HydrophobicContact CB-CG2 3.95Å; P262-T264 PolarHBondContact O-N 3.28Å
263S59.8Low73.7Confident127 Ų12768.6 Ų68.689%0.88839%0.388SS*.  trans-77.441.8174.352.30000113.4
264T64.6Low73.6Confident47 Ų4765.6 Ų65.629%0.28838%0.375SS..  trans-81.8133.3179.1550000111.6P262P262-T264 HydrophobicContact CB-CG2 3.95Å; P262-T264 PolarHBondContact O-N 3.28Å
265S59.2Low73.7Confident125 Ų12564.1 Ų64.187%0.87437%0.367SS*.SBendtrans-92.2-0.6179.9550000115
266L65.2Low73.6Confident152 Ų15264 Ų6480%0.79637%0.367SS*.SBendtrans-76.3-43.4-173.8-66.4174000112.9
267V69.6Low73.5Confident57 Ų5763.6 Ų63.635%0.34536%0.359SS..  trans-142139.3178-69.70000109.2I130I130-V267 HydrophobicContact CG1-CG2 4.38Å
268I74.6Confident73.6Confident117 Ų11764.2 Ų64.260%0.636%0.363SS*.  trans-91.6125.1172-59.8175.2000106.9
269P80.7Confident74.1Confident10 Ų1063.3 Ų63.37%0.06535%0.354CS..  trans-57.9146.3175.5-26.735.6000112.3I130 I261 I271 G272 E273I130-P269 HydrophobicContact CB-CG 4.37Å; I130-P269 HydrophobicContact CD1-CG 3.67Å; I130-P269 HydrophobicContact CG1-CG 3.9Å; I130-P269 WeakPolarHBondContact O-CB 3.3Å; I261-P269 HydrophobicContact CG2-CG 3.97Å; P269-I271 HydrophobicContact CB-CG2 3.79Å; P269-I271 PolarHBondContact O-N 3.19Å; P269-G272 CarbonylContact O-C 3.6Å; P269-G272 VanDerWaalsContact O-CA 3.29Å; P269-G272 WeakPolarHBondContact O-CA 3.33Å; P269-G272 PolarHBondContact O-N 3.32Å; P269-E273 PolarHBondContact O-N 2.97Å
270L79.5Confident74.3Confident27 Ų2761.4 Ų61.414%0.14135%0.347CS..Hα-helixtrans-56.3-35.7175.2-171.668.4000112.1T131 G272 E273 Y274 L558 P562T131-L270 WeakPolarHBondContact O-CB 3.44Å; T131-L270 PolarHBondContact O-N 3.03Å; L270-G272 VanDerWaalsContact C-N 3.33Å; L270-E273 PolarHBondContact O-N 3.48Å; L270-Y274 PolarHBondContact O-N 2.94Å; L270-L558 HydrophobicContact CD1-CD2 3.64Å; L270-L558 HydrophobicContact CG-CD2 4.43Å; L270-P562 HydrophobicContact CD2-CG 3.65Å
271I78.4Confident74.6Confident10 Ų1059.7 Ų59.75%0.05133%0.333CS..Hα-helixtrans-65.5-35.1172.4-170.360.4000112.2F133 L215 I216 I261 P269 Y274 L275F133-I271 HydrophobicContact CD1-CG2 4.04Å; L215-I271 HydrophobicContact CD2-CD1 3.75Å; L215-I271 HydrophobicContact CD2-CG1 3.72Å; I216-I271 HydrophobicContact CG1-CD1 4.47Å; I261-I271 HydrophobicContact CD1-CG2 3.91Å; P269-I271 HydrophobicContact CB-CG2 3.79Å; P269-I271 PolarHBondContact O-N 3.19Å; I271-Y274 HydrophobicContact CD1-CD1 4.16Å; I271-Y274 PolarHBondContact O-N 3.26Å; I271-L275 HydrophobicContact CG1-CD1 4.09Å; I271-L275 WeakPolarHBondContact O-CB 3.14Å; I271-L275 VanDerWaalsContact O-CD1 3.31Å; I271-L275 WeakPolarHBondContact O-CD1 3.29Å; I271-L275 WeakPolarHBondContact O-CG 3.29Å; I271-L275 PolarHBondContact O-N 2.71Å
272G77.5Confident74.8Confident13 Ų1358.3 Ų58.313%0.13433%0.326CS..Hα-helixtrans-67.2-41.8174.800000112P269 L270 L275 L276P269-G272 CarbonylContact O-C 3.6Å; P269-G272 VanDerWaalsContact O-CA 3.29Å; P269-G272 WeakPolarHBondContact O-CA 3.33Å; P269-G272 PolarHBondContact O-N 3.32Å; L270-G272 VanDerWaalsContact C-N 3.33Å; G272-L275 PolarHBondContact O-N 3.49Å; G272-L276 WeakPolarHBondContact O-CG 3.2Å; G272-L276 PolarHBondContact O-N 3.23Å
273E79.4Confident75.5Confident114 Ų11460.7 Ų60.753%0.53334%0.341SS..Hα-helixtrans-62-44.6172.8-171.8176.7178.500111.6P269 L270 L275 L276 F277P269-E273 PolarHBondContact O-N 2.97Å; L270-E273 PolarHBondContact O-N 3.48Å; E273-L275 VanDerWaalsContact C-N 3.32Å; E273-L275 PolarHBondContact O-N 3.41Å; E273-L276 PolarHBondContact O-N 2.91Å; E273-F277 WeakPolarHBondContact O-CB 3.34Å; E273-F277 PolarHBondContact O-N 3.3Å
274Y78.7Confident76.7Confident5 Ų558.8 Ų58.82%0.0232%0.32CS..Hα-helixtrans-58.4-40.9173.6177.1-106.2000112.7C219 L270 I271 F277 T278 L558 F559C219-Y274 HydrophobicContact CB-CE1 4.06Å; L270-Y274 PolarHBondContact O-N 2.94Å; I271-Y274 HydrophobicContact CD1-CD1 4.16Å; I271-Y274 PolarHBondContact O-N 3.26Å; Y274-F277 PolarHBondContact O-N 2.99Å; Y274-T278 HydrophobicContact CD1-CG2 4.49Å; Y274-T278 HydrophobicContact CD2-CG2 4.27Å; Y274-T278 HydrophobicContact CE1-CG2 4.01Å; Y274-T278 HydrophobicContact CE2-CG2 3.77Å; Y274-T278 WeakPolarHBondContact O-CB 3.42Å; Y274-T278 WeakPolarHBondContact O-CG2 3.48Å; Y274-T278 PolarHBondContact O-N 3.47Å; Y274-T278 PolarHBondContact O-OG1 3.03Å; Y274-L558 HydrophobicContact CD2-CD1 3.72Å; Y274-L558 HydrophobicContact CG-CD1 4.37Å; Y274-F559 HydrophobicContact CD2-CE2 4.47Å; Y274-F559 HydrophobicContact CE2-CE2 4.27Å
275L75.8Confident77.7Confident17 Ų1756.8 Ų56.89%0.08931%0.308CS..Hα-helixtrans-71.2-39.1179.2-70.8162.7000112.5I257 I271 G272 E273 T278 M279I257-L275 HydrophobicContact CB-CD1 4.16Å; I257-L275 HydrophobicContact CD1-CD1 3.56Å; I257-L275 HydrophobicContact CD1-CD2 3.75Å; I257-L275 HydrophobicContact CD1-CG 4.32Å; I257-L275 HydrophobicContact CG1-CD1 4.35Å; I257-L275 HydrophobicContact CG2-CD1 3.51Å; I271-L275 HydrophobicContact CG1-CD1 4.09Å; I271-L275 WeakPolarHBondContact O-CB 3.14Å; I271-L275 VanDerWaalsContact O-CD1 3.31Å; I271-L275 WeakPolarHBondContact O-CD1 3.29Å; I271-L275 WeakPolarHBondContact O-CG 3.29Å; I271-L275 PolarHBondContact O-N 2.71Å; G272-L275 PolarHBondContact O-N 3.49Å; E273-L275 VanDerWaalsContact C-N 3.32Å; E273-L275 PolarHBondContact O-N 3.41Å; L275-T278 WeakPolarHBondContact CA-OG1 3.47Å; L275-T278 PolarHBondContact O-N 3.13Å; L275-T278 PolarHBondContact O-OG1 2.96Å; L275-T278 VanDerWaalsContact O-OG1 3.1Å; L275-M279 WeakPolarHBondContact O-CB 3.48Å; L275-M279 PolarHBondContact O-N 3.47Å
276L78.6Confident78.9Confident93 Ų9352.5 Ų52.549%0.48728%0.275SS..Hα-helixtrans-64.2-44.4172.8-71.5171.5000111G272 E273 M279 I280G272-L276 WeakPolarHBondContact O-CG 3.2Å; G272-L276 PolarHBondContact O-N 3.23Å; E273-L276 PolarHBondContact O-N 2.91Å; L276-M279 PolarHBondContact O-N 3.12Å; L276-I280 VanDerWaalsContact O-CG1 3.29Å; L276-I280 WeakPolarHBondContact O-CG1 3.35Å; L276-I280 PolarHBondContact O-N 2.87Å
277F80.6Confident79.9Confident65 Ų6550.1 Ų50.129%0.28527%0.267SS..Hα-helixtrans-60.2-47.8175.4177.3-99000112.1E273 Y274 I280 F281 V550E273-F277 WeakPolarHBondContact O-CB 3.34Å; E273-F277 PolarHBondContact O-N 3.3Å; Y274-F277 PolarHBondContact O-N 2.99Å; F277-I280 PolarHBondContact O-N 2.79Å; F277-F281 HydrophobicContact CD1-CD2 4.48Å; F277-F281 HydrophobicContact CD2-CD2 4.36Å; F277-F281 HydrophobicContact CE1-CD2 4.06Å; F277-F281 HydrophobicContact CE1-CE2 4.4Å; F277-F281 AromaticContact CE2-CD2 3.93Å; F277-F281 HydrophobicContact CE2-CD2 3.93Å; F277-F281 AromaticContact CE2-CE2 3.79Å; F277-F281 HydrophobicContact CE2-CE2 3.79Å; F277-F281 AromaticContact CZ-CD2 3.78Å; F277-F281 HydrophobicContact CZ-CD2 3.78Å; F277-F281 AromaticContact CZ-CE2 3.7Å; F277-F281 HydrophobicContact CZ-CE2 3.7Å; F277-F281 WeakPolarHBondContact O-CB 3.48Å; F277-F281 PolarHBondContact O-N 3.43Å; F277-V550 HydrophobicContact CE2-CG1 4.44Å; F277-V550 HydrophobicContact CZ-CG1 3.77Å
278T78Confident80.8Confident19 Ų1948.8 Ų48.812%0.11726%0.257CS..Hα-helixtrans-66.5-39.3177.450.70000112Y274 L275 I280 F281 V282Y274-T278 HydrophobicContact CD1-CG2 4.49Å; Y274-T278 HydrophobicContact CD2-CG2 4.27Å; Y274-T278 HydrophobicContact CE1-CG2 4.01Å; Y274-T278 HydrophobicContact CE2-CG2 3.77Å; Y274-T278 WeakPolarHBondContact O-CB 3.42Å; Y274-T278 WeakPolarHBondContact O-CG2 3.48Å; Y274-T278 PolarHBondContact O-N 3.47Å; Y274-T278 PolarHBondContact O-OG1 3.03Å; L275-T278 WeakPolarHBondContact CA-OG1 3.47Å; L275-T278 PolarHBondContact O-N 3.13Å; L275-T278 PolarHBondContact O-OG1 2.96Å; L275-T278 VanDerWaalsContact O-OG1 3.1Å; T278-I280 PolarHBondContact O-N 3.49Å; T278-F281 CarbonylContact O-C 3.57Å; T278-F281 WeakPolarHBondContact O-CB 3.48Å; T278-F281 PolarHBondContact O-N 2.77Å; T278-F281 VanDerWaalsContact O-N 3.13Å; T278-V282 VanDerWaalsContact O-CG2 3.3Å; T278-V282 WeakPolarHBondContact O-CG2 3.39Å; T278-V282 PolarHBondContact O-N 3.47Å
279M79.6Confident81.3Confident72 Ų7243.3 Ų43.336%0.35523%0.229SC..Hα-helixtrans-59.9-44.8174.2-176.8-175.2-177.700112.4L250 L254 L275 L276 F281 V282 T283L250-M279 HydrophobicContact CD2-CG 4.3Å; L254-M279 HydrophobicContact CD2-CE 4.03Å; L254-M279 HydrophobicContact CD2-SD 3.68Å; L275-M279 WeakPolarHBondContact O-CB 3.48Å; L275-M279 PolarHBondContact O-N 3.47Å; L276-M279 PolarHBondContact O-N 3.12Å; M279-F281 VanDerWaalsContact C-N 3.32Å; M279-F281 PolarHBondContact O-N 3.22Å; M279-V282 PolarHBondContact O-N 3.41Å; M279-T283 WeakPolarHBondContact O-CB 3.45Å; M279-T283 WeakPolarHBondContact O-CG2 3.47Å; M279-T283 PolarHBondContact O-N 3.06Å; M279-T283 PolarHBondContact O-OG1 3.49Å
280I83.1Confident81.6Confident101 Ų10147.1 Ų47.152%0.51825%0.252SS..Hα-helixtrans-61.4-42.5173.2-67.8165000110.2L276 F277 T278 T283 L284L276-I280 VanDerWaalsContact O-CG1 3.29Å; L276-I280 WeakPolarHBondContact O-CG1 3.35Å; L276-I280 PolarHBondContact O-N 2.87Å; F277-I280 PolarHBondContact O-N 2.79Å; T278-I280 PolarHBondContact O-N 3.49Å; I280-T283 WeakPolarHBondContact CA-OG1 3.45Å; I280-T283 PolarHBondContact O-OG1 2.86Å; I280-L284 HydrophobicContact CG2-CD1 4Å; I280-L284 WeakPolarHBondContact O-CB 3.33Å; I280-L284 VanDerWaalsContact O-CG 3.3Å; I280-L284 WeakPolarHBondContact O-CG 3.38Å; I280-L284 PolarHBondContact O-N 3.28Å
281F80.6Confident82.1Confident35 Ų3550.7 Ų50.715%0.15427%0.267CS..Hα-helixtrans-64-44.7177.2-106.6-93.3000113.3F277 T278 M279 L284 S285 F547 V550F277-F281 HydrophobicContact CD1-CD2 4.48Å; F277-F281 HydrophobicContact CD2-CD2 4.36Å; F277-F281 HydrophobicContact CE1-CD2 4.06Å; F277-F281 HydrophobicContact CE1-CE2 4.4Å; F277-F281 AromaticContact CE2-CD2 3.93Å; F277-F281 HydrophobicContact CE2-CD2 3.93Å; F277-F281 AromaticContact CE2-CE2 3.79Å; F277-F281 HydrophobicContact CE2-CE2 3.79Å; F277-F281 AromaticContact CZ-CD2 3.78Å; F277-F281 HydrophobicContact CZ-CD2 3.78Å; F277-F281 AromaticContact CZ-CE2 3.7Å; F277-F281 HydrophobicContact CZ-CE2 3.7Å; F277-F281 WeakPolarHBondContact O-CB 3.48Å; F277-F281 PolarHBondContact O-N 3.43Å; T278-F281 CarbonylContact O-C 3.57Å; T278-F281 WeakPolarHBondContact O-CB 3.48Å; T278-F281 PolarHBondContact O-N 2.77Å; T278-F281 VanDerWaalsContact O-N 3.13Å; M279-F281 VanDerWaalsContact C-N 3.32Å; M279-F281 PolarHBondContact O-N 3.22Å; F281-L284 PolarHBondContact O-N 3.02Å; F281-S285 PolarHBondContact O-N 3.26Å; F281-F547 AromaticContact CD1-CD1 3.49Å; F281-F547 HydrophobicContact CD1-CD1 3.49Å; F281-F547 VanDerWaalsContact CD1-CD1 3.49Å; F281-F547 AromaticContact CD1-CE1 3.43Å; F281-F547 HydrophobicContact CD1-CE1 3.43Å; F281-F547 VanDerWaalsContact CD1-CE1 3.43Å; F281-F547 HydrophobicContact CD1-CG 4.38Å; F281-F547 HydrophobicContact CD1-CZ 4.29Å; F281-F547 AromaticContact CE1-CD1 3.69Å; F281-F547 HydrophobicContact CE1-CD1 3.69Å; F281-F547 AromaticContact CE1-CE1 3.73Å; F281-F547 HydrophobicContact CE1-CE1 3.73Å; F281-F547 HydrophobicContact CE1-CG 4.15Å; F281-F547 HydrophobicContact CE1-CZ 4.24Å; F281-F547 HydrophobicContact CG-CE1 4.46Å; F281-F547 WeakPolarHBondContact O-CE1 3.19Å; F281-V550 HydrophobicContact CE1-CB 4.01Å; F281-V550 HydrophobicContact CE1-CG1 3.98Å; F281-V550 HydrophobicContact CE2-CB 4.48Å; F281-V550 HydrophobicContact CE2-CG1 3.58Å; F281-V550 HydrophobicContact CZ-CB 3.64Å; F281-V550 HydrophobicContact CZ-CG1 3.2Å; F281-V550 HydrophobicContact CZ-CG2 4.32Å
282V79.2Confident82.5Confident3 Ų350.2 Ų50.22%0.01826%0.264CS..Hα-helixtrans-66.8-44179.4176.30000111.1T226 V246 L250 T278 M279 L284 S285 I286T226-V282 HydrophobicContact CG2-CB 4.29Å; T226-V282 HydrophobicContact CG2-CG1 4.15Å; T226-V282 HydrophobicContact CG2-CG2 3.35Å; V246-V282 HydrophobicContact CG1-CG1 4.26Å; L250-V282 HydrophobicContact CD1-CB 3.76Å; L250-V282 HydrophobicContact CD1-CG1 4.05Å; L250-V282 HydrophobicContact CD1-CG2 3.45Å; L250-V282 VanDerWaalsContact CD1-CG2 3.45Å; T278-V282 VanDerWaalsContact O-CG2 3.3Å; T278-V282 WeakPolarHBondContact O-CG2 3.39Å; T278-V282 PolarHBondContact O-N 3.47Å; M279-V282 PolarHBondContact O-N 3.41Å; V282-L284 PolarHBondContact O-N 3.05Å; V282-S285 PolarHBondContact O-N 3.33Å; V282-S285 VanDerWaalsContact O-N 3.12Å; V282-S285 PolarHBondContact O-OG 2.94Å; V282-I286 HydrophobicContact CG1-CD1 3.81Å; V282-I286 HydrophobicContact CG1-CG1 4.48Å; V282-I286 WeakPolarHBondContact O-CG1 3.23Å; V282-I286 PolarHBondContact O-N 2.89Å
283T82.9Confident82.9Confident65 Ų6550.6 Ų50.640%0.39926%0.263SS..Hα-helixtrans-61.3-44.2176.750.40000111.9M279 I280 S285 I286 V287M279-T283 WeakPolarHBondContact O-CB 3.45Å; M279-T283 WeakPolarHBondContact O-CG2 3.47Å; M279-T283 PolarHBondContact O-N 3.06Å; M279-T283 PolarHBondContact O-OG1 3.49Å; I280-T283 WeakPolarHBondContact CA-OG1 3.45Å; I280-T283 PolarHBondContact O-OG1 2.86Å; T283-S285 PolarHBondContact O-N 2.66Å; T283-I286 PolarHBondContact O-N 3.21Å; T283-V287 WeakPolarHBondContact O-CG2 3.2Å; T283-V287 PolarHBondContact O-N 3.48Å; T283-V287 VanDerWaalsContact O-N 3.17Å
284L86.1Confident83.4Confident88 Ų8850 Ų5046%0.46126%0.263SS..Hα-helixtrans-60.9-40.9171.7-72.3173.5000112.4I280 F281 V282 I286 V287 I288 F547I280-L284 HydrophobicContact CG2-CD1 4Å; I280-L284 WeakPolarHBondContact O-CB 3.33Å; I280-L284 VanDerWaalsContact O-CG 3.3Å; I280-L284 WeakPolarHBondContact O-CG 3.38Å; I280-L284 PolarHBondContact O-N 3.28Å; F281-L284 PolarHBondContact O-N 3.02Å; V282-L284 PolarHBondContact O-N 3.05Å; L284-I286 VanDerWaalsContact C-N 3.32Å; L284-I286 PolarHBondContact O-N 2.81Å; L284-V287 PolarHBondContact O-N 3.45Å; L284-I288 WeakPolarHBondContact O-CD1 3.45Å; L284-I288 VanDerWaalsContact O-CG1 3.28Å; L284-I288 WeakPolarHBondContact O-CG1 3.4Å; L284-I288 PolarHBondContact O-N 2.98Å; L284-F547 HydrophobicContact CB-CZ 4.34Å
285S84.2Confident83.7Confident5 Ų549.9 Ų49.94%0.03526%0.264CS..Hα-helixtrans-61-41.1178.374.60000112.3F281 V282 T283 I288 T289F281-S285 PolarHBondContact O-N 3.26Å; V282-S285 PolarHBondContact O-N 3.33Å; V282-S285 VanDerWaalsContact O-N 3.12Å; V282-S285 PolarHBondContact O-OG 2.94Å; T283-S285 PolarHBondContact O-N 2.66Å; S285-I288 PolarHBondContact O-N 3.43Å; S285-T289 VanDerWaalsContact O-CG2 3.3Å; S285-T289 WeakPolarHBondContact O-CG2 3.29Å; S285-T289 PolarHBondContact O-N 3.15Å; S285-T289 PolarHBondContact O-OG1 2.99Å
286I83.7Confident84.2Confident35 Ų3549.5 Ų49.518%0.17926%0.261CS..Hα-helixtrans-68.8-40.1-178.5-67161.5000110.7L247 V282 T283 L284 I288 T289 V290L247-I286 HydrophobicContact CB-CD1 3.84Å; L247-I286 HydrophobicContact CD1-CD1 3.82Å; L247-I286 HydrophobicContact CD2-CD1 4.26Å; L247-I286 HydrophobicContact CG-CD1 4.17Å; V282-I286 HydrophobicContact CG1-CD1 3.81Å; V282-I286 HydrophobicContact CG1-CG1 4.48Å; V282-I286 WeakPolarHBondContact O-CG1 3.23Å; V282-I286 PolarHBondContact O-N 2.89Å; T283-I286 PolarHBondContact O-N 3.21Å; L284-I286 VanDerWaalsContact C-N 3.32Å; L284-I286 PolarHBondContact O-N 2.81Å; I286-I288 VanDerWaalsContact C-N 3.29Å; I286-I288 PolarHBondContact O-N 3.15Å; I286-T289 PolarHBondContact O-N 3.2Å; I286-T289 PolarHBondContact O-OG1 3.31Å; I286-V290 WeakPolarHBondContact O-CG2 3.45Å; I286-V290 PolarHBondContact O-N 3.1Å; I286-V290 VanDerWaalsContact O-N 3.08Å
287V87.9Confident84.4Confident102 Ų10252 Ų5262%0.61827%0.265SS*.Hα-helixtrans-61.3-41.2174.3173.20000110.8T283 L284 F291T283-V287 WeakPolarHBondContact O-CG2 3.2Å; T283-V287 PolarHBondContact O-N 3.48Å; T283-V287 VanDerWaalsContact O-N 3.17Å; L284-V287 PolarHBondContact O-N 3.45Å; V287-F291 PolarHBondContact O-N 3.47Å
288I88.1Confident84.6Confident29 Ų2951.9 Ų51.915%0.14926%0.263CS..Hα-helixtrans-69.3-41.7178.2-66165.6000111.4F230 L284 S285 I286 V290 F291 V292 F543 F547F230-I288 HydrophobicContact CE1-CB 4.23Å; F230-I288 HydrophobicContact CE1-CG2 3.74Å; F230-I288 HydrophobicContact CZ-CB 4.28Å; F230-I288 HydrophobicContact CZ-CG2 4.14Å; L284-I288 WeakPolarHBondContact O-CD1 3.45Å; L284-I288 VanDerWaalsContact O-CG1 3.28Å; L284-I288 WeakPolarHBondContact O-CG1 3.4Å; L284-I288 PolarHBondContact O-N 2.98Å; S285-I288 PolarHBondContact O-N 3.43Å; I286-I288 VanDerWaalsContact C-N 3.29Å; I286-I288 PolarHBondContact O-N 3.15Å; I288-V290 PolarHBondContact O-N 3.47Å; I288-F291 WeakPolarHBondContact O-CB 3.25Å; I288-F291 PolarHBondContact O-N 3.31Å; I288-F291 VanDerWaalsContact O-N 3.16Å; I288-V292 HydrophobicContact CG2-CG2 4.35Å; I288-V292 WeakPolarHBondContact O-CG2 3.48Å; I288-V292 PolarHBondContact O-N 3.28Å; I288-F543 HydrophobicContact CD1-CD1 3.9Å; I288-F543 HydrophobicContact CD1-CE1 3.87Å; I288-F543 HydrophobicContact CD1-CG 4.41Å; I288-F543 HydrophobicContact CD1-CZ 4.34Å; I288-F543 HydrophobicContact CG1-CE1 4.49Å; I288-F543 HydrophobicContact CG1-CZ 4.48Å; I288-F543 HydrophobicContact CG2-CB 4.24Å; I288-F543 HydrophobicContact CG2-CD1 4.19Å; I288-F543 HydrophobicContact CG2-CD2 3.31Å; I288-F543 HydrophobicContact CG2-CE1 4.39Å; I288-F543 HydrophobicContact CG2-CE2 3.54Å; I288-F543 HydrophobicContact CG2-CG 3.67Å; I288-F543 HydrophobicContact CG2-CZ 4.09Å; I288-F547 HydrophobicContact CD1-CE2 3.64Å; I288-F547 HydrophobicContact CD1-CZ 3.82Å
289T85.3Confident84.6Confident2 Ų254 Ų541%0.01228%0.276CS..Hα-helixtrans-65.4-39.4179.559.50000111.7V229 F230 C243 S285 I286 F291 V292 L293V229-T289 HydrophobicContact CG1-CG2 3.53Å; F230-T289 HydrophobicContact CD1-CG2 4.01Å; F230-T289 HydrophobicContact CE1-CG2 3.52Å; F230-T289 HydrophobicContact CZ-CG2 4.08Å; C243-T289 PolarHBondContact SG-OG1 3.44Å; C243-T289 VanDerWaalsContact SG-OG1 3.35Å; S285-T289 VanDerWaalsContact O-CG2 3.3Å; S285-T289 WeakPolarHBondContact O-CG2 3.29Å; S285-T289 PolarHBondContact O-N 3.15Å; S285-T289 PolarHBondContact O-OG1 2.99Å; I286-T289 PolarHBondContact O-N 3.2Å; I286-T289 PolarHBondContact O-OG1 3.31Å; T289-F291 VanDerWaalsContact C-N 3.34Å; T289-V292 PolarHBondContact O-N 3.11Å; T289-L293 WeakPolarHBondContact O-CB 3.41Å; T289-L293 VanDerWaalsContact O-CG 3.27Å; T289-L293 WeakPolarHBondContact O-CG 3.39Å; T289-L293 PolarHBondContact O-N 3.34Å
290V86.8Confident84.4Confident90 Ų9051.9 Ų51.955%0.54527%0.268SS..Hα-helixtrans-61.6-41.6171.6173.10000111.2I286 I288 L293 N294I286-V290 WeakPolarHBondContact O-CG2 3.45Å; I286-V290 PolarHBondContact O-N 3.1Å; I286-V290 VanDerWaalsContact O-N 3.08Å; I288-V290 PolarHBondContact O-N 3.47Å; V290-L293 PolarHBondContact O-N 2.89Å; V290-N294 WeakPolarHBondContact O-CB 3.3Å; V290-N294 PolarHBondContact O-N 3.23Å
291F89.9Confident83.8Confident102 Ų10254.9 Ų54.945%0.44728%0.282SS..Hα-helixtrans-62-45.1173.7173.5-96.5000112.4V287 I288 T289 L293 N294 V295V287-F291 PolarHBondContact O-N 3.47Å; I288-F291 WeakPolarHBondContact O-CB 3.25Å; I288-F291 PolarHBondContact O-N 3.31Å; I288-F291 VanDerWaalsContact O-N 3.16Å; T289-F291 VanDerWaalsContact C-N 3.34Å; F291-L293 PolarHBondContact O-N 3.35Å; F291-N294 WeakPolarHBondContact O-CB 3.3Å; F291-N294 PolarHBondContact O-N 3.24Å; F291-V295 HydrophobicContact CD1-CG2 4.43Å; F291-V295 HydrophobicContact CE1-CG2 3.96Å; F291-V295 HydrophobicContact CE2-CG2 4.26Å; F291-V295 HydrophobicContact CZ-CG2 3.87Å; F291-V295 WeakPolarHBondContact O-CG2 3.37Å; F291-V295 PolarHBondContact O-N 3.49Å
292V87.4Confident83.7Confident0 Ų058 Ų580%030%0.303CS..Hα-helixtrans-64.3-41.2178.5176.50000111.5I288 T289 N294 V295 H296 A536 I539I288-V292 HydrophobicContact CG2-CG2 4.35Å; I288-V292 WeakPolarHBondContact O-CG2 3.48Å; I288-V292 PolarHBondContact O-N 3.28Å; T289-V292 PolarHBondContact O-N 3.11Å; V292-N294 VanDerWaalsContact C-N 3.34Å; V292-N294 PolarHBondContact O-N 3.49Å; V292-V295 PolarHBondContact O-N 2.99Å; V292-V295 VanDerWaalsContact O-N 3.08Å; V292-H296 WeakPolarHBondContact O-CB 3.49Å; V292-H296 PolarHBondContact O-N 3.32Å; V292-A536 HydrophobicContact CG1-CB 3.98Å; V292-I539 HydrophobicContact CG2-CB 4.32Å; V292-I539 HydrophobicContact CG2-CG2 3.6Å
293L85.8Confident83.7Confident20 Ų2062.2 Ų62.211%0.10532%0.323CS..Hα-helixtrans-61.1-42.1174.7-72164.4000111.6K239 V240 T289 V290 F291 V295 H296 Y297K239-L293 HydrophobicContact CD-CD2 4.32Å; V240-L293 HydrophobicContact CG2-CD1 3.46Å; V240-L293 VanDerWaalsContact CG2-CD1 3.46Å; T289-L293 WeakPolarHBondContact O-CB 3.41Å; T289-L293 VanDerWaalsContact O-CG 3.27Å; T289-L293 WeakPolarHBondContact O-CG 3.39Å; T289-L293 PolarHBondContact O-N 3.34Å; V290-L293 PolarHBondContact O-N 2.89Å; F291-L293 PolarHBondContact O-N 3.35Å; L293-V295 VanDerWaalsContact C-N 3.26Å; L293-V295 PolarHBondContact O-N 3.35Å; L293-H296 PolarHBondContact O-N 3.19Å; L293-Y297 HydrophobicContact CD2-CE2 4.18Å; L293-Y297 WeakPolarHBondContact O-CD2 3.3Å; L293-Y297 PolarHBondContact O-N 2.93Å; L293-Y297 VanDerWaalsContact O-N 3.09Å
294N88.3Confident83.5Confident101 Ų10165.2 Ų65.254%0.5434%0.341SS..Hα-helixtrans-63.7-28.8173.6-174.914.7000112.8V290 F291 V292 R298V290-N294 WeakPolarHBondContact O-CB 3.3Å; V290-N294 PolarHBondContact O-N 3.23Å; F291-N294 WeakPolarHBondContact O-CB 3.3Å; F291-N294 PolarHBondContact O-N 3.24Å; V292-N294 VanDerWaalsContact C-N 3.34Å; V292-N294 PolarHBondContact O-N 3.49Å; N294-R298 VanDerWaalsContact O-CG 3.25Å; N294-R298 WeakPolarHBondContact O-CG 3.3Å
295V86.3Confident83.2Confident4 Ų462.5 Ų62.52%0.02433%0.327CS..Hα-helixtrans-78.3-40173175.50000111.9F291 V292 L293 R298 W532 V535 A536 I539F291-V295 HydrophobicContact CD1-CG2 4.43Å; F291-V295 HydrophobicContact CE1-CG2 3.96Å; F291-V295 HydrophobicContact CE2-CG2 4.26Å; F291-V295 HydrophobicContact CZ-CG2 3.87Å; F291-V295 WeakPolarHBondContact O-CG2 3.37Å; F291-V295 PolarHBondContact O-N 3.49Å; V292-V295 PolarHBondContact O-N 2.99Å; V292-V295 VanDerWaalsContact O-N 3.08Å; L293-V295 VanDerWaalsContact C-N 3.26Å; L293-V295 PolarHBondContact O-N 3.35Å; V295-R298 WeakPolarHBondContact O-CB 3.49Å; V295-R298 WeakPolarHBondContact O-CG 3.43Å; V295-R298 PolarHBondContact O-N 2.91Å; V295-W532 HydrophobicContact CG1-CE3 3.9Å; V295-W532 HydrophobicContact CG1-CZ3 4.13Å; V295-V535 HydrophobicContact CG1-CG1 4.23Å; V295-A536 HydrophobicContact CG1-CB 4.22Å; V295-I539 HydrophobicContact CG1-CD1 4.16Å
296H85.4Confident83.3Confident8 Ų864.7 Ų64.74%0.03734%0.341CS..Hα-helixtrans-63.9-43.6-179.1176.2-102.5000112.7S234 D235 V292 L293 R298 A536S234-H296 PolarHBondContact OG-CD2 3.22Å; S234-H296 PolarHBondContact OG-CE1 2.95Å; S234-H296 PolarHBondContact OG-ND1 2.8Å; S234-H296 PolarHBondContact OG-NE2 3.28Å; S234-H296 VanDerWaalsContact OG-NE2 3.12Å; D235-H296 IonicContact OD1-CE1 2.69Å; D235-H296 PolarHBondContact OD1-CE1 2.95Å; D235-H296 VanDerWaalsContact OD1-CE1 3.27Å; D235-H296 IonicContact OD1-NE2 2.7Å; D235-H296 PolarHBondContact OD1-NE2 3.03Å; V292-H296 WeakPolarHBondContact O-CB 3.49Å; V292-H296 PolarHBondContact O-N 3.32Å; L293-H296 PolarHBondContact O-N 3.19Å; H296-R298 PolarHBondContact O-N 3.37Å; H296-A536 HydrophobicContact CB-CB 3.69Å
297Y84Confident83.2Confident145 Ų14568.3 Ų68.357%0.56937%0.368SS*.THydrogen-bonded Turntrans-81.815.6179.7-69.2-67000114.6L293 T299L293-Y297 HydrophobicContact CD2-CE2 4.18Å; L293-Y297 WeakPolarHBondContact O-CD2 3.3Å; L293-Y297 PolarHBondContact O-N 2.93Å; L293-Y297 VanDerWaalsContact O-N 3.09Å; Y297-T299 PolarHBondContact O-N 2.88Å
298R84.6Confident83.1Confident63 Ų6371.4 Ų71.424%0.23837%0.368CS..  trans-72.7111176.6-70.9-172.6-179.7-167.5-1.9112.4N294 V295 H296 W532N294-R298 VanDerWaalsContact O-CG 3.25Å; N294-R298 WeakPolarHBondContact O-CG 3.3Å; V295-R298 WeakPolarHBondContact O-CB 3.49Å; V295-R298 WeakPolarHBondContact O-CG 3.43Å; V295-R298 PolarHBondContact O-N 2.91Å; H296-R298 PolarHBondContact O-N 3.37Å; R298-W532 HydrophobicContact CB-CD2 4.13Å; R298-W532 HydrophobicContact CB-CG 4.13Å
299T77.8Confident83Confident64 Ų6470.5 Ų70.539%0.39336%0.364SS..  trans-77.4137.4173.2-37.10000111.4Y297 M301 T302 H303Y297-T299 PolarHBondContact O-N 2.88Å; T299-M301 HydrophobicContact CG2-CB 4.18Å; T299-M301 HydrophobicContact CG2-CG 4.16Å; T299-M301 PolarHBondContact O-N 3.37Å; T299-T302 PolarHBondContact O-N 3.06Å; T299-T302 VanDerWaalsContact O-N 3.08Å; T299-T302 PolarHBondContact O-OG1 3.43Å; T299-H303 PolarHBondContact O-N 3.25Å
300P74.3Confident82.8Confident28 Ų2876 Ų7618%0.18239%0.385CS..THydrogen-bonded Turntrans-60.2-17.2175.126.5-39.8000114.6T302 A525 V528P300-T302 VanDerWaalsContact C-N 3.35Å; P300-A525 HydrophobicContact CG-CB 4.02Å; P300-A525 WeakPolarHBondContact CG-O 3.3Å; P300-V528 HydrophobicContact CB-CB 4.04Å; P300-V528 HydrophobicContact CB-CG1 3.83Å
301M71.3Confident82.5Confident164 Ų16474.3 Ų74.381%0.80838%0.377SS*.THydrogen-bonded Turntrans-77.5-19.2178.2-58.7-63-74.400113.1T299T299-M301 HydrophobicContact CG2-CB 4.18Å; T299-M301 HydrophobicContact CG2-CG 4.16Å; T299-M301 PolarHBondContact O-N 3.37Å
302T78.7Confident82.3Confident100 Ų10072.2 Ų72.261%0.61337%0.372SS*.THydrogen-bonded Turntrans-111.6-30.1-17961.20000112.8T299 P300T299-T302 PolarHBondContact O-N 3.06Å; T299-T302 VanDerWaalsContact O-N 3.08Å; T299-T302 PolarHBondContact O-OG1 3.43Å; P300-T302 VanDerWaalsContact C-N 3.35Å
303H79.1Confident82Confident91 Ų9173.9 Ų73.942%0.42138%0.38SS..  trans-133.5129-177.1-67.479.8000112.2T299T299-H303 PolarHBondContact O-N 3.25Å
304T79.6Confident81.7Confident128 Ų12874.3 Ų74.379%0.78538%0.382SS*.PPolyproline II helixtrans-88.5140.3170.4540000110.5P306T304-P306 WeakPolarHBondContact O-CD 3.5Å
305M79.6Confident81.1Confident32 Ų3276 Ų7616%0.15838%0.384CS..PPolyproline II helixtrans-80.5122.7-179.8-176.9166.750.800111.3V309 R310 L314 D531 W532 V535M305-V309 HydrophobicContact CG-CB 4.07Å; M305-V309 HydrophobicContact CG-CG1 3.97Å; M305-V309 HydrophobicContact SD-CG1 3.94Å; M305-R310 HydrophobicContact CE-CB 4.2Å; M305-R310 HydrophobicContact CE-CG 3.82Å; M305-R310 HydrophobicContact SD-CB 4.47Å; M305-L314 HydrophobicContact CE-CD1 4.07Å; M305-D531 HydrophobicContact CE-CB 3.86Å; M305-W532 HydrophobicContact CB-CZ2 3.83Å; M305-W532 HydrophobicContact CG-CH2 4.4Å; M305-W532 HydrophobicContact CG-CZ2 4.14Å; M305-V535 HydrophobicContact SD-CG2 4.33Å
306P85.2Confident80.8Confident51 Ų5179.5 Ų79.533%0.33141%0.405SS..PPolyproline II helixtrans-64146.2177.1-21.332.6000113T304 W308 V309 R310T304-P306 WeakPolarHBondContact O-CD 3.5Å; P306-W308 HydrophobicContact CB-CG 4.27Å; P306-W308 PolarHBondContact O-N 3.37Å; P306-V309 HydrophobicContact CB-CG2 4.05Å; P306-V309 HydrophobicContact CG-CG2 3.95Å; P306-V309 WeakPolarHBondContact O-CB 3.2Å; P306-V309 PolarHBondContact O-N 3.4Å; P306-V309 VanDerWaalsContact O-N 3.12Å; P306-R310 PolarHBondContact O-N 3.47Å; P306-R310 VanDerWaalsContact O-N 3.09Å
307C82.2Confident80.5Confident110 Ų11080.7 Ų80.774%0.74341%0.412SS*.Hα-helixtrans-61.2-28.1-179.6-60.40000113.8S311C307-S311 PolarHBondContact O-N 3.28Å; C307-S311 PolarHBondContact O-OG 2.85Å
308W85.4Confident80.3Confident167 Ų16774.3 Ų74.363%0.63339%0.388SS*.Hα-helixtrans-71.5-4417570.9-100000111.6P306 R310 S311 V312 F313P306-W308 HydrophobicContact CB-CG 4.27Å; P306-W308 PolarHBondContact O-N 3.37Å; W308-R310 VanDerWaalsContact C-N 3.28Å; W308-R310 PolarHBondContact O-N 3.17Å; W308-S311 PolarHBondContact O-N 2.96Å; W308-V312 WeakPolarHBondContact O-CG2 3.45Å; W308-V312 PolarHBondContact O-N 3.46Å; W308-F313 HydrophobicContact CZ3-CE2 4.17Å
309V85.5Confident79.9Confident10 Ų1081.2 Ų81.26%0.06141%0.414CS..Hα-helixtrans-56.3-47.4174.2176.60000109.5M305 P306 S311 V312 F313 W532 V535M305-V309 HydrophobicContact CG-CB 4.07Å; M305-V309 HydrophobicContact CG-CG1 3.97Å; M305-V309 HydrophobicContact SD-CG1 3.94Å; P306-V309 HydrophobicContact CB-CG2 4.05Å; P306-V309 HydrophobicContact CG-CG2 3.95Å; P306-V309 WeakPolarHBondContact O-CB 3.2Å; P306-V309 PolarHBondContact O-N 3.4Å; P306-V309 VanDerWaalsContact O-N 3.12Å; V309-S311 PolarHBondContact O-N 2.94Å; V309-V312 PolarHBondContact O-N 3.47Å; V309-F313 HydrophobicContact CB-CD2 4.43Å; V309-F313 HydrophobicContact CG1-CD2 3.82Å; V309-F313 PolarHBondContact O-N 2.86Å; V309-W532 HydrophobicContact CG1-CZ3 4.48Å; V309-V535 HydrophobicContact CG1-CG1 4.26Å; V309-V535 HydrophobicContact CG1-CG2 4.31Å
310R81.9Confident80Confident118 Ų11884.1 Ų84.145%0.44543%0.426SS..Hα-helixtrans-60.3-29.1178.1-155.6177-162.3-172.54.4113.6M305 P306 W308 L314 D531M305-R310 HydrophobicContact CE-CB 4.2Å; M305-R310 HydrophobicContact CE-CG 3.82Å; M305-R310 HydrophobicContact SD-CB 4.47Å; P306-R310 PolarHBondContact O-N 3.47Å; P306-R310 VanDerWaalsContact O-N 3.09Å; W308-R310 VanDerWaalsContact C-N 3.28Å; W308-R310 PolarHBondContact O-N 3.17Å; R310-L314 HydrophobicContact CG-CD1 3.72Å; R310-L314 WeakPolarHBondContact O-CB 3.3Å; R310-D531 IonicContact CZ-OD2 2.67Å; R310-D531 IonicContact NE-OD2 2.9Å; R310-D531 IonicContact NH2-OD2 3.19Å; R310-D531 PolarHBondContact NH2-OD2 3.34Å
311S81.3Confident79.9Confident55 Ų5584.6 Ų84.639%0.38543%0.426SS..Hα-helixtrans-86.6-43.2179.6-58.90000111.7C307 W308 V309 K315 V316C307-S311 PolarHBondContact O-N 3.28Å; C307-S311 PolarHBondContact O-OG 2.85Å; W308-S311 PolarHBondContact O-N 2.96Å; V309-S311 PolarHBondContact O-N 2.94Å; S311-K315 WeakPolarHBondContact O-CB 3.19Å; S311-K315 PolarHBondContact O-N 3.2Å; S311-V316 PolarHBondContact O-N 3.43Å
312V84.6Confident80.1Confident57 Ų5784.6 Ų84.635%0.34543%0.429SS..Iπ-helixtrans-72.4-54.7-177.61740000111.2W308 V309 V316 L317W308-V312 WeakPolarHBondContact O-CG2 3.45Å; W308-V312 PolarHBondContact O-N 3.46Å; V309-V312 PolarHBondContact O-N 3.47Å; V312-V316 PolarHBondContact O-N 3.03Å; V312-L317 HydrophobicContact CG1-CD1 3.59Å; V312-L317 HydrophobicContact CG1-CG 4.13Å; V312-L317 PolarHBondContact O-N 3.35Å
313F82.2Confident79.8Confident36 Ų3682.6 Ų82.616%0.15841%0.413CS..Iπ-helixtrans-83.1-23.4-172.2-69.2-82.9000115.1W308 V309 L317 P318 V535 V538 I539 I542W308-F313 HydrophobicContact CZ3-CE2 4.17Å; V309-F313 HydrophobicContact CB-CD2 4.43Å; V309-F313 HydrophobicContact CG1-CD2 3.82Å; V309-F313 PolarHBondContact O-N 2.86Å; F313-L317 HydrophobicContact CD1-CD1 3.38Å; F313-L317 HydrophobicContact CE1-CD1 3.51Å; F313-L317 HydrophobicContact CG-CD1 3.96Å; F313-L317 HydrophobicContact CZ-CD1 4.21Å; F313-P318 WeakPolarHBondContact O-CD 3.11Å; F313-P318 WeakPolarHBondContact O-CG 3.45Å; F313-V535 HydrophobicContact CB-CB 4.38Å; F313-V535 HydrophobicContact CB-CG1 4.07Å; F313-V535 HydrophobicContact CB-CG2 3.8Å; F313-V535 HydrophobicContact CD1-CG1 4.22Å; F313-V535 HydrophobicContact CD2-CG1 4.33Å; F313-V535 HydrophobicContact CG-CG1 3.95Å; F313-V538 HydrophobicContact CD1-CG1 4.13Å; F313-I539 HydrophobicContact CD1-CD1 4.46Å; F313-I539 HydrophobicContact CD1-CG1 3.86Å; F313-I539 HydrophobicContact CE1-CD1 4.01Å; F313-I539 HydrophobicContact CE1-CG1 3.36Å; F313-I539 HydrophobicContact CZ-CD1 4.32Å; F313-I539 HydrophobicContact CZ-CG1 4.06Å; F313-I542 HydrophobicContact CE1-CD1 4.47Å
314L77.9Confident78.9Confident29 Ų2989.1 Ų89.115%0.15243%0.434CS..Iπ-helixtrans-102.9-13.3178.9-57.1174.9000114.7M305 R310 D531 Y534 V535M305-L314 HydrophobicContact CE-CD1 4.07Å; R310-L314 HydrophobicContact CG-CD1 3.72Å; R310-L314 WeakPolarHBondContact O-CB 3.3Å; L314-D531 HydrophobicContact CD1-CB 4.32Å; L314-D531 WeakPolarHBondContact CD1-OD1 3.41Å; L314-D531 WeakPolarHBondContact CD1-OD2 3.21Å; L314-Y534 HydrophobicContact CD2-CD1 3.38Å; L314-Y534 HydrophobicContact CD2-CE1 3.9Å; L314-Y534 HydrophobicContact CD2-CG 4.34Å; L314-V535 HydrophobicContact CD2-CG2 4.15Å; L314-V535 HydrophobicContact CG-CG2 4.42Å
315K75.6Confident78Confident136 Ų13688.1 Ų88.159%0.59142%0.416SS*.Iπ-helixtrans-123.9-40.7-178.8-54.3-179.9179.4176.20114.5S311S311-K315 WeakPolarHBondContact O-CB 3.19Å; S311-K315 PolarHBondContact O-N 3.2Å
316V80Confident76.8Confident77 Ų7791.2 Ų91.247%0.46744%0.438SS..Iπ-helixtrans-87.9-59.2-175.1179.60000111.1S311 V312 R319 I320S311-V316 PolarHBondContact O-N 3.43Å; V312-V316 PolarHBondContact O-N 3.03Å; V316-R319 WeakPolarHBondContact O-CB 3.41Å; V316-R319 PolarHBondContact O-N 3.37Å; V316-R319 VanDerWaalsContact O-N 3.15Å; V316-I320 HydrophobicContact CG1-CD1 3.95Å; V316-I320 PolarHBondContact O-N 2.75Å
317L80.8Confident75.2Confident34 Ų3495.2 Ų95.218%0.17846%0.455CS..Hα-helixtrans-62.4-43.2-172.9-69.8164.8000114.1V312 F313 R319 I320 M321 V538 I542V312-L317 HydrophobicContact CG1-CD1 3.59Å; V312-L317 HydrophobicContact CG1-CG 4.13Å; V312-L317 PolarHBondContact O-N 3.35Å; F313-L317 HydrophobicContact CD1-CD1 3.38Å; F313-L317 HydrophobicContact CE1-CD1 3.51Å; F313-L317 HydrophobicContact CG-CD1 3.96Å; F313-L317 HydrophobicContact CZ-CD1 4.21Å; L317-R319 PolarHBondContact O-N 3.02Å; L317-I320 PolarHBondContact O-N 3.07Å; L317-M321 WeakPolarHBondContact O-CB 3.49Å; L317-M321 WeakPolarHBondContact O-CG 3.49Å; L317-M321 PolarHBondContact O-N 3.07Å; L317-V538 HydrophobicContact CB-CG1 3.83Å; L317-V538 HydrophobicContact CD1-CG1 4.47Å; L317-I542 HydrophobicContact CB-CD1 4.2Å; L317-I542 HydrophobicContact CD1-CD1 3.62Å; L317-I542 HydrophobicContact CD2-CD1 3.74Å; L317-I542 HydrophobicContact CG-CD1 4.05Å
318P78.1Confident73.8Confident10 Ų1094 Ų947%0.06544%0.441CS..Hα-helixtrans-61.8-29.1176.5-25.736.4000113.5F313 M321 L322 M323 Y534 V538F313-P318 WeakPolarHBondContact O-CD 3.11Å; F313-P318 WeakPolarHBondContact O-CG 3.45Å; P318-M321 CarbonylContact O-C 3.55Å; P318-L322 PolarHBondContact O-N 3.18Å; P318-M323 HydrophobicContact CB-CB 4.25Å; P318-M323 PolarHBondContact O-N 3.19Å; P318-Y534 WeakPolarHBondContact CB-OH 3.44Å; P318-Y534 HydrophobicContact CG-CE1 3.86Å; P318-V538 HydrophobicContact CG-CG2 4.17Å
319R77Confident72.2Confident208 Ų20891.9 Ų91.979%0.78544%0.442SS*.Hα-helixtrans-74.4-36.8178.1-173.1-179.6-69.1170.5-4.1111.9V316 L317 M321V316-R319 WeakPolarHBondContact O-CB 3.41Å; V316-R319 PolarHBondContact O-N 3.37Å; V316-R319 VanDerWaalsContact O-N 3.15Å; L317-R319 PolarHBondContact O-N 3.02Å; R319-M321 VanDerWaalsContact C-N 3.35Å
320I80.9Confident70.6Confident125 Ų12593.2 Ų93.264%0.64146%0.457SS*.Hα-helixtrans-67.3-39.9172.7-63.8170.6000110V316 L317V316-I320 HydrophobicContact CG1-CD1 3.95Å; V316-I320 PolarHBondContact O-N 2.75Å; L317-I320 PolarHBondContact O-N 3.07Å
321M72.4Confident69.1Low38 Ų3891.1 Ų91.119%0.18746%0.455CS..THydrogen-bonded Turntrans-88.87.1-176.7-65.5-150.375.600115.4L317 P318 R319 M323 R541 I542 W545L317-M321 WeakPolarHBondContact O-CB 3.49Å; L317-M321 WeakPolarHBondContact O-CG 3.49Å; L317-M321 PolarHBondContact O-N 3.07Å; P318-M321 CarbonylContact O-C 3.55Å; R319-M321 VanDerWaalsContact C-N 3.35Å; M321-M323 HydrophobicContact CB-CE 3.81Å; M321-M323 HydrophobicContact CB-CG 4.08Å; M321-M323 HydrophobicContact CB-SD 4.19Å; M321-M323 HydrophobicContact CE-CE 3.71Å; M321-M323 HydrophobicContact CG-CE 4.47Å; M321-M323 PolarHBondContact O-N 3.28Å; M321-M323 VanDerWaalsContact O-N 3.12Å; M321-M323 HydrophobicContact SD-CE 3.81Å; M321-R541 HydrophobicContact CE-CB 4.01Å; M321-R541 HydrophobicContact SD-CB 4.13Å; M321-I542 HydrophobicContact SD-CB 4.4Å; M321-I542 HydrophobicContact SD-CG1 3.48Å; M321-I542 WeakPolarHBondContact SD-CG1 3.44Å; M321-W545 HydrophobicContact CE-CG 4.11Å
322L74.8Confident67.5Low165 Ų16593.3 Ų93.386%0.86446%0.462SS*.THydrogen-bonded Turntrans52.829.4-177.3-63.6169.9000114.5P318P318-L322 PolarHBondContact O-N 3.18Å
323M72.1Confident65.7Low57 Ų5797.3 Ų97.328%0.28148%0.475SS..PPolyproline II helixtrans-87.4126-179.2-68.6179.9-17000112P318 M321 R541P318-M323 HydrophobicContact CB-CB 4.25Å; P318-M323 PolarHBondContact O-N 3.19Å; M321-M323 HydrophobicContact CB-CE 3.81Å; M321-M323 HydrophobicContact CB-CG 4.08Å; M321-M323 HydrophobicContact CB-SD 4.19Å; M321-M323 HydrophobicContact CE-CE 3.71Å; M321-M323 HydrophobicContact CG-CE 4.47Å; M321-M323 PolarHBondContact O-N 3.28Å; M321-M323 VanDerWaalsContact O-N 3.12Å; M321-M323 HydrophobicContact SD-CE 3.81Å; M323-R541 HydrophobicContact CE-CB 3.27Å; M323-R541 HydrophobicContact CE-CG 3.48Å; M323-R541 VanDerWaalsContact CE-CG 3.48Å; M323-R541 HydrophobicContact SD-CB 4.3Å; M323-R541 HydrophobicContact SD-CG 4.25Å
324R60.7Low64.3Low229 Ų229101.7 Ų101.786%0.86449%0.49SS*.PPolyproline II helixtrans-86.7118.4172.1-151.6173.4-165173.54.5109
325R59.3Low63.1Low107 Ų107105.3 Ų105.340%0.40451%0.51SS..PPolyproline II helixtrans-59.9128.9171.1-168.9171.8-178.3-114.76.7108.1I327 D531 Y534R325-I327 PolarHBondContact O-N 2.91Å; R325-D531 IonicContact CZ-OD1 3.18Å; R325-D531 IonicContact NE-OD1 3.78Å; R325-D531 IonicContact NH2-OD1 3.53Å; R325-D531 PolarHBondContact NH2-OD1 3.31Å; R325-Y534 HydrophobicContact CB-CE2 4.15Å; R325-Y534 HydrophobicContact CG-CD2 4.32Å; R325-Y534 HydrophobicContact CG-CE2 4Å
326P54.9Low62.2Low96 Ų96103.2 Ų103.262%0.62350%0.504SS*.PPolyproline II helixtrans-58.4132.8173.424.5-32.3000108.6
327I52.8Low60.9Low135 Ų135104.6 Ų104.669%0.69251%0.505SS*.PPolyproline II helixtrans-81.6127.2-177.1-59.9170.8000107.7R325 I329R325-I327 PolarHBondContact O-N 2.91Å; I327-I329 PolarHBondContact O-N 2.66Å
328D52Low59.9Low84 Ų84107.2 Ų107.245%0.44952%0.518SS..  trans-55.9113177-100.4-58000111.5G330 D331 L332D328-G330 PolarHBondContact O-N 2.94Å; D328-G330 VanDerWaalsContact O-N 3.12Å; D328-D331 PolarHBondContact O-N 3.46Å; D328-L332 PolarHBondContact O-N 3.46Å
329I51.3Low58.8Low124 Ų124109.5 Ų109.564%0.63654%0.535SS*.Hα-helixtrans-59.3-26174.5-60.2172.7000110I327 D331 L332 F333I327-I329 PolarHBondContact O-N 2.66Å; I329-D331 VanDerWaalsContact C-N 3.33Å; I329-D331 PolarHBondContact O-N 3.1Å; I329-L332 WeakPolarHBondContact O-CB 3.32Å; I329-L332 PolarHBondContact O-N 3.07Å; I329-F333 HydrophobicContact CG2-CD2 4.49Å; I329-F333 PolarHBondContact O-N 3Å
330G52.4Low57.8Low38 Ų38105.3 Ų105.339%0.39253%0.526SS..Hα-helixtrans-58.7-38.1171.200000113.8D328 R334D328-G330 PolarHBondContact O-N 2.94Å; D328-G330 VanDerWaalsContact O-N 3.12Å; G330-R334 WeakPolarHBondContact O-CB 3.34Å; G330-R334 PolarHBondContact O-N 2.68Å
331D50.5Low56.7Low74 Ų74105.9 Ų105.940%0.39652%0.521SS..Hα-helixtrans-78.3-30.3175.4-83.8-12.8000112.4D328 I329 R334 N335D328-D331 PolarHBondContact O-N 3.46Å; I329-D331 VanDerWaalsContact C-N 3.33Å; I329-D331 PolarHBondContact O-N 3.1Å; D331-R334 PolarHBondContact O-N 3.06Å; D331-R334 IonicContact OD1-CZ 2.78Å; D331-R334 IonicContact OD1-NE 2.71Å; D331-R334 PolarHBondContact OD1-NE 3.44Å; D331-R334 IonicContact OD1-NH2 2.86Å; D331-R334 PolarHBondContact OD1-NH2 3.27Å; D331-N335 VanDerWaalsContact O-CB 3.3Å; D331-N335 WeakPolarHBondContact O-CB 3.28Å; D331-N335 VanDerWaalsContact O-CG 3.24Å; D331-N335 PolarHBondContact O-N 3.16Å; D331-N335 PolarHBondContact O-ND2 3.44Å
332L47.3Very low56Low101 Ų101108.7 Ų108.753%0.52954%0.536SS..Hα-helixtrans-61.6-47.5168.9-165.574.2000110.5D328 I329 N335 I336D328-L332 PolarHBondContact O-N 3.46Å; I329-L332 WeakPolarHBondContact O-CB 3.32Å; I329-L332 PolarHBondContact O-N 3.07Å; L332-N335 PolarHBondContact O-N 3.18Å; L332-I336 HydrophobicContact CD2-CD1 4.43Å; L332-I336 HydrophobicContact CG-CD1 3.95Å; L332-I336 WeakPolarHBondContact O-CB 3.35Å; L332-I336 VanDerWaalsContact O-CG1 3.23Å; L332-I336 WeakPolarHBondContact O-CG1 3.43Å; L332-I336 PolarHBondContact O-N 3.37Å
333F47.7Very low55.1Low140 Ų140107.7 Ų107.761%0.61452%0.524SS*.Hα-helixtrans-65.7-37175.3-113.2-87.1000112.7I329 I336 H337I329-F333 HydrophobicContact CG2-CD2 4.49Å; I329-F333 PolarHBondContact O-N 3Å; F333-I336 PolarHBondContact O-N 3.04Å; F333-H337 WeakPolarHBondContact O-CB 3.46Å; F333-H337 PolarHBondContact O-N 3.05Å
334R52.6Low54.3Low129 Ų129111 Ų11149%0.48754%0.535SS..Hα-helixtrans-61.8-46.4174.7-145.7-174.3-43.5-75.9-0110.9G330 D331 H337 I338G330-R334 WeakPolarHBondContact O-CB 3.34Å; G330-R334 PolarHBondContact O-N 2.68Å; D331-R334 PolarHBondContact O-N 3.06Å; D331-R334 IonicContact OD1-CZ 2.78Å; D331-R334 IonicContact OD1-NE 2.71Å; D331-R334 PolarHBondContact OD1-NE 3.44Å; D331-R334 IonicContact OD1-NH2 2.86Å; D331-R334 PolarHBondContact OD1-NH2 3.27Å; R334-H337 PolarHBondContact O-N 3.18Å; R334-I338 HydrophobicContact CG-CD1 4.16Å; R334-I338 VanDerWaalsContact O-CB 3.24Å; R334-I338 WeakPolarHBondContact O-CB 3.4Å; R334-I338 WeakPolarHBondContact O-CD1 3.23Å; R334-I338 WeakPolarHBondContact O-CG1 3.48Å; R334-I338 PolarHBondContact O-N 3.16Å
335N51.2Low54Low105 Ų105103.8 Ų103.856%0.56151%0.513SS*.Hα-helixtrans-69.5-38.4178.6-71.8-35.7000112.3D331 L332 S339D331-N335 VanDerWaalsContact O-CB 3.3Å; D331-N335 WeakPolarHBondContact O-CB 3.28Å; D331-N335 VanDerWaalsContact O-CG 3.24Å; D331-N335 PolarHBondContact O-N 3.16Å; D331-N335 PolarHBondContact O-ND2 3.44Å; L332-N335 PolarHBondContact O-N 3.18Å; N335-S339 WeakPolarHBondContact O-CB 3.4Å; N335-S339 PolarHBondContact O-N 3.28Å
336I56.7Low53.7Low91 Ų91105.4 Ų105.447%0.46753%0.525SS..Hα-helixtrans-65.6-45.9173.4-70.6166.6000110.7L332 F333 S339 M340L332-I336 HydrophobicContact CD2-CD1 4.43Å; L332-I336 HydrophobicContact CG-CD1 3.95Å; L332-I336 WeakPolarHBondContact O-CB 3.35Å; L332-I336 VanDerWaalsContact O-CG1 3.23Å; L332-I336 WeakPolarHBondContact O-CG1 3.43Å; L332-I336 PolarHBondContact O-N 3.37Å; F333-I336 PolarHBondContact O-N 3.04Å; I336-S339 PolarHBondContact O-N 2.93Å; I336-M340 VanDerWaalsContact O-CB 3.3Å; I336-M340 WeakPolarHBondContact O-CB 3.3Å; I336-M340 PolarHBondContact O-N 3.47Å
337H53.7Low53.5Low106 Ų106109 Ų10949%0.49154%0.536SS..Hα-helixtrans-69.4-39.2-179.3-161.7-71.8000111.7F333 R334 M340 Y341F333-H337 WeakPolarHBondContact O-CB 3.46Å; F333-H337 PolarHBondContact O-N 3.05Å; R334-H337 PolarHBondContact O-N 3.18Å; H337-M340 PolarHBondContact O-N 3.09Å; H337-Y341 VanDerWaalsContact O-CB 3.27Å; H337-Y341 WeakPolarHBondContact O-CB 3.38Å; H337-Y341 PolarHBondContact O-N 3.12Å
338I60.4Low53.2Low89 Ų89109 Ų10946%0.45653%0.531SS..Hα-helixtrans-63.7-43.9171.9-72.4167.5000110.5R334 Y341 L342R334-I338 HydrophobicContact CG-CD1 4.16Å; R334-I338 VanDerWaalsContact O-CB 3.24Å; R334-I338 WeakPolarHBondContact O-CB 3.4Å; R334-I338 WeakPolarHBondContact O-CD1 3.23Å; R334-I338 WeakPolarHBondContact O-CG1 3.48Å; R334-I338 PolarHBondContact O-N 3.16Å; I338-Y341 PolarHBondContact O-N 3.06Å; I338-L342 HydrophobicContact CG2-CD1 3.9Å; I338-L342 VanDerWaalsContact O-CB 3.32Å; I338-L342 WeakPolarHBondContact O-CB 3.33Å; I338-L342 PolarHBondContact O-N 3.37Å
339S54.3Low53.1Low59 Ų59112 Ų11241%0.41354%0.54SS..Hα-helixtrans-62.4-42.1175.7179.50000112.5N335 I336 L342 K343N335-S339 WeakPolarHBondContact O-CB 3.4Å; N335-S339 PolarHBondContact O-N 3.28Å; I336-S339 PolarHBondContact O-N 2.93Å; S339-L342 PolarHBondContact O-N 2.84Å; S339-K343 WeakPolarHBondContact O-CB 3.34Å; S339-K343 WeakPolarHBondContact O-CG 3.31Å; S339-K343 PolarHBondContact O-N 3.5Å
340M54.9Low52.6Low120 Ų120108.3 Ų108.359%0.59153%0.533SS*.Hα-helixtrans-68.5-38.5177-163.6178.680.300111.6I336 H337 Y344I336-M340 VanDerWaalsContact O-CB 3.3Å; I336-M340 WeakPolarHBondContact O-CB 3.3Å; I336-M340 PolarHBondContact O-N 3.47Å; H337-M340 PolarHBondContact O-N 3.09Å; M340-Y344 VanDerWaalsContact O-CB 3.32Å; M340-Y344 WeakPolarHBondContact O-CB 3.47Å; M340-Y344 PolarHBondContact O-N 3.29Å
341Y58.9Low52.1Low137 Ų137113 Ų11354%0.53756%0.557SS.*Hα-helixtrans-72.3-35.5176.2-144.9-96.3000112.2H337 I338 Y344 L345H337-Y341 VanDerWaalsContact O-CB 3.27Å; H337-Y341 WeakPolarHBondContact O-CB 3.38Å; H337-Y341 PolarHBondContact O-N 3.12Å; I338-Y341 PolarHBondContact O-N 3.06Å; Y341-Y344 PolarHBondContact O-N 3.26Å; Y341-L345 HydrophobicContact CD1-CD1 3.74Å; Y341-L345 HydrophobicContact CD1-CG 4.35Å; Y341-L345 HydrophobicContact CE1-CD1 4.09Å; Y341-L345 WeakPolarHBondContact O-CB 3.44Å; Y341-L345 WeakPolarHBondContact O-CG 3.33Å; Y341-L345 PolarHBondContact O-N 3.08Å
342L57Low51.3Low97 Ų97115.8 Ų115.851%0.50858%0.576SS.*Hα-helixtrans-64.2-45.2170.6-99.6153.8000111.6I338 S339 Y344 L345 Q346I338-L342 HydrophobicContact CG2-CD1 3.9Å; I338-L342 VanDerWaalsContact O-CB 3.32Å; I338-L342 WeakPolarHBondContact O-CB 3.33Å; I338-L342 PolarHBondContact O-N 3.37Å; S339-L342 PolarHBondContact O-N 2.84Å; L342-Y344 VanDerWaalsContact C-N 3.35Å; L342-Y344 PolarHBondContact O-N 3.27Å; L342-L345 PolarHBondContact O-N 3.08Å; L342-Q346 WeakPolarHBondContact O-CB 3.5Å; L342-Q346 WeakPolarHBondContact O-CG 3.49Å; L342-Q346 PolarHBondContact O-N 3.47Å
343K56.3Low51Low143 Ų143117.1 Ų117.162%0.62259%0.589SS**Hα-helixtrans-61.7-41.7172.6-78.3-176.7175.3-176.40111.9S339 Q346 M347S339-K343 WeakPolarHBondContact O-CB 3.34Å; S339-K343 WeakPolarHBondContact O-CG 3.31Å; S339-K343 PolarHBondContact O-N 3.5Å; K343-Q346 PolarHBondContact O-N 3.47Å; K343-M347 WeakPolarHBondContact O-CB 3.47Å; K343-M347 PolarHBondContact O-N 2.93Å
344Y54.7Low50.7Low126 Ų126117.2 Ų117.249%0.49459%0.594SS.*Hα-helixtrans-64.3-39.3175.7-173.4-96.6000112.1M340 Y341 L342 M347 K348M340-Y344 VanDerWaalsContact O-CB 3.32Å; M340-Y344 WeakPolarHBondContact O-CB 3.47Å; M340-Y344 PolarHBondContact O-N 3.29Å; Y341-Y344 PolarHBondContact O-N 3.26Å; L342-Y344 VanDerWaalsContact C-N 3.35Å; L342-Y344 PolarHBondContact O-N 3.27Å; Y344-M347 PolarHBondContact O-N 3.01Å; Y344-K348 HydrophobicContact CE1-CD 3.73Å; Y344-K348 VanDerWaalsContact O-CB 3.3Å; Y344-K348 WeakPolarHBondContact O-CB 3.28Å; Y344-K348 PolarHBondContact O-N 3.02Å; Y344-K348 PolarHBondContact OH-NZ 3.16Å
345L55.1Low49.5Very low78 Ų78121.8 Ų121.841%0.40861%0.613SS.*Hα-helixtrans-67.6-46.1174.6-83.6161.9000112.3Y341 L342 M347 K348 F349Y341-L345 HydrophobicContact CD1-CD1 3.74Å; Y341-L345 HydrophobicContact CD1-CG 4.35Å; Y341-L345 HydrophobicContact CE1-CD1 4.09Å; Y341-L345 WeakPolarHBondContact O-CB 3.44Å; Y341-L345 WeakPolarHBondContact O-CG 3.33Å; Y341-L345 PolarHBondContact O-N 3.08Å; L342-L345 PolarHBondContact O-N 3.08Å; L345-M347 PolarHBondContact O-N 2.66Å; L345-K348 PolarHBondContact O-N 3.06Å; L345-K348 VanDerWaalsContact O-N 3.16Å; L345-F349 HydrophobicContact CD2-CD2 4.16Å; L345-F349 HydrophobicContact CD2-CE2 4.38Å; L345-F349 PolarHBondContact O-N 2.88Å
346Q53.3Low48.6Very low142 Ų142126.3 Ų126.366%0.66463%0.631SS**Hα-helixtrans-61.5-26.7173.7-73.8-173.1-68.400113.2L342 K343L342-Q346 WeakPolarHBondContact O-CB 3.5Å; L342-Q346 WeakPolarHBondContact O-CG 3.49Å; L342-Q346 PolarHBondContact O-N 3.47Å; K343-Q346 PolarHBondContact O-N 3.47Å
347M50.7Low47.3Very low171 Ų171132.1 Ų132.184%0.84265%0.653SS**Hα-helixtrans-85.6-21.1178-169.6173.7179.400113K343 Y344 L345K343-M347 WeakPolarHBondContact O-CB 3.47Å; K343-M347 PolarHBondContact O-N 2.93Å; Y344-M347 PolarHBondContact O-N 3.01Å; L345-M347 PolarHBondContact O-N 2.66Å
348K45.3Very low46.3Very low136 Ų136131.3 Ų131.359%0.59166%0.664SS**Hα-helixtrans-104.8-24.6-176.8-156.3171.4-169.1175.70113.7Y344 L345Y344-K348 HydrophobicContact CE1-CD 3.73Å; Y344-K348 VanDerWaalsContact O-CB 3.3Å; Y344-K348 WeakPolarHBondContact O-CB 3.28Å; Y344-K348 PolarHBondContact O-N 3.02Å; Y344-K348 PolarHBondContact OH-NZ 3.16Å; L345-K348 PolarHBondContact O-N 3.06Å; L345-K348 VanDerWaalsContact O-N 3.16Å
349F50.3Low44.9Very low145 Ų145133.5 Ų133.564%0.63668%0.681SS**SBendtrans-119.6109.1166.2-67.4-89.3000107.6L345L345-F349 HydrophobicContact CD2-CD2 4.16Å; L345-F349 HydrophobicContact CD2-CE2 4.38Å; L345-F349 PolarHBondContact O-N 2.88Å
350G40.9Very low43.7Very low48 Ų48137.6 Ų137.650%0.49570%0.704SS.*  trans-60.3169.6177.200000112.5T352G350-T352 PolarHBondContact O-N 3.35Å; G350-T352 PolarHBondContact O-OG1 3Å
351P42Very low42.2Very low137 Ų137141 Ų14189%0.8972%0.716SS**  trans-67.988.8-168.728.9-36.3000112.2T353P351-T353 PolarHBondContact O-N 2.93Å
352T35Very low40.5Very low131 Ų131143.2 Ų143.280%0.80473%0.731SS**  trans-84.5108.9167.423.50000109.7G350G350-T352 PolarHBondContact O-N 3.35Å; G350-T352 PolarHBondContact O-OG1 3Å
353T39.7Very low38.9Very low130 Ų130144.9 Ų144.980%0.79875%0.746SS**  trans-50.6149.6174.4-380000112.2P351P351-T353 PolarHBondContact O-N 2.93Å
354I41.7Very low37.2Very low142 Ų142148.2 Ų148.273%0.72876%0.76SS**  trans109.5135.1175.4-57.7157.1000112.4
355Y28.1Very low35.6Very low225 Ų225150.6 Ų150.688%0.88278%0.776SS**  trans75.653-168.6-64.9-73.7000117.8
356Q31.5Very low34Very low199 Ų199150.8 Ų150.893%0.9378%0.784SS**  trans-118.170.2156.9-157.81665.800110.2
357K30.5Very low32.6Very low214 Ų214154.5 Ų154.593%0.9379%0.793SS**  trans-14741.4177-126.1179.6-172.3-178.60114.8
358A31Very low31.2Very low88 Ų88151.4 Ų151.473%0.72779%0.788SS**SBendtrans-173.6120.4157.300000103.2
359V30.7Very low30Very low135 Ų135153.8 Ų153.882%0.81880%0.798SS**  cis-143.6117.840.8173.10000109.7
360T29.8Very low29Very low146 Ų146152.1 Ų152.190%0.89680%0.802SS**  trans-138.878167.4280000110
361K24Very low28.1Very low191 Ų191156.1 Ų156.183%0.8382%0.817SS**  trans-162.698.5163.6-128.4179.1-177.7-176.80112.5
362Q23.5Very low27.3Very low183 Ų183154 Ų15486%0.85581%0.811SS**  trans161.285.3143.8-91.9171.3-33.400107.4
363T23.4Very low26.8Very low133 Ų133151.9 Ų151.982%0.81681%0.807SS**  5911192.356.90000113.9
364F19.8Very low26Very low212 Ų212153.1 Ų153.193%0.9381%0.809SS**  trans-110.2121.7168.7-139-88.7000107.6
365E21.6Very low25Very low177 Ų177151.1 Ų151.183%0.82781%0.807SS**  trans-117.8151.2161.4-86-175.615200105.2
366S21.3Very low25.4Very low82 Ų82145 Ų14557%0.57380%0.795SS**  cis-175.4162.2-1.750.30000109.7
367Y22.9Very low25Very low219 Ų219144.6 Ų144.686%0.85979%0.793SS**  trans54.4153.1156.3-59.4-56.3000120.9
368C21.2Very low24.6Very low107 Ų107142.8 Ų142.872%0.72379%0.787SS**  cis-161.1166.2-27.8-131.60000111.6
369F20.8Very low24.6Very low185 Ų185143 Ų14381%0.81178%0.781SS**  trans-29.8171.4167.8-82.1-96.4000120.4
370P30.4Very low24.3Very low110 Ų110144.5 Ų144.571%0.71478%0.784SS**  cis-127.4-168.521.637.7-15.6000115.3
371T22.3Very low23.9Very low132 Ų132140.8 Ų140.881%0.8177%0.768SS**  cis-151.4-160.317.6-26.40000112.9
372A24.7Very low23.9Very low93 Ų93139.8 Ų139.877%0.76977%0.766SS**  trans-91.9167.3-179.700000113
373A23.1Very low23.8Very low87 Ų87139.1 Ų139.172%0.71976%0.762SS**  cis-153.2-166.26.800000108.9
374D22.9Very low23.8Very low156 Ų156141 Ų14183%0.83476%0.764SS**  cis-154.3-149.20.7-146.3-58.2000111.1
375S21.8Very low24.2Very low100 Ų100136.7 Ų136.770%0.69976%0.758SS**  trans-148.7-174.9-176.8-119.50000113.3
376P35.8Very low24.2Very low95 Ų95133.6 Ų133.662%0.61776%0.755SS**  cis-126.1-174-46.433.4-15.4000111.6
377H23.7Very low24.2Very low191 Ų191136 Ų13688%0.88477%0.77SS**  trans171.9152.5132.9-90.5-66.1000113.8
378H21.4Very low24.2Very low176 Ų176136 Ų13682%0.81577%0.769SS**  trans-104.3-173.2-177.9-121.1-71.1000109.6
379P32Very low24.4Very low92 Ų92138.3 Ų138.360%0.59777%0.769SS**  cis-141.2176.5-13.440.7-22.7000116.8
380L23.3Very low24.5Very low168 Ų168136.8 Ų136.888%0.8878%0.775SS**  trans61.4155.4146.6-73162.8000118.7
381A22.8Very low24.1Very low68 Ų68139.2 Ų139.256%0.56278%0.779SS**  cis-162.9169.112.900000112.9
382H22.9Very low24.2Very low170 Ų170138.8 Ų138.879%0.78777%0.772SS**  trans57.1152.4151.9-67.1-71.5000120.8
383Q22.7Very low24.2Very low168 Ų168143.4 Ų143.479%0.78578%0.777SS**  cis-162.8150.9-24.5-175.2161.2-10.100109.2
384M23.1Very low24.4Very low174 Ų174144 Ų14486%0.85778%0.782SS**  trans-70.4160.4-178.9-121.4176.4-174.600113
385P28.7Very low24.5Very low121 Ų121146 Ų14679%0.78678%0.784SS**  -151.1156.291.839.1-21.6000118.9
386S21.3Very low24.7Very low111 Ų111145.7 Ų145.778%0.77679%0.787SS**  trans64.5108.5146-158.70000120.9
387C20Very low24.1Very low132 Ų132148.4 Ų148.489%0.89280%0.796SS**  trans-146.5120.1138.5-167.20000109.5
388R23.5Very low24.2Very low220 Ų220145.2 Ų145.283%0.8379%0.789SS**  trans-118.397173-166.1177.1-165.5-177.77.9111.3
389Q24.6Very low24.3Very low156 Ų156144.8 Ų144.873%0.72979%0.793SS**  trans46.3103.9140.3-59.5172.4-48.800118.4
390T22.9Very low24Very low152 Ų152151.6 Ų151.693%0.93381%0.807SS**  -123.8167.7129.644.60000109.9
391M22.7Very low23.9Very low162 Ų162149.5 Ų149.580%0.79880%0.804SS**  trans-79.1153.9-153.4-100159.161.100117.3
392N24.2Very low23.9Very low123 Ų123154.5 Ų154.566%0.65881%0.814SS**  trans93.5131.1136.4-76.3-4.4000123.4
393Q25.8Very low23.8Very low189 Ų189153 Ų15388%0.88382%0.82SS**  trans83.3132.7145.9-74.1176.7-12.100120.1
394A26.4Very low23.8Very low100 Ų100151.5 Ų151.583%0.82681%0.814SS**PPolyproline II helixtrans-84.8146-167.300000112.1A396A394-A396 PolarHBondContact O-N 3.49Å
395K25.3Very low23.7Very low198 Ų198150 Ų15086%0.86181%0.814SS**PPolyproline II helixtrans-68125.6167.5-68.9177.7175.5-1800109.8
396A25.5Very low23.4Very low93 Ų93153 Ų15377%0.76982%0.818SS**PPolyproline II helixtrans-76.1138.5147.900000108.2A394A394-A396 PolarHBondContact O-N 3.49Å
397L24.5Very low23.4Very low153 Ų153152.8 Ų152.880%0.80182%0.817SS**  trans-151.394.9158.7-117.8169.4000109.4
398T25.1Very low23.6Very low123 Ų123150.7 Ų150.776%0.75581%0.809SS**PPolyproline II helixtrans-65127.8159.9-33.50000107.7
399L24Very low23.4Very low168 Ų168148.2 Ų148.288%0.8881%0.812SS**PPolyproline II helixtrans-83.8128.8175.3-116.2149.5000109.6
400W24.6Very low23.2Very low235 Ų235145.7 Ų145.789%0.8981%0.812SS**PPolyproline II helixtrans-85.5149.4170.5-97.260.2000110.6
401C21.4Very low23.5Very low123 Ų123143.6 Ų143.683%0.83180%0.8SS**PPolyproline II helixtrans-74.1149.9163.3-83.90000111.1
402F22Very low23.5Very low173 Ų173141.4 Ų141.476%0.75980%0.796SS**PPolyproline II helixtrans-74.7145.3169.5-123.7-112.6000111E404F402-E404 HydrophobicContact CD1-CB 4.13Å; F402-E404 HydrophobicContact CE1-CB 4.28Å; F402-E404 HydrophobicContact CE1-CG 4.23Å
403C21.7Very low23.4Very low138 Ų138142.2 Ų142.293%0.93280%0.801SS**  trans-149144.5139-157.10000107.9
404E22.5Very low23.3Very low138 Ų138139.2 Ų139.265%0.64580%0.795SS**  trans-125.6133.9-152.5-171.3166.8-140.300110.3F402F402-E404 HydrophobicContact CD1-CB 4.13Å; F402-E404 HydrophobicContact CE1-CB 4.28Å; F402-E404 HydrophobicContact CE1-CG 4.23Å
405T21.7Very low23.1Very low142 Ų142140.3 Ų140.387%0.87179%0.791SS**  trans-145.8102.7167.352.70000110.4
406E22.4Very low23Very low184 Ų184138.7 Ų138.786%0.8679%0.786SS**  trans-66.8162152-78.6-173.8129.800109.8
407S21.5Very low22.8Very low107 Ų107140.7 Ų140.775%0.74878%0.784SS**  cis-157.214810.949.30000113.2
408A22.2Very low22.8Very low88 Ų88143.9 Ų143.973%0.72779%0.785SS**  trans78.3149.4133.600000124.7
409D19.8Very low22.6Very low167 Ų167145.2 Ų145.289%0.89379%0.787SS**  trans82.2137.6159.8-67-10.4000123.6
410S20.1Very low22.6Very low104 Ų104143.2 Ų143.273%0.72778%0.781SS**  trans-136-178.5-178.366.40000106.5
411P30.6Very low22.6Very low107 Ų107138.9 Ų138.970%0.69578%0.781SS**  cis-145.9-164.310.426.92.4000115.2
412V23Very low22.6Very low117 Ų117139 Ų13971%0.70978%0.783SS**  trans85.5122.5150.8-163.70000122.2
413D21.5Very low22.7Very low140 Ų140140.6 Ų140.675%0.74978%0.784SS**  trans53.7122.8145.6-62.4-16.8000128.7
414V23Very low22.8Very low125 Ų125144.2 Ų144.276%0.75878%0.778SS**  59.7121.6122.3-1680000121.1
415V22.3Very low22.7Very low124 Ų124148.3 Ų148.375%0.75279%0.787SS**  163.4134.2122163.20000110.5
416Q23.4Very low22.8Very low163 Ų163150.6 Ų150.676%0.76279%0.786SS**  trans7.3159.1153.8-70.5-168.7-2100122.6
417L22.1Very low22.7Very low136 Ų136145.1 Ų145.171%0.71278%0.779SS**  cis-161.317329.3-133.2150.6000112.5
418R24.1Very low22.8Very low219 Ų219148 Ų14883%0.82678%0.778SS**  trans-49.7158.4174.9-63.4166.4166.1173.5-4.9115.1
419L21.5Very low22.9Very low152 Ų152148.9 Ų148.980%0.79677%0.774SS**  -172126.1107.7-97.2162.1000116.2
420T23Very low23.1Very low125 Ų125146.5 Ų146.577%0.76777%0.766SS**  trans33.612914645.90000124.3
421V25.6Very low23.3Very low145 Ų145146.6 Ų146.688%0.87977%0.766SS**  trans-86.1135.9152.41720000110.8
422S21.6Very low23Very low124 Ų124148.8 Ų148.887%0.86777%0.768SS**  trans-163.1176.1146.1-157.60000112.7
423R23.4Very low23Very low208 Ų208149.7 Ų149.779%0.78577%0.766SS**  trans-140149.3-149.5-163.7-171.3-176.3-177.53.7113.2
424R23.2Very low23.1Very low213 Ų213147.3 Ų147.380%0.80476%0.76SS**  trans79.4155.8174.4-51.6-178.6167.9171.8-5.5114.2
425R21.6Very low23.1Very low224 Ų224147 Ų14785%0.84575%0.754SS**  cis-159.8143.830.7171.7179.5-98174.6-7.6114.5
426F22.5Very low23.1Very low191 Ų191148.8 Ų148.884%0.83875%0.754SS**  trans14.1147.2149.9-93.8-102.6000125.6F428F426-F428 HydrophobicContact CD1-CD2 4.2Å; F426-F428 HydrophobicContact CD1-CE2 4.24Å
427G21.1Very low23.1Very low69 Ų69147.8 Ų147.871%0.71176%0.759SS**  trans-179.7100.214700000110.8
428F22.7Very low23.1Very low167 Ų167144.9 Ų144.973%0.73276%0.761SS**  78.7104.989.5-94.1-106.1000114.9F426F426-F428 HydrophobicContact CD1-CD2 4.2Å; F426-F428 HydrophobicContact CD1-CE2 4.24Å
429T24.3Very low23Very low107 Ų107138.4 Ų138.466%0.65676%0.763SS**  91.9158.190.353.80000114
430T25.4Very low23Very low116 Ų116134.9 Ų134.971%0.71276%0.764SS**  cis-173.2155.9-5.9230000110.8
431S23.1Very low23.1Very low106 Ų106134.5 Ų134.574%0.74177%0.766SS**  trans-175.5109.313054.80000108.2
432E24.8Very low23Very low154 Ų154134.3 Ų134.372%0.7276%0.759SS**  72.1139.780.1-71.6-172.3150.900113.1
433M23Very low23Very low136 Ų136134.8 Ų134.867%0.6775%0.752SS**  cis-159.3142.121.9-161.362.2101.600113
434S22.8Very low22.9Very low90 Ų90130.5 Ų130.563%0.62975%0.752SS**  trans46.4155.9143.5-65.70000125
435D23Very low23Very low117 Ų117127.4 Ų127.463%0.62675%0.751SS**  cis-160.9158.7-17.4-113.3-47.1000113.5
436Q22.4Very low23Very low163 Ų163124.8 Ų124.876%0.76275%0.748SS**  trans16.7145.6145.4-65.3165.852.700121.3
437V23.6Very low23Very low142 Ų142122.1 Ų122.186%0.86175%0.748SS**  -157.5158.463.7162.70000110.2
438G22.2Very low23.1Very low74 Ų74123.5 Ų123.576%0.76375%0.752SS**  trans-119.8-171.3-173.700000116.8
439G22.4Very low23.2Very low84 Ų84119.1 Ų119.187%0.86675%0.754SS**  trans120.4131.5160.900000117.6
440G22.5Very low23.2Very low78 Ų78121.5 Ų121.580%0.80476%0.763SS**  trans89.3101.5137.100000121.3
441S23.1Very low23.3Very low116 Ų116120.1 Ų120.181%0.81176%0.758SS**  trans27.2148.8132.1-108.50000125.3
442L25.1Very low23.5Very low141 Ų141124 Ų12474%0.73876%0.761SS**  trans88.1119.3151.3-97.980.8000122.2
443N21.7Very low23.6Very low135 Ų135124 Ų12472%0.72277%0.766SS**  trans60.7122.9131.1-63.60.5000124.3
444C21.6Very low23.8Very low117 Ų117122.4 Ų122.479%0.79177%0.774SS**  trans28.5133.9130.9-530000122.8
445L23.3Very low23.9Very low148 Ų148122.4 Ų122.478%0.77578%0.78SS**  133.3122.2113.6-149.379000116
446E22Very low24Very low169 Ų169124.4 Ų124.479%0.7979%0.787SS**  trans62.8163.8145.3-81.8-178.8141.300126.5
447V22.9Very low24.2Very low135 Ų135125 Ų12582%0.81879%0.79SS**  trans96105171.6-170.80000114
448A23.2Very low24.3Very low98 Ų98122 Ų12281%0.8179%0.787SS**  cis89.8129.527.500000116
449G24.2Very low24.5Very low75 Ų75124.3 Ų124.377%0.77379%0.791SS**  trans104.1138.4170.200000115.9
450D25.2Very low24.7Very low158 Ų158126.8 Ų126.885%0.84579%0.789SS**  cis-158.5171.2-15.1-145.2-30.6000112.6
451S27.1Very low24.9Very low86 Ų86126.8 Ų126.860%0.60179%0.789SS**  trans-69.9161.6-172.352.20000116.1
452K27.7Very low25.2Very low188 Ų188131.6 Ų131.682%0.81780%0.795SS**  174.5167.280.4-87.4-171.7-175.6171.50109.6
453L27.5Very low25.2Very low154 Ų154134.9 Ų134.981%0.80680%0.803SS**  cis-175.6135.9-17.5173.478.3000107.9
454A25.6Very low25.4Very low102 Ų102134.2 Ų134.284%0.84381%0.808SS**  trans-163.3145.4150.700000109.3
455A26Very low26.1Very low91 Ų91134.4 Ų134.475%0.75281%0.808SS**  trans-139.2149-170.700000112.8
456M24.6Very low26.2Very low159 Ų159132.8 Ų132.878%0.78381%0.808SS**  -173.6136.9118.6-105.1-170.7145.600113.9
457E26.2Very low26.9Very low176 Ų176130.2 Ų130.282%0.82281%0.806SS**  trans59.4135.6146.3-59.9-175.6158.900123
458G25.5Very low26.9Very low78 Ų78129.2 Ų129.280%0.80480%0.804SS**  trans14674168.300000116.2T460G458-T460 PolarHBondContact O-N 3.27Å
459C26.5Very low27Very low123 Ų123132.4 Ų132.483%0.83180%0.802SS**  trans-50118.6-169.7-65.50000119.2
460T27.1Very low26.9Very low135 Ų135135.8 Ų135.883%0.82880%0.797SS**  trans41.6118.3130.360.50000121.3G458G458-T460 PolarHBondContact O-N 3.27Å
461G27.3Very low26.9Very low78 Ų78133.6 Ų133.680%0.80479%0.789SS**  trans-95-165.4171.200000116
462K28.9Very low26.7Very low217 Ų217139.2 Ų139.294%0.94380%0.797SS**  trans-135.2134.2172.5-75.5-176.2176.21780111.9
463K26.1Very low26.4Very low210 Ų210136.3 Ų136.391%0.91379%0.786SS**  trans-97157.2161.4-74.1179.9174177.40109.7
464C25.1Very low26.1Very low122 Ų122135.1 Ų135.182%0.82479%0.785SS**  trans-62.1170.6156.1-60.10000110.8
465P35.3Very low26.2Very low121 Ų121135 Ų13579%0.78678%0.776SS**  cis-141.2-167.120.539-15.9000117
466C26.5Very low26.1Very low114 Ų114139.1 Ų139.177%0.7778%0.78SS**  trans-44.1169.1175-44.60000115.9
467P35.9Very low26Very low114 Ų114137.2 Ų137.274%0.7478%0.777SS**  cis-152.4175.127.943.6-21.6000120.7
468C23.9Very low26.4Very low115 Ų115134 Ų13478%0.77777%0.772SS**  trans53.9131.6146.8-65.10000125.9
469Q24.6Very low26.3Very low164 Ų164138.7 Ų138.777%0.76677%0.773SS**  trans100.9139.8131.9-117170.8-44.400123.6
470H22.8Very low26.2Very low147 Ų147137.3 Ų137.368%0.68177%0.765SS**  trans82.7101157.9-77.4-72.7000124.6
471V24.5Very low26Very low111 Ų111135.7 Ų135.767%0.67377%0.765SS**  60.5124.2104.7171.50000122.4
472R22.6Very low25.9Very low205 Ų205142.1 Ų142.177%0.77477%0.771SS**  trans69.7153.5151.3-87.8174.5153.5148.1-7.3119.3
473E21.9Very low25.8Very low127 Ų127138 Ų13859%0.59376%0.763SS**  cis-160.7142.9-4.5-141.6149.5-157.200111.7
474T20.6Very low26Very low128 Ų128134.1 Ų134.179%0.78576%0.76SS**  trans56.2172.7149.647.30000122.2
475P29.3Very low26Very low100 Ų100131.5 Ų131.565%0.64975%0.753SS**  cis-131.2163-14.818.16.8000116.9
476E22Very low25.5Very low177 Ų177134.8 Ų134.883%0.82776%0.758SS**  trans51.6153.3136.6-61.5-179.8-172.400123.5
477T23.5Very low25.4Very low119 Ų119137.1 Ų137.173%0.7376%0.762SS**  cis-167.6-162.3-1237.20000107.8
478P35.6Very low24.9Very low109 Ų109136.3 Ų136.371%0.70876%0.759SS**  -129.4176.7-70.739.6-24.4000114.7
479E22.5Very low25.6Very low176 Ų176135.8 Ų135.882%0.82275%0.754SS**  -173.5141.7124.2-106.5-152.4105.400117.5
480S23.5Very low25.8Very low95 Ų95136.5 Ų136.566%0.66476%0.758SS**  trans62.582.5142.4-67.90000125.3
481A23.6Very low26Very low100 Ų100136.6 Ų136.683%0.82676%0.763SS**  36.2133.5117.900000125.4
482K24.6Very low26.7Very low214 Ų214139 Ų13993%0.9377%0.77SS**  -162.7164.7125.7-121.9171.5-175.41720115.1
483V26.9Very low27.4Very low129 Ų129136.5 Ų136.578%0.78277%0.772SS**  trans-119.6151.4-161.7-177.50000112.2
484P30.3Very low28.1Very low130 Ų130136.8 Ų136.884%0.84478%0.783SS**  -139.5170.4113.531.4-14.2000112.4
485G26.2Very low28.9Very low67 Ų67137.1 Ų137.169%0.69179%0.785SS**  cis138.782.31.200000113.7
486Q23.7Very low29.2Very low189 Ų189141 Ų14188%0.88380%0.796SS**  trans36.9119.7162.1-68169.9-59.500121.2
487L24.9Very low29.9Very low164 Ų164136.8 Ų136.886%0.85979%0.792SS**  65.1132.690.6-131.881.2000114.2
488S24.8Very low30.6Very low96 Ų96138.3 Ų138.367%0.67179%0.789SS**  cis-177.1-17037.2-158.80000109.4
489P40Very low30.9Very low105 Ų105138.1 Ų138.168%0.68279%0.79SS**  -123.1168.6-62.433.6-18.2000114.2
490Q27.3Very low32.3Very low179 Ų179136.4 Ų136.484%0.83679%0.791SS**  -173.2150.3123.6-102.8170.233.200113
491N27.6Very low33.9Very low148 Ų148133.8 Ų133.879%0.79177%0.771SS**  trans69.366.4171.1-60.7-10.8000118.7
492I38.6Very low35.5Very low161 Ų161131.4 Ų131.483%0.82675%0.748SS**  trans-62121.8144.8-61.9163.4000108
493N38.6Very low37.6Very low153 Ų153125.9 Ų125.982%0.81873%0.734SS**  trans176.436.2148.4-91.1-13.5000116.2
494T36.3Very low39.5Very low133 Ų133125.7 Ų125.782%0.81673%0.725SS**SBendtrans-138.88174.9-18.20000115.9
495V36.8Very low41.4Very low135 Ų135122.9 Ų122.982%0.81871%0.705SS**SBendtrans-96.9-12.3-173.7-177.50000113.3A497V495-A497 VanDerWaalsContact C-N 3.31Å; V495-A497 PolarHBondContact O-N 3.48Å
496M36.5Very low43.5Very low182 Ų182126.1 Ų126.190%0.89770%0.696SS**THydrogen-bonded Turntrans-90.340-176.8-73.3-77.5-81.900114.1
497A37Very low45.9Very low89 Ų89123.7 Ų123.774%0.73669%0.685SS**THydrogen-bonded Turntrans-137.417.1177.700000114.4V495V495-A497 VanDerWaalsContact C-N 3.31Å; V495-A497 PolarHBondContact O-N 3.48Å
498F37.9Very low48.2Very low151 Ų151118.2 Ų118.266%0.66266%0.663SS**SBendtrans-124.66.4-176-120.3-87.8000115.3
499S41.8Very low50.8Low104 Ų104118 Ų11873%0.72765%0.654SS**SBendtrans-90-3.2-175.848.40000115.2
500V50.8Low52.6Low141 Ų141119.5 Ų119.586%0.85565%0.652SS**  trans-125.477.2175-169.60000110.1
501V57.4Low54.9Low40 Ų40113.7 Ų113.724%0.24263%0.631CS.*  trans-133.1114.4168-174.10000106.3V505 R506 I509V501-V505 HydrophobicContact CG1-CB 3.66Å; V501-V505 HydrophobicContact CG1-CG1 3.54Å; V501-R506 HydrophobicContact CB-CG 4.17Å; V501-R506 HydrophobicContact CG1-CG 3.67Å; V501-I509 HydrophobicContact CG1-CD1 4.34Å
502S56.8Low57.5Low49 Ų49111.2 Ų111.234%0.34362%0.621SS.*  trans-61.8156.218081.70000110.7E504 V505 R506S502-E504 WeakPolarHBondContact CB-OE2 3.44Å; S502-E504 PolarHBondContact O-N 2.98Å; S502-E504 PolarHBondContact OG-OE2 3.5Å; S502-V505 PolarHBondContact O-N 2.91Å; S502-V505 WeakPolarHBondContact OG-CG2 3.42Å; S502-V505 PolarHBondContact OG-N 3.47Å; S502-R506 PolarHBondContact O-N 3.22Å; S502-R506 VanDerWaalsContact O-N 3.08Å
503P69.4Low59.4Low99 Ų99109.3 Ų109.364%0.64361%0.607SS**Hα-helixtrans-57.8-34.8-179.322.6-32.8000112.5V505 R506 Q507P503-V505 PolarHBondContact O-N 3.26Å; P503-R506 PolarHBondContact O-N 3.39Å; P503-Q507 PolarHBondContact O-N 2.74Å; P503-Q507 VanDerWaalsContact O-N 3.09Å
504E67.3Low61.6Low124 Ų124109.3 Ų109.358%0.57960%0.596SS**Hα-helixtrans-65.4-39176.2-47.287.2174.700111.8S502 Q507 A508S502-E504 WeakPolarHBondContact CB-OE2 3.44Å; S502-E504 PolarHBondContact O-N 2.98Å; S502-E504 PolarHBondContact OG-OE2 3.5Å; E504-Q507 PolarHBondContact O-N 3.27Å; E504-A508 WeakPolarHBondContact O-CB 3.44Å; E504-A508 PolarHBondContact O-N 3.12Å
505V70.4Confident63.7Low71 Ų71107.3 Ų107.343%0.4358%0.58SS.*Hα-helixtrans-71.2-33.7179.2179.70000111.3V501 S502 P503 A508 I509V501-V505 HydrophobicContact CG1-CB 3.66Å; V501-V505 HydrophobicContact CG1-CG1 3.54Å; S502-V505 PolarHBondContact O-N 2.91Å; S502-V505 WeakPolarHBondContact OG-CG2 3.42Å; S502-V505 PolarHBondContact OG-N 3.47Å; P503-V505 PolarHBondContact O-N 3.26Å; V505-A508 PolarHBondContact O-N 3.03Å; V505-I509 HydrophobicContact CG1-CD1 3.99Å; V505-I509 HydrophobicContact CG1-CG1 4.48Å; V505-I509 WeakPolarHBondContact O-CB 3.5Å; V505-I509 WeakPolarHBondContact O-CD1 3.5Å; V505-I509 VanDerWaalsContact O-CG1 3.24Å; V505-I509 WeakPolarHBondContact O-CG1 3.26Å; V505-I509 PolarHBondContact O-N 3.35Å
506R69.3Low65.7Low135 Ų135103.4 Ų103.451%0.50956%0.561SS.*Hα-helixtrans-63.2-44.8170.9-69.6-169.2175.9-149-3.2111.6V501 S502 P503 A508 I509 E510V501-R506 HydrophobicContact CB-CG 4.17Å; V501-R506 HydrophobicContact CG1-CG 3.67Å; S502-R506 PolarHBondContact O-N 3.22Å; S502-R506 VanDerWaalsContact O-N 3.08Å; P503-R506 PolarHBondContact O-N 3.39Å; R506-A508 VanDerWaalsContact C-N 3.33Å; R506-A508 PolarHBondContact O-N 2.97Å; R506-I509 PolarHBondContact O-N 3.2Å; R506-E510 PolarHBondContact O-N 3.37Å
507Q74.8Confident67.8Low138 Ų138100 Ų10065%0.64554%0.543SS*.Hα-helixtrans-64.4-36176.6-167.5178.411.700112.6P503 E504 S511P503-Q507 PolarHBondContact O-N 2.74Å; P503-Q507 VanDerWaalsContact O-N 3.09Å; E504-Q507 PolarHBondContact O-N 3.27Å; Q507-S511 WeakPolarHBondContact O-CB 3.48Å; Q507-S511 PolarHBondContact O-N 3Å; Q507-S511 PolarHBondContact O-OG 3.26Å
508A73.8Confident70Confident49 Ų4997.8 Ų97.841%0.40552%0.519SS..Hα-helixtrans-65.4-41.7171.700000112E504 V505 R506 S511 V512E504-A508 WeakPolarHBondContact O-CB 3.44Å; E504-A508 PolarHBondContact O-N 3.12Å; V505-A508 PolarHBondContact O-N 3.03Å; R506-A508 VanDerWaalsContact C-N 3.33Å; R506-A508 PolarHBondContact O-N 2.97Å; A508-S511 WeakPolarHBondContact CA-OG 3.47Å; A508-S511 PolarHBondContact O-OG 3.05Å; A508-V512 WeakPolarHBondContact O-CB 3.45Å; A508-V512 VanDerWaalsContact O-CG2 3.27Å; A508-V512 WeakPolarHBondContact O-CG2 3.27Å; A508-V512 PolarHBondContact O-N 3.16Å
509I79.3Confident71.9Confident92 Ų9295.9 Ų95.947%0.47251%0.514SS..Hα-helixtrans-65.6-42.2176.5-70.8163.8000111V501 V505 R506 K513V501-I509 HydrophobicContact CG1-CD1 4.34Å; V505-I509 HydrophobicContact CG1-CD1 3.99Å; V505-I509 HydrophobicContact CG1-CG1 4.48Å; V505-I509 WeakPolarHBondContact O-CB 3.5Å; V505-I509 WeakPolarHBondContact O-CD1 3.5Å; V505-I509 VanDerWaalsContact O-CG1 3.24Å; V505-I509 WeakPolarHBondContact O-CG1 3.26Å; V505-I509 PolarHBondContact O-N 3.35Å; R506-I509 PolarHBondContact O-N 3.2Å; I509-K513 VanDerWaalsContact O-CB 3.23Å; I509-K513 WeakPolarHBondContact O-CB 3.33Å; I509-K513 PolarHBondContact O-N 3.22Å
510E76.2Confident73.7Confident137 Ų13799.2 Ų99.264%0.6451%0.511SS*.Hα-helixtrans-67.3-40.7177.5-74.3-178.8172.500112.6R506 K513 Y514R506-E510 PolarHBondContact O-N 3.37Å; E510-K513 PolarHBondContact O-N 3.04Å; E510-Y514 WeakPolarHBondContact O-CB 3.49Å; E510-Y514 PolarHBondContact O-N 3.31Å
511S76.8Confident75Confident56 Ų5695.6 Ų95.639%0.39249%0.491SS..Hα-helixtrans-67.5-40.5175.152.90000112.3Q507 A508 Y514 I515Q507-S511 WeakPolarHBondContact O-CB 3.48Å; Q507-S511 PolarHBondContact O-N 3Å; Q507-S511 PolarHBondContact O-OG 3.26Å; A508-S511 WeakPolarHBondContact CA-OG 3.47Å; A508-S511 PolarHBondContact O-OG 3.05Å; S511-Y514 PolarHBondContact O-N 2.69Å; S511-I515 WeakPolarHBondContact O-CB 3.41Å; S511-I515 WeakPolarHBondContact O-CD1 3.48Å; S511-I515 WeakPolarHBondContact O-CG1 3.15Å; S511-I515 PolarHBondContact O-N 2.78Å
512V81.7Confident75.8Confident97 Ų97101.2 Ų101.259%0.58851%0.508SS*.Hα-helixtrans-64.4-40172.2170.70000111.5A508 I515 A516A508-V512 WeakPolarHBondContact O-CB 3.45Å; A508-V512 VanDerWaalsContact O-CG2 3.27Å; A508-V512 WeakPolarHBondContact O-CG2 3.27Å; A508-V512 PolarHBondContact O-N 3.16Å; V512-I515 PolarHBondContact O-N 2.84Å; V512-A516 VanDerWaalsContact O-CB 3.3Å; V512-A516 WeakPolarHBondContact O-CB 3.43Å; V512-A516 PolarHBondContact O-N 2.67Å
513K78.6Confident76.7Confident120 Ų120103.2 Ų103.252%0.52252%0.515SS..Hα-helixtrans-62.7-45.6174.6-178-177.7172.5-1720111.3I509 E510 A516 E517I509-K513 VanDerWaalsContact O-CB 3.23Å; I509-K513 WeakPolarHBondContact O-CB 3.33Å; I509-K513 PolarHBondContact O-N 3.22Å; E510-K513 PolarHBondContact O-N 3.04Å; K513-A516 PolarHBondContact O-N 3.24Å; K513-E517 WeakPolarHBondContact CE-OE1 3.3Å; K513-E517 HydrophobicContact CG-CG 4.5Å; K513-E517 IonicContact NZ-OE1 2.97Å; K513-E517 WeakPolarHBondContact O-CB 3.39Å; K513-E517 WeakPolarHBondContact O-CG 3.27Å; K513-E517 PolarHBondContact O-N 3.38Å
514Y84.2Confident77Confident154 Ų154104.3 Ų104.360%0.60451%0.51SS*.Hα-helixtrans-61.6-43.6175.3177.3-103.8000112E510 S511 E517 N518E510-Y514 WeakPolarHBondContact O-CB 3.49Å; E510-Y514 PolarHBondContact O-N 3.31Å; S511-Y514 PolarHBondContact O-N 2.69Å; Y514-E517 PolarHBondContact O-N 2.89Å; Y514-N518 WeakPolarHBondContact O-CB 3.44Å; Y514-N518 PolarHBondContact O-N 3.44Å
515I81.3Confident77.5Confident90 Ų9099.9 Ų99.946%0.46249%0.494SS..Hα-helixtrans-61.9-43.7174.3-69.7162.9000110.6S511 V512 M519S511-I515 WeakPolarHBondContact O-CB 3.41Å; S511-I515 WeakPolarHBondContact O-CD1 3.48Å; S511-I515 WeakPolarHBondContact O-CG1 3.15Å; S511-I515 PolarHBondContact O-N 2.78Å; V512-I515 PolarHBondContact O-N 2.84Å; I515-M519 HydrophobicContact CG2-CE 4.13Å; I515-M519 HydrophobicContact CG2-CG 4.39Å; I515-M519 VanDerWaalsContact O-CB 3.27Å; I515-M519 WeakPolarHBondContact O-CB 3.32Å; I515-M519 VanDerWaalsContact O-CG 3.31Å; I515-M519 WeakPolarHBondContact O-CG 3.08Å; I515-M519 PolarHBondContact O-N 2.93Å
516A77.9Confident77.6Confident53 Ų53102.5 Ų102.544%0.43850%0.5SS..Hα-helixtrans-65.7-41.9178.400000112.4V512 K513 R520V512-A516 VanDerWaalsContact O-CB 3.3Å; V512-A516 WeakPolarHBondContact O-CB 3.43Å; V512-A516 PolarHBondContact O-N 2.67Å; K513-A516 PolarHBondContact O-N 3.24Å; A516-R520 WeakPolarHBondContact O-CB 3.23Å; A516-R520 PolarHBondContact O-N 3.33Å
517E81.9Confident78Confident110 Ų110100.4 Ų100.451%0.51450%0.496SS..Hα-helixtrans-69.7-40.8177.2-74.3176.6-179.200112K513 Y514 R520 S521K513-E517 WeakPolarHBondContact CE-OE1 3.3Å; K513-E517 HydrophobicContact CG-CG 4.5Å; K513-E517 IonicContact NZ-OE1 2.97Å; K513-E517 WeakPolarHBondContact O-CB 3.39Å; K513-E517 WeakPolarHBondContact O-CG 3.27Å; K513-E517 PolarHBondContact O-N 3.38Å; Y514-E517 PolarHBondContact O-N 2.89Å; E517-R520 PolarHBondContact O-N 2.87Å; E517-S521 PolarHBondContact O-N 2.81Å; E517-S521 PolarHBondContact O-OG 3.48Å
518N82.9Confident78.2Confident44 Ų4496 Ų9624%0.23548%0.478CS..Hα-helixtrans-69.4-38.3175-173.316.9000112.1Y514 R520 S521 R522Y514-N518 WeakPolarHBondContact O-CB 3.44Å; Y514-N518 PolarHBondContact O-N 3.44Å; N518-R520 VanDerWaalsContact C-N 3.34Å; N518-S521 WeakPolarHBondContact CA-OG 3.39Å; N518-S521 PolarHBondContact O-OG 2.86Å; N518-R522 VanDerWaalsContact O-CB 3.31Å; N518-R522 WeakPolarHBondContact O-CB 3.46Å; N518-R522 WeakPolarHBondContact O-CD 3.45Å; N518-R522 WeakPolarHBondContact O-CG 3.48Å; N518-R522 PolarHBondContact O-N 3.37Å; N518-R522 PolarHBondContact OD1-NE 2.78Å
519M77Confident78.4Confident111 Ų11196.9 Ų96.955%0.54747%0.474SS..Hα-helixtrans-65.4-38.1169.4-76.2-148.1-71.500111.3I515 N523I515-M519 HydrophobicContact CG2-CE 4.13Å; I515-M519 HydrophobicContact CG2-CG 4.39Å; I515-M519 VanDerWaalsContact O-CB 3.27Å; I515-M519 WeakPolarHBondContact O-CB 3.32Å; I515-M519 VanDerWaalsContact O-CG 3.31Å; I515-M519 WeakPolarHBondContact O-CG 3.08Å; I515-M519 PolarHBondContact O-N 2.93Å; M519-N523 VanDerWaalsContact O-CB 3.25Å; M519-N523 WeakPolarHBondContact O-CB 3.22Å; M519-N523 PolarHBondContact O-N 3.47Å; M519-N523 PolarHBondContact O-ND2 3.12Å; M519-N523 PolarHBondContact O-OD1 3.47Å
520R80Confident78.4Confident174 Ų17496 Ų9666%0.65747%0.471SS*.Hα-helixtrans-68.7-38.5177.8-167.1178.7-164.9-172.86.3112.6A516 E517 N518 K524A516-R520 WeakPolarHBondContact O-CB 3.23Å; A516-R520 PolarHBondContact O-N 3.33Å; E517-R520 PolarHBondContact O-N 2.87Å; N518-R520 VanDerWaalsContact C-N 3.34Å; R520-K524 WeakPolarHBondContact O-CG 3.46Å; R520-K524 PolarHBondContact O-N 3.35Å
521S77.9Confident78.7Confident65 Ų6589.6 Ų89.646%0.45544%0.44SS..Hα-helixtrans-69.1-43.8174.963.80000111.4E517 N518 N523 K524 A525E517-S521 PolarHBondContact O-N 2.81Å; E517-S521 PolarHBondContact O-OG 3.48Å; N518-S521 WeakPolarHBondContact CA-OG 3.39Å; N518-S521 PolarHBondContact O-OG 2.86Å; S521-N523 PolarHBondContact O-N 3.48Å; S521-K524 PolarHBondContact O-N 2.81Å; S521-A525 PolarHBondContact O-N 2.91Å
522R74.3Confident79.1Confident157 Ų15787.2 Ų87.259%0.59242%0.423SS*.Hα-helixtrans-60.9-41.3173.4-71.4172.1-175.4-146.4-7112.6N518 A525 K526N518-R522 VanDerWaalsContact O-CB 3.31Å; N518-R522 WeakPolarHBondContact O-CB 3.46Å; N518-R522 WeakPolarHBondContact O-CD 3.45Å; N518-R522 WeakPolarHBondContact O-CG 3.48Å; N518-R522 PolarHBondContact O-N 3.37Å; N518-R522 PolarHBondContact OD1-NE 2.78Å; R522-A525 PolarHBondContact O-N 3.29Å; R522-K526 WeakPolarHBondContact O-CG 3.4Å; R522-K526 PolarHBondContact O-N 2.88Å
523N76.4Confident79.2Confident91 Ų9184.7 Ų84.749%0.48740%0.404SS..Hα-helixtrans-66.2-41.4177.1-72.1-11.9000111.9M519 S521 A525 K526 E527M519-N523 VanDerWaalsContact O-CB 3.25Å; M519-N523 WeakPolarHBondContact O-CB 3.22Å; M519-N523 PolarHBondContact O-N 3.47Å; M519-N523 PolarHBondContact O-ND2 3.12Å; M519-N523 PolarHBondContact O-OD1 3.47Å; S521-N523 PolarHBondContact O-N 3.48Å; N523-A525 VanDerWaalsContact C-N 3.33Å; N523-A525 PolarHBondContact O-N 3.5Å; N523-K526 PolarHBondContact O-N 2.97Å; N523-E527 PolarHBondContact O-N 2.8Å
524K76.2Confident79.4Confident123 Ų12380 Ų8054%0.53538%0.383SS..Hα-helixtrans-63.5-37.3172.8-75.9178174.9-171.90112.8R520 S521 V528R520-K524 WeakPolarHBondContact O-CG 3.46Å; R520-K524 PolarHBondContact O-N 3.35Å; S521-K524 PolarHBondContact O-N 2.81Å; K524-V528 WeakPolarHBondContact O-CG2 3.4Å; K524-V528 PolarHBondContact O-N 3.45Å
525A75.9Confident79.5Confident31 Ų3172.8 Ų72.826%0.25636%0.355SS..Hα-helixtrans-63.9-47.9175.300000110.6P300 S521 R522 N523 E527 V528 E529P300-A525 HydrophobicContact CG-CB 4.02Å; P300-A525 WeakPolarHBondContact CG-O 3.3Å; S521-A525 PolarHBondContact O-N 2.91Å; R522-A525 PolarHBondContact O-N 3.29Å; N523-A525 VanDerWaalsContact C-N 3.33Å; N523-A525 PolarHBondContact O-N 3.5Å; A525-E527 PolarHBondContact O-N 2.85Å; A525-V528 PolarHBondContact O-N 3.38Å; A525-E529 PolarHBondContact O-N 3.36Å
526K74.1Confident79.7Confident125 Ų12568.5 Ų68.554%0.54333%0.333SS..Hα-helixtrans-57.8-45.3174.6-72.3-177.9173.6-167.10112.9R522 N523 V528 E529 D530R522-K526 WeakPolarHBondContact O-CG 3.4Å; R522-K526 PolarHBondContact O-N 2.88Å; N523-K526 PolarHBondContact O-N 2.97Å; K526-V528 VanDerWaalsContact C-N 3.25Å; K526-V528 PolarHBondContact O-N 3.22Å; K526-E529 WeakPolarHBondContact O-CB 3.42Å; K526-E529 PolarHBondContact O-N 3.09Å; K526-D530 PolarHBondContact O-N 2.83Å
527E77Confident80Confident91 Ų9169 Ų6943%0.42533%0.327SS..Hα-helixtrans-55.4-39.7176.4-170.7-169.3157.900112.3N523 A525 D531N523-E527 PolarHBondContact O-N 2.8Å; A525-E527 PolarHBondContact O-N 2.85Å; E527-D531 WeakPolarHBondContact O-CB 3.48Å; E527-D531 PolarHBondContact O-N 3.25Å
528V78.8Confident80.2Confident45 Ų4563.8 Ų63.827%0.27330%0.303SS..Hα-helixtrans-75.8-34.1177176.90000112.3P300 K524 A525 K526 W532P300-V528 HydrophobicContact CB-CB 4.04Å; P300-V528 HydrophobicContact CB-CG1 3.83Å; K524-V528 WeakPolarHBondContact O-CG2 3.4Å; K524-V528 PolarHBondContact O-N 3.45Å; A525-V528 PolarHBondContact O-N 3.38Å; K526-V528 VanDerWaalsContact C-N 3.25Å; K526-V528 PolarHBondContact O-N 3.22Å; V528-W532 VanDerWaalsContact O-CD1 3.23Å; V528-W532 PolarHBondContact O-N 2.86Å
529E78.1Confident80.3Confident69 Ų6962.3 Ų62.332%0.32230%0.295SS..Hα-helixtrans-64.7-45.5173.8-166.9-169129.500111.1A525 K526 W532 K533A525-E529 PolarHBondContact O-N 3.36Å; K526-E529 WeakPolarHBondContact O-CB 3.42Å; K526-E529 PolarHBondContact O-N 3.09Å; E529-W532 PolarHBondContact O-N 2.71Å; E529-W532 VanDerWaalsContact O-N 3.16Å; E529-K533 WeakPolarHBondContact O-CG 3.25Å; E529-K533 PolarHBondContact O-N 2.89Å; E529-K533 VanDerWaalsContact OE1-CE 3.3Å; E529-K533 WeakPolarHBondContact OE1-CE 3.35Å; E529-K533 IonicContact OE1-NZ 3.77Å; E529-K533 PolarHBondContact OE1-NZ 3.47Å
530D78.9Confident80.8Confident74 Ų7457.2 Ų57.240%0.39627%0.27SS..Hα-helixtrans-72.1-30.7178.8-62.1-31000111.7K526 K533 Y534K526-D530 PolarHBondContact O-N 2.83Å; D530-K533 PolarHBondContact O-N 2.95Å; D530-K533 IonicContact OD1-NZ 3.95Å; D530-K533 PolarHBondContact OD1-NZ 3.17Å; D530-Y534 WeakPolarHBondContact O-CB 3.41Å; D530-Y534 PolarHBondContact O-N 3.07Å
531D83.1Confident81.1Confident1 Ų152.2 Ų52.21%0.00525%0.251CS..Hα-helixtrans-59.3-45165.2-96.7-5.5000111.3M305 R310 L314 R325 E527 Y534 V535M305-D531 HydrophobicContact CE-CB 3.86Å; R310-D531 IonicContact CZ-OD2 2.67Å; R310-D531 IonicContact NE-OD2 2.9Å; R310-D531 IonicContact NH2-OD2 3.19Å; R310-D531 PolarHBondContact NH2-OD2 3.34Å; L314-D531 HydrophobicContact CD1-CB 4.32Å; L314-D531 WeakPolarHBondContact CD1-OD1 3.41Å; L314-D531 WeakPolarHBondContact CD1-OD2 3.21Å; R325-D531 IonicContact CZ-OD1 3.18Å; R325-D531 IonicContact NE-OD1 3.78Å; R325-D531 IonicContact NH2-OD1 3.53Å; R325-D531 PolarHBondContact NH2-OD1 3.31Å; E527-D531 WeakPolarHBondContact O-CB 3.48Å; E527-D531 PolarHBondContact O-N 3.25Å; D531-Y534 PolarHBondContact O-N 3.22Å; D531-V535 VanDerWaalsContact O-CG2 3.26Å; D531-V535 WeakPolarHBondContact O-CG2 3.34Å; D531-V535 PolarHBondContact O-N 2.94Å
532W84.3Confident81.6Confident7 Ų751.3 Ų51.33%0.02724%0.24CC..Hα-helixtrans-65.5-41.4177-83.1118.2000113V295 R298 M305 V309 V528 E529 Y534 V535 A536V295-W532 HydrophobicContact CG1-CE3 3.9Å; V295-W532 HydrophobicContact CG1-CZ3 4.13Å; R298-W532 HydrophobicContact CB-CD2 4.13Å; R298-W532 HydrophobicContact CB-CG 4.13Å; M305-W532 HydrophobicContact CB-CZ2 3.83Å; M305-W532 HydrophobicContact CG-CH2 4.4Å; M305-W532 HydrophobicContact CG-CZ2 4.14Å; V309-W532 HydrophobicContact CG1-CZ3 4.48Å; V528-W532 VanDerWaalsContact O-CD1 3.23Å; V528-W532 PolarHBondContact O-N 2.86Å; E529-W532 PolarHBondContact O-N 2.71Å; E529-W532 VanDerWaalsContact O-N 3.16Å; W532-Y534 VanDerWaalsContact C-N 3.32Å; W532-Y534 PolarHBondContact O-N 3.48Å; W532-V535 WeakPolarHBondContact O-CB 3.3Å; W532-V535 PolarHBondContact O-N 2.88Å; W532-A536 PolarHBondContact O-N 3.16Å
533K84Confident82.3Confident44 Ų4446.8 Ų46.819%0.19123%0.225CC..Hα-helixtrans-61.4-41.8173.5-65.4173.2-165.41480111.5E529 D530 A536 M537E529-K533 WeakPolarHBondContact O-CG 3.25Å; E529-K533 PolarHBondContact O-N 2.89Å; E529-K533 VanDerWaalsContact OE1-CE 3.3Å; E529-K533 WeakPolarHBondContact OE1-CE 3.35Å; E529-K533 IonicContact OE1-NZ 3.77Å; E529-K533 PolarHBondContact OE1-NZ 3.47Å; D530-K533 PolarHBondContact O-N 2.95Å; D530-K533 IonicContact OD1-NZ 3.95Å; D530-K533 PolarHBondContact OD1-NZ 3.17Å; K533-A536 WeakPolarHBondContact O-CB 3.43Å; K533-A536 PolarHBondContact O-N 3.27Å; K533-M537 WeakPolarHBondContact O-CG 3.27Å; K533-M537 PolarHBondContact O-N 3.38Å
534Y83.9Confident82.9Confident21 Ų2143.4 Ų43.48%0.08221%0.207CC..Hα-helixtrans-65.7-40.1175.7-174.3-87.6000112.1L314 P318 R325 D530 D531 W532 A536 M537 V538L314-Y534 HydrophobicContact CD2-CD1 3.38Å; L314-Y534 HydrophobicContact CD2-CE1 3.9Å; L314-Y534 HydrophobicContact CD2-CG 4.34Å; P318-Y534 WeakPolarHBondContact CB-OH 3.44Å; P318-Y534 HydrophobicContact CG-CE1 3.86Å; R325-Y534 HydrophobicContact CB-CE2 4.15Å; R325-Y534 HydrophobicContact CG-CD2 4.32Å; R325-Y534 HydrophobicContact CG-CE2 4Å; D530-Y534 WeakPolarHBondContact O-CB 3.41Å; D530-Y534 PolarHBondContact O-N 3.07Å; D531-Y534 PolarHBondContact O-N 3.22Å; W532-Y534 VanDerWaalsContact C-N 3.32Å; W532-Y534 PolarHBondContact O-N 3.48Å; Y534-A536 VanDerWaalsContact C-N 3.34Å; Y534-A536 PolarHBondContact O-N 2.83Å; Y534-M537 HydrophobicContact CD2-CE 4.29Å; Y534-M537 PolarHBondContact O-N 2.85Å; Y534-V538 HydrophobicContact CD1-CG2 3.88Å; Y534-V538 HydrophobicContact CE1-CG2 3.5Å; Y534-V538 WeakPolarHBondContact O-CG2 3.24Å; Y534-V538 PolarHBondContact O-N 3.39Å
535V85.6Confident83.5Confident2 Ų245 Ų451%0.01221%0.21CC..Hα-helixtrans-58.2-45.7171.8169.30000110.8V295 M305 V309 F313 L314 D531 W532 V538 I539V295-V535 HydrophobicContact CG1-CG1 4.23Å; M305-V535 HydrophobicContact SD-CG2 4.33Å; V309-V535 HydrophobicContact CG1-CG1 4.26Å; V309-V535 HydrophobicContact CG1-CG2 4.31Å; F313-V535 HydrophobicContact CB-CB 4.38Å; F313-V535 HydrophobicContact CB-CG1 4.07Å; F313-V535 HydrophobicContact CB-CG2 3.8Å; F313-V535 HydrophobicContact CD1-CG1 4.22Å; F313-V535 HydrophobicContact CD2-CG1 4.33Å; F313-V535 HydrophobicContact CG-CG1 3.95Å; L314-V535 HydrophobicContact CD2-CG2 4.15Å; L314-V535 HydrophobicContact CG-CG2 4.42Å; D531-V535 VanDerWaalsContact O-CG2 3.26Å; D531-V535 WeakPolarHBondContact O-CG2 3.34Å; D531-V535 PolarHBondContact O-N 2.94Å; W532-V535 WeakPolarHBondContact O-CB 3.3Å; W532-V535 PolarHBondContact O-N 2.88Å; V535-V538 PolarHBondContact O-N 3.45Å; V535-I539 HydrophobicContact CG1-CD1 3.76Å; V535-I539 HydrophobicContact CG1-CG1 4.47Å; V535-I539 WeakPolarHBondContact O-CD1 3.18Å; V535-I539 VanDerWaalsContact O-CG1 3.23Å; V535-I539 WeakPolarHBondContact O-CG1 3.46Å; V535-I539 PolarHBondContact O-N 2.85Å
536A85.4Confident84.1Confident0 Ų047 Ų470%022%0.219CC..Hα-helixtrans-60.6-45.4176.100000112.5V292 V295 H296 W532 K533 Y534 V538 I539 D540V292-A536 HydrophobicContact CG1-CB 3.98Å; V295-A536 HydrophobicContact CG1-CB 4.22Å; H296-A536 HydrophobicContact CB-CB 3.69Å; W532-A536 PolarHBondContact O-N 3.16Å; K533-A536 WeakPolarHBondContact O-CB 3.43Å; K533-A536 PolarHBondContact O-N 3.27Å; Y534-A536 VanDerWaalsContact C-N 3.34Å; Y534-A536 PolarHBondContact O-N 2.83Å; A536-V538 VanDerWaalsContact C-N 3.34Å; A536-V538 PolarHBondContact O-N 3.04Å; A536-I539 PolarHBondContact O-N 3.23Å; A536-D540 PolarHBondContact O-N 3.08Å
537M83.8Confident84.7Confident65 Ų6541.5 Ų41.532%0.3220%0.195SC..Hα-helixtrans-61.6-38.3175-73.2-171.1-73.800113K533 Y534 R541K533-M537 WeakPolarHBondContact O-CG 3.27Å; K533-M537 PolarHBondContact O-N 3.38Å; Y534-M537 HydrophobicContact CD2-CE 4.29Å; Y534-M537 PolarHBondContact O-N 2.85Å; M537-R541 WeakPolarHBondContact O-CG 3.36Å; M537-R541 PolarHBondContact O-N 3.49Å
538V85.8Confident85.3Confident0 Ų039.3 Ų39.30%019%0.187CC..Hα-helixtrans-66.8-40.5175.2170.60000110.7F313 L317 P318 Y534 V535 A536 R541 I542F313-V538 HydrophobicContact CD1-CG1 4.13Å; L317-V538 HydrophobicContact CB-CG1 3.83Å; L317-V538 HydrophobicContact CD1-CG1 4.47Å; P318-V538 HydrophobicContact CG-CG2 4.17Å; Y534-V538 HydrophobicContact CD1-CG2 3.88Å; Y534-V538 HydrophobicContact CE1-CG2 3.5Å; Y534-V538 WeakPolarHBondContact O-CG2 3.24Å; Y534-V538 PolarHBondContact O-N 3.39Å; V535-V538 PolarHBondContact O-N 3.45Å; A536-V538 VanDerWaalsContact C-N 3.34Å; A536-V538 PolarHBondContact O-N 3.04Å; V538-R541 PolarHBondContact O-N 2.88Å; V538-I542 HydrophobicContact CG1-CD1 3.88Å; V538-I542 WeakPolarHBondContact O-CD1 3.32Å; V538-I542 VanDerWaalsContact O-CG1 3.3Å; V538-I542 WeakPolarHBondContact O-CG1 3.3Å; V538-I542 PolarHBondContact O-N 3.36Å
539I86.4Confident85.7Confident12 Ų1240.5 Ų40.56%0.06220%0.195CC..Hα-helixtrans-61.9-49.3176.3-67.3162.3000111V292 V295 F313 V535 A536 R541 I542 F543V292-I539 HydrophobicContact CG2-CB 4.32Å; V292-I539 HydrophobicContact CG2-CG2 3.6Å; V295-I539 HydrophobicContact CG1-CD1 4.16Å; F313-I539 HydrophobicContact CD1-CD1 4.46Å; F313-I539 HydrophobicContact CD1-CG1 3.86Å; F313-I539 HydrophobicContact CE1-CD1 4.01Å; F313-I539 HydrophobicContact CE1-CG1 3.36Å; F313-I539 HydrophobicContact CZ-CD1 4.32Å; F313-I539 HydrophobicContact CZ-CG1 4.06Å; V535-I539 HydrophobicContact CG1-CD1 3.76Å; V535-I539 HydrophobicContact CG1-CG1 4.47Å; V535-I539 WeakPolarHBondContact O-CD1 3.18Å; V535-I539 VanDerWaalsContact O-CG1 3.23Å; V535-I539 WeakPolarHBondContact O-CG1 3.46Å; V535-I539 PolarHBondContact O-N 2.85Å; A536-I539 PolarHBondContact O-N 3.23Å; I539-R541 PolarHBondContact O-N 3.18Å; I539-I542 PolarHBondContact O-N 2.85Å; I539-F543 HydrophobicContact CG2-CD2 3.56Å; I539-F543 HydrophobicContact CG2-CE2 3.43Å; I539-F543 VanDerWaalsContact CG2-CE2 3.43Å; I539-F543 VanDerWaalsContact O-CD2 3.3Å; I539-F543 WeakPolarHBondContact O-CD2 3.46Å; I539-F543 PolarHBondContact O-N 3.35Å
540D87.3Confident86.2Confident4 Ų439.6 Ų39.62%0.02119%0.194CC..Hα-helixtrans-50.6-45.6175.2-95.6-29.7000111.7K239 A536 F543 L544K239-D540 IonicContact NZ-OD1 3.15Å; K239-D540 PolarHBondContact NZ-OD1 3.21Å; K239-D540 IonicContact NZ-OD2 3.27Å; K239-D540 PolarHBondContact NZ-OD2 2.93Å; A536-D540 PolarHBondContact O-N 3.08Å; D540-F543 PolarHBondContact O-N 3.32Å; D540-L544 WeakPolarHBondContact O-CB 3.18Å; D540-L544 PolarHBondContact O-N 3.05Å
541R87Confident86.5Confident69 Ų6937 Ų3726%0.2618%0.182SC..Hα-helixtrans-72.5-35.7-175.8-62.9-79.5170.7-174.2-11.3112.5Y231 M321 M323 M537 V538 I539 L544 W545Y231-R541 PolarHBondContact O-NH2 3.06Å; M321-R541 HydrophobicContact CE-CB 4.01Å; M321-R541 HydrophobicContact SD-CB 4.13Å; M323-R541 HydrophobicContact CE-CB 3.27Å; M323-R541 HydrophobicContact CE-CG 3.48Å; M323-R541 VanDerWaalsContact CE-CG 3.48Å; M323-R541 HydrophobicContact SD-CB 4.3Å; M323-R541 HydrophobicContact SD-CG 4.25Å; M537-R541 WeakPolarHBondContact O-CG 3.36Å; M537-R541 PolarHBondContact O-N 3.49Å; V538-R541 PolarHBondContact O-N 2.88Å; I539-R541 PolarHBondContact O-N 3.18Å; R541-L544 WeakPolarHBondContact O-CB 3.45Å; R541-L544 PolarHBondContact O-N 3.32Å; R541-W545 VanDerWaalsContact O-CD1 3.28Å; R541-W545 PolarHBondContact O-N 3.45Å; R541-W545 VanDerWaalsContact O-N 3.17Å
542I88.1Confident86.7Confident46 Ų4640.8 Ų40.824%0.23620%0.204CC..Hα-helixtrans-61.6-49.1173.2-67.3160.1000109.6F313 L317 M321 V538 I539 L544 W545 V546F313-I542 HydrophobicContact CE1-CD1 4.47Å; L317-I542 HydrophobicContact CB-CD1 4.2Å; L317-I542 HydrophobicContact CD1-CD1 3.62Å; L317-I542 HydrophobicContact CD2-CD1 3.74Å; L317-I542 HydrophobicContact CG-CD1 4.05Å; M321-I542 HydrophobicContact SD-CB 4.4Å; M321-I542 HydrophobicContact SD-CG1 3.48Å; M321-I542 WeakPolarHBondContact SD-CG1 3.44Å; V538-I542 HydrophobicContact CG1-CD1 3.88Å; V538-I542 WeakPolarHBondContact O-CD1 3.32Å; V538-I542 VanDerWaalsContact O-CG1 3.3Å; V538-I542 WeakPolarHBondContact O-CG1 3.3Å; V538-I542 PolarHBondContact O-N 3.36Å; I539-I542 PolarHBondContact O-N 2.85Å; I542-L544 VanDerWaalsContact C-N 3.33Å; I542-L544 PolarHBondContact O-N 2.98Å; I542-W545 PolarHBondContact O-N 2.98Å; I542-V546 WeakPolarHBondContact O-CG2 3.45Å; I542-V546 PolarHBondContact O-N 3.01Å; I542-V546 VanDerWaalsContact O-N 3.1Å
543F87.9Confident86.8Confident63 Ų6346 Ų4628%0.27623%0.232SC..Hα-helixtrans-64.2-37.5177.3-73.5-60.6000112.1F230 I288 I539 D540 W545 V546 F547F230-F543 HydrophobicContact CD1-CB 4.36Å; F230-F543 HydrophobicContact CE1-CB 4.24Å; F230-F543 HydrophobicContact CZ-CB 4.47Å; I288-F543 HydrophobicContact CD1-CD1 3.9Å; I288-F543 HydrophobicContact CD1-CE1 3.87Å; I288-F543 HydrophobicContact CD1-CG 4.41Å; I288-F543 HydrophobicContact CD1-CZ 4.34Å; I288-F543 HydrophobicContact CG1-CE1 4.49Å; I288-F543 HydrophobicContact CG1-CZ 4.48Å; I288-F543 HydrophobicContact CG2-CB 4.24Å; I288-F543 HydrophobicContact CG2-CD1 4.19Å; I288-F543 HydrophobicContact CG2-CD2 3.31Å; I288-F543 HydrophobicContact CG2-CE1 4.39Å; I288-F543 HydrophobicContact CG2-CE2 3.54Å; I288-F543 HydrophobicContact CG2-CG 3.67Å; I288-F543 HydrophobicContact CG2-CZ 4.09Å; I539-F543 HydrophobicContact CG2-CD2 3.56Å; I539-F543 HydrophobicContact CG2-CE2 3.43Å; I539-F543 VanDerWaalsContact CG2-CE2 3.43Å; I539-F543 VanDerWaalsContact O-CD2 3.3Å; I539-F543 WeakPolarHBondContact O-CD2 3.46Å; I539-F543 PolarHBondContact O-N 3.35Å; D540-F543 PolarHBondContact O-N 3.32Å; F543-W545 PolarHBondContact O-N 3.47Å; F543-V546 PolarHBondContact O-N 2.83Å; F543-F547 HydrophobicContact CB-CD2 4.39Å; F543-F547 HydrophobicContact CD1-CE2 4.36Å; F543-F547 WeakPolarHBondContact O-CB 3.35Å; F543-F547 VanDerWaalsContact O-CD2 3.25Å; F543-F547 WeakPolarHBondContact O-CD2 3.47Å; F543-F547 PolarHBondContact O-N 2.87Å
544L88.9Confident86.7Confident19 Ų1944.6 Ų44.610%0.09923%0.23CC..Hα-helixtrans-53.4-50.9173-176152000111.9V227 F230 Y231 D540 R541 I542 F547 V548V227-L544 HydrophobicContact CG1-CG 4.49Å; F230-L544 HydrophobicContact CB-CB 3.83Å; F230-L544 HydrophobicContact CB-CD1 4.29Å; F230-L544 HydrophobicContact CB-CG 4.39Å; Y231-L544 HydrophobicContact CD2-CD1 3.97Å; Y231-L544 HydrophobicContact CG-CD1 4.4Å; D540-L544 WeakPolarHBondContact O-CB 3.18Å; D540-L544 PolarHBondContact O-N 3.05Å; R541-L544 WeakPolarHBondContact O-CB 3.45Å; R541-L544 PolarHBondContact O-N 3.32Å; I542-L544 VanDerWaalsContact C-N 3.33Å; I542-L544 PolarHBondContact O-N 2.98Å; L544-F547 PolarHBondContact O-N 2.8Å; L544-V548 HydrophobicContact CD2-CG2 3.91Å; L544-V548 HydrophobicContact CG-CG2 4.38Å; L544-V548 WeakPolarHBondContact O-CB 3.47Å; L544-V548 WeakPolarHBondContact O-CG2 3.25Å; L544-V548 PolarHBondContact O-N 3.43Å
545W88.3Confident86.6Confident157 Ų15745 Ų4560%0.59523%0.234SC*.Hα-helixtrans-68.9-38.1-179-76.690.4000112.7M321 R541 I542 F543 T549M321-W545 HydrophobicContact CE-CG 4.11Å; R541-W545 VanDerWaalsContact O-CD1 3.28Å; R541-W545 PolarHBondContact O-N 3.45Å; R541-W545 VanDerWaalsContact O-N 3.17Å; I542-W545 PolarHBondContact O-N 2.98Å; F543-W545 PolarHBondContact O-N 3.47Å; W545-T549 WeakPolarHBondContact O-CB 3.16Å; W545-T549 PolarHBondContact O-N 2.83Å; W545-T549 PolarHBondContact O-OG1 2.84Å
546V89.1Confident86.4Confident73 Ų7349.6 Ų49.644%0.44226%0.257SS..Hα-helixtrans-60.4-48.2173.7172.70000110.8I542 F543 T549 V550I542-V546 WeakPolarHBondContact O-CG2 3.45Å; I542-V546 PolarHBondContact O-N 3.01Å; I542-V546 VanDerWaalsContact O-N 3.1Å; F543-V546 PolarHBondContact O-N 2.83Å; V546-T549 PolarHBondContact O-N 3.25Å; V546-V550 WeakPolarHBondContact O-CG2 3.31Å; V546-V550 PolarHBondContact O-N 3.38Å
547F87.6Confident86Confident10 Ų1051.7 Ų51.74%0.04428%0.278CS..Hα-helixtrans-66.6-44.4179.2-86.6-107.9000111.9V227 F230 F281 L284 I288 F543 L544 T549 V550 C551V227-F547 HydrophobicContact CG2-CB 4.47Å; F230-F547 HydrophobicContact CD2-CG 4.45Å; F230-F547 HydrophobicContact CE2-CB 4.4Å; F230-F547 AromaticContact CE2-CD1 3.91Å; F230-F547 HydrophobicContact CE2-CD1 3.91Å; F230-F547 HydrophobicContact CE2-CD2 4.02Å; F230-F547 HydrophobicContact CE2-CE1 4.19Å; F230-F547 HydrophobicContact CE2-CE2 4.27Å; F230-F547 AromaticContact CE2-CG 3.83Å; F230-F547 HydrophobicContact CE2-CG 3.83Å; F230-F547 HydrophobicContact CE2-CZ 4.36Å; F230-F547 HydrophobicContact CZ-CD2 4.45Å; F230-F547 HydrophobicContact CZ-CE2 4.32Å; F230-F547 HydrophobicContact CZ-CZ 4.4Å; F281-F547 AromaticContact CD1-CD1 3.49Å; F281-F547 HydrophobicContact CD1-CD1 3.49Å; F281-F547 VanDerWaalsContact CD1-CD1 3.49Å; F281-F547 AromaticContact CD1-CE1 3.43Å; F281-F547 HydrophobicContact CD1-CE1 3.43Å; F281-F547 VanDerWaalsContact CD1-CE1 3.43Å; F281-F547 HydrophobicContact CD1-CG 4.38Å; F281-F547 HydrophobicContact CD1-CZ 4.29Å; F281-F547 AromaticContact CE1-CD1 3.69Å; F281-F547 HydrophobicContact CE1-CD1 3.69Å; F281-F547 AromaticContact CE1-CE1 3.73Å; F281-F547 HydrophobicContact CE1-CE1 3.73Å; F281-F547 HydrophobicContact CE1-CG 4.15Å; F281-F547 HydrophobicContact CE1-CZ 4.24Å; F281-F547 HydrophobicContact CG-CE1 4.46Å; F281-F547 WeakPolarHBondContact O-CE1 3.19Å; L284-F547 HydrophobicContact CB-CZ 4.34Å; I288-F547 HydrophobicContact CD1-CE2 3.64Å; I288-F547 HydrophobicContact CD1-CZ 3.82Å; F543-F547 HydrophobicContact CB-CD2 4.39Å; F543-F547 HydrophobicContact CD1-CE2 4.36Å; F543-F547 WeakPolarHBondContact O-CB 3.35Å; F543-F547 VanDerWaalsContact O-CD2 3.25Å; F543-F547 WeakPolarHBondContact O-CD2 3.47Å; F543-F547 PolarHBondContact O-N 2.87Å; L544-F547 PolarHBondContact O-N 2.8Å; F547-T549 VanDerWaalsContact C-N 3.34Å; F547-T549 PolarHBondContact O-N 3Å; F547-V550 PolarHBondContact O-N 3.24Å; F547-C551 WeakPolarHBondContact O-CB 3.3Å; F547-C551 PolarHBondContact O-N 3.35Å; F547-C551 PolarHBondContact O-SG 2.83Å
548V88.7Confident85.5Confident45 Ų4549.9 Ų49.927%0.27327%0.27SS..Hα-helixtrans-54.7-50.51731670000110.6V227 L544 V550 C551 V552V227-V548 HydrophobicContact CG1-CG2 3.45Å; V227-V548 VanDerWaalsContact CG1-CG2 3.45Å; L544-V548 HydrophobicContact CD2-CG2 3.91Å; L544-V548 HydrophobicContact CG-CG2 4.38Å; L544-V548 WeakPolarHBondContact O-CB 3.47Å; L544-V548 WeakPolarHBondContact O-CG2 3.25Å; L544-V548 PolarHBondContact O-N 3.43Å; V548-V550 PolarHBondContact O-N 2.85Å; V548-C551 PolarHBondContact O-N 2.84Å; V548-V552 HydrophobicContact CG1-CG2 4.39Å; V548-V552 WeakPolarHBondContact O-CB 3.31Å; V548-V552 VanDerWaalsContact O-CG2 3.26Å; V548-V552 WeakPolarHBondContact O-CG2 2.92Å; V548-V552 PolarHBondContact O-N 3.38Å
549T88.3Confident84.8Confident70 Ų7052.5 Ų52.543%0.42928%0.281SS..Hα-helixtrans-62.4-45.5-178.4-61.60000111.5W545 V546 F547 V552 L553W545-T549 WeakPolarHBondContact O-CB 3.16Å; W545-T549 PolarHBondContact O-N 2.83Å; W545-T549 PolarHBondContact O-OG1 2.84Å; V546-T549 PolarHBondContact O-N 3.25Å; F547-T549 VanDerWaalsContact C-N 3.34Å; F547-T549 PolarHBondContact O-N 3Å; T549-V552 PolarHBondContact O-N 3.43Å; T549-L553 HydrophobicContact CG2-CD1 3.8Å; T549-L553 HydrophobicContact CG2-CG 4.38Å; T549-L553 WeakPolarHBondContact O-CB 3.43Å; T549-L553 VanDerWaalsContact O-CG 3.24Å; T549-L553 WeakPolarHBondContact O-CG 3.43Å; T549-L553 PolarHBondContact O-N 3.32Å
550V87.9Confident84.1Confident50 Ų5055.6 Ų55.630%0.30330%0.298SS..Hα-helixtrans-73.7-35.5-178.8-177.40000112.4F277 F281 V546 F547 V548 G554F277-V550 HydrophobicContact CE2-CG1 4.44Å; F277-V550 HydrophobicContact CZ-CG1 3.77Å; F281-V550 HydrophobicContact CE1-CB 4.01Å; F281-V550 HydrophobicContact CE1-CG1 3.98Å; F281-V550 HydrophobicContact CE2-CB 4.48Å; F281-V550 HydrophobicContact CE2-CG1 3.58Å; F281-V550 HydrophobicContact CZ-CB 3.64Å; F281-V550 HydrophobicContact CZ-CG1 3.2Å; F281-V550 HydrophobicContact CZ-CG2 4.32Å; V546-V550 WeakPolarHBondContact O-CG2 3.31Å; V546-V550 PolarHBondContact O-N 3.38Å; F547-V550 PolarHBondContact O-N 3.24Å; V548-V550 PolarHBondContact O-N 2.85Å; V550-G554 PolarHBondContact O-N 2.94Å
551C85.3Confident83Confident20 Ų2061.1 Ų61.114%0.13532%0.323CS..Hα-helixtrans-63.3-44.4171.8-72.40000111.8F547 V548 T555F547-C551 WeakPolarHBondContact O-CB 3.3Å; F547-C551 PolarHBondContact O-N 3.35Å; F547-C551 PolarHBondContact O-SG 2.83Å; V548-C551 PolarHBondContact O-N 2.84Å; C551-T555 VanDerWaalsContact O-CB 3.31Å; C551-T555 WeakPolarHBondContact O-CB 3.39Å; C551-T555 PolarHBondContact O-N 3.19Å; C551-T555 PolarHBondContact O-OG1 2.91Å
552V86.4Confident81.8Confident80 Ų8059 Ų5949%0.48532%0.318SS..Hα-helixtrans-65.3-46.1176.8170.80000110.8V548 T549 M556V548-V552 HydrophobicContact CG1-CG2 4.39Å; V548-V552 WeakPolarHBondContact O-CB 3.31Å; V548-V552 VanDerWaalsContact O-CG2 3.26Å; V548-V552 WeakPolarHBondContact O-CG2 2.92Å; V548-V552 PolarHBondContact O-N 3.38Å; T549-V552 PolarHBondContact O-N 3.43Å; V552-M556 HydrophobicContact CG1-CG 4.22Å; V552-M556 VanDerWaalsContact O-CB 3.26Å; V552-M556 WeakPolarHBondContact O-CB 3.27Å; V552-M556 WeakPolarHBondContact O-CG 3.37Å; V552-M556 PolarHBondContact O-N 2.88Å
553L86.2Confident80.4Confident116 Ų11662.4 Ų62.461%0.60734%0.336SS*.Hα-helixtrans-65.8-38.5178.4-71174.1000112.7T549 G557T549-L553 HydrophobicContact CG2-CD1 3.8Å; T549-L553 HydrophobicContact CG2-CG 4.38Å; T549-L553 WeakPolarHBondContact O-CB 3.43Å; T549-L553 VanDerWaalsContact O-CG 3.24Å; T549-L553 WeakPolarHBondContact O-CG 3.43Å; T549-L553 PolarHBondContact O-N 3.32Å; L553-G557 PolarHBondContact O-N 3.46Å
554G82.6Confident79.1Confident14 Ų1466.5 Ų66.514%0.14435%0.354CS..Hα-helixtrans-66.6-48.6176.300000112.3V550 G557 L558V550-G554 PolarHBondContact O-N 2.94Å; G554-G557 PolarHBondContact O-N 2.94Å; G554-L558 WeakPolarHBondContact O-CB 3.23Å; G554-L558 WeakPolarHBondContact O-CG 3.12Å; G554-L558 PolarHBondContact O-N 2.97Å
555T80.9Confident77.5Confident29 Ų2968.1 Ų68.118%0.17838%0.376CS..Hα-helixtrans-61.9-45.4174.9-59.60000111L220 C551 F559L220-T555 HydrophobicContact CD2-CG2 3.85Å; C551-T555 VanDerWaalsContact O-CB 3.31Å; C551-T555 WeakPolarHBondContact O-CB 3.39Å; C551-T555 PolarHBondContact O-N 3.19Å; C551-T555 PolarHBondContact O-OG1 2.91Å; T555-F559 HydrophobicContact CG2-CD2 3.75Å; T555-F559 HydrophobicContact CG2-CE2 4.15Å; T555-F559 WeakPolarHBondContact O-CB 3.22Å; T555-F559 VanDerWaalsContact O-CD2 3.31Å; T555-F559 WeakPolarHBondContact O-CD2 3.45Å; T555-F559 PolarHBondContact O-N 2.86Å
556M82.4Confident75.8Confident100 Ų10067.5 Ų67.549%0.49338%0.378SS..Hα-helixtrans-61.5-48.8176.2-71.6-65.7101.700111.4V552 L558 I560V552-M556 HydrophobicContact CG1-CG 4.22Å; V552-M556 VanDerWaalsContact O-CB 3.26Å; V552-M556 WeakPolarHBondContact O-CB 3.27Å; V552-M556 WeakPolarHBondContact O-CG 3.37Å; V552-M556 PolarHBondContact O-N 2.88Å; M556-L558 PolarHBondContact O-N 3.18Å; M556-I560 HydrophobicContact CB-CD1 4.36Å; M556-I560 WeakPolarHBondContact O-CB 3.47Å; M556-I560 WeakPolarHBondContact O-CD1 3.24Å; M556-I560 WeakPolarHBondContact O-CG1 3.27Å; M556-I560 PolarHBondContact O-N 2.92Å
557G77.1Confident74Confident43 Ų4369.6 Ų69.644%0.44339%0.39SS..Hα-helixtrans-59.5-42.3-178.100000113.8L553 G554L553-G557 PolarHBondContact O-N 3.46Å; G554-G557 PolarHBondContact O-N 2.94Å
558L73.1Confident71.8Confident27 Ų2776.4 Ų76.414%0.14144%0.439CS..Hα-helixtrans-80.8-36.5-176.1-68.7164.3000113.1L270 Y274 G554 M556 P562L270-L558 HydrophobicContact CD1-CD2 3.64Å; L270-L558 HydrophobicContact CG-CD2 4.43Å; Y274-L558 HydrophobicContact CD2-CD1 3.72Å; Y274-L558 HydrophobicContact CG-CD1 4.37Å; G554-L558 WeakPolarHBondContact O-CB 3.23Å; G554-L558 WeakPolarHBondContact O-CG 3.12Å; G554-L558 PolarHBondContact O-N 2.97Å; M556-L558 PolarHBondContact O-N 3.18Å; L558-P562 WeakPolarHBondContact O-CD 3.5Å
559F71.7Confident71Confident55 Ų5578 Ų7824%0.24145%0.448CS..Hα-helixtrans-84.8-17.6178.3-72.5-79.8000113.8I216 L220 Y274 T555 P562 L563I216-F559 HydrophobicContact CD1-CE1 4.44Å; I216-F559 HydrophobicContact CG2-CE1 3.91Å; I216-F559 HydrophobicContact CG2-CZ 3.82Å; L220-F559 HydrophobicContact CD2-CE2 4.19Å; Y274-F559 HydrophobicContact CD2-CE2 4.47Å; Y274-F559 HydrophobicContact CE2-CE2 4.27Å; T555-F559 HydrophobicContact CG2-CD2 3.75Å; T555-F559 HydrophobicContact CG2-CE2 4.15Å; T555-F559 WeakPolarHBondContact O-CB 3.22Å; T555-F559 VanDerWaalsContact O-CD2 3.31Å; T555-F559 WeakPolarHBondContact O-CD2 3.45Å; T555-F559 PolarHBondContact O-N 2.86Å; F559-P562 WeakPolarHBondContact O-CD 3.45Å; F559-L563 VanDerWaalsContact O-CB 3.29Å; F559-L563 WeakPolarHBondContact O-CB 3.45Å; F559-L563 PolarHBondContact O-N 3.37Å; F559-L563 VanDerWaalsContact O-N 3.12Å
560I71.6Confident70.1Confident78 Ų7878.4 Ų78.440%0.445%0.448SS..Hα-helixtrans-60.6-44.9177.1-93.9170.7000112.5M556 L563 F564M556-I560 HydrophobicContact CB-CD1 4.36Å; M556-I560 WeakPolarHBondContact O-CB 3.47Å; M556-I560 WeakPolarHBondContact O-CD1 3.24Å; M556-I560 WeakPolarHBondContact O-CG1 3.27Å; M556-I560 PolarHBondContact O-N 2.92Å; I560-L563 PolarHBondContact O-N 3.4Å; I560-F564 HydrophobicContact CG1-CE2 4.47Å; I560-F564 HydrophobicContact CG2-CD2 3.86Å; I560-F564 HydrophobicContact CG2-CE2 3.87Å; I560-F564 VanDerWaalsContact O-CD2 3.24Å; I560-F564 WeakPolarHBondContact O-CD2 3.45Å; I560-F564 PolarHBondContact O-N 3.02Å; I560-F564 VanDerWaalsContact O-N 3.08Å
561Q64.2Low69.1Low120 Ų12080 Ų8056%0.56146%0.457SS*.Hα-helixtrans-62.5-51.6-177.3-82.6-179.2-58.300112.7L563 G565Q561-L563 VanDerWaalsContact C-N 3.34Å; Q561-L563 PolarHBondContact O-N 3.35Å; Q561-G565 PolarHBondContact O-N 3.09Å
562P62.4Low68.1Low24 Ų2483.5 Ų83.516%0.15648%0.475CS..Hα-helixtrans-61-38.2173.6-24.834.4000113.6F135 L270 L558 F559 F564 G565 F566F135-P562 HydrophobicContact CD2-CB 4.4Å; L270-P562 HydrophobicContact CD2-CG 3.65Å; L558-P562 WeakPolarHBondContact O-CD 3.5Å; F559-P562 WeakPolarHBondContact O-CD 3.45Å; P562-F564 PolarHBondContact O-N 2.56Å; P562-G565 PolarHBondContact O-N 3.24Å; P562-F566 PolarHBondContact O-N 2.87Å; P562-F566 VanDerWaalsContact O-N 3.08Å
563L58.8Low67Low117 Ų11783.8 Ų83.861%0.61348%0.475SS*.Hα-helixtrans-65.8-41.9-176.6-154.486.5000112.1F559 I560 Q561 G565 F566 V567F559-L563 VanDerWaalsContact O-CB 3.29Å; F559-L563 WeakPolarHBondContact O-CB 3.45Å; F559-L563 PolarHBondContact O-N 3.37Å; F559-L563 VanDerWaalsContact O-N 3.12Å; I560-L563 PolarHBondContact O-N 3.4Å; Q561-L563 VanDerWaalsContact C-N 3.34Å; Q561-L563 PolarHBondContact O-N 3.35Å; L563-G565 VanDerWaalsContact C-N 3.31Å; L563-G565 PolarHBondContact O-N 3.49Å; L563-F566 PolarHBondContact O-N 3.08Å; L563-V567 WeakPolarHBondContact O-CB 3.13Å; L563-V567 WeakPolarHBondContact O-CG2 3.41Å; L563-V567 PolarHBondContact O-N 3.39Å; L563-V567 VanDerWaalsContact O-N 3.08Å
564F60.3Low65.7Low149 Ų14981.6 Ų81.665%0.65447%0.466SS*.Hα-helixtrans-66.8-32.4174.3-79-66.4000112.7I560 P562 F566 S568I560-F564 HydrophobicContact CG1-CE2 4.47Å; I560-F564 HydrophobicContact CG2-CD2 3.86Å; I560-F564 HydrophobicContact CG2-CE2 3.87Å; I560-F564 VanDerWaalsContact O-CD2 3.24Å; I560-F564 WeakPolarHBondContact O-CD2 3.45Å; I560-F564 PolarHBondContact O-N 3.02Å; I560-F564 VanDerWaalsContact O-N 3.08Å; P562-F564 PolarHBondContact O-N 2.56Å; F564-F566 VanDerWaalsContact C-N 3.29Å; F564-F566 PolarHBondContact O-N 3.44Å; F564-S568 WeakPolarHBondContact O-CB 3.42Å; F564-S568 PolarHBondContact O-N 3.05Å
565G54.7Low64.5Low54 Ų5486.4 Ų86.456%0.55749%0.489SS*.Hα-helixtrans-75-11174.700000115.3Q561 P562 L563Q561-G565 PolarHBondContact O-N 3.09Å; P562-G565 PolarHBondContact O-N 3.24Å; L563-G565 VanDerWaalsContact C-N 3.31Å; L563-G565 PolarHBondContact O-N 3.49Å
566F53.7Low63.2Low144 Ų14490.8 Ų90.863%0.63251%0.513SS*.Hα-helixtrans-104.3-23.6176.2-173.1-92.2000113.1P562 L563 F564P562-F566 PolarHBondContact O-N 2.87Å; P562-F566 VanDerWaalsContact O-N 3.08Å; L563-F566 PolarHBondContact O-N 3.08Å; F564-F566 VanDerWaalsContact C-N 3.29Å; F564-F566 PolarHBondContact O-N 3.44Å
567V50.6Low61.6Low117 Ų11790.1 Ų90.171%0.70952%0.515SS*.Hα-helixtrans-90.6-17.3178.5174.40000112.4L563L563-V567 WeakPolarHBondContact O-CB 3.13Å; L563-V567 WeakPolarHBondContact O-CG2 3.41Å; L563-V567 PolarHBondContact O-N 3.39Å; L563-V567 VanDerWaalsContact O-N 3.08Å
568S41.7Very low60.2Low153 Ų15394.4 Ų94.4100%1.0752%0.521SS*.  trans-96.50170.9-174.10000112.8F564F564-S568 WeakPolarHBondContact O-CB 3.42Å; F564-S568 PolarHBondContact O-N 3.05Å

Retrieved 568 of 568 residues in 218.3 ms (Link to these results)

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