A0A087YGW5_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087YGW5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 951 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
1M61.6Low70.5Confident78 Ų7828.8 Ų28.838%0.38417%0.167SC..  0145.90-177170.473.300108I3 Q12 W13 L254 A322M1-I3 HydrophobicContact CE-CD1 3.68Å; M1-I3 HydrophobicContact CE-CG1 3.79Å; M1-Q12 WeakPolarHBondContact O-CA 3.19Å; M1-W13 HydrophobicContact CB-CB 4.31Å; M1-W13 HydrophobicContact CB-CE3 4.17Å; M1-W13 PolarHBondContact N-O 3.21Å; M1-W13 PolarHBondContact O-N 3.17Å; M1-L254 HydrophobicContact CE-CD1 3.38Å; M1-L254 HydrophobicContact SD-CD1 4.05Å; M1-A322 HydrophobicContact CE-CB 3.37Å; M1-A322 HydrophobicContact SD-CB 4.33Å
2V70.2Confident70.7Confident76 Ų7635.3 Ų35.346%0.46120%0.195SC..EExtended strand (participates in β ladder)trans-100.9133.8171.1-177.70000108.1L10 F11V2-L10 HydrophobicContact CG1-CB 4.18Å; V2-L10 HydrophobicContact CG1-CD1 4.39Å; V2-L10 HydrophobicContact CG1-CD2 4.23Å; V2-F11 CarbonylContact C-O 3.59Å; V2-F11 WeakPolarHBondContact CA-O 3.49Å
3I72.3Confident70.7Confident1 Ų135.5 Ų35.51%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-122128.8178.1-46.8179000108M1 F11 M20 L247 L254 L256 W285M1-I3 HydrophobicContact CE-CD1 3.68Å; M1-I3 HydrophobicContact CE-CG1 3.79Å; I3-F11 PolarHBondContact N-O 2.83Å; I3-F11 PolarHBondContact O-N 3.49Å; I3-M20 HydrophobicContact CD1-SD 4.09Å; I3-L247 HydrophobicContact CD1-CD1 4.17Å; I3-L247 HydrophobicContact CG2-CD1 3.99Å; I3-L254 HydrophobicContact CG2-CB 4.12Å; I3-L256 HydrophobicContact CB-CD1 3.86Å; I3-L256 HydrophobicContact CB-CG 4.37Å; I3-L256 HydrophobicContact CG2-CD1 3.73Å; I3-L256 HydrophobicContact CG2-CG 3.68Å; I3-W285 HydrophobicContact CD1-CH2 3.68Å; I3-W285 HydrophobicContact CD1-CZ3 3.61Å
4P73.4Confident70.3Confident11 Ų1135.7 Ų35.77%0.07119%0.192CC..EExtended strand (participates in β ladder)trans-80.5150175.631.3-33.2000112.8L10 F107 L256P4-L10 HydrophobicContact CB-CD2 4.13Å; P4-F107 HydrophobicContact CB-CD1 3.69Å; P4-F107 HydrophobicContact CB-CD2 4.2Å; P4-F107 HydrophobicContact CB-CE1 3.12Å; P4-F107 HydrophobicContact CB-CE2 3.73Å; P4-F107 HydrophobicContact CB-CG 4.2Å; P4-F107 HydrophobicContact CB-CZ 3.16Å; P4-F107 HydrophobicContact CG-CD2 4.24Å; P4-F107 HydrophobicContact CG-CE1 4.08Å; P4-F107 HydrophobicContact CG-CE2 3.73Å; P4-F107 HydrophobicContact CG-CZ 3.66Å; P4-L256 PolarHBondContact O-N 3.27Å
5S75.8Confident69.6Low1 Ų145.4 Ų45.41%0.00723%0.225CC..BIsolated β-bridgetrans-108.9148.5170-177.10000111.8D7 G8 A9 L256S5-D7 WeakPolarHBondContact CB-OD1 3.25Å; S5-D7 PolarHBondContact O-N 2.89Å; S5-D7 PolarHBondContact OG-OD1 3.3Å; S5-D7 PolarHBondContact OG-OD2 3.46Å; S5-G8 PolarHBondContact O-N 2.89Å; S5-A9 WeakPolarHBondContact CB-O 3.35Å; S5-A9 PolarHBondContact N-O 2.96Å; S5-L256 CarbonylContact C-O 3.18Å; S5-L256 WeakPolarHBondContact CA-O 3.47Å
6L73.4Confident68.8Low57 Ų5750.7 Ų50.730%0.29825%0.254SS..THydrogen-bonded Turntrans-71.1-4-179.7-65.6178.7000114.3V109 A199 Y255 L256 Q257L6-V109 VanDerWaalsContact O-CG1 3.22Å; L6-V109 WeakPolarHBondContact O-CG1 3.35Å; L6-A199 HydrophobicContact CD1-CB 4.25Å; L6-Y255 HydrophobicContact CD1-CD2 3.77Å; L6-Y255 HydrophobicContact CD1-CE2 4.09Å; L6-Y255 HydrophobicContact CG-CD2 4.14Å; L6-L256 WeakPolarHBondContact CG-O 3.42Å; L6-L256 PolarHBondContact N-O 2.81Å; L6-Q257 HydrophobicContact CD1-CB 4.16Å; L6-Q257 HydrophobicContact CD1-CG 4Å
7D66.3Low68.1Low45 Ų4556.8 Ų56.824%0.24127%0.273CS..THydrogen-bonded Turntrans-87.2-9.7166.652.328.9000113.2S5 A9 S258S5-D7 WeakPolarHBondContact CB-OD1 3.25Å; S5-D7 PolarHBondContact O-N 2.89Å; S5-D7 PolarHBondContact OG-OD1 3.3Å; S5-D7 PolarHBondContact OG-OD2 3.46Å; D7-A9 WeakPolarHBondContact OD1-CB 3.49Å; D7-A9 PolarHBondContact OD1-N 3.41Å; D7-S258 WeakPolarHBondContact OD2-CB 3.39Å; D7-S258 PolarHBondContact OD2-OG 2.95Å
8G65.6Low67.9Low7 Ų758.2 Ų58.27%0.07228%0.28CS..SBendtrans93.72.1-174.500000115.1S5 V27S5-G8 PolarHBondContact O-N 2.89Å; G8-V27 VanDerWaalsContact O-CG2 3.32Å; G8-V27 WeakPolarHBondContact O-CG2 3.32Å
9A69.6Low67.8Low29 Ų2955.8 Ų55.824%0.2427%0.27CS..  trans-74.3156.2171.200000111.9S5 D7 F11S5-A9 WeakPolarHBondContact CB-O 3.35Å; S5-A9 PolarHBondContact N-O 2.96Å; D7-A9 WeakPolarHBondContact OD1-CB 3.49Å; D7-A9 PolarHBondContact OD1-N 3.41Å; A9-F11 HydrophobicContact CB-CE2 3.92Å
10L72.6Confident67.9Low11 Ų1153.2 Ų53.26%0.05826%0.257CS..EExtended strand (participates in β ladder)trans-113.7138.5170.5-65.7-177.3000110.1V2 P4 V23 F25 V93 F107V2-L10 HydrophobicContact CG1-CB 4.18Å; V2-L10 HydrophobicContact CG1-CD1 4.39Å; V2-L10 HydrophobicContact CG1-CD2 4.23Å; P4-L10 HydrophobicContact CB-CD2 4.13Å; L10-V23 HydrophobicContact CB-CB 4.36Å; L10-V23 HydrophobicContact CB-CG2 4.26Å; L10-V23 WeakPolarHBondContact O-CB 3.4Å; L10-V23 VanDerWaalsContact O-CG2 3.31Å; L10-V23 WeakPolarHBondContact O-CG2 3.25Å; L10-V23 PolarHBondContact O-N 3.31Å; L10-F25 HydrophobicContact CD1-CE2 4.18Å; L10-V93 HydrophobicContact CD1-CG1 4.24Å; L10-V93 HydrophobicContact CD1-CG2 4.16Å; L10-F107 HydrophobicContact CD2-CD1 4.32Å
11F74.5Confident68Low1 Ų153 Ų530%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-120.2139.1179.2-73.2-92.3000110.6V2 I3 A9 M20 A22 L256 F266V2-F11 CarbonylContact C-O 3.59Å; V2-F11 WeakPolarHBondContact CA-O 3.49Å; I3-F11 PolarHBondContact N-O 2.83Å; I3-F11 PolarHBondContact O-N 3.49Å; A9-F11 HydrophobicContact CB-CE2 3.92Å; F11-M20 HydrophobicContact CB-CE 4.43Å; F11-M20 HydrophobicContact CB-CG 3.75Å; F11-M20 HydrophobicContact CB-SD 3.87Å; F11-M20 HydrophobicContact CD1-CE 4.05Å; F11-M20 HydrophobicContact CD1-CG 4.14Å; F11-M20 HydrophobicContact CD1-SD 4.48Å; F11-M20 HydrophobicContact CG-CE 4.26Å; F11-M20 HydrophobicContact CG-CG 4.33Å; F11-M20 HydrophobicContact CG-SD 4.34Å; F11-A22 HydrophobicContact CD1-CB 4.2Å; F11-A22 HydrophobicContact CE1-CB 3.94Å; F11-L256 HydrophobicContact CB-CD1 3.72Å; F11-L256 HydrophobicContact CD2-CD1 3.51Å; F11-L256 HydrophobicContact CE2-CD1 4.3Å; F11-L256 HydrophobicContact CG-CD1 3.71Å; F11-F266 AromaticContact CE1-CE1 3.74Å; F11-F266 HydrophobicContact CE1-CE1 3.74Å; F11-F266 AromaticContact CE1-CZ 3.99Å; F11-F266 HydrophobicContact CE1-CZ 3.99Å; F11-F266 AromaticContact CZ-CE1 3.67Å; F11-F266 HydrophobicContact CZ-CE1 3.67Å; F11-F266 AromaticContact CZ-CZ 3.71Å; F11-F266 HydrophobicContact CZ-CZ 3.71Å
12Q73.6Confident68.3Low106 Ų10649.9 Ų49.950%0.49524%0.242SC..EExtended strand (participates in β ladder)trans-107.1117.1176.4-178.4169.8-10.200110.4M1 N14 M20 E21 V23M1-Q12 WeakPolarHBondContact O-CA 3.19Å; Q12-N14 PolarHBondContact O-N 3.29Å; Q12-M20 WeakPolarHBondContact O-CA 3.36Å; Q12-E21 PolarHBondContact N-O 2.94Å; Q12-E21 PolarHBondContact O-N 2.8Å; Q12-V23 HydrophobicContact CB-CG2 3.84Å
13W70.2Confident68.4Low39 Ų3947.3 Ų47.315%0.14823%0.227CC..EExtended strand (participates in β ladder)trans-74.1122.6168.8178.961.4000110.5M1 R15 W285 A322M1-W13 HydrophobicContact CB-CB 4.31Å; M1-W13 HydrophobicContact CB-CE3 4.17Å; M1-W13 PolarHBondContact N-O 3.21Å; M1-W13 PolarHBondContact O-N 3.17Å; W13-R15 HydrophobicContact CH2-CB 4.06Å; W13-R15 HydrophobicContact CH2-CG 3.8Å; W13-R15 HydrophobicContact CZ2-CB 4.33Å; W13-R15 HydrophobicContact CZ2-CG 4.2Å; W13-R15 HydrophobicContact CZ3-CB 4.26Å; W13-R15 HydrophobicContact CZ3-CG 4.35Å; W13-W285 AromaticContact CD1-CD2 3.4Å; W13-W285 AromaticContact CD1-CE2 3.93Å; W13-W285 AromaticContact CD1-CE3 3.59Å; W13-W285 AromaticContact CD1-CG 3.63Å; W13-W285 HydrophobicContact CG-CD2 4.34Å; W13-W285 HydrophobicContact CG-CE3 4.38Å; W13-W285 AromaticContact NE1-CD1 3.33Å; W13-W285 VanDerWaalsContact NE1-CD1 3.33Å; W13-W285 AromaticContact NE1-CD2 3.38Å; W13-W285 AromaticContact NE1-CE2 3.65Å; W13-W285 AromaticContact NE1-CG 3.22Å; W13-W285 AromaticContact NE1-NE1 3.59Å; W13-A322 HydrophobicContact CD2-CB 3.97Å; W13-A322 HydrophobicContact CE3-CB 3.81Å; W13-A322 HydrophobicContact CH2-CB 4.18Å; W13-A322 HydrophobicContact CZ2-CB 4.32Å; W13-A322 HydrophobicContact CZ3-CB 3.92Å
14N65.8Low68Low38 Ų3850.3 Ų50.320%0.20325%0.246CC..EExtended strand (participates in β ladder)trans-105.8100.1-178.3-170.3-22.5000109.7Q12 D16 R17 E18 S19Q12-N14 PolarHBondContact O-N 3.29Å; N14-D16 VanDerWaalsContact C-N 3.29Å; N14-D16 PolarHBondContact O-N 2.92Å; N14-R17 HydrophobicContact CB-CB 4.43Å; N14-R17 WeakPolarHBondContact ND2-CD 3.27Å; N14-R17 PolarHBondContact O-N 3.43Å; N14-E18 PolarHBondContact O-N 2.72Å; N14-S19 PolarHBondContact N-O 2.91Å
15R58.9Low67.8Low181 Ų18150.4 Ų50.468%0.68325%0.245SC*.G310 helixtrans-57.1-40.9-173.1-170.7-17371.8160.54112.7W13 R17W13-R15 HydrophobicContact CH2-CB 4.06Å; W13-R15 HydrophobicContact CH2-CG 3.8Å; W13-R15 HydrophobicContact CZ2-CB 4.33Å; W13-R15 HydrophobicContact CZ2-CG 4.2Å; W13-R15 HydrophobicContact CZ3-CB 4.26Å; W13-R15 HydrophobicContact CZ3-CG 4.35Å; R15-R17 PolarHBondContact O-N 3.34Å
16D57.5Low67.5Low130 Ų13051.8 Ų51.870%0.69526%0.255SS*.G310 helixtrans-83.23.3-170.4-49-28.8000112.7N14N14-D16 VanDerWaalsContact C-N 3.29Å; N14-D16 PolarHBondContact O-N 2.92Å
17R57Low67.6Low154 Ų15449.4 Ų49.458%0.58124%0.243SC*.G310 helixtrans-126.3-5.3180-67.9-169.6-178.1169.91.6115N14 R15 S19 E21N14-R17 HydrophobicContact CB-CB 4.43Å; N14-R17 WeakPolarHBondContact ND2-CD 3.27Å; N14-R17 PolarHBondContact O-N 3.43Å; R15-R17 PolarHBondContact O-N 3.34Å; R17-S19 VanDerWaalsContact CB-OG 3.28Å; R17-S19 WeakPolarHBondContact CB-OG 3.33Å; R17-S19 PolarHBondContact O-N 3.03Å; R17-E21 WeakPolarHBondContact CD-OE1 3.39Å; R17-E21 IonicContact CZ-OE1 3.04Å; R17-E21 IonicContact NE-OE1 2.64Å; R17-E21 IonicContact NH1-OE1 2.62Å; R17-E21 PolarHBondContact NH1-OE1 3.2Å; R17-E21 IonicContact NH1-OE2 3.35Å; R17-E21 PolarHBondContact NH1-OE2 3.22Å
18E64.1Low68Low83 Ų8350 Ų5039%0.38824%0.244SC..THydrogen-bonded Turntrans48.934.3-165.8-56-176.2142.300112.5N14 W285 K286N14-E18 PolarHBondContact O-N 2.72Å; E18-W285 WeakPolarHBondContact O-CB 3.46Å; E18-W285 PolarHBondContact O-N 2.85Å; E18-K286 WeakPolarHBondContact OE1-CE 3.46Å; E18-K286 IonicContact OE1-NZ 3.49Å; E18-K286 PolarHBondContact OE1-NZ 2.82Å; E18-K286 WeakPolarHBondContact OE2-CE 3.45Å; E18-K286 IonicContact OE2-NZ 3.49Å
19S65.3Low68.4Low13 Ų1351 Ų519%0.09125%0.25CC..EExtended strand (participates in β ladder)trans-120.7154.8-176.767.50000112N14 R17 E21N14-S19 PolarHBondContact N-O 2.91Å; R17-S19 VanDerWaalsContact CB-OG 3.28Å; R17-S19 WeakPolarHBondContact CB-OG 3.33Å; R17-S19 PolarHBondContact O-N 3.03Å; S19-E21 PolarHBondContact OG-OE1 3.49Å
20M69.6Low68.8Low3 Ų349.7 Ų49.72%0.01524%0.239CC..EExtended strand (participates in β ladder)trans-119.2113168.8-176174.57400107.5I3 F11 Q12 L256 V283 W285I3-M20 HydrophobicContact CD1-SD 4.09Å; F11-M20 HydrophobicContact CB-CE 4.43Å; F11-M20 HydrophobicContact CB-CG 3.75Å; F11-M20 HydrophobicContact CB-SD 3.87Å; F11-M20 HydrophobicContact CD1-CE 4.05Å; F11-M20 HydrophobicContact CD1-CG 4.14Å; F11-M20 HydrophobicContact CD1-SD 4.48Å; F11-M20 HydrophobicContact CG-CE 4.26Å; F11-M20 HydrophobicContact CG-CG 4.33Å; F11-M20 HydrophobicContact CG-SD 4.34Å; Q12-M20 WeakPolarHBondContact O-CA 3.36Å; M20-L256 HydrophobicContact CE-CD1 3.71Å; M20-L256 HydrophobicContact CE-CD2 3.76Å; M20-L256 HydrophobicContact CE-CG 4.4Å; M20-L256 HydrophobicContact SD-CD1 3.61Å; M20-L256 HydrophobicContact SD-CD2 4.08Å; M20-L256 HydrophobicContact SD-CG 4.47Å; M20-V283 HydrophobicContact CB-CB 4.44Å; M20-V283 HydrophobicContact CE-CB 4.06Å; M20-V283 HydrophobicContact CE-CG1 4.28Å; M20-V283 HydrophobicContact CE-CG2 4.3Å; M20-V283 PolarHBondContact N-O 3.17Å; M20-V283 PolarHBondContact O-N 2.82Å; M20-W285 HydrophobicContact CB-CE3 4.31Å; M20-W285 HydrophobicContact SD-CE3 4.34Å; M20-W285 HydrophobicContact SD-CZ3 4.02Å
21E70.7Confident68.9Low50 Ų5053.1 Ų53.123%0.23426%0.257CS..EExtended strand (participates in β ladder)trans-105.2132.4-171.5-52.4-175.5165.300107.6Q12 R17 S19 T282Q12-E21 PolarHBondContact N-O 2.94Å; Q12-E21 PolarHBondContact O-N 2.8Å; R17-E21 WeakPolarHBondContact CD-OE1 3.39Å; R17-E21 IonicContact CZ-OE1 3.04Å; R17-E21 IonicContact NE-OE1 2.64Å; R17-E21 IonicContact NH1-OE1 2.62Å; R17-E21 PolarHBondContact NH1-OE1 3.2Å; R17-E21 IonicContact NH1-OE2 3.35Å; R17-E21 PolarHBondContact NH1-OE2 3.22Å; S19-E21 PolarHBondContact OG-OE1 3.49Å; E21-T282 HydrophobicContact CB-CG2 4.29Å; E21-T282 HydrophobicContact CG-CG2 3.86Å
22A68.5Low68.9Low11 Ų1161.2 Ų61.29%0.09130%0.295CS..EExtended strand (participates in β ladder)trans-63.6136.7175.300000109.6F11 F266 L280 P281F11-A22 HydrophobicContact CD1-CB 4.2Å; F11-A22 HydrophobicContact CE1-CB 3.94Å; A22-F266 HydrophobicContact CB-CD1 4.16Å; A22-F266 HydrophobicContact CB-CE1 3.98Å; A22-L280 WeakPolarHBondContact O-CD1 3.33Å; A22-P281 HydrophobicContact CB-CG 4.25Å; A22-P281 PolarHBondContact N-O 2.97Å
23V70.9Confident68.9Low23 Ų2359.2 Ų59.214%0.13929%0.292CS..  trans-78.8137.4-178.9-175.60000108.9L10 Q12 F25L10-V23 HydrophobicContact CB-CB 4.36Å; L10-V23 HydrophobicContact CB-CG2 4.26Å; L10-V23 WeakPolarHBondContact O-CB 3.4Å; L10-V23 VanDerWaalsContact O-CG2 3.31Å; L10-V23 WeakPolarHBondContact O-CG2 3.25Å; L10-V23 PolarHBondContact O-N 3.31Å; Q12-V23 HydrophobicContact CB-CG2 3.84Å; V23-F25 HydrophobicContact CB-CZ 4.44Å; V23-F25 HydrophobicContact CG1-CD1 3.87Å; V23-F25 HydrophobicContact CG1-CD2 4.47Å; V23-F25 HydrophobicContact CG1-CE1 3.23Å; V23-F25 HydrophobicContact CG1-CE2 3.93Å; V23-F25 HydrophobicContact CG1-CG 4.44Å; V23-F25 HydrophobicContact CG1-CZ 3.25Å; V23-F25 PolarHBondContact O-N 2.97Å
24P64.9Low69.3Low63 Ų6360.9 Ų60.941%0.40931%0.31SS..SBendtrans-66.59.3-167.521.6-33.5000117.7L280P24-L280 HydrophobicContact CB-CD1 3.86Å; P24-L280 HydrophobicContact CB-CD2 4.29Å; P24-L280 HydrophobicContact CG-CD1 4.28Å
25F68.8Low69.9Low13 Ų1364 Ų646%0.05732%0.32CS..  trans-132.9135.2178.551.9-98.4000110.6L10 V23 L30 Y35 I37 L43L10-F25 HydrophobicContact CD1-CE2 4.18Å; V23-F25 HydrophobicContact CB-CZ 4.44Å; V23-F25 HydrophobicContact CG1-CD1 3.87Å; V23-F25 HydrophobicContact CG1-CD2 4.47Å; V23-F25 HydrophobicContact CG1-CE1 3.23Å; V23-F25 HydrophobicContact CG1-CE2 3.93Å; V23-F25 HydrophobicContact CG1-CG 4.44Å; V23-F25 HydrophobicContact CG1-CZ 3.25Å; V23-F25 PolarHBondContact O-N 2.97Å; F25-L30 HydrophobicContact CB-CD2 4.26Å; F25-L30 HydrophobicContact CB-CG 4.24Å; F25-L30 HydrophobicContact CD2-CD1 3.5Å; F25-L30 HydrophobicContact CD2-CD2 3.89Å; F25-L30 HydrophobicContact CD2-CG 3.67Å; F25-L30 HydrophobicContact CE2-CD1 3.83Å; F25-L30 HydrophobicContact CE2-CG 4.43Å; F25-L30 HydrophobicContact CG-CD1 4.48Å; F25-L30 HydrophobicContact CG-CD2 4.1Å; F25-L30 HydrophobicContact CG-CG 4.21Å; F25-Y35 AromaticContact CD1-CD1 3.61Å; F25-Y35 HydrophobicContact CD1-CD1 3.61Å; F25-Y35 AromaticContact CD1-CD2 3.7Å; F25-Y35 HydrophobicContact CD1-CD2 3.7Å; F25-Y35 AromaticContact CD1-CE1 3.97Å; F25-Y35 HydrophobicContact CD1-CE1 3.97Å; F25-Y35 HydrophobicContact CD1-CE2 4.05Å; F25-Y35 AromaticContact CD1-CG 3.45Å; F25-Y35 HydrophobicContact CD1-CG 3.45Å; F25-Y35 VanDerWaalsContact CD1-CG 3.45Å; F25-Y35 AromaticContact CE1-CD1 3.23Å; F25-Y35 HydrophobicContact CE1-CD1 3.23Å; F25-Y35 HydrophobicContact CE1-CD2 4.2Å; F25-Y35 AromaticContact CE1-CE1 3.51Å; F25-Y35 HydrophobicContact CE1-CE1 3.51Å; F25-Y35 HydrophobicContact CE1-CE2 4.42Å; F25-Y35 AromaticContact CE1-CG 3.61Å; F25-Y35 HydrophobicContact CE1-CG 3.61Å; F25-Y35 HydrophobicContact CG-CG 4.29Å; F25-Y35 HydrophobicContact CZ-CD1 4.08Å; F25-I37 HydrophobicContact CZ-CD1 4.31Å; F25-L43 HydrophobicContact CE1-CD1 4.3Å; F25-L43 HydrophobicContact CE2-CD1 3.49Å; F25-L43 VanDerWaalsContact CE2-CD1 3.49Å; F25-L43 HydrophobicContact CZ-CD1 3.3Å
26S70.3Confident70.8Confident31 Ų3161 Ų6122%0.21731%0.308CS..  trans-90.2168169.2660000110.4E28 S29 L30S26-E28 PolarHBondContact O-N 3.3Å; S26-E28 PolarHBondContact OG-N 3.44Å; S26-S29 PolarHBondContact O-N 2.92Å; S26-S29 PolarHBondContact OG-N 3.08Å; S26-L30 WeakPolarHBondContact O-CB 3.31Å; S26-L30 WeakPolarHBondContact O-CG 3.47Å; S26-L30 PolarHBondContact O-N 3.48Å
27V74.4Confident71.6Confident6 Ų658.6 Ų58.64%0.03630%0.295CS..THydrogen-bonded Turntrans-61.7-31170.3-178.90000111.3G8 L30 L31 K91 V93G8-V27 VanDerWaalsContact O-CG2 3.32Å; G8-V27 WeakPolarHBondContact O-CG2 3.32Å; V27-L30 CarbonylContact O-C 3.53Å; V27-L30 PolarHBondContact O-N 3.46Å; V27-L31 WeakPolarHBondContact O-CG 3.44Å; V27-L31 PolarHBondContact O-N 3.04Å; V27-L31 VanDerWaalsContact O-N 3.09Å; V27-K91 HydrophobicContact CB-CB 4.19Å; V27-K91 HydrophobicContact CB-CD 4.23Å; V27-K91 HydrophobicContact CG1-CB 3.96Å; V27-K91 HydrophobicContact CG1-CG 4.46Å; V27-K91 HydrophobicContact CG2-CB 4.13Å; V27-V93 HydrophobicContact CG2-CG2 3.63Å
28E75.2Confident72.3Confident58 Ų5853.9 Ų53.927%0.27129%0.294SS..THydrogen-bonded Turntrans-65.6-48.7174.2-86.8101.2-152.900111.8S26 L30 L31 E32 K47 K91S26-E28 PolarHBondContact O-N 3.3Å; S26-E28 PolarHBondContact OG-N 3.44Å; E28-L30 PolarHBondContact O-N 3.4Å; E28-L31 WeakPolarHBondContact O-CB 3.25Å; E28-L31 PolarHBondContact O-N 3.06Å; E28-E32 PolarHBondContact O-N 3.39Å; E28-K47 IonicContact OE1-NZ 2.67Å; E28-K47 PolarHBondContact OE1-NZ 2.74Å; E28-K91 VanDerWaalsContact CD-NZ 3.31Å; E28-K91 WeakPolarHBondContact OE1-CE 3.37Å; E28-K91 IonicContact OE1-NZ 2.75Å; E28-K91 PolarHBondContact OE1-NZ 3.08Å; E28-K91 IonicContact OE2-NZ 3.9Å; E28-K91 PolarHBondContact OE2-NZ 3.22Å
29S73.2Confident72.6Confident27 Ų2758.1 Ų58.119%0.18931%0.314CS..Hα-helixtrans-59.8-31.3172.3170.60000112.6S26 L31 E32 S33S26-S29 PolarHBondContact O-N 2.92Å; S26-S29 PolarHBondContact OG-N 3.08Å; S29-L31 VanDerWaalsContact C-N 3.34Å; S29-E32 PolarHBondContact O-N 2.96Å; S29-S33 PolarHBondContact O-N 2.89Å; S29-S33 PolarHBondContact O-OG 2.96Å
30L77.9Confident73.4Confident3 Ų360.2 Ų60.22%0.01632%0.324CS..Hα-helixtrans-77.1-10.6174.3-71.8-177000115.1F25 S26 V27 E28 S33 L43 G45 V93F25-L30 HydrophobicContact CB-CD2 4.26Å; F25-L30 HydrophobicContact CB-CG 4.24Å; F25-L30 HydrophobicContact CD2-CD1 3.5Å; F25-L30 HydrophobicContact CD2-CD2 3.89Å; F25-L30 HydrophobicContact CD2-CG 3.67Å; F25-L30 HydrophobicContact CE2-CD1 3.83Å; F25-L30 HydrophobicContact CE2-CG 4.43Å; F25-L30 HydrophobicContact CG-CD1 4.48Å; F25-L30 HydrophobicContact CG-CD2 4.1Å; F25-L30 HydrophobicContact CG-CG 4.21Å; S26-L30 WeakPolarHBondContact O-CB 3.31Å; S26-L30 WeakPolarHBondContact O-CG 3.47Å; S26-L30 PolarHBondContact O-N 3.48Å; V27-L30 CarbonylContact O-C 3.53Å; V27-L30 PolarHBondContact O-N 3.46Å; E28-L30 PolarHBondContact O-N 3.4Å; L30-S33 CarbonylContact C-O 3.55Å; L30-S33 VanDerWaalsContact CA-O 3.27Å; L30-S33 WeakPolarHBondContact CA-O 3.47Å; L30-L43 HydrophobicContact CD1-CB 4.23Å; L30-L43 HydrophobicContact CD2-CB 4.22Å; L30-G45 VanDerWaalsContact O-CA 3.31Å; L30-G45 WeakPolarHBondContact O-CA 3.14Å; L30-G45 PolarHBondContact O-N 3.02Å; L30-V93 HydrophobicContact CD1-CG1 3.9Å; L30-V93 HydrophobicContact CD1-CG2 4.01Å
31L76.2Confident73.9Confident82 Ų8261.2 Ų61.243%0.42933%0.33SS..Hα-helixtrans-80.1-35167.1-67.6165.4000111V27 E28 S29 K47V27-L31 WeakPolarHBondContact O-CG 3.44Å; V27-L31 PolarHBondContact O-N 3.04Å; V27-L31 VanDerWaalsContact O-N 3.09Å; E28-L31 WeakPolarHBondContact O-CB 3.25Å; E28-L31 PolarHBondContact O-N 3.06Å; S29-L31 VanDerWaalsContact C-N 3.34Å; L31-K47 HydrophobicContact CD1-CB 3.75Å; L31-K47 HydrophobicContact CD1-CD 3.94Å; L31-K47 HydrophobicContact CD2-CB 4.06Å; L31-K47 HydrophobicContact CG-CB 4.48Å
32E73.5Confident74.6Confident172 Ų17259.8 Ų59.880%0.80433%0.325SS*.Hα-helixtrans-82.3-33.1-178.4-64.1170.3172.600111.8E28 S29E28-E32 PolarHBondContact O-N 3.39Å; S29-E32 PolarHBondContact O-N 2.96Å
33S73.5Confident75.4Confident63 Ų6359.4 Ų59.444%0.44132%0.321SS..  trans-147.4142.5-173.767.20000112.9S29 L30S29-S33 PolarHBondContact O-N 2.89Å; S29-S33 PolarHBondContact O-OG 2.96Å; L30-S33 CarbonylContact C-O 3.55Å; L30-S33 VanDerWaalsContact CA-O 3.27Å; L30-S33 WeakPolarHBondContact CA-O 3.47Å
34S78.8Confident76.1Confident74 Ų7460.8 Ų60.852%0.51733%0.33SS..PPolyproline II helixtrans-91127.3176.165.30000111.9L43S34-L43 CarbonylContact C-O 3.57Å; S34-L43 WeakPolarHBondContact CA-O 3.48Å
35Y79.6Confident77.1Confident105 Ų10558.5 Ų58.541%0.41232%0.317SS..EExtended strand (participates in β ladder)trans-98121.1-176.4-170.2-90.2000112.8F25 I37 L43F25-Y35 AromaticContact CD1-CD1 3.61Å; F25-Y35 HydrophobicContact CD1-CD1 3.61Å; F25-Y35 AromaticContact CD1-CD2 3.7Å; F25-Y35 HydrophobicContact CD1-CD2 3.7Å; F25-Y35 AromaticContact CD1-CE1 3.97Å; F25-Y35 HydrophobicContact CD1-CE1 3.97Å; F25-Y35 HydrophobicContact CD1-CE2 4.05Å; F25-Y35 AromaticContact CD1-CG 3.45Å; F25-Y35 HydrophobicContact CD1-CG 3.45Å; F25-Y35 VanDerWaalsContact CD1-CG 3.45Å; F25-Y35 AromaticContact CE1-CD1 3.23Å; F25-Y35 HydrophobicContact CE1-CD1 3.23Å; F25-Y35 HydrophobicContact CE1-CD2 4.2Å; F25-Y35 AromaticContact CE1-CE1 3.51Å; F25-Y35 HydrophobicContact CE1-CE1 3.51Å; F25-Y35 HydrophobicContact CE1-CE2 4.42Å; F25-Y35 AromaticContact CE1-CG 3.61Å; F25-Y35 HydrophobicContact CE1-CG 3.61Å; F25-Y35 HydrophobicContact CG-CG 4.29Å; F25-Y35 HydrophobicContact CZ-CD1 4.08Å; Y35-I37 HydrophobicContact CD1-CD1 4.39Å; Y35-I37 HydrophobicContact CD1-CG1 3.76Å; Y35-I37 HydrophobicContact CE1-CD1 4.5Å; Y35-I37 HydrophobicContact CE1-CG1 3.86Å; Y35-L43 PolarHBondContact N-O 3.31Å; Y35-L43 PolarHBondContact O-N 3.27Å
36R76.4Confident77.8Confident117 Ų11759 Ų5944%0.44233%0.326SS..EExtended strand (participates in β ladder)trans-85123.8-178.4-172.8173-173161.25.8112.3G38 E39 V42 V471R36-G38 WeakPolarHBondContact CG-O 3.34Å; R36-G38 PolarHBondContact NE-O 3.49Å; R36-G38 VanDerWaalsContact NE-O 3.13Å; R36-E39 PolarHBondContact NH2-O 3.08Å; R36-V42 HydrophobicContact CB-CG2 4.41Å; R36-V42 HydrophobicContact CG-CG2 4.24Å; R36-V471 PolarHBondContact NH1-O 2.97Å; R36-V471 VanDerWaalsContact NH1-O 3.15Å
37I74.4Confident78.6Confident80 Ų8062.6 Ų62.641%0.4134%0.338SS..  trans-109.596.1173.5-60-170.6000109.5F25 Y35 T41 L43F25-I37 HydrophobicContact CZ-CD1 4.31Å; Y35-I37 HydrophobicContact CD1-CD1 4.39Å; Y35-I37 HydrophobicContact CD1-CG1 3.76Å; Y35-I37 HydrophobicContact CE1-CD1 4.5Å; Y35-I37 HydrophobicContact CE1-CG1 3.86Å; I37-T41 PolarHBondContact N-O 3.06Å; I37-T41 WeakPolarHBondContact O-CB 3.33Å; I37-L43 HydrophobicContact CD1-CD1 3.52Å; I37-L43 HydrophobicContact CD1-CG 3.95Å; I37-L43 HydrophobicContact CG1-CD1 4.26Å; I37-L43 HydrophobicContact CG1-CG 4.25Å
38G71.6Confident79.3Confident55 Ų5565.4 Ų65.457%0.56736%0.358SS*.SBendtrans67.5-165-176.500000113R36R36-G38 WeakPolarHBondContact CG-O 3.34Å; R36-G38 PolarHBondContact NE-O 3.49Å; R36-G38 VanDerWaalsContact NE-O 3.13Å
39E71.8Confident79.9Confident171 Ų17166.6 Ų66.680%0.79937%0.365SS*.SBendtrans-74.5-34.3-170.9-65178.5-173.200113.3R36R36-E39 PolarHBondContact NH2-O 3.08Å
40D80.5Confident80.7Confident57 Ų5766.5 Ų66.531%0.30536%0.364SS..SBendtrans-111.113.4-167.3-173.155000114.1R97 P98 K104D40-R97 VanDerWaalsContact CG-NE 3.33Å; D40-R97 WeakPolarHBondContact OD1-CD 3.42Å; D40-R97 WeakPolarHBondContact OD1-CG 3.36Å; D40-R97 IonicContact OD1-CZ 3.92Å; D40-R97 IonicContact OD1-NE 3.47Å; D40-R97 PolarHBondContact OD1-NE 3.24Å; D40-R97 IonicContact OD1-NH2 2.69Å; D40-R97 IonicContact OD2-CZ 3.81Å; D40-R97 VanDerWaalsContact OD2-CZ 3.32Å; D40-R97 IonicContact OD2-NE 3.73Å; D40-R97 PolarHBondContact OD2-NE 2.63Å; D40-R97 IonicContact OD2-NH2 3.66Å; D40-R97 PolarHBondContact OD2-NH2 3.2Å; D40-P98 VanDerWaalsContact C-CD 3.43Å; D40-P98 WeakPolarHBondContact O-CD 3.49Å; D40-K104 VanDerWaalsContact O-CE 3.22Å; D40-K104 WeakPolarHBondContact O-CE 2.97Å; D40-K104 PolarHBondContact O-NZ 3.05Å; D40-K104 VanDerWaalsContact OD2-CE 3.26Å; D40-K104 WeakPolarHBondContact OD2-CE 3.36Å; D40-K104 IonicContact OD2-NZ 2.65Å; D40-K104 PolarHBondContact OD2-NZ 3Å
41T81.6Confident81.4Confident24 Ų2467.8 Ų67.815%0.14737%0.372CS..  trans-143.1133.4179.5-36.70000112.9I37 L43 A95 K104I37-T41 PolarHBondContact N-O 3.06Å; I37-T41 WeakPolarHBondContact O-CB 3.33Å; T41-L43 HydrophobicContact CG2-CD2 4.48Å; T41-A95 HydrophobicContact CG2-CB 3.88Å; T41-K104 HydrophobicContact CG2-CD 4.13Å; T41-K104 PolarHBondContact OG1-NZ 2.84Å
42V85.5Confident82Confident21 Ų2166.1 Ų66.113%0.12736%0.36CS..EExtended strand (participates in β ladder)trans-123.4136.1170.4177.20000108.5R36 V44 I96 P98R36-V42 HydrophobicContact CB-CG2 4.41Å; R36-V42 HydrophobicContact CG-CG2 4.24Å; V42-V44 HydrophobicContact CG1-CG2 4.29Å; V42-I96 PolarHBondContact N-O 3.12Å; V42-I96 PolarHBondContact O-N 3.13Å; V42-P98 HydrophobicContact CG2-CB 3.99Å; V42-P98 HydrophobicContact CG2-CG 4.18Å
43L84.3Confident82.8Confident2 Ų257.9 Ų57.91%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-97.1136.3173.5-58.7-169.9000110.5F25 L30 S34 Y35 I37 T41 V93 R94 A95 W105F25-L43 HydrophobicContact CE1-CD1 4.3Å; F25-L43 HydrophobicContact CE2-CD1 3.49Å; F25-L43 VanDerWaalsContact CE2-CD1 3.49Å; F25-L43 HydrophobicContact CZ-CD1 3.3Å; L30-L43 HydrophobicContact CD1-CB 4.23Å; L30-L43 HydrophobicContact CD2-CB 4.22Å; S34-L43 CarbonylContact C-O 3.57Å; S34-L43 WeakPolarHBondContact CA-O 3.48Å; Y35-L43 PolarHBondContact N-O 3.31Å; Y35-L43 PolarHBondContact O-N 3.27Å; I37-L43 HydrophobicContact CD1-CD1 3.52Å; I37-L43 HydrophobicContact CD1-CG 3.95Å; I37-L43 HydrophobicContact CG1-CD1 4.26Å; I37-L43 HydrophobicContact CG1-CG 4.25Å; T41-L43 HydrophobicContact CG2-CD2 4.48Å; L43-V93 HydrophobicContact CB-CG1 4.35Å; L43-V93 HydrophobicContact CD1-CG1 4.28Å; L43-V93 HydrophobicContact CD2-CG1 4.41Å; L43-R94 WeakPolarHBondContact CA-O 3.39Å; L43-A95 HydrophobicContact CD2-CB 3.47Å; L43-A95 VanDerWaalsContact CD2-CB 3.47Å; L43-W105 HydrophobicContact CD2-CH2 3.91Å; L43-W105 HydrophobicContact CD2-CZ2 4Å
44V85.6Confident83.5Confident53 Ų5356.6 Ų56.632%0.32131%0.31SS..EExtended strand (participates in β ladder)trans-131.8139.4178.4-175.10000109.3V42 R94 I96V42-V44 HydrophobicContact CG1-CG2 4.29Å; V44-R94 PolarHBondContact N-O 3.49Å; V44-R94 PolarHBondContact O-N 3.28Å; V44-I96 HydrophobicContact CB-CD1 4.27Å; V44-I96 HydrophobicContact CG2-CD1 3.96Å
45G85.3Confident83.7Confident14 Ų1453.1 Ų53.114%0.14429%0.286CS..EExtended strand (participates in β ladder)trans-90.2154.8178.900000112.2L30 T92L30-G45 VanDerWaalsContact O-CA 3.31Å; L30-G45 WeakPolarHBondContact O-CA 3.14Å; L30-G45 PolarHBondContact O-N 3.02Å; G45-T92 CarbonylContact C-O 3.56Å; G45-T92 WeakPolarHBondContact CA-O 3.49Å
46G84.8Confident83.7Confident24 Ų2449.6 Ų49.625%0.24728%0.278CS..EExtended strand (participates in β ladder)trans-147.5137.1171.800000110.5K91 T92G46-K91 CarbonylContact O-C 3.58Å; G46-T92 PolarHBondContact N-O 2.91Å; G46-T92 PolarHBondContact O-N 3.37Å
47K87.8Confident83.7Confident107 Ų10752.6 Ų52.647%0.46529%0.291SS..EExtended strand (participates in β ladder)trans-131.9116.2-180-176.5170.6-178.2167.20108.4E28 L31 T89 Q90E28-K47 IonicContact OE1-NZ 2.67Å; E28-K47 PolarHBondContact OE1-NZ 2.74Å; L31-K47 HydrophobicContact CD1-CB 3.75Å; L31-K47 HydrophobicContact CD1-CD 3.94Å; L31-K47 HydrophobicContact CD2-CB 4.06Å; L31-K47 HydrophobicContact CG-CB 4.48Å; K47-T89 HydrophobicContact CG-CG2 4.17Å; K47-Q90 WeakPolarHBondContact CA-O 3.48Å
48S87.4Confident83.9Confident64 Ų6451.4 Ų51.445%0.44829%0.29SS..EExtended strand (participates in β ladder)trans-109.4142.1172.8-172.20000109.6Q90S48-Q90 PolarHBondContact N-O 2.92Å; S48-Q90 PolarHBondContact O-N 3.18Å
49L89.4Confident84.1Confident83 Ų8351.5 Ų51.544%0.43529%0.29SS..EExtended strand (participates in β ladder)trans-117.6132.8176.3-171.465.3000108.9Q87 T89L49-Q87 HydrophobicContact CD1-CG 3.65Å; L49-T89 WeakPolarHBondContact CD1-OG1 3.29Å
50T89.6Confident84.6Confident26 Ų2649.4 Ų49.416%0.1628%0.279CS..EExtended strand (participates in β ladder)trans-143.8122.5175.3-51.10000109Y52 I64 C65 R88T50-Y52 HydrophobicContact CG2-CE1 4.14Å; T50-Y52 HydrophobicContact CG2-CE2 3.88Å; T50-I64 HydrophobicContact CG2-CG2 3.92Å; T50-C65 CarbonylContact C-O 3.54Å; T50-C65 WeakPolarHBondContact CA-O 3.32Å; T50-R88 PolarHBondContact N-O 3.31Å; T50-R88 WeakPolarHBondContact O-CA 3.45Å; T50-R88 WeakPolarHBondContact O-CB 3.09Å; T50-R88 PolarHBondContact O-N 3.05Å
51T91.6Very high84.8Confident29 Ų2949.6 Ų49.618%0.17828%0.279CS..EExtended strand (participates in β ladder)trans-111120.4-177.6-57.20000109.1C65 L85 L86T51-C65 PolarHBondContact N-O 3.13Å; T51-C65 PolarHBondContact O-N 2.75Å; T51-L85 HydrophobicContact CG2-CB 4.39Å; T51-L85 HydrophobicContact CG2-CD2 3.84Å; T51-L86 WeakPolarHBondContact CA-O 3.1Å
52Y90.3Very high84.8Confident47 Ų4750.1 Ų50.118%0.18428%0.278CS..EExtended strand (participates in β ladder)trans-100.4124.1176.4-52.5-93.6000108.6T50 Y63 I64 L86 R88T50-Y52 HydrophobicContact CG2-CE1 4.14Å; T50-Y52 HydrophobicContact CG2-CE2 3.88Å; Y52-Y63 WeakPolarHBondContact CA-O 3.23Å; Y52-I64 HydrophobicContact CD1-CB 4.49Å; Y52-I64 HydrophobicContact CD1-CD1 4.28Å; Y52-I64 HydrophobicContact CD1-CG1 4.01Å; Y52-I64 HydrophobicContact CD1-CG2 4.02Å; Y52-I64 HydrophobicContact CE1-CD1 4.27Å; Y52-I64 HydrophobicContact CE1-CG1 4.39Å; Y52-I64 HydrophobicContact CE1-CG2 3.89Å; Y52-L86 HydrophobicContact CD2-CD2 4.44Å; Y52-L86 WeakPolarHBondContact CD2-O 3.44Å; Y52-L86 PolarHBondContact N-O 2.69Å; Y52-L86 PolarHBondContact O-N 2.91Å; Y52-R88 HydrophobicContact CE2-CB 3.97Å
53G89.2Confident84.8Confident0 Ų052.6 Ų52.60%029%0.286CS..EExtended strand (participates in β ladder)trans-82.2115.6164.800000108.9I61 R62 Y63G53-I61 CarbonylContact O-C 3.57Å; G53-I61 WeakPolarHBondContact O-CA 3.37Å; G53-R62 PolarHBondContact O-N 3.08Å; G53-Y63 PolarHBondContact N-O 3.23Å; G53-Y63 PolarHBondContact O-N 3.43Å
54L87.9Confident85Confident36 Ų3654.1 Ų54.119%0.18829%0.294CS..EExtended strand (participates in β ladder)trans-108.6140.4177.1-57.7176000109.9A56 K60 I61 V83 L84 L86L54-A56 PolarHBondContact O-N 3.09Å; L54-K60 CarbonylContact C-O 3.56Å; L54-K60 WeakPolarHBondContact CA-O 3.4Å; L54-I61 HydrophobicContact CD2-CB 4.31Å; L54-I61 HydrophobicContact CD2-CG1 3.63Å; L54-V83 CarbonylContact O-C 3.55Å; L54-V83 WeakPolarHBondContact O-CA 3.23Å; L54-L84 HydrophobicContact CB-CB 4.13Å; L54-L84 PolarHBondContact N-O 3.23Å; L54-L84 PolarHBondContact O-N 3.45Å; L54-L86 HydrophobicContact CD1-CB 3.99Å; L54-L86 HydrophobicContact CD1-CD2 4.09Å; L54-L86 HydrophobicContact CG-CB 4.5Å
55G83.3Confident85.1Confident1 Ų152.9 Ų52.91%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-66.2126.9167.900000111.5Y57 G59 K60 E81G55-Y57 PolarHBondContact O-N 3.12Å; G55-G59 WeakPolarHBondContact O-CA 3.23Å; G55-G59 PolarHBondContact O-N 2.81Å; G55-K60 PolarHBondContact N-O 2.7Å; G55-E81 VanDerWaalsContact C-OE2 3.25Å; G55-E81 VanDerWaalsContact CA-OE1 3.27Å; G55-E81 WeakPolarHBondContact CA-OE1 3.41Å; G55-E81 WeakPolarHBondContact CA-OE2 3.28Å
56A78.8Confident85.2Confident31 Ų3155 Ų5526%0.25630%0.3SS..THydrogen-bonded Turntrans-65.4-23.3-174.800000114.3L54 E81 D82 L84 L116L54-A56 PolarHBondContact O-N 3.09Å; A56-E81 PolarHBondContact N-OE2 3.23Å; A56-D82 HydrophobicContact CB-CB 3.93Å; A56-D82 WeakPolarHBondContact CB-O 3.49Å; A56-D82 PolarHBondContact N-O 3.49Å; A56-L84 HydrophobicContact CB-CD1 4.33Å; A56-L84 HydrophobicContact CB-CG 4.14Å; A56-L116 HydrophobicContact CB-CD1 4.3Å
57Y77.6Confident84.9Confident179 Ų17959.2 Ų59.270%0.70233%0.332SS*.THydrogen-bonded Turntrans-112.6-35.9-178.5-53.7-78000111.9G55 E81 D82G55-Y57 PolarHBondContact O-N 3.12Å; Y57-E81 HydrophobicContact CD2-CB 4.33Å; Y57-E81 HydrophobicContact CD2-CG 4.32Å; Y57-E81 PolarHBondContact N-OE2 3.38Å; Y57-D82 HydrophobicContact CE2-CB 4.32Å; Y57-D82 PolarHBondContact OH-OD2 3.38Å
58S78.5Confident84.3Confident56 Ų5657.9 Ų57.939%0.39235%0.349SS..THydrogen-bonded Turntrans-82.9-22.6-179.671.60000113.9K60 E81S58-K60 PolarHBondContact O-N 3.28Å; S58-K60 VanDerWaalsContact O-N 3.09Å; S58-K60 PolarHBondContact OG-N 3.25Å; S58-E81 WeakPolarHBondContact CB-OE2 3.35Å; S58-E81 PolarHBondContact N-OE2 3Å; S58-E81 VanDerWaalsContact OG-CD 3.3Å; S58-E81 PolarHBondContact OG-OE1 2.97Å; S58-E81 PolarHBondContact OG-OE2 3.01Å; S58-E81 VanDerWaalsContact OG-OE2 3.08Å
59G75.4Confident84Confident56 Ų5656.8 Ų56.858%0.57735%0.347SS*.  trans65.22.9-173.400000114.8G55G55-G59 WeakPolarHBondContact O-CA 3.23Å; G55-G59 PolarHBondContact O-N 2.81Å
60K82.3Confident83.7Confident128 Ų12857.2 Ų57.256%0.55736%0.356SS*.  trans-75.8143.3-178.4-68.5-177.4177-178.20111.1L54 G55 S58 R62 M78L54-K60 CarbonylContact C-O 3.56Å; L54-K60 WeakPolarHBondContact CA-O 3.4Å; G55-K60 PolarHBondContact N-O 2.7Å; S58-K60 PolarHBondContact O-N 3.28Å; S58-K60 VanDerWaalsContact O-N 3.09Å; S58-K60 PolarHBondContact OG-N 3.25Å; K60-R62 PolarHBondContact O-N 3.23Å; K60-M78 HydrophobicContact CB-CE 4.24Å; K60-M78 HydrophobicContact CD-CE 4.15Å
61I85.4Confident83.4Confident60 Ų6058.8 Ų58.831%0.30837%0.368SS..EExtended strand (participates in β ladder)trans-70.7121.1168.1-55.8169.1000108.1G53 L54 I64 W73G53-I61 CarbonylContact O-C 3.57Å; G53-I61 WeakPolarHBondContact O-CA 3.37Å; L54-I61 HydrophobicContact CD2-CB 4.31Å; L54-I61 HydrophobicContact CD2-CG1 3.63Å; I61-I64 HydrophobicContact CG2-CD1 4.21Å; I61-I64 HydrophobicContact CG2-CG1 3.69Å; I61-W73 HydrophobicContact CG2-CB 4.05Å; I61-W73 HydrophobicContact CG2-CG 4.21Å
62R81Confident82.9Confident35 Ų3564.1 Ų64.113%0.13239%0.385CS..EExtended strand (participates in β ladder)trans-92.6-35.3174-68.2179169.5-122-22.8112.2G53 K60 W73 M78 E79 E81G53-R62 PolarHBondContact O-N 3.08Å; K60-R62 PolarHBondContact O-N 3.23Å; R62-W73 PolarHBondContact O-N 3.44Å; R62-M78 HydrophobicContact CG-CE 3.95Å; R62-E79 PolarHBondContact NH1-O 3.47Å; R62-E79 PolarHBondContact NH2-O 2.98Å; R62-E81 IonicContact CZ-OE1 2.72Å; R62-E81 IonicContact NE-OE1 2.69Å; R62-E81 PolarHBondContact NE-OE1 3.19Å; R62-E81 PolarHBondContact NH1-O 3.44Å; R62-E81 VanDerWaalsContact NH2-CG 3.3Å; R62-E81 IonicContact NH2-OE1 3.17Å; R62-E81 PolarHBondContact NH2-OE1 2.86Å
63Y84.6Confident82.1Confident74 Ų7468.8 Ų68.829%0.2940%0.403SS..EExtended strand (participates in β ladder)trans-156.8155177.351.3-96.8000112.9Y52 G53 S71 V83 L85Y52-Y63 WeakPolarHBondContact CA-O 3.23Å; G53-Y63 PolarHBondContact N-O 3.23Å; G53-Y63 PolarHBondContact O-N 3.43Å; Y63-S71 CarbonylContact C-O 3.55Å; Y63-S71 WeakPolarHBondContact CA-O 3.46Å; Y63-S71 VanDerWaalsContact CB-O 3.32Å; Y63-S71 WeakPolarHBondContact CB-O 3.33Å; Y63-V83 HydrophobicContact CE1-CG1 4.13Å; Y63-L85 HydrophobicContact CE2-CD2 3.83Å; Y63-L85 VanDerWaalsContact OH-CD2 3.26Å; Y63-L85 WeakPolarHBondContact OH-CD2 3.36Å
64I89.8Confident81Confident34 Ų3471.2 Ų71.217%0.17443%0.427CS..EExtended strand (participates in β ladder)trans-125.2108.6175.9-50.4-175.5000108.6T50 Y52 I61 C70 S71 W73T50-I64 HydrophobicContact CG2-CG2 3.92Å; Y52-I64 HydrophobicContact CD1-CB 4.49Å; Y52-I64 HydrophobicContact CD1-CD1 4.28Å; Y52-I64 HydrophobicContact CD1-CG1 4.01Å; Y52-I64 HydrophobicContact CD1-CG2 4.02Å; Y52-I64 HydrophobicContact CE1-CD1 4.27Å; Y52-I64 HydrophobicContact CE1-CG1 4.39Å; Y52-I64 HydrophobicContact CE1-CG2 3.89Å; I61-I64 HydrophobicContact CG2-CD1 4.21Å; I61-I64 HydrophobicContact CG2-CG1 3.69Å; I64-C70 WeakPolarHBondContact O-CA 3.42Å; I64-S71 PolarHBondContact N-O 3.2Å; I64-S71 PolarHBondContact O-N 3.32Å; I64-W73 HydrophobicContact CD1-CD2 3.97Å; I64-W73 HydrophobicContact CD1-CE3 3.61Å; I64-W73 HydrophobicContact CD1-CZ3 3.99Å; I64-W73 HydrophobicContact CG1-CE3 4.27Å
65C86.7Confident79.5Confident27 Ų2776.1 Ų76.118%0.18245%0.454CS..EExtended strand (participates in β ladder)trans-98.8134.9175.5-70.10000111.2T50 T51 C70T50-C65 CarbonylContact C-O 3.54Å; T50-C65 WeakPolarHBondContact CA-O 3.32Å; T51-C65 PolarHBondContact N-O 3.13Å; T51-C65 PolarHBondContact O-N 2.75Å; C65-C70 HydrophobicContact CB-CB 4.11Å; C65-C70 WeakPolarHBondContact CB-SG 3.32Å; C65-C70 WeakPolarHBondContact SG-CB 3.44Å; C65-C70 CovalentContact SG-SG 2.04Å; C65-C70 PolarHBondContact SG-SG 2.8Å
66S88.6Confident78.2Confident58 Ų5884 Ų8441%0.40649%0.49SS..EExtended strand (participates in β ladder)trans-141.5176.717772.90000110.5G68 G69S66-G68 PolarHBondContact O-N 3.01Å; S66-G68 PolarHBondContact OG-N 3.41Å; S66-G68 VanDerWaalsContact OG-N 3.09Å; S66-G69 PolarHBondContact N-O 3.22Å; S66-G69 PolarHBondContact O-N 3.29Å; S66-G69 PolarHBondContact OG-O 3.34Å
67A77.6Confident77.1Confident112 Ų11291.9 Ų91.993%0.92652%0.522SS*.THydrogen-bonded Turntrans-62.2-7.5170.100000114.3
68G74.9Confident76.2Confident79 Ų7985.9 Ų85.981%0.81450%0.501SS*.THydrogen-bonded Turntrans-95.31.2171.400000115S66S66-G68 PolarHBondContact O-N 3.01Å; S66-G68 PolarHBondContact OG-N 3.41Å; S66-G68 VanDerWaalsContact OG-N 3.09Å
69G80.8Confident75.4Confident41 Ų4191.6 Ų91.642%0.42352%0.522SS..EExtended strand (participates in β ladder)trans116.1-178.1-17400000113.2S66S66-G69 PolarHBondContact N-O 3.22Å; S66-G69 PolarHBondContact O-N 3.29Å; S66-G69 PolarHBondContact OG-O 3.34Å
70C84.9Confident74.9Confident92 Ų9292.9 Ų92.962%0.62253%0.526SS*.EExtended strand (participates in β ladder)trans-112.5125.9177.1-62.80000110.7I64 C65I64-C70 WeakPolarHBondContact O-CA 3.42Å; C65-C70 HydrophobicContact CB-CB 4.11Å; C65-C70 WeakPolarHBondContact CB-SG 3.32Å; C65-C70 WeakPolarHBondContact SG-CB 3.44Å; C65-C70 CovalentContact SG-SG 2.04Å; C65-C70 PolarHBondContact SG-SG 2.8Å
71S83.4Confident74.6Confident59 Ų5987.9 Ų87.941%0.41351%0.505SS..EExtended strand (participates in β ladder)trans-101.2136165.652.60000110.6Y63 I64Y63-S71 CarbonylContact C-O 3.55Å; Y63-S71 WeakPolarHBondContact CA-O 3.46Å; Y63-S71 VanDerWaalsContact CB-O 3.32Å; Y63-S71 WeakPolarHBondContact CB-O 3.33Å; I64-S71 PolarHBondContact N-O 3.2Å; I64-S71 PolarHBondContact O-N 3.32Å
72R80.9Confident74.4Confident141 Ų14187 Ų8753%0.53250%0.501SS..EExtended strand (participates in β ladder)trans-68.4145.1161.4-173.9175.2174.3167.12108D75 E76R72-D75 PolarHBondContact NH2-O 2.76Å; R72-E76 VanDerWaalsContact NH2-CA 3.33Å; R72-E76 PolarHBondContact NH2-O 3.42Å
73W73.3Confident74.5Confident146 Ų14686.1 Ų86.155%0.55350%0.499SS*.  trans-128.9116.3-176.1-164.2-82.4000109.5I61 R62 I64I61-W73 HydrophobicContact CG2-CB 4.05Å; I61-W73 HydrophobicContact CG2-CG 4.21Å; R62-W73 PolarHBondContact O-N 3.44Å; I64-W73 HydrophobicContact CD1-CD2 3.97Å; I64-W73 HydrophobicContact CD1-CE3 3.61Å; I64-W73 HydrophobicContact CD1-CZ3 3.99Å; I64-W73 HydrophobicContact CG1-CE3 4.27Å
74G64.6Low74.6Confident50 Ų5083.6 Ų83.652%0.51549%0.491SS..SBendtrans94.1164.9-171.600000113.8
75D56.8Low74.5Confident140 Ų14083.8 Ų83.875%0.74949%0.492SS*.  trans-68169.7-167.6-47.8-63.5000113.9R72 E77R72-D75 PolarHBondContact NH2-O 2.76Å; D75-E77 PolarHBondContact O-N 2.77Å
76E55.8Low74.6Confident165 Ų16584.3 Ų84.377%0.77149%0.493SS*.SBendtrans-69.4-32.5-172.6-61.9-146.4108.400113.8R72 M78R72-E76 VanDerWaalsContact NH2-CA 3.33Å; R72-E76 PolarHBondContact NH2-O 3.42Å; E76-M78 PolarHBondContact O-N 3.3Å
77E56Low74.6Confident197 Ų19783.4 Ų83.492%0.92148%0.482SS*.  trans-80.874.6179.7-62.7-168.6151.900112.5D75D75-E77 PolarHBondContact O-N 2.77Å
78M59Low75.1Confident54 Ų5481.9 Ų81.927%0.26645%0.452SS..  trans-119.1131.5164.9-75.5-170.159.200111.1K60 R62 E76K60-M78 HydrophobicContact CB-CE 4.24Å; K60-M78 HydrophobicContact CD-CE 4.15Å; R62-M78 HydrophobicContact CG-CE 3.95Å; E76-M78 PolarHBondContact O-N 3.3Å
79E61.6Low75.7Confident176 Ų17678.6 Ų78.682%0.82242%0.417SS*.  trans-60.7153.9178.5-60.3-177145.100112.1R62 E81R62-E79 PolarHBondContact NH1-O 3.47Å; R62-E79 PolarHBondContact NH2-O 2.98Å; E79-E81 PolarHBondContact O-N 3.06Å
80A64.4Low76Confident82 Ų8279.1 Ų79.168%0.67841%0.408SS*.  trans-61.2128.3170.900000110.3E119A80-E119 WeakPolarHBondContact CA-OE2 3.43Å; A80-E119 WeakPolarHBondContact CB-OE2 3.36Å
81E77.1Confident76Confident24 Ų2476.7 Ų76.711%0.11239%0.387CS..  trans-157140.3-178.7118.5-173.688.800109.4G55 A56 Y57 S58 R62 E79 E119G55-E81 VanDerWaalsContact C-OE2 3.25Å; G55-E81 VanDerWaalsContact CA-OE1 3.27Å; G55-E81 WeakPolarHBondContact CA-OE1 3.41Å; G55-E81 WeakPolarHBondContact CA-OE2 3.28Å; A56-E81 PolarHBondContact N-OE2 3.23Å; Y57-E81 HydrophobicContact CD2-CB 4.33Å; Y57-E81 HydrophobicContact CD2-CG 4.32Å; Y57-E81 PolarHBondContact N-OE2 3.38Å; S58-E81 WeakPolarHBondContact CB-OE2 3.35Å; S58-E81 PolarHBondContact N-OE2 3Å; S58-E81 VanDerWaalsContact OG-CD 3.3Å; S58-E81 PolarHBondContact OG-OE1 2.97Å; S58-E81 PolarHBondContact OG-OE2 3.01Å; S58-E81 VanDerWaalsContact OG-OE2 3.08Å; R62-E81 IonicContact CZ-OE1 2.72Å; R62-E81 IonicContact NE-OE1 2.69Å; R62-E81 PolarHBondContact NE-OE1 3.19Å; R62-E81 PolarHBondContact NH1-O 3.44Å; R62-E81 VanDerWaalsContact NH2-CG 3.3Å; R62-E81 IonicContact NH2-OE1 3.17Å; R62-E81 PolarHBondContact NH2-OE1 2.86Å; E79-E81 PolarHBondContact O-N 3.06Å; E81-E119 PolarHBondContact N-OE2 3.11Å
82D80.4Confident76.2Confident40 Ų4074.5 Ų74.521%0.21437%0.371CS..  trans-52.4142.1177-62.8-55.8000111.7A56 Y57 L116 P118 E119A56-D82 HydrophobicContact CB-CB 3.93Å; A56-D82 WeakPolarHBondContact CB-O 3.49Å; A56-D82 PolarHBondContact N-O 3.49Å; Y57-D82 HydrophobicContact CE2-CB 4.32Å; Y57-D82 PolarHBondContact OH-OD2 3.38Å; D82-L116 HydrophobicContact CB-CD1 4.19Å; D82-P118 WeakPolarHBondContact OD1-CA 3.42Å; D82-E119 PolarHBondContact OD1-N 3.25Å
83V83.6Confident76.4Confident17 Ų1768 Ų6810%0.10335%0.347CS..EExtended strand (participates in β ladder)trans-108.7119.6-173-174.30000111.4L54 Y63 L85 V117L54-V83 CarbonylContact O-C 3.55Å; L54-V83 WeakPolarHBondContact O-CA 3.23Å; Y63-V83 HydrophobicContact CE1-CG1 4.13Å; V83-L85 PolarHBondContact O-N 3.1Å; V83-V117 PolarHBondContact N-O 2.92Å; V83-V117 PolarHBondContact O-N 3.21Å
84L86.6Confident77.1Confident21 Ų2167 Ų6711%0.1134%0.343CS..EExtended strand (participates in β ladder)trans-81.9107.4166.7-76.4172.7000109.5L54 A56 L86 L114 K115 L116 V204 V209L54-L84 HydrophobicContact CB-CB 4.13Å; L54-L84 PolarHBondContact N-O 3.23Å; L54-L84 PolarHBondContact O-N 3.45Å; A56-L84 HydrophobicContact CB-CD1 4.33Å; A56-L84 HydrophobicContact CB-CG 4.14Å; L84-L86 PolarHBondContact O-N 3.03Å; L84-L114 HydrophobicContact CB-CD1 4.1Å; L84-L114 HydrophobicContact CD2-CD1 4.08Å; L84-L114 HydrophobicContact CD2-CD2 4.38Å; L84-L114 HydrophobicContact CD2-CG 4.2Å; L84-K115 CarbonylContact C-O 3.55Å; L84-L116 HydrophobicContact CD2-CB 4.04Å; L84-L116 HydrophobicContact CD2-CD1 3.66Å; L84-L116 HydrophobicContact CD2-CG 4.44Å; L84-L116 HydrophobicContact CG-CD1 4.04Å; L84-V204 HydrophobicContact CD2-CG1 4.27Å; L84-V209 HydrophobicContact CD2-CG2 4.29Å
85L87.9Confident78.1Confident39 Ų3964.6 Ų64.620%0.20432%0.319CS..EExtended strand (participates in β ladder)trans-76.4105.3167.9-71.2-179.3000109.8T51 Y63 V83 K115 V117T51-L85 HydrophobicContact CG2-CB 4.39Å; T51-L85 HydrophobicContact CG2-CD2 3.84Å; Y63-L85 HydrophobicContact CE2-CD2 3.83Å; Y63-L85 VanDerWaalsContact OH-CD2 3.26Å; Y63-L85 WeakPolarHBondContact OH-CD2 3.36Å; V83-L85 PolarHBondContact O-N 3.1Å; L85-K115 HydrophobicContact CB-CB 4.21Å; L85-K115 PolarHBondContact N-O 3.31Å; L85-K115 PolarHBondContact O-N 3.14Å; L85-V117 HydrophobicContact CD1-CG2 3.5Å; L85-V117 VanDerWaalsContact CD1-CG2 3.5Å; L85-V117 HydrophobicContact CG-CG2 3.8Å
86L88.9Confident79.6Confident37 Ų3760 Ų6019%0.19429%0.294CS..EExtended strand (participates in β ladder)trans-92.8102.6169.3-18068.3000109.1T51 Y52 L54 L84 F112 E113 L114T51-L86 WeakPolarHBondContact CA-O 3.1Å; Y52-L86 HydrophobicContact CD2-CD2 4.44Å; Y52-L86 WeakPolarHBondContact CD2-O 3.44Å; Y52-L86 PolarHBondContact N-O 2.69Å; Y52-L86 PolarHBondContact O-N 2.91Å; L54-L86 HydrophobicContact CD1-CB 3.99Å; L54-L86 HydrophobicContact CD1-CD2 4.09Å; L54-L86 HydrophobicContact CG-CB 4.5Å; L84-L86 PolarHBondContact O-N 3.03Å; L86-F112 HydrophobicContact CD1-CB 4.09Å; L86-F112 HydrophobicContact CD1-CD1 3.94Å; L86-F112 HydrophobicContact CD1-CG 4.46Å; L86-F112 HydrophobicContact CD2-CD1 4.21Å; L86-F112 HydrophobicContact CG-CD1 4.11Å; L86-E113 CarbonylContact C-O 3.58Å; L86-L114 HydrophobicContact CB-CD1 4.28Å; L86-L114 HydrophobicContact CD1-CD1 4.22Å
87Q88.6Confident80.9Confident40 Ų4056.5 Ų56.519%0.18727%0.273CS..EExtended strand (participates in β ladder)trans-93.9103.4-179.6179.6-169.8-39.500109.9L49 E113L49-Q87 HydrophobicContact CD1-CG 3.65Å; Q87-E113 HydrophobicContact CB-CB 4.25Å; Q87-E113 PolarHBondContact N-O 3.15Å; Q87-E113 PolarHBondContact NE2-OE2 3.18Å; Q87-E113 PolarHBondContact O-N 3.1Å
88R88.8Confident81.9Confident79 Ų7948.3 Ų48.330%0.29824%0.237SC..EExtended strand (participates in β ladder)trans-87.5118.7175.4178.8-177.8169.4174.5-2.7110.3T50 Y52 S111 F112T50-R88 PolarHBondContact N-O 3.31Å; T50-R88 WeakPolarHBondContact O-CA 3.45Å; T50-R88 WeakPolarHBondContact O-CB 3.09Å; T50-R88 PolarHBondContact O-N 3.05Å; Y52-R88 HydrophobicContact CE2-CB 3.97Å; R88-S111 CarbonylContact C-O 3.51Å; R88-S111 WeakPolarHBondContact CA-O 3.22Å; R88-F112 HydrophobicContact CB-CD1 3.85Å; R88-F112 HydrophobicContact CB-CE1 3.81Å; R88-F112 HydrophobicContact CG-CD1 4.07Å; R88-F112 HydrophobicContact CG-CE1 3.68Å; R88-F112 HydrophobicContact CG-CZ 4.04Å
89T86.4Confident82.6Confident11 Ų1156 Ų567%0.06726%0.264CS..EExtended strand (participates in β ladder)trans-105.3105.9171-59.80000108.9K47 L49 K91 S111K47-T89 HydrophobicContact CG-CG2 4.17Å; L49-T89 WeakPolarHBondContact CD1-OG1 3.29Å; T89-K91 HydrophobicContact CG2-CG 4.42Å; T89-S111 PolarHBondContact N-O 3.21Å; T89-S111 PolarHBondContact O-N 3.09Å
90Q88.1Confident83.4Confident52 Ų5249.1 Ų49.124%0.24324%0.235CC..EExtended strand (participates in β ladder)trans-91.6107.4175.6-177.4167.6-39.700110.9K47 S48 V109K47-Q90 WeakPolarHBondContact CA-O 3.48Å; S48-Q90 PolarHBondContact N-O 2.92Å; S48-Q90 PolarHBondContact O-N 3.18Å; Q90-V109 CarbonylContact C-O 3.56Å; Q90-V109 VanDerWaalsContact CA-O 3.3Å; Q90-V109 WeakPolarHBondContact CA-O 3.26Å
91K85.1Confident83.8Confident40 Ų4046.7 Ų46.717%0.17422%0.218CC..EExtended strand (participates in β ladder)trans-87.3134.6170.7-62.7-167.1-172.7-166.20109.1V27 E28 G46 T89 S108 V109V27-K91 HydrophobicContact CB-CB 4.19Å; V27-K91 HydrophobicContact CB-CD 4.23Å; V27-K91 HydrophobicContact CG1-CB 3.96Å; V27-K91 HydrophobicContact CG1-CG 4.46Å; V27-K91 HydrophobicContact CG2-CB 4.13Å; E28-K91 VanDerWaalsContact CD-NZ 3.31Å; E28-K91 WeakPolarHBondContact OE1-CE 3.37Å; E28-K91 IonicContact OE1-NZ 2.75Å; E28-K91 PolarHBondContact OE1-NZ 3.08Å; E28-K91 IonicContact OE2-NZ 3.9Å; E28-K91 PolarHBondContact OE2-NZ 3.22Å; G46-K91 CarbonylContact O-C 3.58Å; T89-K91 HydrophobicContact CG2-CG 4.42Å; K91-S108 CarbonylContact O-C 3.59Å; K91-S108 VanDerWaalsContact O-CA 3.31Å; K91-S108 WeakPolarHBondContact O-CA 3.07Å; K91-V109 PolarHBondContact N-O 2.88Å; K91-V109 PolarHBondContact O-N 3.3Å
92T86.4Confident83.7Confident14 Ų1451.2 Ų51.29%0.08624%0.24CC..EExtended strand (participates in β ladder)trans-135.2135.4-177.3-53.30000110.1G45 G46 R94 N106 F107 S108G45-T92 CarbonylContact C-O 3.56Å; G45-T92 WeakPolarHBondContact CA-O 3.49Å; G46-T92 PolarHBondContact N-O 2.91Å; G46-T92 PolarHBondContact O-N 3.37Å; T92-R94 HydrophobicContact CG2-CG 4Å; T92-N106 HydrophobicContact CG2-CB 4.47Å; T92-F107 CarbonylContact C-O 3.43Å; T92-F107 WeakPolarHBondContact CA-O 3.24Å; T92-F107 WeakPolarHBondContact CG2-O 3.35Å; T92-S108 WeakPolarHBondContact OG1-CB 3.5Å
93V85.4Confident83.8Confident3 Ų353 Ų532%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-110.3131.7165.4-178.60000108.1L10 V27 L30 L43 W105 N106 F107L10-V93 HydrophobicContact CD1-CG1 4.24Å; L10-V93 HydrophobicContact CD1-CG2 4.16Å; V27-V93 HydrophobicContact CG2-CG2 3.63Å; L30-V93 HydrophobicContact CD1-CG1 3.9Å; L30-V93 HydrophobicContact CD1-CG2 4.01Å; L43-V93 HydrophobicContact CB-CG1 4.35Å; L43-V93 HydrophobicContact CD1-CG1 4.28Å; L43-V93 HydrophobicContact CD2-CG1 4.41Å; V93-W105 HydrophobicContact CG1-CH2 4.41Å; V93-W105 HydrophobicContact CG1-CZ3 4.16Å; V93-N106 CarbonylContact O-C 3.52Å; V93-N106 VanDerWaalsContact O-CA 3.31Å; V93-N106 WeakPolarHBondContact O-CA 3.45Å; V93-F107 PolarHBondContact N-O 2.74Å; V93-F107 PolarHBondContact O-N 3.47Å
94R87.7Confident83.7Confident126 Ų12656 Ų5648%0.47526%0.259SS..EExtended strand (participates in β ladder)trans-117.7124.7174.4-58.2-171.7179-1671.5109.6L43 V44 T92 I96 E103 N106L43-R94 WeakPolarHBondContact CA-O 3.39Å; V44-R94 PolarHBondContact N-O 3.49Å; V44-R94 PolarHBondContact O-N 3.28Å; T92-R94 HydrophobicContact CG2-CG 4Å; R94-I96 HydrophobicContact CB-CD1 4.26Å; R94-I96 HydrophobicContact CB-CG1 4.09Å; R94-E103 HydrophobicContact CB-CG 4.46Å; R94-E103 VanDerWaalsContact CD-OE2 3.32Å; R94-E103 WeakPolarHBondContact CD-OE2 2.94Å; R94-E103 IonicContact NE-OE2 2.74Å; R94-N106 HydrophobicContact CG-CB 3.95Å
95A86.6Confident83.4Confident0 Ų060.1 Ų60.10%027%0.273CS..EExtended strand (participates in β ladder)trans-90.3116.6167.500000109.4T41 L43 E103 K104 W105T41-A95 HydrophobicContact CG2-CB 3.88Å; L43-A95 HydrophobicContact CD2-CB 3.47Å; L43-A95 VanDerWaalsContact CD2-CB 3.47Å; A95-E103 CarbonylContact O-C 3.57Å; A95-E103 WeakPolarHBondContact O-CA 3.24Å; A95-K104 HydrophobicContact CB-CB 4.45Å; A95-K104 PolarHBondContact O-N 3.09Å; A95-W105 HydrophobicContact CB-CD2 3.47Å; A95-W105 VanDerWaalsContact CB-CD2 3.47Å; A95-W105 HydrophobicContact CB-CE3 3.98Å; A95-W105 HydrophobicContact CB-CG 3.9Å; A95-W105 HydrophobicContact CB-CH2 4.08Å; A95-W105 HydrophobicContact CB-CZ2 3.6Å; A95-W105 HydrophobicContact CB-CZ3 4.25Å; A95-W105 PolarHBondContact N-O 3.26Å
96I87Confident83.3Confident43 Ų4362.1 Ų62.122%0.22128%0.284CS..EExtended strand (participates in β ladder)trans-117.7136.1-172.8-54.1179.8000108.4V42 V44 R94 P98 M102V42-I96 PolarHBondContact N-O 3.12Å; V42-I96 PolarHBondContact O-N 3.13Å; V44-I96 HydrophobicContact CB-CD1 4.27Å; V44-I96 HydrophobicContact CG2-CD1 3.96Å; R94-I96 HydrophobicContact CB-CD1 4.26Å; R94-I96 HydrophobicContact CB-CG1 4.09Å; I96-P98 WeakPolarHBondContact O-CD 3.25Å; I96-M102 WeakPolarHBondContact CA-O 3.31Å
97R83.5Confident82.8Confident91 Ų9163.1 Ų63.134%0.34329%0.287SS..  trans-72.8116.9167.8169.4169.3-75.7134.9-1.5108.5D40 R99 S100 G101 M102D40-R97 VanDerWaalsContact CG-NE 3.33Å; D40-R97 WeakPolarHBondContact OD1-CD 3.42Å; D40-R97 WeakPolarHBondContact OD1-CG 3.36Å; D40-R97 IonicContact OD1-CZ 3.92Å; D40-R97 IonicContact OD1-NE 3.47Å; D40-R97 PolarHBondContact OD1-NE 3.24Å; D40-R97 IonicContact OD1-NH2 2.69Å; D40-R97 IonicContact OD2-CZ 3.81Å; D40-R97 VanDerWaalsContact OD2-CZ 3.32Å; D40-R97 IonicContact OD2-NE 3.73Å; D40-R97 PolarHBondContact OD2-NE 2.63Å; D40-R97 IonicContact OD2-NH2 3.66Å; D40-R97 PolarHBondContact OD2-NH2 3.2Å; R97-R99 PolarHBondContact O-N 3.37Å; R97-S100 WeakPolarHBondContact CD-OG 3.45Å; R97-S100 WeakPolarHBondContact CG-OG 3.35Å; R97-S100 PolarHBondContact O-N 3.15Å; R97-G101 WeakPolarHBondContact O-CA 3.49Å; R97-G101 PolarHBondContact O-N 3.49Å; R97-M102 PolarHBondContact N-O 3.16Å
98P76.8Confident82.6Confident26 Ų2663.7 Ų63.717%0.16930%0.295CS..THydrogen-bonded Turntrans-58-47.3-174.320.2-29.9000111.9D40 V42 I96 S100D40-P98 VanDerWaalsContact C-CD 3.43Å; D40-P98 WeakPolarHBondContact O-CD 3.49Å; V42-P98 HydrophobicContact CG2-CB 3.99Å; V42-P98 HydrophobicContact CG2-CG 4.18Å; I96-P98 WeakPolarHBondContact O-CD 3.25Å; P98-S100 VanDerWaalsContact C-N 3.26Å; P98-S100 PolarHBondContact O-N 3.13Å; P98-S100 VanDerWaalsContact O-N 3.14Å
99R75Confident82.1Confident216 Ų21660.4 Ų60.482%0.81528%0.284SS*.THydrogen-bonded Turntrans-66-13.9-177.9-73.4-175173.3169.2-0.7116.5R97R97-R99 PolarHBondContact O-N 3.37Å
100S76.7Confident81.8Confident31 Ų3161.4 Ų61.422%0.21730%0.296CS..THydrogen-bonded Turntrans-130.1-7.1-178.9710000114.5R97 P98 M102 R510R97-S100 WeakPolarHBondContact CD-OG 3.45Å; R97-S100 WeakPolarHBondContact CG-OG 3.35Å; R97-S100 PolarHBondContact O-N 3.15Å; P98-S100 VanDerWaalsContact C-N 3.26Å; P98-S100 PolarHBondContact O-N 3.13Å; P98-S100 VanDerWaalsContact O-N 3.14Å; S100-M102 PolarHBondContact O-N 2.99Å; S100-M102 WeakPolarHBondContact OG-CB 3.35Å; S100-M102 VanDerWaalsContact OG-CG 3.26Å; S100-M102 WeakPolarHBondContact OG-CG 3.45Å; S100-M102 PolarHBondContact OG-N 2.74Å; S100-R510 PolarHBondContact O-NH1 3.12Å; S100-R510 PolarHBondContact O-NH2 2.64Å; S100-R510 VanDerWaalsContact O-NH2 3.07Å
101G73.4Confident81.4Confident31 Ų3161.4 Ų61.432%0.3230%0.302SS..  trans59.810.3-17100000114R97R97-G101 WeakPolarHBondContact O-CA 3.49Å; R97-G101 PolarHBondContact O-N 3.49Å
102M75.1Confident81.3Confident118 Ų11863 Ų6358%0.58131%0.309SS*.  trans-77.7130.8179.8-67.1175.378.500109.8I96 R97 S100 K104I96-M102 WeakPolarHBondContact CA-O 3.31Å; R97-M102 PolarHBondContact N-O 3.16Å; S100-M102 PolarHBondContact O-N 2.99Å; S100-M102 WeakPolarHBondContact OG-CB 3.35Å; S100-M102 VanDerWaalsContact OG-CG 3.26Å; S100-M102 WeakPolarHBondContact OG-CG 3.45Å; S100-M102 PolarHBondContact OG-N 2.74Å; M102-K104 PolarHBondContact O-N 2.76Å
103E82.4Confident81.1Confident78 Ų7865.9 Ų65.936%0.36432%0.322SS..EExtended strand (participates in β ladder)trans-66.7124.4169.3-157.9-174.789.500109.8R94 A95 N106R94-E103 HydrophobicContact CB-CG 4.46Å; R94-E103 VanDerWaalsContact CD-OE2 3.32Å; R94-E103 WeakPolarHBondContact CD-OE2 2.94Å; R94-E103 IonicContact NE-OE2 2.74Å; A95-E103 CarbonylContact O-C 3.57Å; A95-E103 WeakPolarHBondContact O-CA 3.24Å; E103-N106 HydrophobicContact CG-CB 4.47Å; E103-N106 WeakPolarHBondContact OE1-CB 3.44Å; E103-N106 PolarHBondContact OE1-N 3.43Å; E103-N106 PolarHBondContact OE1-ND2 2.81Å; E103-N106 PolarHBondContact OE2-ND2 3.36Å
104K81.1Confident81Confident79 Ų7967.2 Ų67.234%0.34333%0.329SS..EExtended strand (participates in β ladder)trans-82.8-36.1171.5-71-176172.8-178.90111.5D40 T41 A95 M102D40-K104 VanDerWaalsContact O-CE 3.22Å; D40-K104 WeakPolarHBondContact O-CE 2.97Å; D40-K104 PolarHBondContact O-NZ 3.05Å; D40-K104 VanDerWaalsContact OD2-CE 3.26Å; D40-K104 WeakPolarHBondContact OD2-CE 3.36Å; D40-K104 IonicContact OD2-NZ 2.65Å; D40-K104 PolarHBondContact OD2-NZ 3Å; T41-K104 HydrophobicContact CG2-CD 4.13Å; T41-K104 PolarHBondContact OG1-NZ 2.84Å; A95-K104 HydrophobicContact CB-CB 4.45Å; A95-K104 PolarHBondContact O-N 3.09Å; M102-K104 PolarHBondContact O-N 2.76Å
105W81.4Confident80.9Confident109 Ų10965.4 Ų65.441%0.41332%0.324SS..EExtended strand (participates in β ladder)trans-165.2147.8171.649.6-94.9000108.5L43 V93 A95 F107L43-W105 HydrophobicContact CD2-CH2 3.91Å; L43-W105 HydrophobicContact CD2-CZ2 4Å; V93-W105 HydrophobicContact CG1-CH2 4.41Å; V93-W105 HydrophobicContact CG1-CZ3 4.16Å; A95-W105 HydrophobicContact CB-CD2 3.47Å; A95-W105 VanDerWaalsContact CB-CD2 3.47Å; A95-W105 HydrophobicContact CB-CE3 3.98Å; A95-W105 HydrophobicContact CB-CG 3.9Å; A95-W105 HydrophobicContact CB-CH2 4.08Å; A95-W105 HydrophobicContact CB-CZ2 3.6Å; A95-W105 HydrophobicContact CB-CZ3 4.25Å; A95-W105 PolarHBondContact N-O 3.26Å; W105-F107 HydrophobicContact CZ3-CB 4.46Å
106N84.2Confident80.6Confident81 Ų8167.3 Ų67.343%0.43333%0.334SS..EExtended strand (participates in β ladder)trans-111.2163.7155.768.563000110.5T92 V93 R94 E103T92-N106 HydrophobicContact CG2-CB 4.47Å; V93-N106 CarbonylContact O-C 3.52Å; V93-N106 VanDerWaalsContact O-CA 3.31Å; V93-N106 WeakPolarHBondContact O-CA 3.45Å; R94-N106 HydrophobicContact CG-CB 3.95Å; E103-N106 HydrophobicContact CG-CB 4.47Å; E103-N106 WeakPolarHBondContact OE1-CB 3.44Å; E103-N106 PolarHBondContact OE1-N 3.43Å; E103-N106 PolarHBondContact OE1-ND2 2.81Å; E103-N106 PolarHBondContact OE2-ND2 3.36Å
107F80.1Confident80.3Confident57 Ų5768.5 Ų68.525%0.2534%0.343CS..EExtended strand (participates in β ladder)trans-139.3136.4166.9174.6-105.1000108.3P4 L10 T92 V93 W105 V109P4-F107 HydrophobicContact CB-CD1 3.69Å; P4-F107 HydrophobicContact CB-CD2 4.2Å; P4-F107 HydrophobicContact CB-CE1 3.12Å; P4-F107 HydrophobicContact CB-CE2 3.73Å; P4-F107 HydrophobicContact CB-CG 4.2Å; P4-F107 HydrophobicContact CB-CZ 3.16Å; P4-F107 HydrophobicContact CG-CD2 4.24Å; P4-F107 HydrophobicContact CG-CE1 4.08Å; P4-F107 HydrophobicContact CG-CE2 3.73Å; P4-F107 HydrophobicContact CG-CZ 3.66Å; L10-F107 HydrophobicContact CD2-CD1 4.32Å; T92-F107 CarbonylContact C-O 3.43Å; T92-F107 WeakPolarHBondContact CA-O 3.24Å; T92-F107 WeakPolarHBondContact CG2-O 3.35Å; V93-F107 PolarHBondContact N-O 2.74Å; V93-F107 PolarHBondContact O-N 3.47Å; W105-F107 HydrophobicContact CZ3-CB 4.46Å; F107-V109 HydrophobicContact CD1-CG2 4.24Å; F107-V109 HydrophobicContact CE1-CG2 3.18Å; F107-V109 HydrophobicContact CZ-CG2 3.44Å; F107-V109 VanDerWaalsContact CZ-CG2 3.44Å
108S83.1Confident79.8Confident52 Ų5267.9 Ų67.936%0.36435%0.351SS..EExtended strand (participates in β ladder)trans-137.5145.3179.571.30000112.9K91 T92K91-S108 CarbonylContact O-C 3.59Å; K91-S108 VanDerWaalsContact O-CA 3.31Å; K91-S108 WeakPolarHBondContact O-CA 3.07Å; T92-S108 WeakPolarHBondContact OG1-CB 3.5Å
109V79.8Confident79.3Confident11 Ų1171.7 Ų71.77%0.06737%0.366CS..EExtended strand (participates in β ladder)trans-125.9124.3-178.1-175.10000108.2L6 Q90 K91 F107L6-V109 VanDerWaalsContact O-CG1 3.22Å; L6-V109 WeakPolarHBondContact O-CG1 3.35Å; Q90-V109 CarbonylContact C-O 3.56Å; Q90-V109 VanDerWaalsContact CA-O 3.3Å; Q90-V109 WeakPolarHBondContact CA-O 3.26Å; K91-V109 PolarHBondContact N-O 2.88Å; K91-V109 PolarHBondContact O-N 3.3Å; F107-V109 HydrophobicContact CD1-CG2 4.24Å; F107-V109 HydrophobicContact CE1-CG2 3.18Å; F107-V109 HydrophobicContact CZ-CG2 3.44Å; F107-V109 VanDerWaalsContact CZ-CG2 3.44Å
110G78.9Confident77.9Confident32 Ų3270.2 Ų70.233%0.3337%0.366SS..EExtended strand (participates in β ladder)trans-89.4110164.900000109.9
111S80.6Confident76.2Confident51 Ų5177.6 Ų77.636%0.35740%0.397SS..EExtended strand (participates in β ladder)trans-87150.3158.6-176.30000109.2R88 T89R88-S111 CarbonylContact C-O 3.51Å; R88-S111 WeakPolarHBondContact CA-O 3.22Å; T89-S111 PolarHBondContact N-O 3.21Å; T89-S111 PolarHBondContact O-N 3.09Å
112F82.6Confident74.8Confident74 Ų7482.2 Ų82.233%0.32543%0.425SS..EExtended strand (participates in β ladder)trans-130134.7-179.6-64.9-94.8000109.3L86 R88 W202L86-F112 HydrophobicContact CD1-CB 4.09Å; L86-F112 HydrophobicContact CD1-CD1 3.94Å; L86-F112 HydrophobicContact CD1-CG 4.46Å; L86-F112 HydrophobicContact CD2-CD1 4.21Å; L86-F112 HydrophobicContact CG-CD1 4.11Å; R88-F112 HydrophobicContact CB-CD1 3.85Å; R88-F112 HydrophobicContact CB-CE1 3.81Å; R88-F112 HydrophobicContact CG-CD1 4.07Å; R88-F112 HydrophobicContact CG-CE1 3.68Å; R88-F112 HydrophobicContact CG-CZ 4.04Å; F112-W202 HydrophobicContact CB-CH2 4.05Å; F112-W202 VanDerWaalsContact O-CH2 3.28Å; F112-W202 WeakPolarHBondContact O-CH2 3.3Å; F112-W202 WeakPolarHBondContact O-CZ2 3.31Å
113E82.8Confident73.1Confident75 Ų7580.1 Ų80.135%0.3543%0.433SS..EExtended strand (participates in β ladder)trans-115.8140.8168.5-69168.8-138.900108.7L86 Q87 K115L86-E113 CarbonylContact C-O 3.58Å; Q87-E113 HydrophobicContact CB-CB 4.25Å; Q87-E113 PolarHBondContact N-O 3.15Å; Q87-E113 PolarHBondContact NE2-OE2 3.18Å; Q87-E113 PolarHBondContact O-N 3.1Å; E113-K115 WeakPolarHBondContact OE2-CE 3.36Å; E113-K115 IonicContact OE2-NZ 2.98Å; E113-K115 PolarHBondContact OE2-NZ 3.15Å
114L83.2Confident71Confident31 Ų3183.8 Ų83.816%0.16245%0.453CS..EExtended strand (participates in β ladder)trans-118.6124.4178.6-172.666.1000110.5L84 L86 W202 V204 V209L84-L114 HydrophobicContact CB-CD1 4.1Å; L84-L114 HydrophobicContact CD2-CD1 4.08Å; L84-L114 HydrophobicContact CD2-CD2 4.38Å; L84-L114 HydrophobicContact CD2-CG 4.2Å; L86-L114 HydrophobicContact CB-CD1 4.28Å; L86-L114 HydrophobicContact CD1-CD1 4.22Å; L114-W202 HydrophobicContact CB-CD2 4.21Å; L114-W202 HydrophobicContact CB-CG 4.41Å; L114-W202 HydrophobicContact CD2-CB 4.26Å; L114-W202 HydrophobicContact CD2-CG 4.41Å; L114-V204 HydrophobicContact CD2-CG2 3.9Å; L114-V209 HydrophobicContact CB-CG1 4.19Å; L114-V209 HydrophobicContact CD2-CG1 3.97Å; L114-V209 HydrophobicContact CG-CG1 4.14Å; L114-V209 HydrophobicContact CG-CG2 4.39Å
115K83.7Confident68.6Low88 Ų8887.5 Ų87.538%0.38348%0.477SS..EExtended strand (participates in β ladder)trans-128130.8180-71.9154.6-1741630108.7L84 L85 E113L84-K115 CarbonylContact C-O 3.55Å; L85-K115 HydrophobicContact CB-CB 4.21Å; L85-K115 PolarHBondContact N-O 3.31Å; L85-K115 PolarHBondContact O-N 3.14Å; E113-K115 WeakPolarHBondContact OE2-CE 3.36Å; E113-K115 IonicContact OE2-NZ 2.98Å; E113-K115 PolarHBondContact OE2-NZ 3.15Å
116L82.3Confident66.3Low40 Ų4092 Ų9221%0.20950%0.5CS..EExtended strand (participates in β ladder)trans-91.9127.8174.1-179.467.6000109.7A56 D82 L84 V209A56-L116 HydrophobicContact CB-CD1 4.3Å; D82-L116 HydrophobicContact CB-CD1 4.19Å; L84-L116 HydrophobicContact CD2-CB 4.04Å; L84-L116 HydrophobicContact CD2-CD1 3.66Å; L84-L116 HydrophobicContact CD2-CG 4.44Å; L84-L116 HydrophobicContact CG-CD1 4.04Å; L116-V209 HydrophobicContact CB-CG2 3.82Å
117V79.3Confident63.9Low68 Ų6896.1 Ų96.141%0.41252%0.521SS..EExtended strand (participates in β ladder)trans-109.7103171.4-179.20000107.6V83 L85V83-V117 PolarHBondContact N-O 2.92Å; V83-V117 PolarHBondContact O-N 3.21Å; L85-V117 HydrophobicContact CD1-CG2 3.5Å; L85-V117 VanDerWaalsContact CD1-CG2 3.5Å; L85-V117 HydrophobicContact CG-CG2 3.8Å
118P73.2Confident61.6Low77 Ų77102.7 Ų102.750%0.555%0.552SS.*  trans-72.4136.6178.929.4-33.8000110.9D82 K120D82-P118 WeakPolarHBondContact OD1-CA 3.42Å; P118-K120 PolarHBondContact O-N 3.33Å
119E65.7Low59.1Low106 Ų106103.8 Ų103.850%0.49557%0.572SS.*  trans-80.680.3-175.8-167.7170.5-173.300110.9A80 E81 D82A80-E119 WeakPolarHBondContact CA-OE2 3.43Å; A80-E119 WeakPolarHBondContact CB-OE2 3.36Å; E81-E119 PolarHBondContact N-OE2 3.11Å; D82-E119 PolarHBondContact OD1-N 3.25Å
120K47.4Very low56.5Low185 Ų185111.1 Ų111.180%0.80461%0.611SS**  trans-117.3109.3175.9-78.7-172.5174.7177.50112.9P118P118-K120 PolarHBondContact O-N 3.33Å
121Q39.5Very low54.2Low186 Ų186118.3 Ų118.387%0.86964%0.638SS**  trans69.593.7168.3-64.6-178.2-31.500115.7G123Q121-G123 PolarHBondContact O-N 3.02Å
122S43.4Very low51.8Low129 Ų129120.2 Ų120.290%0.90266%0.657SS**  trans-46.5119.6153.752.80000111.4
123G40.1Very low49.1Very low73 Ų73124.4 Ų124.475%0.75368%0.683SS**  trans160.820.2177.300000117.9Q121Q121-G123 PolarHBondContact O-N 3.02Å
124I38.2Very low46.5Very low155 Ų155127.7 Ų127.780%0.79570%0.703SS**  trans-126.1114176.6-56.2-179.7000109.4F126I124-F126 PolarHBondContact O-N 3.46Å
125N31.6Very low43.8Very low158 Ų158133.1 Ų133.185%0.84573%0.732SS**  trans-74119173.2-64.3-18.4000109L127N125-L127 VanDerWaalsContact C-N 3.32Å; N125-L127 PolarHBondContact O-N 3.01Å; N125-L127 VanDerWaalsContact O-N 3.14Å
126F33Very low41.2Very low203 Ų203132.6 Ų132.689%0.8974%0.739SS**SBendtrans-89.860-177.9-164.2-96.9000112.5I124I124-F126 PolarHBondContact O-N 3.46Å
127L34.2Very low38.5Very low167 Ų167142.4 Ų142.487%0.87477%0.773SS**  trans-159.678163.4-94.6-169.1000110.7N125N125-L127 VanDerWaalsContact C-N 3.32Å; N125-L127 PolarHBondContact O-N 3.01Å; N125-L127 VanDerWaalsContact O-N 3.14Å
128E30.5Very low35.9Very low196 Ų196147.2 Ų147.292%0.91679%0.789SS**  trans-156.1141.2143.1-157.1147.1-135.700108.5
129G30.9Very low33.8Very low75 Ų75153.1 Ų153.177%0.77381%0.81SS**  trans-123.5121.1178.100000109.3
130D25.6Very low31.8Very low164 Ų164152.8 Ų152.888%0.87782%0.819SS**  trans-142.4149.9174.4-150-9.8000110.9
131M30.8Very low30.8Very low184 Ų184153.1 Ų153.191%0.90682%0.823SS**  trans-123.1103.6-165.8-74.1-165.171.600114
132A29.8Very low30.2Very low91 Ų91154.9 Ų154.975%0.75282%0.822SS**  trans-171.6144148.500000108.4
133N26Very low29.5Very low162 Ų162154.9 Ų154.987%0.86682%0.816SS**  cis-151.3173.525.1-131.9-18000112.6
134D29Very low28.8Very low144 Ų144158.3 Ų158.377%0.7782%0.816SS**  trans-64.8136178.2-168.612.5000113.3
135D25.1Very low28.6Very low144 Ų144158 Ų15877%0.7782%0.815SS**  trans-162141.3134.3-133.9-27000114.4W137D135-W137 PolarHBondContact O-N 3.21Å
136S29.3Very low28.3Very low77 Ų77157.9 Ų157.954%0.53881%0.814SS.*  trans-62.9123.8-170.8134.60000114.7
137W26.4Very low28Very low246 Ų246155.7 Ų155.793%0.93281%0.806SS**  trans-117.9106.6157.9-79.382.8000112.3D135 E139D135-W137 PolarHBondContact O-N 3.21Å; W137-E139 PolarHBondContact O-N 2.65Å
138K25Very low28.1Very low170 Ų170154 Ų15474%0.73981%0.805SS**  trans-71.8124.7177.6-71.3176178.5172.60111.2S140K138-S140 PolarHBondContact O-N 3.35Å; K138-S140 VanDerWaalsContact O-N 3.13Å; K138-S140 PolarHBondContact O-OG 3.39Å
139E27.8Very low27.9Very low201 Ų201153.8 Ų153.894%0.93980%0.801SS**  trans-47116.9164.6-173.2168.8-138.400110.3W137W137-E139 PolarHBondContact O-N 2.65Å
140S24.2Very low28.1Very low98 Ų98158.9 Ų158.969%0.68581%0.805SS**  trans-130.874.7-167.8-68.20000110.8K138 R142K138-S140 PolarHBondContact O-N 3.35Å; K138-S140 VanDerWaalsContact O-N 3.13Å; K138-S140 PolarHBondContact O-OG 3.39Å; S140-R142 PolarHBondContact O-N 2.78Å; S140-R142 VanDerWaalsContact O-N 3.08Å
141Q27.4Very low28.3Very low192 Ų192163 Ų16390%0.89781%0.808SS**  trans-49.2108171.7-179.4-170.632.200111.8
142R25.7Very low28.2Very low223 Ų223161.9 Ų161.984%0.84280%0.801SS**  trans-141.4114.9163.8-72.1-163179.3-168.70.8112.5S140S140-R142 PolarHBondContact O-N 2.78Å; S140-R142 VanDerWaalsContact O-N 3.08Å
143V28.7Very low28.2Very low129 Ų129166.6 Ų166.678%0.78280%0.8SS**  trans-62.6134.4156.7176.30000108.3
144I25Very low28.4Very low146 Ų146165.9 Ų165.975%0.74979%0.794SS**  trans-133.1118.7162.1-61.2-177.3000108
145I33.9Very low28.4Very low149 Ų149165.1 Ų165.176%0.76479%0.789SS**  trans-93.8136.7159.6-61.9161.1000105.4
146D26.9Very low28.6Very low155 Ų155163.6 Ų163.683%0.82978%0.781SS**  trans-164156.1150.1-117-27.6000112.8
147E26.6Very low28.6Very low157 Ų157169.4 Ų169.473%0.73480%0.797SS**  trans-79.8155.1-179.5-63.3-179.1136.800113.1
148P35.2Very low28.8Very low130 Ų130166.4 Ų166.484%0.84479%0.793SS**  trans-71.7143.1171.931.1-35000112.1
149K27.4Very low29Very low192 Ų192166.1 Ų166.184%0.83580%0.8SS**  trans-128130.1164.4-84.1172.9179.5140.70110.7
150E34Very low29.3Very low182 Ų182165.5 Ų165.585%0.8580%0.797SS**  trans-69155.6-171.9-53.3164.1134.100113.5
151R30Very low29.6Very low252 Ų252168.5 Ų168.595%0.95181%0.805SS**  trans-166.7131.7138.9-102.3147.2-165-156.42.1111.2
152E27.8Very low30.1Very low160 Ų160167.3 Ų167.375%0.74880%0.8SS**  trans-98.4-168-174.9-56.9179.9106.300113.4
153Y31.2Very low30.9Very low190 Ų190164.8 Ų164.875%0.74580%0.797SS**  trans74.6133.1173-59.3-99.9000115.1
154M29.9Very low31.7Very low147 Ų147163.9 Ų163.972%0.72479%0.787SS**  cis-170.7163.2-7.7-95.5-52.4177.400106.3
155D29.9Very low33.3Very low127 Ų127161 Ų16168%0.67977%0.774SS**  cis-171166.8-19.6-156.518.1000105.2
156N27.7Very low34.9Very low113 Ų113157 Ų15760%0.60475%0.753SS**  cis-1541462.6-170.5-97.4000109.9
157K29.7Very low37.2Very low198 Ų198152.3 Ų152.386%0.86173%0.73SS**  trans-176148.2138.6-108.4164.2-175.1175.50114.1
158Q31.8Very low39.6Very low183 Ų183147.1 Ų147.186%0.85571%0.707SS**  trans-64.1131.1-178.4-62.3157.3-6800112.6
159N28.4Very low41.5Very low165 Ų165144.5 Ų144.588%0.88268%0.682SS**  trans-146.5145.4136.8-124.1-10.6000109.5N161N159-N161 PolarHBondContact O-N 2.75Å
160Q32.8Very low43.8Very low188 Ų188136.5 Ų136.588%0.87965%0.649SS**  trans-78.9108.7-179.9-71.9175.3-28.200109.9
161N31.5Very low45.8Very low161 Ų161128.7 Ų128.786%0.86162%0.615SS**  trans-146.5112.4153.7-95.6-33000107.9N159 H163N159-N161 PolarHBondContact O-N 2.75Å; N161-H163 PolarHBondContact O-N 2.87Å
162Q38.1Very low47.9Very low167 Ų167116.7 Ų116.778%0.7857%0.57SS**  trans-69.5112.7166.1-70.6173.1-24.300106.5L164Q162-L164 HydrophobicContact CB-CD2 4.28Å; Q162-L164 HydrophobicContact CB-CG 4.13Å; Q162-L164 PolarHBondContact O-N 3.36Å
163H41.7Very low50Low169 Ų169110.2 Ų110.278%0.78254%0.541SS*.  trans-71.784.8167-156.2-87.5000107.1N161 D165N161-H163 PolarHBondContact O-N 2.87Å; H163-D165 IonicContact CE1-OD1 3.38Å; H163-D165 PolarHBondContact CE1-OD1 2.74Å; H163-D165 IonicContact CG-OD1 3.94Å; H163-D165 IonicContact ND1-OD1 2.73Å; H163-D165 PolarHBondContact ND1-OD1 2.7Å; H163-D165 PolarHBondContact O-N 3.36Å
164L46.2Very low51.8Low110 Ų110103.6 Ų103.658%0.57652%0.519SS*.  trans-71.996.7174.8-67.4173.3000106.8Q162 L166Q162-L164 HydrophobicContact CB-CD2 4.28Å; Q162-L164 HydrophobicContact CB-CG 4.13Å; Q162-L164 PolarHBondContact O-N 3.36Å; L164-L166 HydrophobicContact CB-CD1 3.68Å; L164-L166 HydrophobicContact CB-CG 3.87Å; L164-L166 HydrophobicContact CD1-CD1 4.43Å; L164-L166 VanDerWaalsContact O-CG 3.31Å; L164-L166 WeakPolarHBondContact O-CG 3.32Å; L164-L166 PolarHBondContact O-N 2.93Å
165D58.9Low54.2Low87 Ų8798.6 Ų98.647%0.46549%0.492SS..  trans-63.8101.3171.6-74.4-6.2000108.4H163 T182H163-D165 IonicContact CE1-OD1 3.38Å; H163-D165 PolarHBondContact CE1-OD1 2.74Å; H163-D165 IonicContact CG-OD1 3.94Å; H163-D165 IonicContact ND1-OD1 2.73Å; H163-D165 PolarHBondContact ND1-OD1 2.7Å; H163-D165 PolarHBondContact O-N 3.36Å; D165-T182 HydrophobicContact CB-CG2 3.85Å; D165-T182 VanDerWaalsContact CB-OG1 3.24Å; D165-T182 WeakPolarHBondContact CB-OG1 3.42Å; D165-T182 PolarHBondContact O-N 3.48Å; D165-T182 PolarHBondContact O-OG1 3.1Å
166L67.1Low56.6Low63 Ų6394.4 Ų94.433%0.3347%0.468SS..EExtended strand (participates in β ladder)trans-122.7121.4-170.6-72.8165.4000109.7L164 A179 F180 V189L164-L166 HydrophobicContact CB-CD1 3.68Å; L164-L166 HydrophobicContact CB-CG 3.87Å; L164-L166 HydrophobicContact CD1-CD1 4.43Å; L164-L166 VanDerWaalsContact O-CG 3.31Å; L164-L166 WeakPolarHBondContact O-CG 3.32Å; L164-L166 PolarHBondContact O-N 2.93Å; L166-A179 HydrophobicContact CD2-CB 4.35Å; L166-F180 CarbonylContact C-O 3.59Å; L166-F180 WeakPolarHBondContact CA-O 3.21Å; L166-V189 HydrophobicContact CD2-CB 4.17Å; L166-V189 HydrophobicContact CD2-CG1 4.33Å; L166-V189 HydrophobicContact CD2-CG2 3.73Å
167V74.9Confident59.2Low58 Ų5889.9 Ų89.935%0.35245%0.445SS..EExtended strand (participates in β ladder)trans-87.8111.3172.3-175.40000108.3K169 F180 T182V167-K169 HydrophobicContact CG1-CG 4.06Å; V167-F180 HydrophobicContact CB-CB 4.48Å; V167-F180 PolarHBondContact N-O 2.75Å; V167-F180 PolarHBondContact O-N 3.38Å; V167-T182 HydrophobicContact CG2-CG2 3.81Å
168I77.4Confident61.7Low47 Ų4782.5 Ų82.524%0.24141%0.413CS..EExtended strand (participates in β ladder)trans-86.5120.9174.3-57.4179.4000108.8V177 M178 L203 I212I168-V177 HydrophobicContact CG2-CG1 3.55Å; I168-M178 CarbonylContact C-O 3.57Å; I168-M178 WeakPolarHBondContact CA-O 3.46Å; I168-L203 HydrophobicContact CD1-CD1 4.08Å; I168-I212 HydrophobicContact CB-CD1 4.25Å; I168-I212 HydrophobicContact CD1-CD1 4.34Å; I168-I212 HydrophobicContact CG2-CD1 4.05Å
169K75.8Confident64.1Low75 Ų7573.8 Ų73.833%0.32637%0.373SS..EExtended strand (participates in β ladder)trans-117147.7173.9-53.1-176-176.2-179.30109.3V167 M178 F180 E186V167-K169 HydrophobicContact CG1-CG 4.06Å; K169-M178 PolarHBondContact N-O 3.08Å; K169-M178 PolarHBondContact O-N 3.32Å; K169-F180 HydrophobicContact CB-CD2 4.3Å; K169-F180 HydrophobicContact CB-CE2 3.99Å; K169-F180 HydrophobicContact CD-CD2 3.84Å; K169-F180 HydrophobicContact CD-CE2 3.82Å; K169-F180 HydrophobicContact CG-CD2 3.92Å; K169-F180 HydrophobicContact CG-CE2 4.02Å; K169-E186 IonicContact NZ-OE1 2.9Å; K169-E186 PolarHBondContact NZ-OE1 3.11Å; K169-E186 IonicContact NZ-OE2 2.77Å; K169-E186 PolarHBondContact NZ-OE2 2.75Å
170V75.1Confident66.6Low24 Ų2467.1 Ų67.115%0.14534%0.336CS..EExtended strand (participates in β ladder)trans-122.8125.4-176.5-172.90000110.7V177 I198 I212 L214V170-V177 HydrophobicContact CG1-CG2 4.29Å; V170-V177 HydrophobicContact CG2-CG2 4.26Å; V170-I198 HydrophobicContact CG1-CB 4.34Å; V170-I198 HydrophobicContact CG1-CD1 3.61Å; V170-I198 HydrophobicContact CG1-CG2 4.09Å; V170-I212 HydrophobicContact CG2-CG2 4.42Å; V170-L214 HydrophobicContact CB-CD2 3.9Å; V170-L214 HydrophobicContact CG1-CD2 3.89Å; V170-L214 HydrophobicContact CG2-CD2 3.88Å
171S76.4Confident68.7Low18 Ų1859.3 Ų59.313%0.12630%0.302CS..EExtended strand (participates in β ladder)trans-92103.8167.3-179.10000109.6P173 D174 W175 K176S171-P173 WeakPolarHBondContact OG-CD 3.45Å; S171-D174 WeakPolarHBondContact OG-CB 3.41Å; S171-D174 PolarHBondContact OG-N 3.08Å; S171-D174 PolarHBondContact OG-OD2 3.43Å; S171-W175 PolarHBondContact O-N 3.01Å; S171-W175 VanDerWaalsContact O-N 3.12Å; S171-K176 PolarHBondContact N-O 3.18Å; S171-K176 PolarHBondContact O-N 3.02Å; S171-K176 VanDerWaalsContact O-N 3.08Å
172V74.4Confident70.4Confident1 Ų155.6 Ų55.61%0.00629%0.286CS..THydrogen-bonded Turntrans-59.5-42.4171.4-179.60000112.8W175 L214 Y246V172-W175 VanDerWaalsContact O-CD1 3.23Å; V172-L214 HydrophobicContact CG2-CB 4.1Å; V172-Y246 HydrophobicContact CG1-CD1 3.75Å; V172-Y246 HydrophobicContact CG1-CD2 4.42Å; V172-Y246 HydrophobicContact CG1-CE1 3.81Å; V172-Y246 HydrophobicContact CG1-CE2 4.47Å; V172-Y246 HydrophobicContact CG1-CG 4.07Å
173P70.6Confident71.8Confident23 Ų2354 Ų5415%0.14928%0.278CS..THydrogen-bonded Turntrans-74.4-33.3179.427-34.5000114.5S171 Y246 N332S171-P173 WeakPolarHBondContact OG-CD 3.45Å; P173-Y246 HydrophobicContact CB-CE2 4.24Å; P173-N332 WeakPolarHBondContact O-CB 3.26Å; P173-N332 PolarHBondContact O-ND2 2.83Å
174D70.4Confident72.5Confident52 Ų5252.1 Ų52.128%0.27828%0.281SS..THydrogen-bonded Turntrans-85.2-9.4178.4-59.9-76.9000113.7S171 K176 Q193 R294S171-D174 WeakPolarHBondContact OG-CB 3.41Å; S171-D174 PolarHBondContact OG-N 3.08Å; S171-D174 PolarHBondContact OG-OD2 3.43Å; D174-K176 VanDerWaalsContact C-N 3.3Å; D174-K176 HydrophobicContact CB-CB 4.2Å; D174-K176 HydrophobicContact CB-CD 3.98Å; D174-K176 HydrophobicContact CB-CG 3.86Å; D174-Q193 PolarHBondContact O-NE2 3.07Å; D174-R294 IonicContact OD1-NH2 3.66Å
175W79.8Confident73Confident42 Ų4253.9 Ų53.916%0.15929%0.291CS..THydrogen-bonded Turntrans5741.1-168.2-45.9-26.4000112.4S171 V172 F194 P197 F250S171-W175 PolarHBondContact O-N 3.01Å; S171-W175 VanDerWaalsContact O-N 3.12Å; V172-W175 VanDerWaalsContact O-CD1 3.23Å; W175-F194 PolarHBondContact O-N 3.31Å; W175-P197 HydrophobicContact CD2-CG 4.46Å; W175-P197 HydrophobicContact CZ2-CG 4.17Å; W175-F250 AromaticContact CH2-CD2 3.64Å; W175-F250 HydrophobicContact CH2-CD2 3.64Å; W175-F250 AromaticContact CH2-CE2 3.93Å; W175-F250 HydrophobicContact CH2-CE2 3.93Å; W175-F250 AromaticContact CZ2-CD2 3.88Å; W175-F250 HydrophobicContact CZ2-CD2 3.88Å; W175-F250 HydrophobicContact CZ3-CD2 4.28Å; W175-F250 HydrophobicContact CZ3-CE2 4.12Å
176K80.5Confident73.1Confident38 Ų3854.7 Ų54.717%0.16529%0.292CS..EExtended strand (participates in β ladder)trans-114.2139.4-176.5-73.9-175.2169-162.80112.8S171 D174 E191 H192 Q193S171-K176 PolarHBondContact N-O 3.18Å; S171-K176 PolarHBondContact O-N 3.02Å; S171-K176 VanDerWaalsContact O-N 3.08Å; D174-K176 VanDerWaalsContact C-N 3.3Å; D174-K176 HydrophobicContact CB-CB 4.2Å; D174-K176 HydrophobicContact CB-CD 3.98Å; D174-K176 HydrophobicContact CB-CG 3.86Å; K176-E191 WeakPolarHBondContact CD-OE2 3.5Å; K176-E191 WeakPolarHBondContact CE-OE2 3.48Å; K176-E191 IonicContact NZ-OE1 3.93Å; K176-E191 PolarHBondContact NZ-OE1 3.28Å; K176-E191 IonicContact NZ-OE2 3.27Å; K176-E191 PolarHBondContact NZ-OE2 3.29Å; K176-H192 WeakPolarHBondContact CA-O 3.4Å; K176-Q193 HydrophobicContact CG-CB 3.8Å; K176-Q193 HydrophobicContact CG-CG 3.75Å
177V82.4Confident73.1Confident19 Ų1960.8 Ų60.812%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-106.9137.6161.4-177.90000108.4I168 V170 W190 E191 H192 F194 I198I168-V177 HydrophobicContact CG2-CG1 3.55Å; V170-V177 HydrophobicContact CG1-CG2 4.29Å; V170-V177 HydrophobicContact CG2-CG2 4.26Å; V177-W190 HydrophobicContact CB-CH2 4.37Å; V177-W190 HydrophobicContact CB-CZ3 4.13Å; V177-W190 HydrophobicContact CG1-CH2 3.7Å; V177-W190 HydrophobicContact CG1-CZ3 3.91Å; V177-E191 CarbonylContact O-C 3.56Å; V177-E191 WeakPolarHBondContact O-CA 3.34Å; V177-H192 PolarHBondContact N-O 3.39Å; V177-H192 PolarHBondContact O-N 2.71Å; V177-F194 HydrophobicContact CB-CE2 4.2Å; V177-F194 HydrophobicContact CG2-CD2 4.37Å; V177-F194 HydrophobicContact CG2-CE2 3.65Å; V177-F194 HydrophobicContact CG2-CZ 4.5Å; V177-I198 HydrophobicContact CG2-CD1 3.72Å
178M82.2Confident73.2Confident42 Ų4261.6 Ų61.621%0.20731%0.312CS..EExtended strand (participates in β ladder)trans-131.9135.6-177.4-66176.1-7200109.7I168 K169 F180 L188 W190 E191I168-M178 CarbonylContact C-O 3.57Å; I168-M178 WeakPolarHBondContact CA-O 3.46Å; K169-M178 PolarHBondContact N-O 3.08Å; K169-M178 PolarHBondContact O-N 3.32Å; M178-F180 HydrophobicContact CB-CD2 4.3Å; M178-F180 HydrophobicContact CB-CE2 3.51Å; M178-F180 HydrophobicContact CB-CZ 4.03Å; M178-F180 HydrophobicContact CE-CE2 4.44Å; M178-F180 HydrophobicContact CE-CZ 4.49Å; M178-F180 HydrophobicContact CG-CE2 4.5Å; M178-F180 HydrophobicContact SD-CE2 4.33Å; M178-F180 HydrophobicContact SD-CZ 4.05Å; M178-L188 HydrophobicContact CB-CD1 3.75Å; M178-L188 HydrophobicContact CG-CD1 4.03Å; M178-L188 HydrophobicContact SD-CD1 4.45Å; M178-W190 WeakPolarHBondContact CA-O 3.47Å; M178-E191 HydrophobicContact CG-CB 3.95Å
179A82.4Confident73.3Confident0 Ų063.2 Ų63.20%033%0.325CS..EExtended strand (participates in β ladder)trans-109130170.400000110.6L166 V189 W190L166-A179 HydrophobicContact CD2-CB 4.35Å; A179-V189 PolarHBondContact O-N 3.37Å; A179-W190 HydrophobicContact CB-CD2 3.93Å; A179-W190 VanDerWaalsContact CB-CE2 3.41Å; A179-W190 HydrophobicContact CB-CG 4.18Å; A179-W190 HydrophobicContact CB-CZ2 3.78Å; A179-W190 VanDerWaalsContact CB-NE1 3.34Å; A179-W190 PolarHBondContact N-O 3.26Å
180F79.6Confident73.6Confident25 Ų2565 Ų6511%0.1133%0.329CS..EExtended strand (participates in β ladder)trans-112.8140.9178.3-63.5-91.4000109.9L166 V167 K169 M178 E186 R187 L188L166-F180 CarbonylContact C-O 3.59Å; L166-F180 WeakPolarHBondContact CA-O 3.21Å; V167-F180 HydrophobicContact CB-CB 4.48Å; V167-F180 PolarHBondContact N-O 2.75Å; V167-F180 PolarHBondContact O-N 3.38Å; K169-F180 HydrophobicContact CB-CD2 4.3Å; K169-F180 HydrophobicContact CB-CE2 3.99Å; K169-F180 HydrophobicContact CD-CD2 3.84Å; K169-F180 HydrophobicContact CD-CE2 3.82Å; K169-F180 HydrophobicContact CG-CD2 3.92Å; K169-F180 HydrophobicContact CG-CE2 4.02Å; M178-F180 HydrophobicContact CB-CD2 4.3Å; M178-F180 HydrophobicContact CB-CE2 3.51Å; M178-F180 HydrophobicContact CB-CZ 4.03Å; M178-F180 HydrophobicContact CE-CE2 4.44Å; M178-F180 HydrophobicContact CE-CZ 4.49Å; M178-F180 HydrophobicContact CG-CE2 4.5Å; M178-F180 HydrophobicContact SD-CE2 4.33Å; M178-F180 HydrophobicContact SD-CZ 4.05Å; F180-E186 HydrophobicContact CD1-CB 4.34Å; F180-E186 WeakPolarHBondContact CD1-O 3.38Å; F180-R187 WeakPolarHBondContact CA-O 3.37Å; F180-L188 HydrophobicContact CD1-CB 4.28Å; F180-L188 HydrophobicContact CD1-CD1 4.4Å; F180-L188 HydrophobicContact CE1-CB 4.04Å; F180-L188 HydrophobicContact CE1-CD1 3.95Å; F180-L188 HydrophobicContact CE2-CD1 4.32Å; F180-L188 HydrophobicContact CZ-CD1 3.9Å
181S76.6Confident74.1Confident25 Ų2568.6 Ų68.618%0.17535%0.345CS..EExtended strand (participates in β ladder)trans-70.6141.9168.9174.40000110.2E183 R187S181-E183 PolarHBondContact O-N 2.85Å; S181-E183 PolarHBondContact OG-N 3.02Å; S181-R187 PolarHBondContact N-O 3.02Å
182T67.2Low74.2Confident83 Ų8372.8 Ų72.851%0.50936%0.362SS..SBendtrans-69.7-4.5171.249.60000114.4D165 V167D165-T182 HydrophobicContact CB-CG2 3.85Å; D165-T182 VanDerWaalsContact CB-OG1 3.24Å; D165-T182 WeakPolarHBondContact CB-OG1 3.42Å; D165-T182 PolarHBondContact O-N 3.48Å; D165-T182 PolarHBondContact O-OG1 3.1Å; V167-T182 HydrophobicContact CG2-CG2 3.81Å
183E68.2Low74.7Confident132 Ų13278 Ų7862%0.61739%0.386SS*.SBendtrans-56.4145.1169-74.8-177-164.900111S181 N185 E186S181-E183 PolarHBondContact O-N 2.85Å; S181-E183 PolarHBondContact OG-N 3.02Å; E183-N185 PolarHBondContact O-N 3.39Å; E183-E186 PolarHBondContact O-N 3.45Å
184P56.7Low75.2Confident131 Ų13180.8 Ų80.885%0.85140%0.396SS*.THydrogen-bonded Turntrans-67.713.2-163.926.8-37.1000116.8
185N55.7Low75.6Confident147 Ų14784 Ų8479%0.78642%0.421SS*.THydrogen-bonded Turntrans-113.77.3173.5-68.4-43.9000113.3E183 R187E183-N185 PolarHBondContact O-N 3.39Å; N185-R187 PolarHBondContact O-N 3.15Å
186E61.2Low75.6Confident103 Ų10385.4 Ų85.448%0.48144%0.435SS..  trans38.259.1-173.8-74.2-152.6161.800112.9K169 F180 E183 L188K169-E186 IonicContact NZ-OE1 2.9Å; K169-E186 PolarHBondContact NZ-OE1 3.11Å; K169-E186 IonicContact NZ-OE2 2.77Å; K169-E186 PolarHBondContact NZ-OE2 2.75Å; F180-E186 HydrophobicContact CD1-CB 4.34Å; F180-E186 WeakPolarHBondContact CD1-O 3.38Å; E183-E186 PolarHBondContact O-N 3.45Å; E186-L188 PolarHBondContact O-N 2.83Å
187R67.2Low75.6Confident192 Ų19285 Ų8573%0.72544%0.436SS*.  trans-73.7122-178.3-170173.7-178.8174.20.7110.2F180 S181 N185 V189F180-R187 WeakPolarHBondContact CA-O 3.37Å; S181-R187 PolarHBondContact N-O 3.02Å; N185-R187 PolarHBondContact O-N 3.15Å; R187-V189 WeakPolarHBondContact O-CG2 3.4Å; R187-V189 PolarHBondContact O-N 3.25Å
188L76.8Confident75.4Confident74 Ų7485 Ų8539%0.38744%0.435SS..EExtended strand (participates in β ladder)trans-56.8120.1168.7-176.969.7000109.6M178 F180 E186 W190 E191M178-L188 HydrophobicContact CB-CD1 3.75Å; M178-L188 HydrophobicContact CG-CD1 4.03Å; M178-L188 HydrophobicContact SD-CD1 4.45Å; F180-L188 HydrophobicContact CD1-CB 4.28Å; F180-L188 HydrophobicContact CD1-CD1 4.4Å; F180-L188 HydrophobicContact CE1-CB 4.04Å; F180-L188 HydrophobicContact CE1-CD1 3.95Å; F180-L188 HydrophobicContact CE2-CD1 4.32Å; F180-L188 HydrophobicContact CZ-CD1 3.9Å; E186-L188 PolarHBondContact O-N 2.83Å; L188-W190 WeakPolarHBondContact CD1-O 3.26Å; L188-E191 HydrophobicContact CD1-CB 4.49Å; L188-E191 HydrophobicContact CD2-CB 4.4Å; L188-E191 HydrophobicContact CD2-CG 4.49Å
189V80.2Confident75.1Confident82 Ų8285.7 Ų85.750%0.49745%0.447SS..EExtended strand (participates in β ladder)trans-92.6-44.7-179.3-176.80000110L166 A179 R187L166-V189 HydrophobicContact CD2-CB 4.17Å; L166-V189 HydrophobicContact CD2-CG1 4.33Å; L166-V189 HydrophobicContact CD2-CG2 3.73Å; A179-V189 PolarHBondContact O-N 3.37Å; R187-V189 WeakPolarHBondContact O-CG2 3.4Å; R187-V189 PolarHBondContact O-N 3.25Å
190W82Confident74.8Confident111 Ų11188 Ų8842%0.4246%0.464SS..EExtended strand (participates in β ladder)trans-152.5152.2170.258.2-99000111V177 M178 A179 L188 H192V177-W190 HydrophobicContact CB-CH2 4.37Å; V177-W190 HydrophobicContact CB-CZ3 4.13Å; V177-W190 HydrophobicContact CG1-CH2 3.7Å; V177-W190 HydrophobicContact CG1-CZ3 3.91Å; M178-W190 WeakPolarHBondContact CA-O 3.47Å; A179-W190 HydrophobicContact CB-CD2 3.93Å; A179-W190 VanDerWaalsContact CB-CE2 3.41Å; A179-W190 HydrophobicContact CB-CG 4.18Å; A179-W190 HydrophobicContact CB-CZ2 3.78Å; A179-W190 VanDerWaalsContact CB-NE1 3.34Å; A179-W190 PolarHBondContact N-O 3.26Å; L188-W190 WeakPolarHBondContact CD1-O 3.26Å; W190-H192 HydrophobicContact CE3-CB 4.15Å; W190-H192 HydrophobicContact CZ3-CB 3.93Å
191E85.3Confident74.8Confident101 Ų10187.8 Ų87.847%0.47247%0.467SS..EExtended strand (participates in β ladder)trans-120.8147.3161.563163.9-165.500110.1K176 V177 M178 L188K176-E191 WeakPolarHBondContact CD-OE2 3.5Å; K176-E191 WeakPolarHBondContact CE-OE2 3.48Å; K176-E191 IonicContact NZ-OE1 3.93Å; K176-E191 PolarHBondContact NZ-OE1 3.28Å; K176-E191 IonicContact NZ-OE2 3.27Å; K176-E191 PolarHBondContact NZ-OE2 3.29Å; V177-E191 CarbonylContact O-C 3.56Å; V177-E191 WeakPolarHBondContact O-CA 3.34Å; M178-E191 HydrophobicContact CG-CB 3.95Å; L188-E191 HydrophobicContact CD1-CB 4.49Å; L188-E191 HydrophobicContact CD2-CB 4.4Å; L188-E191 HydrophobicContact CD2-CG 4.49Å
192H79.9Confident75.1Confident106 Ų10690.3 Ų90.349%0.49147%0.472SS..EExtended strand (participates in β ladder)trans-133.9124.3172.3-166.586.4000109.4K176 V177 W190 F194K176-H192 WeakPolarHBondContact CA-O 3.4Å; V177-H192 PolarHBondContact N-O 3.39Å; V177-H192 PolarHBondContact O-N 2.71Å; W190-H192 HydrophobicContact CE3-CB 4.15Å; W190-H192 HydrophobicContact CZ3-CB 3.93Å; H192-F194 AromaticContact CD2-CD2 3.97Å; H192-F194 AromaticContact CD2-CE2 3.64Å; H192-F194 AromaticContact CD2-CZ 3.71Å
193Q83.8Confident75.7Confident109 Ų10990.3 Ų90.351%0.50947%0.469SS..EExtended strand (participates in β ladder)trans-102.1126.2177.7-168.2166.514.200110.3D174 K176D174-Q193 PolarHBondContact O-NE2 3.07Å; K176-Q193 HydrophobicContact CG-CB 3.8Å; K176-Q193 HydrophobicContact CG-CG 3.75Å
194F81.8Confident76Confident82 Ų8287.2 Ų87.236%0.3646%0.459SS..  trans-89.5147.9179-68.5-96.2000110.8W175 V177 H192 T196 I198W175-F194 PolarHBondContact O-N 3.31Å; V177-F194 HydrophobicContact CB-CE2 4.2Å; V177-F194 HydrophobicContact CG2-CD2 4.37Å; V177-F194 HydrophobicContact CG2-CE2 3.65Å; V177-F194 HydrophobicContact CG2-CZ 4.5Å; H192-F194 AromaticContact CD2-CD2 3.97Å; H192-F194 AromaticContact CD2-CE2 3.64Å; H192-F194 AromaticContact CD2-CZ 3.71Å; F194-T196 WeakPolarHBondContact CB-O 3.29Å; F194-T196 PolarHBondContact O-N 3.1Å; F194-I198 HydrophobicContact CD2-CD1 3.97Å; F194-I198 HydrophobicContact CD2-CG1 4.19Å; F194-I198 HydrophobicContact CE2-CD1 4.44Å
195C78.3Confident76.4Confident119 Ų11983 Ų8380%0.80444%0.439SS*.SBendtrans-76.45.3173.8-600000113.4
196T80.3Confident76.7Confident73 Ų7380.6 Ų80.645%0.44845%0.449SS..SBendtrans-147.5147.9-172.552.20000110.2F194 F250F194-T196 WeakPolarHBondContact CB-O 3.29Å; F194-T196 PolarHBondContact O-N 3.1Å; T196-F250 HydrophobicContact CG2-CZ 3.99Å
197P79.7Confident76.8Confident30 Ų3078.7 Ų78.720%0.19546%0.457CS..  trans-53.3145.7172.8-26.632.9000114.3W175 F250 Y255W175-P197 HydrophobicContact CD2-CG 4.46Å; W175-P197 HydrophobicContact CZ2-CG 4.17Å; P197-F250 HydrophobicContact CG-CB 3.95Å; P197-F250 HydrophobicContact CG-CD2 3.81Å; P197-F250 HydrophobicContact CG-CE2 4.48Å; P197-F250 HydrophobicContact CG-CG 3.87Å; P197-Y255 WeakPolarHBondContact CB-OH 3.34Å; P197-Y255 HydrophobicContact CG-CE1 4.07Å
198I78.6Confident76.9Confident17 Ų1776.1 Ų76.19%0.08745%0.451CS..  trans-92.5105.1179.8-57.6164.5000108.8V170 V177 F194 L214 Q257V170-I198 HydrophobicContact CG1-CB 4.34Å; V170-I198 HydrophobicContact CG1-CD1 3.61Å; V170-I198 HydrophobicContact CG1-CG2 4.09Å; V177-I198 HydrophobicContact CG2-CD1 3.72Å; F194-I198 HydrophobicContact CD2-CD1 3.97Å; F194-I198 HydrophobicContact CD2-CG1 4.19Å; F194-I198 HydrophobicContact CE2-CD1 4.44Å; I198-L214 HydrophobicContact CG2-CD1 4.49Å; I198-L214 HydrophobicContact CG2-CD2 4.36Å; I198-Q257 PolarHBondContact O-NE2 3.24Å
199A75.5Confident77Confident57 Ų5773.8 Ų73.847%0.47144%0.44SS..  trans-80.1-34.4-17800000113.6L6 L214 Q257L6-A199 HydrophobicContact CD1-CB 4.25Å; A199-L214 WeakPolarHBondContact O-CD1 3.29Å; A199-Q257 PolarHBondContact O-NE2 2.82Å
200S77.4Confident76.9Confident50 Ų5072.5 Ų72.535%0.3543%0.432SS..  trans-159.3159.6-177.144.80000110W202S200-W202 WeakPolarHBondContact OG-CH2 3.41Å; S200-W202 WeakPolarHBondContact OG-CZ3 3.37Å
201A79.1Confident76.4Confident20 Ų2072.1 Ų72.117%0.16544%0.444CS..  trans-149.1149.2175.900000111.2I212 L214A201-I212 HydrophobicContact CB-CB 4.14Å; A201-I212 HydrophobicContact CB-CD1 4.28Å; A201-I212 PolarHBondContact O-N 2.72Å; A201-L214 HydrophobicContact CB-CD2 4.18Å
202W82Confident75.9Confident77 Ų7769.1 Ų69.129%0.29243%0.431SS..EExtended strand (participates in β ladder)trans-137.2145.3176.6-61-93000110.4F112 L114 S200 V209 T210F112-W202 HydrophobicContact CB-CH2 4.05Å; F112-W202 VanDerWaalsContact O-CH2 3.28Å; F112-W202 WeakPolarHBondContact O-CH2 3.3Å; F112-W202 WeakPolarHBondContact O-CZ2 3.31Å; L114-W202 HydrophobicContact CB-CD2 4.21Å; L114-W202 HydrophobicContact CB-CG 4.41Å; L114-W202 HydrophobicContact CD2-CB 4.26Å; L114-W202 HydrophobicContact CD2-CG 4.41Å; S200-W202 WeakPolarHBondContact OG-CH2 3.41Å; S200-W202 WeakPolarHBondContact OG-CZ3 3.37Å; W202-V209 HydrophobicContact CB-CG1 3.87Å; W202-V209 HydrophobicContact CG-CG1 3.99Å; W202-T210 CarbonylContact C-O 3.6Å; W202-T210 VanDerWaalsContact CA-O 3.29Å; W202-T210 WeakPolarHBondContact CA-O 3.46Å
203L79.7Confident75.4Confident84 Ų8465.9 Ų65.944%0.4442%0.42SS..EExtended strand (participates in β ladder)trans-94.6131.8163.817962.5000108.4I168 V209 T210 I212I168-L203 HydrophobicContact CD1-CD1 4.08Å; L203-V209 WeakPolarHBondContact O-CA 3.3Å; L203-T210 PolarHBondContact N-O 3.33Å; L203-T210 PolarHBondContact O-N 3.41Å; L203-T210 PolarHBondContact O-OG1 2.91Å; L203-I212 HydrophobicContact CB-CD1 4.28Å; L203-I212 HydrophobicContact CB-CG1 4.44Å
204V74.1Confident74.7Confident67 Ų6761.7 Ų61.741%0.40640%0.401SS..EExtended strand (participates in β ladder)trans-113.9118.5175.5-176.80000107.6L84 L114 V209L84-V204 HydrophobicContact CD2-CG1 4.27Å; L114-V204 HydrophobicContact CD2-CG2 3.9Å; V204-V209 HydrophobicContact CG2-CG1 4.44Å; V204-V209 HydrophobicContact CG2-CG2 4.35Å
205G66.1Low74Confident43 Ų4359.4 Ų59.444%0.44339%0.391SS..EExtended strand (participates in β ladder)trans-174.1153.2-175.100000112.9G207 K208G205-G207 PolarHBondContact O-N 3.4Å; G205-G207 VanDerWaalsContact O-N 3.11Å; G205-K208 PolarHBondContact N-O 3Å; G205-K208 PolarHBondContact O-N 3.43Å
206G62.3Low72.8Confident95 Ų9558.1 Ų58.198%0.97938%0.376SS*.THydrogen-bonded Turntrans59.623.3176.900000115.3K208G206-K208 VanDerWaalsContact C-N 3.34Å
207G63Low71.3Confident63 Ų6360.4 Ų60.465%0.64939%0.386SS*.THydrogen-bonded Turntrans76.516.7-173.600000114.6G205G205-G207 PolarHBondContact O-N 3.4Å; G205-G207 VanDerWaalsContact O-N 3.11Å
208K70.2Confident69.4Low139 Ų13963.8 Ų63.860%0.60441%0.406SS*.EExtended strand (participates in β ladder)trans-131.2153178.9-168.7175.3179.4-176.60111.4G205 G206 T210G205-K208 PolarHBondContact N-O 3Å; G205-K208 PolarHBondContact O-N 3.43Å; G206-K208 VanDerWaalsContact C-N 3.34Å; K208-T210 HydrophobicContact CD-CG2 4.14Å; K208-T210 HydrophobicContact CG-CG2 4.32Å
209V78.5Confident67.4Low25 Ų2568.2 Ų68.215%0.15243%0.434CS..EExtended strand (participates in β ladder)trans-105.7129.9165.4-174.70000108L84 L114 L116 W202 L203 V204L84-V209 HydrophobicContact CD2-CG2 4.29Å; L114-V209 HydrophobicContact CB-CG1 4.19Å; L114-V209 HydrophobicContact CD2-CG1 3.97Å; L114-V209 HydrophobicContact CG-CG1 4.14Å; L114-V209 HydrophobicContact CG-CG2 4.39Å; L116-V209 HydrophobicContact CB-CG2 3.82Å; W202-V209 HydrophobicContact CB-CG1 3.87Å; W202-V209 HydrophobicContact CG-CG1 3.99Å; L203-V209 WeakPolarHBondContact O-CA 3.3Å; V204-V209 HydrophobicContact CG2-CG1 4.44Å; V204-V209 HydrophobicContact CG2-CG2 4.35Å
210T76.8Confident65.4Low54 Ų5475.5 Ų75.533%0.33145%0.451SS..EExtended strand (participates in β ladder)trans-123.6128.2174.146.20000110.5W202 L203 K208W202-T210 CarbonylContact C-O 3.6Å; W202-T210 VanDerWaalsContact CA-O 3.29Å; W202-T210 WeakPolarHBondContact CA-O 3.46Å; L203-T210 PolarHBondContact N-O 3.33Å; L203-T210 PolarHBondContact O-N 3.41Å; L203-T210 PolarHBondContact O-OG1 2.91Å; K208-T210 HydrophobicContact CD-CG2 4.14Å; K208-T210 HydrophobicContact CG-CG2 4.32Å
211P72.4Confident63.1Low103 Ų10377.8 Ų77.867%0.66947%0.467SS*.EExtended strand (participates in β ladder)trans-70.3143.2175.330.3-34.1000110.6
212I73.8Confident60.6Low39 Ų3981.5 Ų81.520%0.249%0.491CS..PPolyproline II helixtrans-100124.9173.8-58.9171.5000107.6I168 V170 A201 L203I168-I212 HydrophobicContact CB-CD1 4.25Å; I168-I212 HydrophobicContact CD1-CD1 4.34Å; I168-I212 HydrophobicContact CG2-CD1 4.05Å; V170-I212 HydrophobicContact CG2-CG2 4.42Å; A201-I212 HydrophobicContact CB-CB 4.14Å; A201-I212 HydrophobicContact CB-CD1 4.28Å; A201-I212 PolarHBondContact O-N 2.72Å; L203-I212 HydrophobicContact CB-CD1 4.28Å; L203-I212 HydrophobicContact CB-CG1 4.44Å
213S69.5Low58.2Low38 Ų3889.7 Ų89.727%0.26652%0.522SS..PPolyproline II helixtrans-68.8131.7173.6-176.50000110.3F215 D216S213-F215 VanDerWaalsContact C-N 3.33Å; S213-F215 PolarHBondContact OG-N 2.74Å; S213-D216 VanDerWaalsContact CB-OD1 3.23Å; S213-D216 WeakPolarHBondContact CB-OD1 3.33Å; S213-D216 VanDerWaalsContact CB-OD2 3.25Å; S213-D216 WeakPolarHBondContact CB-OD2 3.41Å; S213-D216 PolarHBondContact OG-OD1 3.04Å
214L70.7Confident55.7Low21 Ų2190.6 Ų90.611%0.1154%0.535CS..SBendtrans-88.7-0.8178-57.9-176.2000113.4V170 V172 I198 A199 A201 Q257V170-L214 HydrophobicContact CB-CD2 3.9Å; V170-L214 HydrophobicContact CG1-CD2 3.89Å; V170-L214 HydrophobicContact CG2-CD2 3.88Å; V172-L214 HydrophobicContact CG2-CB 4.1Å; I198-L214 HydrophobicContact CG2-CD1 4.49Å; I198-L214 HydrophobicContact CG2-CD2 4.36Å; A199-L214 WeakPolarHBondContact O-CD1 3.29Å; A201-L214 HydrophobicContact CB-CD2 4.18Å; L214-Q257 VanDerWaalsContact CD1-NE2 3.31Å
215F66.3Low53.4Low33 Ų3395.4 Ų95.415%0.14555%0.553CS.*SBendtrans-129.68.8-171.8-68.3-86.7000113.6S213 D217 Q257 S258 Y335S213-F215 VanDerWaalsContact C-N 3.33Å; S213-F215 PolarHBondContact OG-N 2.74Å; F215-D217 PolarHBondContact O-N 2.83Å; F215-Q257 HydrophobicContact CE2-CG 4.02Å; F215-Q257 HydrophobicContact CZ-CB 4.12Å; F215-Q257 HydrophobicContact CZ-CG 3.88Å; F215-Q257 VanDerWaalsContact CZ-O 3.3Å; F215-Q257 WeakPolarHBondContact CZ-O 3.27Å; F215-S258 VanDerWaalsContact CE2-O 3.32Å; F215-S258 WeakPolarHBondContact CE2-O 3.49Å; F215-Y335 HydrophobicContact CD1-CE1 4.12Å; F215-Y335 HydrophobicContact CE1-CD1 4.46Å; F215-Y335 AromaticContact CE1-CE1 3.97Å; F215-Y335 HydrophobicContact CE1-CE1 3.97Å
216D53.3Low51.8Low92 Ų9299.3 Ų99.349%0.49257%0.571SS.*SBendtrans-80.1117.2179.9-73.47.9000110.6S213 R261S213-D216 VanDerWaalsContact CB-OD1 3.23Å; S213-D216 WeakPolarHBondContact CB-OD1 3.33Å; S213-D216 VanDerWaalsContact CB-OD2 3.25Å; S213-D216 WeakPolarHBondContact CB-OD2 3.41Å; S213-D216 PolarHBondContact OG-OD1 3.04Å; D216-R261 IonicContact OD1-NH2 3.42Å
217D48.4Very low50.2Low122 Ų122103.9 Ų103.965%0.65256%0.564SS**  trans30.686167.2-62.4-23.1000118F215 T219F215-D217 PolarHBondContact O-N 2.83Å; D217-T219 PolarHBondContact O-N 3.36Å
218T40Very low49Very low101 Ų101109.4 Ų109.462%0.6257%0.573SS**  trans-7448.8164.949.50000112.7Y220T218-Y220 PolarHBondContact O-N 2.81Å
219T36.8Very low47.2Very low109 Ų109110 Ų11067%0.66958%0.582SS**  trans-78.765.2174.548.10000111.6D217 S221D217-T219 PolarHBondContact O-N 3.36Å; T219-S221 PolarHBondContact O-N 3.16Å
220Y33.6Very low45.1Very low211 Ų211115.5 Ų115.583%0.82761%0.611SS**  trans-73.466.3169-158.1-89.9000110.5T218 S222T218-Y220 PolarHBondContact O-N 2.81Å; Y220-S222 VanDerWaalsContact C-N 3.34Å; Y220-S222 PolarHBondContact O-N 3.33Å
221S28.5Very low43.3Very low98 Ų98122 Ų12269%0.68564%0.638SS**  trans-72.183.1-178.8-69.90000111.3T219 R223T219-S221 PolarHBondContact O-N 3.16Å; S221-R223 PolarHBondContact O-N 3.31Å
222S27.6Very low41.6Very low97 Ų97125.9 Ų125.968%0.67865%0.647SS**  trans-61.4101.316556.70000109.3Y220 S224Y220-S222 VanDerWaalsContact C-N 3.34Å; Y220-S222 PolarHBondContact O-N 3.33Å; S222-S224 PolarHBondContact O-N 3.17Å
223R30Very low39.6Very low250 Ų250129.8 Ų129.894%0.94366%0.664SS**  trans-76.884.5-160.2-170.4-175.8-176.1176.83.2114.5S221S221-R223 PolarHBondContact O-N 3.31Å
224S27.5Very low38Very low103 Ų103130.6 Ų130.672%0.7267%0.67SS**  trans-160.8125.7160.654.20000110.4S222S222-S224 PolarHBondContact O-N 3.17Å
225E27Very low36.3Very low168 Ų168135.6 Ų135.679%0.78570%0.697SS**  cis-139.7161.74.2-66.9-167.913600109.7K227E225-K227 PolarHBondContact O-N 3.41Å
226P31.5Very low34.9Very low125 Ų125139.9 Ų139.981%0.81272%0.715SS**  trans-69.5129.4169.929.9-34.1000111
227K29.8Very low34.1Very low191 Ų191139.5 Ų139.583%0.8372%0.716SS**  trans-129.5135.2154.6-74.6-173.2176.7175.60108.4E225E225-K227 PolarHBondContact O-N 3.41Å
228E35.9Very low33.5Very low179 Ų179140.8 Ų140.884%0.83672%0.718SS**  trans-83.3175.4-177.4-64.5161.2139.400110
229D33.8Very low33.5Very low151 Ų151140.1 Ų140.181%0.80772%0.718SS**  trans69.892.4173.6-51.9-27.1000117.6
230D34.8Very low33.5Very low141 Ų141136.9 Ų136.975%0.75470%0.702SS**  174.477.6129.9-92.1-23.4000112E232 E233D230-E232 VanDerWaalsContact C-N 3.27Å; D230-E232 PolarHBondContact O-N 2.84Å; D230-E232 VanDerWaalsContact O-N 3.15Å; D230-E233 PolarHBondContact O-N 3.13Å
231E38.3Very low33.8Very low190 Ų190129.7 Ų129.789%0.88869%0.686SS**THydrogen-bonded Turntrans-74.75.1-173.3-65-168.6139.300116.1
232E36.1Very low34.8Very low184 Ų184129.6 Ų129.686%0.8668%0.675SS**THydrogen-bonded Turntrans-105.91.5174.8-70.8-163.1148.600114.7D230 K236D230-E232 VanDerWaalsContact C-N 3.27Å; D230-E232 PolarHBondContact O-N 2.84Å; D230-E232 VanDerWaalsContact O-N 3.15Å; E232-K236 PolarHBondContact O-NZ 3.48Å
233E32.9Very low35.9Very low121 Ų121126.5 Ų126.557%0.56565%0.654SS**THydrogen-bonded Turntrans-111.8-24.3175.1-162.7109.8-84.200113.4D230 D235 K236D230-E233 PolarHBondContact O-N 3.13Å; E233-D235 PolarHBondContact O-N 3.28Å; E233-K236 WeakPolarHBondContact O-CB 3.47Å; E233-K236 PolarHBondContact O-N 3.14Å; E233-K236 IonicContact OE1-NZ 3.97Å; E233-K236 PolarHBondContact OE1-NZ 3.22Å
234S35.5Very low37.6Very low55 Ų55115 Ų11539%0.38561%0.611SS.*Hα-helixtrans-53.9-44.5-178.452.20000114.2K236 T237 Q238S234-K236 PolarHBondContact O-N 3.34Å; S234-T237 PolarHBondContact O-N 2.74Å; S234-T237 VanDerWaalsContact O-N 3.09Å; S234-T237 PolarHBondContact O-OG1 2.98Å; S234-Q238 PolarHBondContact O-N 3.44Å
235D34.7Very low39.6Very low126 Ų126110.1 Ų110.167%0.67458%0.577SS**Hα-helixtrans-58.8-30.6178.2-105.16.6000112.8E233 S239E233-D235 PolarHBondContact O-N 3.28Å; D235-S239 WeakPolarHBondContact O-CB 3.24Å; D235-S239 PolarHBondContact O-N 2.79Å
236K36.9Very low42Very low124 Ų124102.2 Ų102.254%0.53954%0.54SS..Hα-helixtrans-72.6-37.9178-53-172.6-165.987.30111.2E232 E233 S234 A240E232-K236 PolarHBondContact O-NZ 3.48Å; E233-K236 WeakPolarHBondContact O-CB 3.47Å; E233-K236 PolarHBondContact O-N 3.14Å; E233-K236 IonicContact OE1-NZ 3.97Å; E233-K236 PolarHBondContact OE1-NZ 3.22Å; S234-K236 PolarHBondContact O-N 3.34Å; K236-A240 WeakPolarHBondContact O-CB 3.36Å; K236-A240 PolarHBondContact O-N 3.12Å
237T35.8Very low44.1Very low83 Ų8396.3 Ų96.351%0.50950%0.502SS..Hα-helixtrans-72.5-39.1173.433.50000112.5S234 A240 A241S234-T237 PolarHBondContact O-N 2.74Å; S234-T237 VanDerWaalsContact O-N 3.09Å; S234-T237 PolarHBondContact O-OG1 2.98Å; T237-A240 WeakPolarHBondContact O-CB 3.36Å; T237-A240 PolarHBondContact O-N 3.42Å; T237-A240 VanDerWaalsContact O-N 3.13Å; T237-A241 PolarHBondContact O-N 3.46Å
238Q37.4Very low46.3Very low149 Ų14987.2 Ų87.270%0.69646%0.462SS*.Hα-helixtrans-72.6-35.4178.9-162.4159.13.400111.8S234 A240 A241S234-Q238 PolarHBondContact O-N 3.44Å; Q238-A240 VanDerWaalsContact C-N 3.25Å; Q238-A240 PolarHBondContact O-N 2.92Å; Q238-A241 WeakPolarHBondContact O-CB 3.19Å; Q238-A241 PolarHBondContact O-N 3.41Å
239S38.3Very low48Very low87 Ų8781.6 Ų81.661%0.60844%0.437SS*.Hα-helixtrans-68.6-19.7168.1-176.20000113.7D235 A241D235-S239 WeakPolarHBondContact O-CB 3.24Å; D235-S239 PolarHBondContact O-N 2.79Å; S239-A241 VanDerWaalsContact C-N 3.32Å
240A38.6Very low49.9Very low42 Ų4276.8 Ų76.835%0.34741%0.409SS..Hα-helixtrans-80.7-12.7173.100000113K236 T237 Q238 E242K236-A240 WeakPolarHBondContact O-CB 3.36Å; K236-A240 PolarHBondContact O-N 3.12Å; T237-A240 WeakPolarHBondContact O-CB 3.36Å; T237-A240 PolarHBondContact O-N 3.42Å; T237-A240 VanDerWaalsContact O-N 3.13Å; Q238-A240 VanDerWaalsContact C-N 3.25Å; Q238-A240 PolarHBondContact O-N 2.92Å; A240-E242 VanDerWaalsContact C-N 3.26Å; A240-E242 PolarHBondContact O-N 2.85Å
241A39.9Very low51.5Low59 Ų5978.6 Ų78.649%0.48841%0.413SS..THydrogen-bonded Turntrans-73.5-11.1176.400000113.7T237 Q238 S239 S243T237-A241 PolarHBondContact O-N 3.46Å; Q238-A241 WeakPolarHBondContact O-CB 3.19Å; Q238-A241 PolarHBondContact O-N 3.41Å; S239-A241 VanDerWaalsContact C-N 3.32Å; A241-S243 PolarHBondContact O-N 2.85Å
242E48.1Very low52.8Low97 Ų9772.3 Ų72.345%0.45340%0.399SS..  trans-68.862169.2-68.1-153.2133.600111.9A240 S244A240-E242 VanDerWaalsContact C-N 3.26Å; A240-E242 PolarHBondContact O-N 2.85Å; E242-S244 PolarHBondContact O-N 2.77Å; E242-S244 PolarHBondContact O-OG 3.49Å
243S51.7Low54.5Low32 Ų3268.9 Ų68.922%0.22438%0.383CS..EExtended strand (participates in β ladder)trans-62.892.3176.8-69.80000109.9A241A241-S243 PolarHBondContact O-N 2.85Å
244S65.6Low56.5Low8 Ų863.5 Ų63.56%0.05636%0.358CS..EExtended strand (participates in β ladder)trans-87.7-26.1-161.7-66.30000113.7E242 S259 I262 F336 Y338E242-S244 PolarHBondContact O-N 2.77Å; E242-S244 PolarHBondContact O-OG 3.49Å; S244-S259 PolarHBondContact O-N 3.36Å; S244-I262 VanDerWaalsContact O-CG2 3.29Å; S244-I262 WeakPolarHBondContact O-CG2 3.21Å; S244-F336 PolarHBondContact N-O 2.93Å; S244-Y338 VanDerWaalsContact OG-CB 3.32Å; S244-Y338 WeakPolarHBondContact OG-CB 3.36Å
245V69.6Low58.4Low1 Ų161.9 Ų61.91%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-143.9133.2179.5-163.80000110.6L256 Q257 V283 F336V245-L256 HydrophobicContact CG1-CB 4.1Å; V245-L256 HydrophobicContact CG1-CD2 3.75Å; V245-L256 HydrophobicContact CG1-CG 4.46Å; V245-Q257 WeakPolarHBondContact CA-O 3.25Å; V245-V283 HydrophobicContact CG2-CG2 4.16Å; V245-F336 PolarHBondContact O-N 2.86Å
246Y76Confident60.5Low1 Ų155.9 Ų55.90%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-99.4137.7166.3174.6-94.5000109.8V172 P173 Y255 L256 Q257 N332 G333 Y335V172-Y246 HydrophobicContact CG1-CD1 3.75Å; V172-Y246 HydrophobicContact CG1-CD2 4.42Å; V172-Y246 HydrophobicContact CG1-CE1 3.81Å; V172-Y246 HydrophobicContact CG1-CE2 4.47Å; V172-Y246 HydrophobicContact CG1-CG 4.07Å; P173-Y246 HydrophobicContact CB-CE2 4.24Å; Y246-Y255 HydrophobicContact CD1-CE2 4.36Å; Y246-Y255 HydrophobicContact CE1-CE2 4.28Å; Y246-L256 CarbonylContact O-C 3.54Å; Y246-L256 WeakPolarHBondContact O-CA 3.46Å; Y246-Q257 PolarHBondContact N-O 3.36Å; Y246-Q257 PolarHBondContact O-N 2.87Å; Y246-N332 PolarHBondContact OH-O 3.25Å; Y246-G333 WeakPolarHBondContact OH-CA 3.42Å; Y246-G333 PolarHBondContact OH-N 3.4Å; Y246-Y335 HydrophobicContact CD2-CD1 4.07Å; Y246-Y335 HydrophobicContact CD2-CD2 4.01Å; Y246-Y335 AromaticContact CD2-CE1 3.88Å; Y246-Y335 HydrophobicContact CD2-CE1 3.88Å; Y246-Y335 AromaticContact CD2-CE2 3.8Å; Y246-Y335 HydrophobicContact CD2-CE2 3.8Å; Y246-Y335 HydrophobicContact CD2-CG 4.15Å; Y246-Y335 AromaticContact CD2-CZ 3.74Å; Y246-Y335 HydrophobicContact CE2-CE2 4.14Å; Y246-Y335 HydrophobicContact CG-CE1 4.37Å
247L76.7Confident62.3Low1 Ų150.3 Ų50.31%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-112.2116171.8174.974.5000108.3I3 Y255 L256 W285 L326 G333 Y334 F336I3-L247 HydrophobicContact CD1-CD1 4.17Å; I3-L247 HydrophobicContact CG2-CD1 3.99Å; L247-Y255 WeakPolarHBondContact CA-O 3.37Å; L247-L256 HydrophobicContact CB-CD2 3.84Å; L247-L256 HydrophobicContact CD1-CD2 3.54Å; L247-L256 HydrophobicContact CD1-CG 4.02Å; L247-L256 HydrophobicContact CG-CD2 4.26Å; L247-W285 HydrophobicContact CD2-CH2 3.38Å; L247-W285 HydrophobicContact CD2-CZ2 4.1Å; L247-W285 HydrophobicContact CD2-CZ3 3.89Å; L247-L326 HydrophobicContact CD2-CD1 3.65Å; L247-L326 HydrophobicContact CG-CD1 3.89Å; L247-G333 CarbonylContact O-C 3.59Å; L247-G333 WeakPolarHBondContact O-CA 3.45Å; L247-Y334 PolarHBondContact N-O 3.45Å; L247-Y334 PolarHBondContact O-N 3.06Å; L247-F336 HydrophobicContact CB-CD2 4.06Å; L247-F336 HydrophobicContact CB-CE2 3.71Å; L247-F336 HydrophobicContact CD2-CE2 3.83Å; L247-F336 HydrophobicContact CD2-CZ 4.28Å; L247-F336 HydrophobicContact CG-CE2 4.45Å
248G74.9Confident64Low0 Ų047.3 Ų47.30%027%0.27CS..EExtended strand (participates in β ladder)trans-113.6167.7176.500000113.1L254 Y255 N332G248-L254 WeakPolarHBondContact O-CA 3.39Å; G248-Y255 VanDerWaalsContact C-CE1 3.49Å; G248-Y255 PolarHBondContact N-O 3.29Å; G248-Y255 WeakPolarHBondContact O-CD1 3.2Å; G248-Y255 PolarHBondContact O-N 2.97Å; G248-N332 WeakPolarHBondContact CA-O 3.29Å
249M73.5Confident65.3Low62 Ų6240.8 Ų40.831%0.30524%0.24SC..EExtended strand (participates in β ladder)trans-123.5130.7168.1-175.5168.757.700110.3Q253 L254 L326 N332M249-Q253 WeakPolarHBondContact CA-O 3.46Å; M249-L254 HydrophobicContact CB-CD2 4.21Å; M249-L254 HydrophobicContact CG-CD2 4.45Å; M249-L326 HydrophobicContact CE-CB 4.39Å; M249-L326 VanDerWaalsContact CE-O 3.24Å; M249-L326 WeakPolarHBondContact CE-O 3.33Å; M249-N332 PolarHBondContact N-O 3.04Å; M249-N332 VanDerWaalsContact N-O 3.16Å
250F72.2Confident66.2Low50 Ų5040.9 Ų40.922%0.21924%0.237CC..EExtended strand (participates in β ladder)trans-135.6129175.5-176.6-109.8000110.3W175 T196 P197 G252 Q253 Y255W175-F250 AromaticContact CH2-CD2 3.64Å; W175-F250 HydrophobicContact CH2-CD2 3.64Å; W175-F250 AromaticContact CH2-CE2 3.93Å; W175-F250 HydrophobicContact CH2-CE2 3.93Å; W175-F250 AromaticContact CZ2-CD2 3.88Å; W175-F250 HydrophobicContact CZ2-CD2 3.88Å; W175-F250 HydrophobicContact CZ3-CD2 4.28Å; W175-F250 HydrophobicContact CZ3-CE2 4.12Å; T196-F250 HydrophobicContact CG2-CZ 3.99Å; P197-F250 HydrophobicContact CG-CB 3.95Å; P197-F250 HydrophobicContact CG-CD2 3.81Å; P197-F250 HydrophobicContact CG-CE2 4.48Å; P197-F250 HydrophobicContact CG-CG 3.87Å; F250-G252 PolarHBondContact O-N 2.83Å; F250-Q253 PolarHBondContact N-O 3.5Å; F250-Q253 PolarHBondContact O-N 3.49Å; F250-Y255 HydrophobicContact CB-CD1 4.32Å; F250-Y255 HydrophobicContact CB-CE1 4.04Å
251Q68.3Low66.8Low179 Ų17945.8 Ų45.884%0.83625%0.247SC*.THydrogen-bonded Turntrans5128.7-176.6-62.4-179.4-4.700114.4
252G66.1Low67.4Low58 Ų5843.1 Ų43.160%0.59823%0.225SC*.THydrogen-bonded Turntrans85.8-3.5-176.900000115.4F250F250-G252 PolarHBondContact O-N 2.83Å
253Q71.4Confident67.6Low111 Ų11140.9 Ų40.952%0.51922%0.219SC..EExtended strand (participates in β ladder)trans-96.6134.8176179.355.551.100111.1M249 F250M249-Q253 WeakPolarHBondContact CA-O 3.46Å; F250-Q253 PolarHBondContact N-O 3.5Å; F250-Q253 PolarHBondContact O-N 3.49Å
254L75.1Confident67.5Low9 Ų947 Ų475%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-79.2139.9172.3-64.5178.5000111.4M1 I3 G248 M249 L323 L326M1-L254 HydrophobicContact CE-CD1 3.38Å; M1-L254 HydrophobicContact SD-CD1 4.05Å; I3-L254 HydrophobicContact CG2-CB 4.12Å; G248-L254 WeakPolarHBondContact O-CA 3.39Å; M249-L254 HydrophobicContact CB-CD2 4.21Å; M249-L254 HydrophobicContact CG-CD2 4.45Å; L254-L323 HydrophobicContact CD1-CD2 3.82Å; L254-L323 HydrophobicContact CD2-CD2 4.24Å; L254-L323 HydrophobicContact CG-CD2 3.94Å; L254-L326 HydrophobicContact CD2-CD1 3.36Å
255Y76.1Confident66.7Low21 Ų2151.3 Ų51.38%0.08226%0.262CS..EExtended strand (participates in β ladder)trans-139.5146.8172.271.2-86.8000111.5L6 P197 Y246 L247 G248 F250L6-Y255 HydrophobicContact CD1-CD2 3.77Å; L6-Y255 HydrophobicContact CD1-CE2 4.09Å; L6-Y255 HydrophobicContact CG-CD2 4.14Å; P197-Y255 WeakPolarHBondContact CB-OH 3.34Å; P197-Y255 HydrophobicContact CG-CE1 4.07Å; Y246-Y255 HydrophobicContact CD1-CE2 4.36Å; Y246-Y255 HydrophobicContact CE1-CE2 4.28Å; L247-Y255 WeakPolarHBondContact CA-O 3.37Å; G248-Y255 VanDerWaalsContact C-CE1 3.49Å; G248-Y255 PolarHBondContact N-O 3.29Å; G248-Y255 WeakPolarHBondContact O-CD1 3.2Å; G248-Y255 PolarHBondContact O-N 2.97Å; F250-Y255 HydrophobicContact CB-CD1 4.32Å; F250-Y255 HydrophobicContact CB-CE1 4.04Å
256L78.4Confident65.9Low0 Ų053.2 Ų53.20%027%0.27CS..EExtended strand (participates in β ladder)trans-103.6144.9170.4-66.9161.5000110.3I3 P4 S5 L6 F11 M20 V245 Y246 L247I3-L256 HydrophobicContact CB-CD1 3.86Å; I3-L256 HydrophobicContact CB-CG 4.37Å; I3-L256 HydrophobicContact CG2-CD1 3.73Å; I3-L256 HydrophobicContact CG2-CG 3.68Å; P4-L256 PolarHBondContact O-N 3.27Å; S5-L256 CarbonylContact C-O 3.18Å; S5-L256 WeakPolarHBondContact CA-O 3.47Å; L6-L256 WeakPolarHBondContact CG-O 3.42Å; L6-L256 PolarHBondContact N-O 2.81Å; F11-L256 HydrophobicContact CB-CD1 3.72Å; F11-L256 HydrophobicContact CD2-CD1 3.51Å; F11-L256 HydrophobicContact CE2-CD1 4.3Å; F11-L256 HydrophobicContact CG-CD1 3.71Å; M20-L256 HydrophobicContact CE-CD1 3.71Å; M20-L256 HydrophobicContact CE-CD2 3.76Å; M20-L256 HydrophobicContact CE-CG 4.4Å; M20-L256 HydrophobicContact SD-CD1 3.61Å; M20-L256 HydrophobicContact SD-CD2 4.08Å; M20-L256 HydrophobicContact SD-CG 4.47Å; V245-L256 HydrophobicContact CG1-CB 4.1Å; V245-L256 HydrophobicContact CG1-CD2 3.75Å; V245-L256 HydrophobicContact CG1-CG 4.46Å; Y246-L256 CarbonylContact O-C 3.54Å; Y246-L256 WeakPolarHBondContact O-CA 3.46Å; L247-L256 HydrophobicContact CB-CD2 3.84Å; L247-L256 HydrophobicContact CD1-CD2 3.54Å; L247-L256 HydrophobicContact CD1-CG 4.02Å; L247-L256 HydrophobicContact CG-CD2 4.26Å
257Q75.7Confident64.5Low6 Ų656.4 Ų56.43%0.02829%0.292CS..EExtended strand (participates in β ladder)trans-130.1112.9174.1-165.4170.66.600108L6 I198 A199 L214 F215 V245 Y246L6-Q257 HydrophobicContact CD1-CB 4.16Å; L6-Q257 HydrophobicContact CD1-CG 4Å; I198-Q257 PolarHBondContact O-NE2 3.24Å; A199-Q257 PolarHBondContact O-NE2 2.82Å; L214-Q257 VanDerWaalsContact CD1-NE2 3.31Å; F215-Q257 HydrophobicContact CE2-CG 4.02Å; F215-Q257 HydrophobicContact CZ-CB 4.12Å; F215-Q257 HydrophobicContact CZ-CG 3.88Å; F215-Q257 VanDerWaalsContact CZ-O 3.3Å; F215-Q257 WeakPolarHBondContact CZ-O 3.27Å; V245-Q257 WeakPolarHBondContact CA-O 3.25Å; Y246-Q257 PolarHBondContact N-O 3.36Å; Y246-Q257 PolarHBondContact O-N 2.87Å
258S70.6Confident62.9Low20 Ų2060.9 Ų60.914%0.1432%0.323CS..EExtended strand (participates in β ladder)trans-84.1146.4-179.4460000111.3D7 F215D7-S258 WeakPolarHBondContact OD2-CB 3.39Å; D7-S258 PolarHBondContact OD2-OG 2.95Å; F215-S258 VanDerWaalsContact CE2-O 3.32Å; F215-S258 WeakPolarHBondContact CE2-O 3.49Å
259S65.3Low61.3Low12 Ų1266.7 Ų66.78%0.08435%0.348CS..  trans-73.5145.9167.3177.50000111.2S244 R261 I262 S263S244-S259 PolarHBondContact O-N 3.36Å; S259-R261 PolarHBondContact O-N 3.14Å; S259-R261 VanDerWaalsContact O-N 3.12Å; S259-I262 WeakPolarHBondContact O-CG2 3.28Å; S259-I262 PolarHBondContact O-N 3.27Å; S259-S263 PolarHBondContact O-N 2.93Å; S259-S263 PolarHBondContact O-OG 3.01Å
260V55.9Low59.9Low90 Ų9066.1 Ų66.155%0.54535%0.353SS..Hα-helixtrans-54.7-36.4179.7-174.40000111.5I262 S263V260-I262 VanDerWaalsContact C-N 3.26Å; V260-I262 PolarHBondContact O-N 3.5Å; V260-S263 WeakPolarHBondContact CA-OG 3.42Å; V260-S263 PolarHBondContact O-N 2.79Å; V260-S263 PolarHBondContact O-OG 3.32Å
261R51.2Low58.6Low144 Ų14471.5 Ų71.554%0.54338%0.382SS..Hα-helixtrans-74.6-6.6178.2-55.7-172.9-164.8172.98.4114.5D216 S259 K265D216-R261 IonicContact OD1-NH2 3.42Å; S259-R261 PolarHBondContact O-N 3.14Å; S259-R261 VanDerWaalsContact O-N 3.12Å; R261-K265 WeakPolarHBondContact O-CD 3.43Å; R261-K265 WeakPolarHBondContact O-CE 3.47Å; R261-K265 PolarHBondContact O-NZ 2.63Å
262I53.3Low57.1Low4 Ų469.2 Ų69.22%0.02137%0.372CS..Hα-helixtrans-101.6-34.2171-154.979.5000111.3S244 S259 V260 E264 K265 F266 Y338S244-I262 VanDerWaalsContact O-CG2 3.29Å; S244-I262 WeakPolarHBondContact O-CG2 3.21Å; S259-I262 WeakPolarHBondContact O-CG2 3.28Å; S259-I262 PolarHBondContact O-N 3.27Å; V260-I262 VanDerWaalsContact C-N 3.26Å; V260-I262 PolarHBondContact O-N 3.5Å; I262-E264 VanDerWaalsContact C-N 3.27Å; I262-E264 PolarHBondContact O-N 2.96Å; I262-K265 HydrophobicContact CD1-CD 4.2Å; I262-K265 WeakPolarHBondContact O-CA 3.44Å; I262-K265 WeakPolarHBondContact O-CB 3.46Å; I262-K265 PolarHBondContact O-N 3.22Å; I262-F266 HydrophobicContact CB-CE2 4.21Å; I262-F266 HydrophobicContact CG1-CD2 4.49Å; I262-F266 HydrophobicContact CG1-CE2 3.62Å; I262-F266 HydrophobicContact CG1-CZ 4.19Å; I262-F266 HydrophobicContact CG2-CE2 3.94Å; I262-F266 WeakPolarHBondContact O-CD2 3.43Å; I262-F266 WeakPolarHBondContact O-CE2 3.46Å; I262-Y338 HydrophobicContact CD1-CD1 3.67Å; I262-Y338 HydrophobicContact CD1-CD2 4.16Å; I262-Y338 HydrophobicContact CD1-CE1 4.09Å; I262-Y338 HydrophobicContact CD1-CG 3.69Å
263S51.4Low55.7Low49 Ų4971.1 Ų71.134%0.34338%0.376SS..Hα-helixtrans-55.4-37.9177.334.40000113.7S259 V260 K265 F266S259-S263 PolarHBondContact O-N 2.93Å; S259-S263 PolarHBondContact O-OG 3.01Å; V260-S263 WeakPolarHBondContact CA-OG 3.42Å; V260-S263 PolarHBondContact O-N 2.79Å; V260-S263 PolarHBondContact O-OG 3.32Å; S263-K265 PolarHBondContact O-N 3.12Å; S263-F266 PolarHBondContact O-N 3.36Å
264E50.3Low54.3Low162 Ų16275.6 Ų75.676%0.75740%0.397SS*.THydrogen-bonded Turntrans-66.2-15.1175.7-62.7175.6159.100114I262I262-E264 VanDerWaalsContact C-N 3.27Å; I262-E264 PolarHBondContact O-N 2.96Å
265K48.6Very low52.5Low97 Ų9784.1 Ų84.142%0.42243%0.433SS..THydrogen-bonded Turntrans-101.6-4.7-176.9-62.8165.4-175.1148.90113R261 I262 S263R261-K265 WeakPolarHBondContact O-CD 3.43Å; R261-K265 WeakPolarHBondContact O-CE 3.47Å; R261-K265 PolarHBondContact O-NZ 2.63Å; I262-K265 HydrophobicContact CD1-CD 4.2Å; I262-K265 WeakPolarHBondContact O-CA 3.44Å; I262-K265 WeakPolarHBondContact O-CB 3.46Å; I262-K265 PolarHBondContact O-N 3.22Å; S263-K265 PolarHBondContact O-N 3.12Å
266F53.3Low50.5Low41 Ų4189.5 Ų89.518%0.1846%0.464CS..SBendtrans-89.2114.2166.2-63.4-95.5000108F11 A22 I262 S263 S268 P281F11-F266 AromaticContact CE1-CE1 3.74Å; F11-F266 HydrophobicContact CE1-CE1 3.74Å; F11-F266 AromaticContact CE1-CZ 3.99Å; F11-F266 HydrophobicContact CE1-CZ 3.99Å; F11-F266 AromaticContact CZ-CE1 3.67Å; F11-F266 HydrophobicContact CZ-CE1 3.67Å; F11-F266 AromaticContact CZ-CZ 3.71Å; F11-F266 HydrophobicContact CZ-CZ 3.71Å; A22-F266 HydrophobicContact CB-CD1 4.16Å; A22-F266 HydrophobicContact CB-CE1 3.98Å; I262-F266 HydrophobicContact CB-CE2 4.21Å; I262-F266 HydrophobicContact CG1-CD2 4.49Å; I262-F266 HydrophobicContact CG1-CE2 3.62Å; I262-F266 HydrophobicContact CG1-CZ 4.19Å; I262-F266 HydrophobicContact CG2-CE2 3.94Å; I262-F266 WeakPolarHBondContact O-CD2 3.43Å; I262-F266 WeakPolarHBondContact O-CE2 3.46Å; S263-F266 PolarHBondContact O-N 3.36Å; F266-S268 PolarHBondContact O-N 2.94Å; F266-S268 VanDerWaalsContact O-N 3.14Å; F266-P281 HydrophobicContact CD1-CB 4.39Å; F266-P281 HydrophobicContact CD1-CG 3.26Å; F266-P281 HydrophobicContact CE1-CB 4.08Å; F266-P281 HydrophobicContact CE1-CG 3.33Å; F266-P281 HydrophobicContact CG-CG 4.17Å; F266-P281 HydrophobicContact CZ-CG 4.28Å
267P46.3Very low48.7Very low69 Ų6996.8 Ų96.845%0.44850%0.501SS..  trans-66.1117.7-178.826.5-33.5000110.3K269 I278P267-K269 PolarHBondContact O-N 3.31Å; P267-I278 HydrophobicContact CG-CG2 4.47Å
268S43.3Very low47.2Very low94 Ų94102.3 Ų102.366%0.65753%0.529SS*.SBendtrans-65.6-28.417650.60000112.6F266F266-S268 PolarHBondContact O-N 2.94Å; F266-S268 VanDerWaalsContact O-N 3.14Å
269K42.2Very low45.9Very low123 Ų123104.3 Ų104.354%0.53554%0.543SS..  trans-97104.4165.1-66.7-160.8-179.2-168.50110.9P267 E272P267-K269 PolarHBondContact O-N 3.31Å; K269-E272 HydrophobicContact CD-CG 4.36Å; K269-E272 WeakPolarHBondContact CD-OE2 3.37Å; K269-E272 IonicContact NZ-OE1 2.76Å; K269-E272 PolarHBondContact NZ-OE1 2.71Å; K269-E272 IonicContact NZ-OE2 3.33Å; K269-E272 PolarHBondContact NZ-OE2 3.22Å
270A43Very low45.4Very low49 Ų49107.2 Ų107.241%0.40556%0.557SS.*  trans-94.7145.7150.600000108
271I45.2Very low45.3Very low163 Ų163103.7 Ų103.784%0.83654%0.536SS*.  trans72.357.8179.5-38166.2000114.3
272E37.2Very low45.5Very low132 Ų13299 Ų9962%0.61752%0.524SS*.SBendtrans-121.9109.7147.9-86.3-177.4172.600109K269K269-E272 HydrophobicContact CD-CG 4.36Å; K269-E272 WeakPolarHBondContact CD-OE2 3.37Å; K269-E272 IonicContact NZ-OE1 2.76Å; K269-E272 PolarHBondContact NZ-OE1 2.71Å; K269-E272 IonicContact NZ-OE2 3.33Å; K269-E272 PolarHBondContact NZ-OE2 3.22Å
273S36Very low46Very low98 Ų9899 Ų9969%0.68552%0.524SS*.  trans91.3131.8-177.281.70000118.2K275S273-K275 VanDerWaalsContact C-N 3.28Å; S273-K275 PolarHBondContact O-N 2.92Å
274E41.3Very low46.6Very low205 Ų205101.6 Ų101.696%0.95853%0.529SS*.THydrogen-bonded Turntrans-82.923.4-177.5-61.3-173.7112.200114.7
275K37.8Very low47.2Very low188 Ų18894.6 Ų94.682%0.81750%0.496SS*.THydrogen-bonded Turntrans-123.8-12.5-168.8-71.6-169.2175.8177.70117.8S273S273-K275 VanDerWaalsContact C-N 3.28Å; S273-K275 PolarHBondContact O-N 2.92Å
276D35.1Very low47.7Very low134 Ų13492.6 Ų92.672%0.71749%0.487SS*.  trans-130.9119.5172.8-82.1-63000112I278D276-I278 VanDerWaalsContact C-N 3.32Å; D276-I278 PolarHBondContact O-N 2.88Å
277I39.7Very low47.9Very low153 Ų15391.9 Ų91.979%0.78549%0.487SS*.  trans-82.181.6177.8-53.4177.9000109S279I277-S279 PolarHBondContact O-N 3.05Å; I277-S279 VanDerWaalsContact O-N 3.15Å
278I44.6Very low48.2Very low121 Ų12190.4 Ų90.462%0.62148%0.475SS*.  trans-57.9115.3174.5-56.3175.3000108.9P267 D276P267-I278 HydrophobicContact CG-CG2 4.47Å; D276-I278 VanDerWaalsContact C-N 3.32Å; D276-I278 PolarHBondContact O-N 2.88Å
279S43.3Very low48.6Very low62 Ų6292.5 Ų92.543%0.43448%0.477SS..PPolyproline II helixtrans-76.3127.9175.245.90000111.2I277 R343I277-S279 PolarHBondContact O-N 3.05Å; I277-S279 VanDerWaalsContact O-N 3.15Å; S279-R343 PolarHBondContact OG-NH1 3.13Å
280L53.8Low48.5Very low73 Ų7395.2 Ų95.238%0.38249%0.492SS..PPolyproline II helixtrans-59138174.2-59.4163000110.6A22 P24A22-L280 WeakPolarHBondContact O-CD1 3.33Å; P24-L280 HydrophobicContact CB-CD1 3.86Å; P24-L280 HydrophobicContact CB-CD2 4.29Å; P24-L280 HydrophobicContact CG-CD1 4.28Å
281P55.6Low48.6Very low16 Ų1693.9 Ų93.910%0.10448%0.479CS..PPolyproline II helixtrans-64.1144.7176.324.9-34000112.4A22 F266 Y338A22-P281 HydrophobicContact CB-CG 4.25Å; A22-P281 PolarHBondContact N-O 2.97Å; F266-P281 HydrophobicContact CD1-CB 4.39Å; F266-P281 HydrophobicContact CD1-CG 3.26Å; F266-P281 HydrophobicContact CE1-CB 4.08Å; F266-P281 HydrophobicContact CE1-CG 3.33Å; F266-P281 HydrophobicContact CG-CG 4.17Å; F266-P281 HydrophobicContact CZ-CG 4.28Å; P281-Y338 HydrophobicContact CB-CE2 3.78Å
282T55.1Low48.6Very low45 Ų4590.4 Ų90.428%0.27647%0.468SS..EExtended strand (participates in β ladder)trans-129.2130.7-175.3620000111.6E21E21-T282 HydrophobicContact CB-CG2 4.29Å; E21-T282 HydrophobicContact CG-CG2 3.86Å
283V63.5Low49Very low4 Ų485.6 Ų85.62%0.02445%0.449CS..EExtended strand (participates in β ladder)trans-101.9143175.9-179.20000109.3M20 V245 F336 Y338M20-V283 HydrophobicContact CB-CB 4.44Å; M20-V283 HydrophobicContact CE-CB 4.06Å; M20-V283 HydrophobicContact CE-CG1 4.28Å; M20-V283 HydrophobicContact CE-CG2 4.3Å; M20-V283 PolarHBondContact N-O 3.17Å; M20-V283 PolarHBondContact O-N 2.82Å; V245-V283 HydrophobicContact CG2-CG2 4.16Å; V283-F336 HydrophobicContact CG1-CB 3.78Å; V283-Y338 HydrophobicContact CG2-CD2 4.41Å
284K63.9Low49.3Very low104 Ų10489.3 Ų89.345%0.45245%0.447SS..EExtended strand (participates in β ladder)trans-82.5132.6177.8-171.2-175.6-178.9-172.20110.3K286 F336K284-K286 HydrophobicContact CD-CB 4.47Å; K284-K286 PolarHBondContact O-N 2.86Å; K284-K286 VanDerWaalsContact O-N 3.13Å; K284-F336 WeakPolarHBondContact O-CD1 3.24Å
285W63.2Low49.2Very low16 Ų1681.4 Ų81.46%0.06141%0.413CS..SBendtrans-81.926.9-179.6-167.3-98000113.9I3 W13 E18 M20 L247 A322I3-W285 HydrophobicContact CD1-CH2 3.68Å; I3-W285 HydrophobicContact CD1-CZ3 3.61Å; W13-W285 AromaticContact CD1-CD2 3.4Å; W13-W285 AromaticContact CD1-CE2 3.93Å; W13-W285 AromaticContact CD1-CE3 3.59Å; W13-W285 AromaticContact CD1-CG 3.63Å; W13-W285 HydrophobicContact CG-CD2 4.34Å; W13-W285 HydrophobicContact CG-CE3 4.38Å; W13-W285 AromaticContact NE1-CD1 3.33Å; W13-W285 VanDerWaalsContact NE1-CD1 3.33Å; W13-W285 AromaticContact NE1-CD2 3.38Å; W13-W285 AromaticContact NE1-CE2 3.65Å; W13-W285 AromaticContact NE1-CG 3.22Å; W13-W285 AromaticContact NE1-NE1 3.59Å; E18-W285 WeakPolarHBondContact O-CB 3.46Å; E18-W285 PolarHBondContact O-N 2.85Å; M20-W285 HydrophobicContact CB-CE3 4.31Å; M20-W285 HydrophobicContact SD-CE3 4.34Å; M20-W285 HydrophobicContact SD-CZ3 4.02Å; L247-W285 HydrophobicContact CD2-CH2 3.38Å; L247-W285 HydrophobicContact CD2-CZ2 4.1Å; L247-W285 HydrophobicContact CD2-CZ3 3.89Å; W285-A322 HydrophobicContact CH2-CB 4.06Å; W285-A322 HydrophobicContact CZ2-CB 3.42Å; W285-A322 VanDerWaalsContact CZ2-CB 3.42Å
286K58.9Low49.1Very low54 Ų5476.6 Ų76.624%0.23540%0.401CS..SBendtrans-110.5119.8170.1-62.7-139.2-179.2-1600109.2E18 K284 D305E18-K286 WeakPolarHBondContact OE1-CE 3.46Å; E18-K286 IonicContact OE1-NZ 3.49Å; E18-K286 PolarHBondContact OE1-NZ 2.82Å; E18-K286 WeakPolarHBondContact OE2-CE 3.45Å; E18-K286 IonicContact OE2-NZ 3.49Å; K284-K286 HydrophobicContact CD-CB 4.47Å; K284-K286 PolarHBondContact O-N 2.86Å; K284-K286 VanDerWaalsContact O-N 3.13Å; K286-D305 IonicContact NZ-OD1 3.53Å; K286-D305 PolarHBondContact NZ-OD1 3.07Å; K286-D305 IonicContact NZ-OD2 3.69Å
287P57.1Low49.3Very low26 Ų2674.8 Ų74.817%0.16941%0.405CS..  trans-71.8157.8-173.730-35.7000111.9I289 Y334 F336P287-I289 PolarHBondContact O-N 3.23Å; P287-Y334 HydrophobicContact CB-CD1 4.13Å; P287-Y334 HydrophobicContact CB-CG 3.98Å; P287-F336 HydrophobicContact CB-CD1 4.47Å; P287-F336 HydrophobicContact CB-CE1 3.9Å; P287-F336 HydrophobicContact CB-CZ 4Å
288L53.3Low49Very low38 Ų3874.7 Ų74.720%0.19941%0.405CS..  trans-75.4100.3173.5-73.4164.4000110.5Q290 S291 Y335 P337L288-Q290 PolarHBondContact O-N 2.86Å; L288-Q290 VanDerWaalsContact O-N 3.15Å; L288-S291 VanDerWaalsContact O-CB 3.28Å; L288-S291 WeakPolarHBondContact O-CB 3.43Å; L288-S291 PolarHBondContact O-N 3Å; L288-S291 PolarHBondContact O-OG 3.47Å; L288-Y335 PolarHBondContact N-O 3.33Å; L288-P337 HydrophobicContact CD1-CB 4.36Å; L288-P337 HydrophobicContact CD2-CB 4.45Å; L288-P337 HydrophobicContact CD2-CG 4.27Å; L288-P337 HydrophobicContact CG-CG 4.34Å
289I50.1Low48.5Very low138 Ų13871.8 Ų71.871%0.70839%0.393SS*.THydrogen-bonded Turntrans-64.4-16179-56.5174000112.3P287P287-I289 PolarHBondContact O-N 3.23Å
290Q41.9Very low48.2Very low181 Ų18170.7 Ų70.785%0.84639%0.392SS*.THydrogen-bonded Turntrans-90-0.3172.5-70.2178.4-29.600114.1L288L288-Q290 PolarHBondContact O-N 2.86Å; L288-Q290 VanDerWaalsContact O-N 3.15Å
291S44.7Very low47.8Very low20 Ų2071 Ų7114%0.1440%0.4CS..SBendtrans-73.6159.3171.570.50000111L288 S293L288-S291 VanDerWaalsContact O-CB 3.28Å; L288-S291 WeakPolarHBondContact O-CB 3.43Å; L288-S291 PolarHBondContact O-N 3Å; L288-S291 PolarHBondContact O-OG 3.47Å; S291-S293 PolarHBondContact O-N 2.94Å; S291-S293 PolarHBondContact O-OG 2.76Å
292P44.5Very low47.1Very low91 Ų9175.9 Ų75.959%0.59143%0.425SS*.SBendtrans-75.340.6-174.331.7-37000114.3
293S45.5Very low46.5Very low31 Ų3179 Ų7922%0.21744%0.437CS..  trans-66.3139.6166.451.20000110.7S291 T295 D331S291-S293 PolarHBondContact O-N 2.94Å; S291-S293 PolarHBondContact O-OG 2.76Å; S293-T295 VanDerWaalsContact C-N 3.27Å; S293-T295 PolarHBondContact O-N 2.82Å; S293-D331 VanDerWaalsContact CA-OD1 3.25Å; S293-D331 WeakPolarHBondContact CA-OD1 3.41Å; S293-D331 WeakPolarHBondContact CB-OD1 3.44Å
294R42.7Very low45.7Very low175 Ų17581.8 Ų81.866%0.6645%0.448SS*.SBendtrans-70.5-17.9-177.8-71.7177.2168.8-163.92.7114.1D174 P296 Y330 D331D174-R294 IonicContact OD1-NH2 3.66Å; R294-P296 WeakPolarHBondContact O-CD 3.48Å; R294-Y330 VanDerWaalsContact CD-O 3.27Å; R294-Y330 WeakPolarHBondContact CD-O 3.48Å; R294-D331 PolarHBondContact N-OD1 2.8Å; R294-D331 PolarHBondContact N-OD2 2.79Å
295T40Very low44.8Very low40 Ų4080.1 Ų80.125%0.24544%0.444CS..SBendtrans-63.3110.8176.5-62.10000110.8S293 Y328 D331S293-T295 VanDerWaalsContact C-N 3.27Å; S293-T295 PolarHBondContact O-N 2.82Å; T295-Y328 HydrophobicContact CG2-CD1 4.25Å; T295-Y328 HydrophobicContact CG2-CE1 4.07Å; T295-D331 WeakPolarHBondContact CB-OD2 3.46Å; T295-D331 PolarHBondContact N-OD2 2.75Å; T295-D331 PolarHBondContact OG1-OD2 3.38Å
296P34.5Very low43.9Very low86 Ų8684.4 Ų84.456%0.55846%0.463SS*.  trans-70.7148.117931-35.1000110.7R294 L298R294-P296 WeakPolarHBondContact O-CD 3.48Å; P296-L298 HydrophobicContact CB-CD1 4.26Å; P296-L298 HydrophobicContact CB-CG 4.44Å; P296-L298 HydrophobicContact CG-CD1 4.12Å; P296-L298 PolarHBondContact O-N 3.41Å
297A38.6Very low43.3Very low96 Ų9686.1 Ų86.179%0.79348%0.481SS*.SBendtrans-72.164179.700000113
298L34Very low42.7Very low152 Ų15288 Ų8880%0.79649%0.49SS*.  trans-117.3-6.9-178.4-74.1172.4000113.8P296P296-L298 HydrophobicContact CB-CD1 4.26Å; P296-L298 HydrophobicContact CB-CG 4.44Å; P296-L298 HydrophobicContact CG-CD1 4.12Å; P296-L298 PolarHBondContact O-N 3.41Å
299V34.6Very low42.3Very low59 Ų5990.3 Ų90.336%0.35851%0.509SS..SBendtrans-95.2120.9166.2-177.30000107.3E303 F304V299-E303 HydrophobicContact CG1-CB 3.66Å; V299-F304 HydrophobicContact CG1-CB 4.34Å
300G36.5Very low41.9Very low40 Ų4089.4 Ų89.441%0.41251%0.506SS..  trans-63.2153.6176.200000111.6D302 E303 F304G300-D302 PolarHBondContact O-N 3.11Å; G300-D302 VanDerWaalsContact O-N 3.08Å; G300-E303 PolarHBondContact O-N 3Å; G300-F304 PolarHBondContact O-N 3.21Å
301S46.3Very low41.9Very low80 Ų8088 Ų8856%0.55950%0.504SS*.Hα-helixtrans-42.6-46.8173.939.10000112.1E303 F304 D305S301-E303 PolarHBondContact O-N 3.45Å; S301-E303 VanDerWaalsContact O-N 3.12Å; S301-F304 PolarHBondContact O-N 3.33Å; S301-D305 PolarHBondContact O-N 2.85Å
302D41.3Very low41.6Very low117 Ų11795.7 Ų95.763%0.62654%0.535SS*.Hα-helixtrans-69.1-8.6-174.3-58.128.8000113.4G300 K306G300-D302 PolarHBondContact O-N 3.11Å; G300-D302 VanDerWaalsContact O-N 3.08Å; D302-K306 WeakPolarHBondContact O-CD 3.44Å; D302-K306 WeakPolarHBondContact O-CE 3.47Å; D302-K306 VanDerWaalsContact O-CG 3.23Å; D302-K306 WeakPolarHBondContact O-CG 3.42Å; D302-K306 PolarHBondContact O-NZ 3.16Å
303E41Very low41.2Very low112 Ų112101.5 Ų101.552%0.52355%0.546SS..Hα-helixtrans-109.1-34174.6-70.2-177.3149.100111.7V299 G300 S301 K306 C307V299-E303 HydrophobicContact CG1-CB 3.66Å; G300-E303 PolarHBondContact O-N 3Å; S301-E303 PolarHBondContact O-N 3.45Å; S301-E303 VanDerWaalsContact O-N 3.12Å; E303-K306 WeakPolarHBondContact O-CB 3.34Å; E303-K306 PolarHBondContact O-N 3.09Å; E303-C307 PolarHBondContact O-N 3.4Å; E303-C307 VanDerWaalsContact O-N 3.13Å; E303-C307 PolarHBondContact O-SG 3.07Å
304F47Very low40.7Very low61 Ų61105.1 Ų105.127%0.26857%0.571SS.*Hα-helixtrans-65.4-42.2170.3-160.5-89.6000111.6V299 G300 S301 K306 C307 L308 V325V299-F304 HydrophobicContact CG1-CB 4.34Å; G300-F304 PolarHBondContact O-N 3.21Å; S301-F304 PolarHBondContact O-N 3.33Å; F304-K306 VanDerWaalsContact C-N 3.27Å; F304-K306 PolarHBondContact O-N 3.23Å; F304-C307 WeakPolarHBondContact O-CB 3.26Å; F304-C307 PolarHBondContact O-N 2.96Å; F304-C307 VanDerWaalsContact O-N 3.16Å; F304-L308 HydrophobicContact CD1-CD1 4.14Å; F304-L308 HydrophobicContact CE1-CD1 4.17Å; F304-L308 PolarHBondContact O-N 2.84Å; F304-V325 HydrophobicContact CZ-CG1 4.5Å
305D45.9Very low40.4Very low69 Ų69104 Ų10437%0.36957%0.573SS.*Hα-helixtrans-67.1-24.6173.7-83.6-29.6000112.4K286 S301 L308 S309K286-D305 IonicContact NZ-OD1 3.53Å; K286-D305 PolarHBondContact NZ-OD1 3.07Å; K286-D305 IonicContact NZ-OD2 3.69Å; S301-D305 PolarHBondContact O-N 2.85Å; D305-L308 PolarHBondContact O-N 2.79Å; D305-S309 WeakPolarHBondContact O-CB 3.43Å; D305-S309 PolarHBondContact O-N 3.06Å; D305-S309 PolarHBondContact O-OG 3.32Å
306K44.4Very low40.2Very low106 Ų106108.4 Ų108.446%0.46160%0.595SS.*Hα-helixtrans-67.8-42.4169.5-73.3173.6-165.6112.90111.2D302 E303 F304 L308 S309 N310D302-K306 WeakPolarHBondContact O-CD 3.44Å; D302-K306 WeakPolarHBondContact O-CE 3.47Å; D302-K306 VanDerWaalsContact O-CG 3.23Å; D302-K306 WeakPolarHBondContact O-CG 3.42Å; D302-K306 PolarHBondContact O-NZ 3.16Å; E303-K306 WeakPolarHBondContact O-CB 3.34Å; E303-K306 PolarHBondContact O-N 3.09Å; F304-K306 VanDerWaalsContact C-N 3.27Å; F304-K306 PolarHBondContact O-N 3.23Å; K306-L308 PolarHBondContact O-N 3.28Å; K306-S309 PolarHBondContact O-N 3.25Å; K306-S309 VanDerWaalsContact O-N 3.08Å; K306-N310 VanDerWaalsContact O-CB 3.23Å; K306-N310 WeakPolarHBondContact O-CB 3.48Å; K306-N310 PolarHBondContact O-N 2.85Å
307C45.4Very low40.6Very low90 Ų90112.2 Ų112.261%0.60861%0.606SS**Hα-helixtrans-60.7-26.7174.7-66.90000113E303 F304E303-C307 PolarHBondContact O-N 3.4Å; E303-C307 VanDerWaalsContact O-N 3.13Å; E303-C307 PolarHBondContact O-SG 3.07Å; F304-C307 WeakPolarHBondContact O-CB 3.26Å; F304-C307 PolarHBondContact O-N 2.96Å; F304-C307 VanDerWaalsContact O-N 3.16Å
308L43.7Very low40.6Very low67 Ų67115.3 Ų115.335%0.35160%0.598SS.*Hα-helixtrans-84.1-18.3174.9-65.8175000114.4F304 D305 K306 V325F304-L308 HydrophobicContact CD1-CD1 4.14Å; F304-L308 HydrophobicContact CE1-CD1 4.17Å; F304-L308 PolarHBondContact O-N 2.84Å; D305-L308 PolarHBondContact O-N 2.79Å; K306-L308 PolarHBondContact O-N 3.28Å; L308-V325 HydrophobicContact CD2-CG2 3.75Å
309S44.9Very low40.8Very low85 Ų85112.8 Ų112.859%0.59459%0.593SS**Hα-helixtrans-125.414.4-16761.40000115.3D305 K306 D311D305-S309 WeakPolarHBondContact O-CB 3.43Å; D305-S309 PolarHBondContact O-N 3.06Å; D305-S309 PolarHBondContact O-OG 3.32Å; K306-S309 PolarHBondContact O-N 3.25Å; K306-S309 VanDerWaalsContact O-N 3.08Å; S309-D311 VanDerWaalsContact C-N 3.32Å; S309-D311 PolarHBondContact O-N 3.18Å
310N41.8Very low41.1Very low120 Ų120115.8 Ų115.864%0.64261%0.607SS**  trans-77.565.1-159.9-130.2-0.1000116.3K306 K312K306-N310 VanDerWaalsContact O-CB 3.23Å; K306-N310 WeakPolarHBondContact O-CB 3.48Å; K306-N310 PolarHBondContact O-N 2.85Å; N310-K312 PolarHBondContact O-N 3.28Å
311D42.8Very low41.7Very low150 Ų150115.7 Ų115.780%0.80261%0.606SS**  trans-83.284.1171.1-164.823.9000110.6S309S309-D311 VanDerWaalsContact C-N 3.32Å; S309-D311 PolarHBondContact O-N 3.18Å
312K38.7Very low41.7Very low182 Ų182112.1 Ų112.179%0.79158%0.581SS**SBendtrans176.8-26.9149.5-102.1158.4-172.1171.70119.5N310N310-K312 PolarHBondContact O-N 3.28Å
313Y35.3Very low42Very low214 Ų214109.6 Ų109.684%0.83957%0.568SS**SBendtrans-141.681.3-168.1-83.1-77.6000114.9
314S35.5Very low42.4Very low106 Ų106106.7 Ų106.774%0.74156%0.56SS**  trans-166.4154140-163.20000109.9
315H36.5Very low42.5Very low152 Ų152104.4 Ų104.470%0.70455%0.551SS**  trans-85.3139.5177.4-105.7-93.3000111.8E317H315-E317 VanDerWaalsContact C-N 3.28Å; H315-E317 PolarHBondContact O-N 2.87Å
316D36.7Very low42.7Very low132 Ų132101.4 Ų101.471%0.70654%0.535SS*.SBendtrans49.6-21.1147.1-53.4-30.5000123
317E41.1Very low42.8Very low167 Ų167102.1 Ų102.178%0.7854%0.54SS*.SBendtrans-102.3-18.5-173.1-66.7-169.3149.500115.4H315H315-E317 VanDerWaalsContact C-N 3.28Å; H315-E317 PolarHBondContact O-N 2.87Å
318Y39.9Very low42.8Very low160 Ų160102.2 Ų102.263%0.62753%0.528SS*.  trans-114.617.9-172.5-74.1-87.1000115N320Y318-N320 VanDerWaalsContact C-N 3.31Å; Y318-N320 PolarHBondContact O-N 3.05Å
319S38.8Very low42.6Very low100 Ų100104 Ų10470%0.69954%0.543SS*.  trans-83.255.3-175.1-62.30000114.3
320N40.4Very low42.7Very low122 Ų122107.4 Ų107.465%0.65254%0.544SS*.  trans-143.6117.4168.4-89.5-56.7000112.4Y318 L323Y318-N320 VanDerWaalsContact C-N 3.31Å; Y318-N320 PolarHBondContact O-N 3.05Å; N320-L323 HydrophobicContact CB-CD1 4.35Å
321G48.8Very low43.2Very low38 Ų38102.6 Ų102.639%0.39252%0.519SS..THydrogen-bonded Turntrans-71.3161.5-178.600000113.8L323G321-L323 PolarHBondContact O-N 3.4Å
322A45.5Very low43.9Very low4 Ų498.7 Ų98.73%0.03350%0.498CS..THydrogen-bonded Turntrans63.8-38.7-17800000116.1M1 W13 W285 S324 V325M1-A322 HydrophobicContact CE-CB 3.37Å; M1-A322 HydrophobicContact SD-CB 4.33Å; W13-A322 HydrophobicContact CD2-CB 3.97Å; W13-A322 HydrophobicContact CE3-CB 3.81Å; W13-A322 HydrophobicContact CH2-CB 4.18Å; W13-A322 HydrophobicContact CZ2-CB 4.32Å; W13-A322 HydrophobicContact CZ3-CB 3.92Å; W285-A322 HydrophobicContact CH2-CB 4.06Å; W285-A322 HydrophobicContact CZ2-CB 3.42Å; W285-A322 VanDerWaalsContact CZ2-CB 3.42Å; A322-S324 VanDerWaalsContact C-N 3.31Å; A322-S324 PolarHBondContact O-N 2.98Å; A322-V325 PolarHBondContact O-N 3.35Å
323L47.1Very low45.2Very low64 Ų6490.3 Ų90.334%0.33546%0.463SS..Hα-helixtrans-64-34174.2-71166.3000112.5L254 N320 G321 V325 L326 Q327L254-L323 HydrophobicContact CD1-CD2 3.82Å; L254-L323 HydrophobicContact CD2-CD2 4.24Å; L254-L323 HydrophobicContact CG-CD2 3.94Å; N320-L323 HydrophobicContact CB-CD1 4.35Å; G321-L323 PolarHBondContact O-N 3.4Å; L323-V325 PolarHBondContact O-N 3.44Å; L323-V325 VanDerWaalsContact O-N 3.15Å; L323-L326 CarbonylContact O-C 3.53Å; L323-L326 PolarHBondContact O-N 3.46Å; L323-Q327 PolarHBondContact O-N 3.49Å; L323-Q327 VanDerWaalsContact O-N 3.1Å
324S49.9Very low46.8Very low51 Ų5180.7 Ų80.736%0.35743%0.425SS..Hα-helixtrans-58.4-26.5178.456.80000114.3A322A322-S324 VanDerWaalsContact C-N 3.31Å; A322-S324 PolarHBondContact O-N 2.98Å
325V50.2Low48.3Very low14 Ų1476.6 Ų76.69%0.08539%0.393CS..Hα-helixtrans-72.3-33.4177.4-178.10000111.1F304 L308 A322 L323 Y334F304-V325 HydrophobicContact CZ-CG1 4.5Å; L308-V325 HydrophobicContact CD2-CG2 3.75Å; A322-V325 PolarHBondContact O-N 3.35Å; L323-V325 PolarHBondContact O-N 3.44Å; L323-V325 VanDerWaalsContact O-N 3.15Å; V325-Y334 HydrophobicContact CG1-CD2 4.18Å; V325-Y334 HydrophobicContact CG1-CE2 3.77Å; V325-Y334 WeakPolarHBondContact O-CE2 3.32Å; V325-Y334 PolarHBondContact O-OH 3.12Å
326L50Low49.7Very low5 Ų569.5 Ų69.53%0.02636%0.361CS..Hα-helixtrans-99.45.3-179-75.6162.3000113.5L247 M249 L254 L323 Y328 Y334L247-L326 HydrophobicContact CD2-CD1 3.65Å; L247-L326 HydrophobicContact CG-CD1 3.89Å; M249-L326 HydrophobicContact CE-CB 4.39Å; M249-L326 VanDerWaalsContact CE-O 3.24Å; M249-L326 WeakPolarHBondContact CE-O 3.33Å; L254-L326 HydrophobicContact CD2-CD1 3.36Å; L323-L326 CarbonylContact O-C 3.53Å; L323-L326 PolarHBondContact O-N 3.46Å; L326-Y328 PolarHBondContact O-N 2.84Å; L326-Y334 HydrophobicContact CD2-CD2 3.58Å; L326-Y334 HydrophobicContact CD2-CE2 3.55Å; L326-Y334 HydrophobicContact CG-CD2 4.16Å; L326-Y334 HydrophobicContact CG-CE2 4.04Å
327Q45.3Very low50.9Low121 Ų12164.7 Ų64.757%0.56534%0.336SS*.  trans-84.44.2172.8-153.4171.57.400112.3L323L323-Q327 PolarHBondContact O-N 3.49Å; L323-Q327 VanDerWaalsContact O-N 3.1Å
328Y45.1Very low51.8Low93 Ų9359.7 Ų59.737%0.36531%0.311SS..  trans-70.9122.2174.8-121.1-100.8000110.2T295 L326 Y330T295-Y328 HydrophobicContact CG2-CD1 4.25Å; T295-Y328 HydrophobicContact CG2-CE1 4.07Å; L326-Y328 PolarHBondContact O-N 2.84Å; Y328-Y330 PolarHBondContact O-N 2.89Å
329P40.8Very low52.4Low104 Ų10454.3 Ų54.368%0.67530%0.296SS*.THydrogen-bonded Turntrans-76.318.5-161.830.8-37.7000115.7
330Y45.6Very low52.8Low156 Ų15656.9 Ų56.961%0.61230%0.295SS*.THydrogen-bonded Turntrans-131.4-9.8-173.1-60.7-60.6000115.1R294 Y328R294-Y330 VanDerWaalsContact CD-O 3.27Å; R294-Y330 WeakPolarHBondContact CD-O 3.48Å; Y328-Y330 PolarHBondContact O-N 2.89Å
331D53.9Low53Low19 Ų1957.4 Ų57.410%0.10230%0.298CS..  trans-128.2135.6-173.8-82.7-55.1000112.8S293 R294 T295S293-D331 VanDerWaalsContact CA-OD1 3.25Å; S293-D331 WeakPolarHBondContact CA-OD1 3.41Å; S293-D331 WeakPolarHBondContact CB-OD1 3.44Å; R294-D331 PolarHBondContact N-OD1 2.8Å; R294-D331 PolarHBondContact N-OD2 2.79Å; T295-D331 WeakPolarHBondContact CB-OD2 3.46Å; T295-D331 PolarHBondContact N-OD2 2.75Å; T295-D331 PolarHBondContact OG1-OD2 3.38Å
332N57Low52.6Low69 Ų6965 Ų6537%0.36932%0.316SS..SBendtrans-88.7-7-177.3-70-22.4000113.9P173 Y246 G248 M249P173-N332 WeakPolarHBondContact O-CB 3.26Å; P173-N332 PolarHBondContact O-ND2 2.83Å; Y246-N332 PolarHBondContact OH-O 3.25Å; G248-N332 WeakPolarHBondContact CA-O 3.29Å; M249-N332 PolarHBondContact N-O 3.04Å; M249-N332 VanDerWaalsContact N-O 3.16Å
333G66.2Low52.4Low5 Ų570.9 Ų70.95%0.05234%0.338CS..EExtended strand (participates in β ladder)trans167.3175.3-175.500000113.7Y246 L247Y246-G333 WeakPolarHBondContact OH-CA 3.42Å; Y246-G333 PolarHBondContact OH-N 3.4Å; L247-G333 CarbonylContact O-C 3.59Å; L247-G333 WeakPolarHBondContact O-CA 3.45Å
334Y68.1Low51.9Low13 Ų1375.1 Ų75.15%0.05136%0.356CS..EExtended strand (participates in β ladder)trans-137.3150.6179.1-58.4-77.8000112.2L247 P287 V325 L326L247-Y334 PolarHBondContact N-O 3.45Å; L247-Y334 PolarHBondContact O-N 3.06Å; P287-Y334 HydrophobicContact CB-CD1 4.13Å; P287-Y334 HydrophobicContact CB-CG 3.98Å; V325-Y334 HydrophobicContact CG1-CD2 4.18Å; V325-Y334 HydrophobicContact CG1-CE2 3.77Å; V325-Y334 WeakPolarHBondContact O-CE2 3.32Å; V325-Y334 PolarHBondContact O-OH 3.12Å; L326-Y334 HydrophobicContact CD2-CD2 3.58Å; L326-Y334 HydrophobicContact CD2-CE2 3.55Å; L326-Y334 HydrophobicContact CG-CD2 4.16Å; L326-Y334 HydrophobicContact CG-CE2 4.04Å
335Y67.4Low51.4Low19 Ų1981.5 Ų81.58%0.07538%0.377CS..EExtended strand (participates in β ladder)trans-90.5139.2171.9-67.4-90.1000111.5F215 Y246 L288F215-Y335 HydrophobicContact CD1-CE1 4.12Å; F215-Y335 HydrophobicContact CE1-CD1 4.46Å; F215-Y335 AromaticContact CE1-CE1 3.97Å; F215-Y335 HydrophobicContact CE1-CE1 3.97Å; Y246-Y335 HydrophobicContact CD2-CD1 4.07Å; Y246-Y335 HydrophobicContact CD2-CD2 4.01Å; Y246-Y335 AromaticContact CD2-CE1 3.88Å; Y246-Y335 HydrophobicContact CD2-CE1 3.88Å; Y246-Y335 AromaticContact CD2-CE2 3.8Å; Y246-Y335 HydrophobicContact CD2-CE2 3.8Å; Y246-Y335 HydrophobicContact CD2-CG 4.15Å; Y246-Y335 AromaticContact CD2-CZ 3.74Å; Y246-Y335 HydrophobicContact CE2-CE2 4.14Å; Y246-Y335 HydrophobicContact CG-CE1 4.37Å; L288-Y335 PolarHBondContact N-O 3.33Å
336F66.6Low50.9Low4 Ų490.3 Ų90.32%0.01841%0.409CS..EExtended strand (participates in β ladder)trans-123.2135.9179.9-68.7-86.5000111.8S244 V245 L247 V283 K284 P287S244-F336 PolarHBondContact N-O 2.93Å; V245-F336 PolarHBondContact O-N 2.86Å; L247-F336 HydrophobicContact CB-CD2 4.06Å; L247-F336 HydrophobicContact CB-CE2 3.71Å; L247-F336 HydrophobicContact CD2-CE2 3.83Å; L247-F336 HydrophobicContact CD2-CZ 4.28Å; L247-F336 HydrophobicContact CG-CE2 4.45Å; V283-F336 HydrophobicContact CG1-CB 3.78Å; K284-F336 WeakPolarHBondContact O-CD1 3.24Å; P287-F336 HydrophobicContact CB-CD1 4.47Å; P287-F336 HydrophobicContact CB-CE1 3.9Å; P287-F336 HydrophobicContact CB-CZ 4Å
337P61.7Low50Low30 Ų3096.1 Ų96.120%0.19544%0.436CS..EExtended strand (participates in β ladder)trans-85.5144-177.833.5-31.2000111.6L288L288-P337 HydrophobicContact CD1-CB 4.36Å; L288-P337 HydrophobicContact CD2-CB 4.45Å; L288-P337 HydrophobicContact CD2-CG 4.27Å; L288-P337 HydrophobicContact CG-CG 4.34Å
338Y59.1Low49.5Very low63 Ų6394.8 Ų94.825%0.24744%0.44CS..BIsolated β-bridgetrans-88.3126.8170.3179.7-109.1000110.6S244 I262 P281 V283 K340S244-Y338 VanDerWaalsContact OG-CB 3.32Å; S244-Y338 WeakPolarHBondContact OG-CB 3.36Å; I262-Y338 HydrophobicContact CD1-CD1 3.67Å; I262-Y338 HydrophobicContact CD1-CD2 4.16Å; I262-Y338 HydrophobicContact CD1-CE1 4.09Å; I262-Y338 HydrophobicContact CD1-CG 3.69Å; P281-Y338 HydrophobicContact CB-CE2 3.78Å; V283-Y338 HydrophobicContact CG2-CD2 4.41Å; Y338-K340 HydrophobicContact CD1-CG 4.42Å; Y338-K340 HydrophobicContact CE1-CG 3.81Å
339S53.3Low49Very low46 Ų4694.1 Ų94.132%0.32245%0.453SS..  trans-117.6111.2-177.465.20000112.1N341S339-N341 VanDerWaalsContact C-N 3.29Å; S339-N341 PolarHBondContact O-N 3.15Å
340K47Very low48.7Very low154 Ų15496.6 Ų96.667%0.6746%0.459SS*.  trans-67.3-26178.6-73.7178.8176.5174.60113.7Y338 Y342Y338-K340 HydrophobicContact CD1-CG 4.42Å; Y338-K340 HydrophobicContact CE1-CG 3.81Å; K340-Y342 PolarHBondContact O-N 3.15Å
341N43.6Very low47.9Very low134 Ų13493.7 Ų93.772%0.71746%0.462SS*.THydrogen-bonded Turntrans-91.324.3-154.4-5813.5000115.4S339S339-N341 VanDerWaalsContact C-N 3.29Å; S339-N341 PolarHBondContact O-N 3.15Å
342Y41.5Very low46.7Very low197 Ų197100.3 Ų100.377%0.77350%0.496SS*.THydrogen-bonded Turntrans-92.6-8.5-172.4-134.9-93000115.8K340K340-Y342 PolarHBondContact O-N 3.15Å
343R41.7Very low45.6Very low128 Ų128104.6 Ų104.648%0.48352%0.517SS..SBendtrans-97.3-38-172.5-145.1178.9-170.7-163.7-0.8115.3S279 K345 R346S279-R343 PolarHBondContact OG-NH1 3.13Å; R343-K345 PolarHBondContact O-N 3.31Å; R343-R346 PolarHBondContact O-N 3.01Å; R343-R346 VanDerWaalsContact O-N 3.07Å
344E36.9Very low43.8Very low152 Ų152114.1 Ų114.171%0.7156%0.558SS**Hα-helixtrans-52.9-35.7-175.3-62.6-178.1144.300113.4R346 E347 S348E344-R346 PolarHBondContact O-N 3.18Å; E344-E347 PolarHBondContact O-N 3.38Å; E344-S348 PolarHBondContact O-N 2.82Å; E344-S348 PolarHBondContact O-OG 3.1Å
345K39.3Very low41.9Very low185 Ų185123.6 Ų123.680%0.80459%0.593SS**Hα-helixtrans-66.7-4.2-178.7-117177.3-174.8172.30115.7R343R343-K345 PolarHBondContact O-N 3.31Å
346R38.6Very low40Very low199 Ų199130.4 Ų130.475%0.75163%0.631SS**Hα-helixtrans-107.8-31.8174.1-85.5-172.7168.3-173.9-3.4114R343 E344 S348 A349R343-R346 PolarHBondContact O-N 3.01Å; R343-R346 VanDerWaalsContact O-N 3.07Å; E344-R346 PolarHBondContact O-N 3.18Å; R346-S348 VanDerWaalsContact C-N 3.34Å; R346-A349 PolarHBondContact O-N 2.86Å
347E31.9Very low38.2Very low128 Ų128138.4 Ų138.460%0.59867%0.668SS**Hα-helixtrans-71.8-33.6178-71.7168-162.200110.9E344 A349 I350E344-E347 PolarHBondContact O-N 3.38Å; E347-A349 PolarHBondContact O-N 3.22Å; E347-I350 PolarHBondContact O-N 2.99Å
348S34.7Very low36.7Very low93 Ų93142.2 Ų142.265%0.6570%0.702SS**THydrogen-bonded Turntrans-66.3-3.6171.2690000115.1E344 R346E344-S348 PolarHBondContact O-N 2.82Å; E344-S348 PolarHBondContact O-OG 3.1Å; R346-S348 VanDerWaalsContact C-N 3.34Å
349A34.1Very low35.3Very low78 Ų78142.8 Ų142.865%0.64573%0.728SS**THydrogen-bonded Turntrans-109.7-10-177.200000114.2R346 E347R346-A349 PolarHBondContact O-N 2.86Å; E347-A349 PolarHBondContact O-N 3.22Å
350I33.9Very low34.2Very low157 Ų157146.4 Ų146.481%0.80575%0.753SS**SBendtrans-127.552.5-179.6-41.9-177.1000110.6E347E347-I350 PolarHBondContact O-N 2.99Å
351S29.1Very low33.4Very low95 Ų95144 Ų14466%0.66475%0.748SS**SBendtrans-129.8121.5159.849.70000109.3I353S351-I353 PolarHBondContact O-N 3.3Å
352L28.5Very low32.8Very low158 Ų158145.7 Ų145.783%0.82776%0.756SS**  trans-74.7119.6-178.1-115.283.3000110.7K354L352-K354 PolarHBondContact O-N 2.93Å
353I33.8Very low32.3Very low158 Ų158144.8 Ų144.881%0.8175%0.752SS**  29.485.6120-49.1175.4000113.6S351S351-I353 PolarHBondContact O-N 3.3Å
354K28Very low31.7Very low206 Ų206150.9 Ų150.990%0.89677%0.774SS**  trans-118.9111.2156-154170.1-173.1177.10108.8L352L352-K354 PolarHBondContact O-N 2.93Å
355R28.8Very low31.4Very low211 Ų211152.2 Ų152.280%0.79677%0.773SS**  trans-56.9133.4-174171.7-171.8-73.8143.9-6.5112
356N27.6Very low31.1Very low162 Ų162153.3 Ų153.387%0.86678%0.778SS**  trans-150.8167.6139.4-100.4-10.9000109.1
357E29.3Very low30.9Very low173 Ų173149 Ų14981%0.80877%0.769SS**  trans-107.7168.6-152.4-58.9-177.3129.700116
358A30.1Very low31.4Very low109 Ų109148.8 Ų148.890%0.90178%0.78SS**  trans88.7133.616200000119.4
359G29.8Very low31.8Very low76 Ų76149.8 Ų149.878%0.78478%0.781SS**  trans129.286.9154.900000118.5
360S29.5Very low32.5Very low122 Ų122152 Ų15285%0.85378%0.782SS**  trans57.2130151.6-161.20000122.2
361D31.3Very low33.4Very low104 Ų104151.7 Ų151.756%0.55678%0.781SS**  trans-46.9148.5160.3-93.4-79.1000115R363D361-R363 WeakPolarHBondContact OD1-CD 3.37Å; D361-R363 WeakPolarHBondContact OD1-CG 3.35Å
362N30.4Very low34.8Very low168 Ų168153.6 Ų153.690%0.89878%0.783SS**  -153.7121.3112.9-112-50.5000113.4
363R30.2Very low36.3Very low179 Ų179149.9 Ų149.968%0.67577%0.768SS**  trans-97.6133.9-174.6-70.5145.650.8-170.2-5.6112.3D361D361-R363 WeakPolarHBondContact OD1-CD 3.37Å; D361-R363 WeakPolarHBondContact OD1-CG 3.35Å
364R30.1Very low37Very low255 Ų255149.6 Ų149.696%0.96276%0.757SS**  trans-135.4125.9142.7-71.6-164.4174.7-173.9-0.3110.4
365R30.6Very low38.6Very low180 Ų180146.2 Ų146.268%0.67974%0.739SS**  trans-86.1151.6-178.7-67.5175.5176169.5-2.2111.6D367R365-D367 WeakPolarHBondContact CD-OD1 3.43Å
366K33.5Very low40.4Very low208 Ų208143 Ų14390%0.90473%0.731SS**  trans-133.5127.6131.3-69.4-171.5179178.90106.9
367D34Very low42.5Very low108 Ų108141.2 Ų141.258%0.57872%0.717SS**  trans-91.7135.5-168.1-59.9-53.5000111.8R365R365-D367 WeakPolarHBondContact CD-OD1 3.43Å
368P42.7Very low44.6Very low125 Ų125137.5 Ų137.581%0.81270%0.702SS**  trans-90.2122.8176.433.1-31.9000112.5
369V43.5Very low46.8Very low113 Ų113136.9 Ų136.969%0.68568%0.683SS**  trans-150.4135.2175.8-1220000106.7
370L46.8Very low49.1Very low126 Ų126135.1 Ų135.166%0.6667%0.665SS**  cis-140.4129.215.7-72.6147.3000111.8P373L370-P373 HydrophobicContact CD2-CG 4.25Å
371L53.8Low51.4Low150 Ų150133.3 Ų133.379%0.78565%0.649SS**SBendtrans-128.41.3148.7-77178.5000113W374L371-W374 PolarHBondContact O-N 2.86Å
372L59.1Low53.7Low134 Ų134132.5 Ų132.570%0.70264%0.643SS**THydrogen-bonded Turntrans-67.8-9178.5-77.5161.3000117.4
373P58.7Low56.1Low80 Ų80128.8 Ų128.852%0.51963%0.626SS.*THydrogen-bonded Turntrans-75.4-38.7168.3-19.232.9000113.6L370L370-P373 HydrophobicContact CD2-CG 4.25Å
374W49.3Very low58.7Low152 Ų152127.4 Ų127.458%0.57663%0.626SS**THydrogen-bonded Turntrans-92.1-10.3-161.7-69.882000115.1L371 K376 E377 I378L371-W374 PolarHBondContact O-N 2.86Å; W374-K376 PolarHBondContact O-N 3.24Å; W374-E377 WeakPolarHBondContact CZ3-OE2 3.28Å; W374-E377 PolarHBondContact O-N 2.86Å; W374-I378 HydrophobicContact CB-CD1 4.31Å; W374-I378 PolarHBondContact O-N 3.29Å
375W61.6Low61.1Low135 Ų135118.9 Ų118.951%0.51160%0.604SS.*Hα-helixtrans-57.7-27.2-17572.4-87.3000114L379W375-L379 HydrophobicContact CZ3-CD2 4.28Å; W375-L379 VanDerWaalsContact O-CB 3.25Å; W375-L379 WeakPolarHBondContact O-CB 3.19Å; W375-L379 PolarHBondContact O-N 3.27Å
376K66Low63.6Low144 Ų144115 Ų11563%0.62660%0.596SS**Hα-helixtrans-70.7-35.4175.9-67.4-173.8176.4-178.80112.8W374 G380W374-K376 PolarHBondContact O-N 3.24Å; K376-G380 PolarHBondContact O-N 2.53Å
377E72.1Confident65.8Low125 Ų125107.5 Ų107.558%0.58457%0.573SS**Hα-helixtrans-75.7-38.7175-64-169.6-174.700111.1W374 G380 T381W374-E377 WeakPolarHBondContact CZ3-OE2 3.28Å; W374-E377 PolarHBondContact O-N 2.86Å; E377-G380 PolarHBondContact O-N 3.32Å; E377-T381 WeakPolarHBondContact O-CG2 3.5Å; E377-T381 PolarHBondContact O-N 2.82Å; E377-T381 PolarHBondContact O-OG1 2.96Å
378I74.1Confident68.2Low95 Ų95104.3 Ų104.349%0.48756%0.561SS.*Hα-helixtrans-62.8-43.4174.1-62.1167.8000110.8W374 G380 T381 I382W374-I378 HydrophobicContact CB-CD1 4.31Å; W374-I378 PolarHBondContact O-N 3.29Å; I378-G380 VanDerWaalsContact C-N 3.34Å; I378-T381 PolarHBondContact O-OG1 3.34Å; I378-T381 VanDerWaalsContact O-OG1 3.06Å; I378-I382 HydrophobicContact CG2-CD1 4.01Å; I378-I382 WeakPolarHBondContact O-CD1 3.43Å; I378-I382 VanDerWaalsContact O-CG1 3.25Å; I378-I382 WeakPolarHBondContact O-CG1 3.36Å; I378-I382 PolarHBondContact O-N 3.16Å; I378-I382 VanDerWaalsContact O-N 3.08Å
379L76.4Confident69.8Low96 Ų96102.4 Ų102.450%0.50355%0.547SS..Hα-helixtrans-66.9-38.1174.5-166.270.5000111.3W375 I382 V383W375-L379 HydrophobicContact CZ3-CD2 4.28Å; W375-L379 VanDerWaalsContact O-CB 3.25Å; W375-L379 WeakPolarHBondContact O-CB 3.19Å; W375-L379 PolarHBondContact O-N 3.27Å; L379-I382 PolarHBondContact O-N 2.67Å; L379-V383 WeakPolarHBondContact O-CB 3.39Å; L379-V383 VanDerWaalsContact O-CG2 3.31Å; L379-V383 WeakPolarHBondContact O-CG2 3.4Å; L379-V383 PolarHBondContact O-N 2.75Å
380G77.4Confident71.4Confident39 Ų39100.5 Ų100.540%0.40254%0.536SS..Hα-helixtrans-62.1-44.4175.700000113.4K376 E377 I378 V383 F384K376-G380 PolarHBondContact O-N 2.53Å; E377-G380 PolarHBondContact O-N 3.32Å; I378-G380 VanDerWaalsContact C-N 3.34Å; G380-V383 PolarHBondContact O-N 3.33Å; G380-F384 VanDerWaalsContact O-CB 3.32Å; G380-F384 WeakPolarHBondContact O-CB 3.37Å; G380-F384 PolarHBondContact O-N 2.72Å
381T77.4Confident72.9Confident84 Ų84101.3 Ų101.352%0.51553%0.531SS..Hα-helixtrans-69.4-39.517752.40000111.9E377 I378 F384 C385E377-T381 WeakPolarHBondContact O-CG2 3.5Å; E377-T381 PolarHBondContact O-N 2.82Å; E377-T381 PolarHBondContact O-OG1 2.96Å; I378-T381 PolarHBondContact O-OG1 3.34Å; I378-T381 VanDerWaalsContact O-OG1 3.06Å; T381-F384 PolarHBondContact O-N 3.02Å; T381-C385 WeakPolarHBondContact O-CB 3.25Å; T381-C385 PolarHBondContact O-N 3.48Å; T381-C385 PolarHBondContact O-SG 3.24Å
382I80.3Confident73.9Confident87 Ų8797.9 Ų97.945%0.44652%0.516SS..Hα-helixtrans-59.5-48.4173.3-69.8166.4000110.9I378 L379 F384 C385 I386I378-I382 HydrophobicContact CG2-CD1 4.01Å; I378-I382 WeakPolarHBondContact O-CD1 3.43Å; I378-I382 VanDerWaalsContact O-CG1 3.25Å; I378-I382 WeakPolarHBondContact O-CG1 3.36Å; I378-I382 PolarHBondContact O-N 3.16Å; I378-I382 VanDerWaalsContact O-N 3.08Å; L379-I382 PolarHBondContact O-N 2.67Å; I382-F384 VanDerWaalsContact C-N 3.34Å; I382-F384 PolarHBondContact O-N 3.42Å; I382-C385 PolarHBondContact O-N 3.2Å; I382-I386 HydrophobicContact CG2-CD1 3.91Å; I382-I386 WeakPolarHBondContact O-CG1 3.44Å; I382-I386 PolarHBondContact O-N 2.87Å
383V81.2Confident74.6Confident89 Ų8995.4 Ų95.454%0.53951%0.507SS..Hα-helixtrans-63.5-39.11771710000111.5L379 G380 I386 A387L379-V383 WeakPolarHBondContact O-CB 3.39Å; L379-V383 VanDerWaalsContact O-CG2 3.31Å; L379-V383 WeakPolarHBondContact O-CG2 3.4Å; L379-V383 PolarHBondContact O-N 2.75Å; G380-V383 PolarHBondContact O-N 3.33Å; V383-I386 PolarHBondContact O-N 3.41Å; V383-A387 WeakPolarHBondContact O-CB 3.3Å; V383-A387 PolarHBondContact O-N 3.24Å
384F84.9Confident74.8Confident151 Ų151100.8 Ų100.866%0.66252%0.517SS*.Hα-helixtrans-64.4-42.4175.3-177.6-97.9000112.2G380 T381 I382 A387 A388G380-F384 VanDerWaalsContact O-CB 3.32Å; G380-F384 WeakPolarHBondContact O-CB 3.37Å; G380-F384 PolarHBondContact O-N 2.72Å; T381-F384 PolarHBondContact O-N 3.02Å; I382-F384 VanDerWaalsContact C-N 3.34Å; I382-F384 PolarHBondContact O-N 3.42Å; F384-A387 PolarHBondContact O-N 2.68Å; F384-A388 VanDerWaalsContact O-CB 3.27Å; F384-A388 WeakPolarHBondContact O-CB 3.33Å; F384-A388 PolarHBondContact O-N 2.75Å
385C79.2Confident75.3Confident75 Ų75101.9 Ų101.951%0.50752%0.521SS..Hα-helixtrans-63.4-40.8175.6-72.10000112.2T381 I382 T389T381-C385 WeakPolarHBondContact O-CB 3.25Å; T381-C385 PolarHBondContact O-N 3.48Å; T381-C385 PolarHBondContact O-SG 3.24Å; I382-C385 PolarHBondContact O-N 3.2Å; C385-T389 WeakPolarHBondContact O-CB 3.44Å; C385-T389 WeakPolarHBondContact O-CG2 3.4Å; C385-T389 PolarHBondContact O-N 2.72Å; C385-T389 PolarHBondContact O-OG1 3.31Å
386I83.9Confident75.2Confident99 Ų99103.2 Ų103.251%0.50853%0.53SS..Hα-helixtrans-65.5-41.8174.2-65.6165.6000110.9I382 V383 T389 T390I382-I386 HydrophobicContact CG2-CD1 3.91Å; I382-I386 WeakPolarHBondContact O-CG1 3.44Å; I382-I386 PolarHBondContact O-N 2.87Å; V383-I386 PolarHBondContact O-N 3.41Å; I386-T389 WeakPolarHBondContact CA-OG1 3.21Å; I386-T389 PolarHBondContact O-OG1 3.48Å; I386-T389 VanDerWaalsContact O-OG1 3.13Å; I386-T390 WeakPolarHBondContact O-CB 3.42Å; I386-T390 WeakPolarHBondContact O-CG2 3.46Å; I386-T390 PolarHBondContact O-N 2.83Å; I386-T390 PolarHBondContact O-OG1 2.99Å
387A79.7Confident74.8Confident51 Ų51103.6 Ų103.642%0.42153%0.532SS..Hα-helixtrans-66.1-42.1176.300000112.5V383 F384 T390 Y391V383-A387 WeakPolarHBondContact O-CB 3.3Å; V383-A387 PolarHBondContact O-N 3.24Å; F384-A387 PolarHBondContact O-N 2.68Å; A387-T390 PolarHBondContact O-OG1 3.39Å; A387-Y391 WeakPolarHBondContact O-CB 3.28Å; A387-Y391 PolarHBondContact O-N 3.44Å
388A83.3Confident73.6Confident40 Ų40104.7 Ų104.733%0.33154%0.537SS..Hα-helixtrans-66.8-47.2178.700000111.8F384 Y391 V392F384-A388 VanDerWaalsContact O-CB 3.27Å; F384-A388 WeakPolarHBondContact O-CB 3.33Å; F384-A388 PolarHBondContact O-N 2.75Å; A388-Y391 PolarHBondContact O-N 2.97Å; A388-V392 WeakPolarHBondContact O-CG2 3.35Å; A388-V392 PolarHBondContact O-N 2.7Å
389T77.9Confident72.5Confident85 Ų85105.3 Ų105.352%0.52155%0.547SS..Hα-helixtrans-63-45.917748.20000111.9C385 I386 Y391 V392 V393C385-T389 WeakPolarHBondContact O-CB 3.44Å; C385-T389 WeakPolarHBondContact O-CG2 3.4Å; C385-T389 PolarHBondContact O-N 2.72Å; C385-T389 PolarHBondContact O-OG1 3.31Å; I386-T389 WeakPolarHBondContact CA-OG1 3.21Å; I386-T389 PolarHBondContact O-OG1 3.48Å; I386-T389 VanDerWaalsContact O-OG1 3.13Å; T389-Y391 VanDerWaalsContact C-N 3.33Å; T389-Y391 PolarHBondContact O-N 3.04Å; T389-V392 PolarHBondContact O-N 3.21Å; T389-V393 WeakPolarHBondContact O-CG2 3.39Å; T389-V393 PolarHBondContact O-N 3.42Å
390T77.1Confident70.8Confident74 Ų74106.8 Ų106.845%0.45456%0.562SS.*Hα-helixtrans-66.9-31.4176.654.40000113.1I386 A387 R394I386-T390 WeakPolarHBondContact O-CB 3.42Å; I386-T390 WeakPolarHBondContact O-CG2 3.46Å; I386-T390 PolarHBondContact O-N 2.83Å; I386-T390 PolarHBondContact O-OG1 2.99Å; A387-T390 PolarHBondContact O-OG1 3.39Å; T390-R394 WeakPolarHBondContact O-CB 3.39Å; T390-R394 WeakPolarHBondContact O-CG 3.27Å; T390-R394 PolarHBondContact O-N 3.15Å
391Y77.4Confident69.1Low142 Ų142109.8 Ų109.856%0.55758%0.583SS**Hα-helixtrans-67.9-44.5171.9179.6-99.9000112.2A387 A388 T389 R394 R395A387-Y391 WeakPolarHBondContact O-CB 3.28Å; A387-Y391 PolarHBondContact O-N 3.44Å; A388-Y391 PolarHBondContact O-N 2.97Å; T389-Y391 VanDerWaalsContact C-N 3.33Å; T389-Y391 PolarHBondContact O-N 3.04Å; Y391-R394 PolarHBondContact O-N 2.79Å; Y391-R395 VanDerWaalsContact O-CB 3.25Å; Y391-R395 WeakPolarHBondContact O-CB 2.98Å; Y391-R395 PolarHBondContact O-N 2.82Å
392V75.1Confident67.5Low78 Ų78111.3 Ų111.347%0.47360%0.595SS.*Hα-helixtrans-60.5-49.2175.41690000110.6A388 T389 R394 R395 F396A388-V392 WeakPolarHBondContact O-CG2 3.35Å; A388-V392 PolarHBondContact O-N 2.7Å; T389-V392 PolarHBondContact O-N 3.21Å; V392-R394 PolarHBondContact O-N 2.75Å; V392-R395 PolarHBondContact O-N 2.9Å; V392-F396 HydrophobicContact CG1-CD2 3.94Å; V392-F396 HydrophobicContact CG1-CE2 4.27Å; V392-F396 WeakPolarHBondContact O-CD2 3.41Å; V392-F396 PolarHBondContact O-N 2.67Å
393V74Confident65.3Low82 Ų82113.6 Ų113.650%0.49761%0.613SS.*Hα-helixtrans-59.7-48.7177.5171.60000111.2T389 R395 F396 F397T389-V393 WeakPolarHBondContact O-CG2 3.39Å; T389-V393 PolarHBondContact O-N 3.42Å; V393-R395 VanDerWaalsContact C-N 3.28Å; V393-R395 PolarHBondContact O-N 2.94Å; V393-F396 PolarHBondContact O-N 3.33Å; V393-F397 HydrophobicContact CG1-CD2 4.06Å; V393-F397 WeakPolarHBondContact O-CD2 3.34Å; V393-F397 PolarHBondContact O-N 3.14Å; V393-F397 VanDerWaalsContact O-N 3.08Å
394R63.4Low62.8Low194 Ų194113.1 Ų113.173%0.73262%0.618SS**Hα-helixtrans-61.5-33.8177.1-79.9-178.3168.1-179.7-2.5113.4T390 Y391 V392 H398T390-R394 WeakPolarHBondContact O-CB 3.39Å; T390-R394 WeakPolarHBondContact O-CG 3.27Å; T390-R394 PolarHBondContact O-N 3.15Å; Y391-R394 PolarHBondContact O-N 2.79Å; V392-R394 PolarHBondContact O-N 2.75Å; R394-H398 PolarHBondContact O-N 3.41Å
395R59.3Low60.2Low175 Ų175117 Ų11766%0.6663%0.63SS**Hα-helixtrans-79.9-29.2-178.5-171.2171178.388.65.6113.6Y391 V392 V393Y391-R395 VanDerWaalsContact O-CB 3.25Å; Y391-R395 WeakPolarHBondContact O-CB 2.98Å; Y391-R395 PolarHBondContact O-N 2.82Å; V392-R395 PolarHBondContact O-N 2.9Å; V393-R395 VanDerWaalsContact C-N 3.28Å; V393-R395 PolarHBondContact O-N 2.94Å
396F60.1Low57.9Low162 Ų162119 Ų11971%0.71164%0.639SS**Hα-helixtrans-84.7-35.8176.7-89.4-84.8000113.6V392 V393V392-F396 HydrophobicContact CG1-CD2 3.94Å; V392-F396 HydrophobicContact CG1-CE2 4.27Å; V392-F396 WeakPolarHBondContact O-CD2 3.41Å; V392-F396 PolarHBondContact O-N 2.67Å; V393-F396 PolarHBondContact O-N 3.33Å
397F56.8Low55.3Low153 Ų153125.5 Ų125.567%0.67166%0.658SS**Hα-helixtrans-94.2-10.6-173.2-71.3-80.2000115.4V393V393-F397 HydrophobicContact CG1-CD2 4.06Å; V393-F397 WeakPolarHBondContact O-CD2 3.34Å; V393-F397 PolarHBondContact O-N 3.14Å; V393-F397 VanDerWaalsContact O-N 3.08Å
398H47.2Very low52.8Low148 Ų148130 Ų13069%0.68567%0.67SS**  trans-136.485.4178.4-63.2-42.2000114.3R394R394-H398 PolarHBondContact O-N 3.41Å
399P50.4Low50.2Low108 Ų108138.1 Ų138.170%0.70169%0.692SS**PPolyproline II helixtrans-69.7135.8160.5-12.328.6000110.7
400P40.3Very low47.9Very low126 Ų126141.4 Ų141.482%0.81870%0.699SS**PPolyproline II helixtrans-76.1126174.530.2-33.2000111.2
401A42.2Very low46Very low102 Ų102146.2 Ų146.284%0.84372%0.717SS**PPolyproline II helixtrans-94.2138.2-177.300000113.7
402P44Very low43.9Very low117 Ų117143.3 Ų143.376%0.7672%0.717SS**  trans-130.2156.1148.337.8-27000112.4
403V33.4Very low41.9Very low134 Ų134148.6 Ų148.681%0.81274%0.737SS**  cis-161.8140.2-151300000107.3
404A30.2Very low39.8Very low79 Ų79151.7 Ų151.765%0.65376%0.756SS**  trans63.3161.4170.300000117
405Y30.5Very low38.1Very low232 Ų232150.8 Ų150.891%0.9176%0.76SS**  cis-124.8-179.110.1-108.1-85.9000113.5
406V30.1Very low36.5Very low117 Ų117148 Ų14871%0.70977%0.766SS**  trans-125133.7-156.4173.30000115.6
407R28.1Very low35.1Very low237 Ų237148.3 Ų148.389%0.89477%0.769SS**  trans-171.7114.2134.8-102.3168.6-174.3-172.11.4108.3
408Q28Very low33.8Very low144 Ų144147.2 Ų147.267%0.67378%0.776SS**  50.2130.582.7-79.2-162.719.300113.4
409R29Very low32.9Very low212 Ų212147.2 Ų147.280%0.878%0.781SS**  cis-166.5148.622.2-150.7168.3171.6118.4-8109.7
410K30.2Very low31.9Very low153 Ų153147.3 Ų147.367%0.66578%0.784SS**  cis-171.8134.9-20.1170.8-93-178-150.50108.1S412K410-S412 PolarHBondContact NZ-OG 3.15Å
411E35.8Very low31.3Very low176 Ų176150.4 Ų150.482%0.82278%0.784SS**  trans-101.2171.9175.4-66.3175.2119.800113.1
412S34.5Very low30.7Very low81 Ų81154.1 Ų154.157%0.56678%0.782SS**  trans-168.6116155.342.40000108.4K410K410-S412 PolarHBondContact NZ-OG 3.15Å
413E31.8Very low29.8Very low189 Ų189155 Ų15588%0.88378%0.78SS**  74.7124.664.1-70.2-175.9127.500113.6
414T30.1Very low30Very low146 Ų146155.7 Ų155.790%0.89678%0.778SS**  trans-104.8145.4169.443.60000109.9
415Q27.7Very low29.8Very low176 Ų176161.3 Ų161.382%0.82279%0.791SS**  trans-148.8176.5175.2-167.7167.17.500109.4
416C27.2Very low30Very low116 Ų116155.9 Ų155.978%0.78478%0.782SS**  trans94.4123.2-177.8-61.40000112.5
417Q28.8Very low30Very low168 Ų168157.2 Ų157.279%0.78579%0.79SS**  cis56.9118.616.2-93.1-172.811.300113.1
418T31.3Very low30.1Very low131 Ų131154.4 Ų154.480%0.80479%0.787SS**  cis-151.1-175.231.753.20000113.4
419D28.3Very low30.1Very low148 Ų148153.1 Ų153.179%0.79179%0.794SS**  trans-58.2158.5179.1-103.7-55.9000119.1
420S29.3Very low30.1Very low109 Ų109152.5 Ų152.576%0.76280%0.797SS**  trans69.3123.8146.5720000121.4
421K27.1Very low30.1Very low191 Ų191153.5 Ų153.583%0.8380%0.804SS**  164.915698.4-170.1173.9173.8-169.30112.3
422F29.2Very low30.2Very low180 Ų180150.8 Ų150.879%0.78980%0.802SS**  trans-45.2148.6163.1-82.6-115.2000112.3
423D26.2Very low30.3Very low136 Ų136152.5 Ų152.573%0.72781%0.808SS**  -157.4-175.763-105.4-51.6000114.8
424L37.2Very low30.1Very low148 Ų148147.7 Ų147.778%0.77580%0.801SS**  trans-73.1152.1179.5-63.178.9000113.7
425E26.4Very low30.6Very low198 Ų198146.9 Ų146.993%0.92580%0.796SS**  -161.8172.7119.9-118.3175.1-159.900113.2
426V33.7Very low30.8Very low118 Ų118147.3 Ų147.372%0.71580%0.798SS**  trans-114132.4-164.1174.70000112.5
427V29.6Very low31Very low145 Ų145147.9 Ų147.988%0.87979%0.793SS**  trans-141.9128.9154.6-176.30000109.6
428E32Very low31.4Very low177 Ų177151.7 Ų151.783%0.82780%0.8SS**  trans-89.7148.4174.7-60.8175.3100.400112.6
429S27.2Very low31.7Very low117 Ų117153.6 Ų153.682%0.81880%0.797SS**  trans-154.484.8151.366.70000113.7
430K28.1Very low32.5Very low199 Ų199151.2 Ų151.287%0.86579%0.792SS**  trans31.7114.2149.1-63.9179.2177.1177.90120.1
431E31.4Very low34.2Very low174 Ų174154.7 Ų154.781%0.81380%0.797SS**  22.3148.6113.4-85.4-170.4-168.800121
432P37.4Very low36.8Very low120 Ų120148.2 Ų148.278%0.77977%0.767SS**  cis-132.8167.936.141-25.7000118.3
433V36.4Very low39.4Very low116 Ų116144.5 Ų144.570%0.70376%0.759SS**  trans-59.3133.9172.2175.50000112.1V435V433-V435 HydrophobicContact CG1-CG2 4.12Å
434A28.3Very low42.4Very low88 Ų88138.2 Ų138.273%0.72773%0.726SS**  trans-103.8132.3153.300000108.6E436A434-E436 PolarHBondContact O-N 3.18Å
435V40.3Very low45Very low130 Ų130136.3 Ų136.379%0.78871%0.709SS**  trans-88100.2179.4178.90000108.5V433V433-V435 HydrophobicContact CG1-CG2 4.12Å
436E31.6Very low48.1Very low184 Ų184127.3 Ų127.386%0.8667%0.666SS**  trans-76.9135.1169.3-73.3-160.6136.100111.2A434A434-E436 PolarHBondContact O-N 3.18Å
437N31.9Very low50.8Low129 Ų129124.9 Ų124.969%0.6965%0.649SS**  trans-60.4141-168.5-95.8-29.9000113F439N437-F439 HydrophobicContact CB-CD2 4.13Å; N437-F439 HydrophobicContact CB-CE2 4.16Å; N437-F439 PolarHBondContact O-N 2.71Å
438R36.7Very low53.7Low248 Ų248121.3 Ų121.394%0.93663%0.627SS**  trans-65.887.6150.3-72.2-179.4173.2-175.7-3.8109
439F38.1Very low56.5Low170 Ų170114.9 Ų114.975%0.74660%0.599SS**  trans-63.3133.2150.7-77.4-85.8000107.8N437 E441N437-F439 HydrophobicContact CB-CD2 4.13Å; N437-F439 HydrophobicContact CB-CE2 4.16Å; N437-F439 PolarHBondContact O-N 2.71Å; F439-E441 PolarHBondContact O-N 3.43Å
440S44.5Very low59.7Low98 Ų98109.5 Ų109.569%0.68556%0.56SS**  trans-61.9120.2166.252.60000108.5Y442S440-Y442 VanDerWaalsContact C-N 3.31Å; S440-Y442 PolarHBondContact O-N 3.31Å
441E64.8Low62.7Low182 Ų182103.4 Ų103.485%0.8554%0.535SS*.  trans-68.684.6-178.2-67.2178.5117.200111F439 V443F439-E441 PolarHBondContact O-N 3.43Å; E441-V443 HydrophobicContact CB-CG2 4.46Å; E441-V443 PolarHBondContact O-N 3.16Å
442Y81.3Confident65.4Low55 Ų5596.8 Ų96.822%0.21651%0.507CS..  trans-71.198.4163.4177-100.7000108.7S440 S444 E517 P519 P520 W523S440-Y442 VanDerWaalsContact C-N 3.31Å; S440-Y442 PolarHBondContact O-N 3.31Å; Y442-S444 PolarHBondContact O-N 2.98Å; Y442-E517 WeakPolarHBondContact OH-CB 3.46Å; Y442-E517 WeakPolarHBondContact OH-CG 3.49Å; Y442-E517 PolarHBondContact OH-OE2 2.91Å; Y442-P519 HydrophobicContact CD1-CB 4.2Å; Y442-P519 HydrophobicContact CE1-CB 3.71Å; Y442-P520 HydrophobicContact CD2-CG 4.47Å; Y442-P520 VanDerWaalsContact CG-CD 3.45Å; Y442-P520 HydrophobicContact CG-CG 4.21Å; Y442-W523 AromaticContact CD1-CD2 3.8Å; Y442-W523 HydrophobicContact CD1-CD2 3.8Å; Y442-W523 AromaticContact CD1-CE2 3.66Å; Y442-W523 HydrophobicContact CD1-CE3 4.03Å; Y442-W523 HydrophobicContact CD1-CG 4.41Å; Y442-W523 HydrophobicContact CD1-CH2 4.08Å; Y442-W523 AromaticContact CD1-CZ2 3.82Å; Y442-W523 HydrophobicContact CD1-CZ2 3.82Å; Y442-W523 HydrophobicContact CD1-CZ3 4.17Å; Y442-W523 HydrophobicContact CE1-CD2 4.27Å; Y442-W523 HydrophobicContact CE1-CE3 4.01Å; Y442-W523 AromaticContact CE1-CH2 3.98Å; Y442-W523 HydrophobicContact CE1-CH2 3.98Å; Y442-W523 HydrophobicContact CE1-CZ2 4.2Å; Y442-W523 AromaticContact CE1-CZ3 3.87Å; Y442-W523 HydrophobicContact CE1-CZ3 3.87Å
443V84Confident67.8Low102 Ų10295.6 Ų95.662%0.61849%0.492SS*.  trans-81.593.8176.2-178.20000108.8E441 R445 T448E441-V443 HydrophobicContact CB-CG2 4.46Å; E441-V443 PolarHBondContact O-N 3.16Å; V443-R445 PolarHBondContact O-N 2.92Å; V443-T448 WeakPolarHBondContact CG1-OG1 3.34Å
444S89.4Confident70.2Confident4 Ų493.2 Ų93.23%0.02847%0.474CS..  trans-62126.6171173.90000110.1Y442 Y446 L447 T448 E517 W523Y442-S444 PolarHBondContact O-N 2.98Å; S444-Y446 VanDerWaalsContact C-N 3.34Å; S444-Y446 PolarHBondContact OG-N 2.94Å; S444-L447 PolarHBondContact O-N 2.86Å; S444-L447 PolarHBondContact OG-N 3.42Å; S444-T448 WeakPolarHBondContact O-CB 3.48Å; S444-T448 PolarHBondContact O-N 2.71Å; S444-T448 PolarHBondContact O-OG1 2.86Å; S444-E517 WeakPolarHBondContact CA-OE2 3.5Å; S444-E517 VanDerWaalsContact CB-OE2 3.29Å; S444-E517 WeakPolarHBondContact CB-OE2 3.44Å; S444-E517 PolarHBondContact OG-OE2 2.9Å; S444-W523 VanDerWaalsContact CB-CH2 3.5Å
445R92.3Very high73Confident109 Ų10991.8 Ų91.841%0.41146%0.457SS..Hα-helixtrans-63-43.3175.9-177.6-179.5176.3-172.8-2.1110.7V443 L447 T448 D449 E517V443-R445 PolarHBondContact O-N 2.92Å; R445-L447 PolarHBondContact O-N 2.91Å; R445-T448 PolarHBondContact O-N 2.84Å; R445-T448 VanDerWaalsContact O-N 3.09Å; R445-D449 IonicContact CZ-OD2 3.33Å; R445-D449 IonicContact NE-OD2 3.47Å; R445-D449 PolarHBondContact NE-OD2 2.83Å; R445-D449 IonicContact NH2-OD2 4Å; R445-D449 PolarHBondContact NH2-OD2 2.85Å; R445-D449 WeakPolarHBondContact O-CB 3.31Å; R445-D449 PolarHBondContact O-N 3.02Å; R445-E517 PolarHBondContact N-OE1 2.9Å; R445-E517 PolarHBondContact N-OE2 3Å
446Y91.8Very high75Confident9 Ų988.7 Ų88.74%0.03544%0.436CS..Hα-helixtrans-54-48.9176.5176.4-111.5000112.4S444 T448 F450 P452 F465 A467 I478 W515 E517 Y724S444-Y446 VanDerWaalsContact C-N 3.34Å; S444-Y446 PolarHBondContact OG-N 2.94Å; Y446-T448 VanDerWaalsContact C-N 3.31Å; Y446-T448 PolarHBondContact O-N 3.24Å; Y446-F450 HydrophobicContact CD2-CD2 4.3Å; Y446-F450 WeakPolarHBondContact O-CB 3.31Å; Y446-F450 PolarHBondContact O-N 2.87Å; Y446-P452 HydrophobicContact CE1-CB 4.35Å; Y446-F465 VanDerWaalsContact OH-CB 3.22Å; Y446-F465 WeakPolarHBondContact OH-CB 3.48Å; Y446-F465 VanDerWaalsContact OH-CG 3.26Å; Y446-F465 WeakPolarHBondContact OH-CG 3.21Å; Y446-A467 HydrophobicContact CE2-CB 4.05Å; Y446-I478 HydrophobicContact CD2-CD1 4.39Å; Y446-I478 HydrophobicContact CD2-CG2 4.22Å; Y446-I478 HydrophobicContact CE2-CB 4.27Å; Y446-I478 HydrophobicContact CE2-CD1 4.07Å; Y446-I478 HydrophobicContact CE2-CG2 4Å; Y446-W515 HydrophobicContact CD2-CZ2 4.34Å; Y446-E517 WeakPolarHBondContact CB-OE1 3.48Å; Y446-E517 PolarHBondContact N-OE1 2.88Å; Y446-Y724 AromaticContact CD1-CE1 3.92Å; Y446-Y724 HydrophobicContact CD1-CE1 3.92Å; Y446-Y724 AromaticContact CD2-CD1 3.92Å; Y446-Y724 HydrophobicContact CD2-CD1 3.92Å; Y446-Y724 AromaticContact CD2-CE1 3.68Å; Y446-Y724 HydrophobicContact CD2-CE1 3.68Å; Y446-Y724 HydrophobicContact CE2-CE1 4.3Å; Y446-Y724 HydrophobicContact CG-CD1 4.1Å; Y446-Y724 AromaticContact CG-CE1 3.46Å; Y446-Y724 HydrophobicContact CG-CE1 3.46Å; Y446-Y724 VanDerWaalsContact CG-CE1 3.46Å
447L89Confident77Confident67 Ų6781.4 Ų81.435%0.35141%0.41SS..Hα-helixtrans-74.5-18.9178.3-59.4-176.4000113.8S444 R445 P452 K470 W523S444-L447 PolarHBondContact O-N 2.86Å; S444-L447 PolarHBondContact OG-N 3.42Å; R445-L447 PolarHBondContact O-N 2.91Å; L447-P452 HydrophobicContact CD2-CG 4.48Å; L447-K470 PolarHBondContact O-NZ 3.05Å; L447-W523 HydrophobicContact CD1-CH2 3.67Å; L447-W523 HydrophobicContact CD1-CZ2 4.01Å; L447-W523 HydrophobicContact CG-CH2 4.49Å
448T91Very high78.9Confident70 Ų7082.8 Ų82.843%0.42941%0.412SS..Hα-helixtrans-80.6-55.7176.2-57.80000110.8V443 S444 R445 Y446 K470V443-T448 WeakPolarHBondContact CG1-OG1 3.34Å; S444-T448 WeakPolarHBondContact O-CB 3.48Å; S444-T448 PolarHBondContact O-N 2.71Å; S444-T448 PolarHBondContact O-OG1 2.86Å; R445-T448 PolarHBondContact O-N 2.84Å; R445-T448 VanDerWaalsContact O-N 3.09Å; Y446-T448 VanDerWaalsContact C-N 3.31Å; Y446-T448 PolarHBondContact O-N 3.24Å; T448-K470 WeakPolarHBondContact O-CD 3.33Å; T448-K470 WeakPolarHBondContact O-CE 3.41Å; T448-K470 PolarHBondContact O-NZ 3Å
449D91.6Very high80.2Confident42 Ų4273.2 Ų73.223%0.22539%0.391CS..Hα-helixtrans-76-28.9-174.6-70.38.3000112.7R445 N469 K470R445-D449 IonicContact CZ-OD2 3.33Å; R445-D449 IonicContact NE-OD2 3.47Å; R445-D449 PolarHBondContact NE-OD2 2.83Å; R445-D449 IonicContact NH2-OD2 4Å; R445-D449 PolarHBondContact NH2-OD2 2.85Å; R445-D449 WeakPolarHBondContact O-CB 3.31Å; R445-D449 PolarHBondContact O-N 3.02Å; D449-N469 PolarHBondContact O-ND2 3.06Å; D449-K470 PolarHBondContact O-N 3.07Å
450F94.1Very high81.1Confident3 Ų368.7 Ų68.71%0.01339%0.392CS..EExtended strand (participates in β ladder)trans-126.6152.1-171.7-54.3-95.9000113.5Y446 A467 R468 N469 K470 Y476 I478 W515Y446-F450 HydrophobicContact CD2-CD2 4.3Å; Y446-F450 WeakPolarHBondContact O-CB 3.31Å; Y446-F450 PolarHBondContact O-N 2.87Å; F450-A467 HydrophobicContact CB-CB 4Å; F450-A467 HydrophobicContact CD1-CB 4.43Å; F450-A467 HydrophobicContact CG-CB 4.49Å; F450-R468 CarbonylContact C-O 3.55Å; F450-R468 VanDerWaalsContact CA-O 3.27Å; F450-R468 WeakPolarHBondContact CA-O 3.5Å; F450-N469 HydrophobicContact CD1-CB 3.7Å; F450-N469 HydrophobicContact CE1-CB 3.63Å; F450-N469 VanDerWaalsContact CE1-ND2 3.33Å; F450-N469 WeakPolarHBondContact CE1-ND2 3.41Å; F450-N469 WeakPolarHBondContact CZ-ND2 3.34Å; F450-K470 VanDerWaalsContact O-CE 3.25Å; F450-K470 WeakPolarHBondContact O-CE 3.43Å; F450-Y476 HydrophobicContact CE1-CD2 4.09Å; F450-I478 HydrophobicContact CD1-CD1 3.53Å; F450-I478 HydrophobicContact CD2-CD1 4.07Å; F450-I478 HydrophobicContact CE1-CD1 3.49Å; F450-I478 VanDerWaalsContact CE1-CD1 3.49Å; F450-I478 HydrophobicContact CE2-CD1 4.05Å; F450-I478 HydrophobicContact CG-CD1 3.85Å; F450-I478 HydrophobicContact CZ-CD1 3.77Å; F450-W515 HydrophobicContact CD2-CH2 4.28Å; F450-W515 AromaticContact CE2-CH2 3.5Å; F450-W515 HydrophobicContact CE2-CH2 3.5Å; F450-W515 VanDerWaalsContact CE2-CH2 3.5Å; F450-W515 HydrophobicContact CE2-CZ2 4.06Å; F450-W515 HydrophobicContact CE2-CZ3 4.25Å; F450-W515 HydrophobicContact CZ-CH2 4.04Å; F450-W515 HydrophobicContact CZ-CZ3 4.5Å
451E91Very high81.6Confident71 Ų7166.7 Ų66.733%0.33237%0.371SS..EExtended strand (participates in β ladder)trans-99.3112.9163.1-70.3172-178.800107.9M453 A467 R468 K470E451-M453 PolarHBondContact O-N 3.38Å; E451-A467 CarbonylContact O-C 3.54Å; E451-A467 VanDerWaalsContact O-CA 3.25Å; E451-A467 WeakPolarHBondContact O-CA 3.36Å; E451-R468 HydrophobicContact CB-CB 4.49Å; E451-R468 PolarHBondContact N-O 2.67Å; E451-R468 PolarHBondContact O-N 3.08Å; E451-R468 IonicContact OE2-CZ 3.39Å; E451-R468 IonicContact OE2-NE 2.7Å; E451-R468 PolarHBondContact OE2-NE 3.08Å; E451-R468 IonicContact OE2-NH2 2.75Å; E451-R468 PolarHBondContact OE2-NH2 2.78Å; E451-K470 HydrophobicContact CG-CD 4.13Å; E451-K470 VanDerWaalsContact CG-CE 3.47Å; E451-K470 HydrophobicContact CG-CG 3.83Å
452P88.9Confident82.1Confident35 Ų3559 Ų5923%0.22734%0.341CS..EExtended strand (participates in β ladder)trans-64.5131.5172.527.8-34.2000109.7Y446 L447 W531Y446-P452 HydrophobicContact CE1-CB 4.35Å; L447-P452 HydrophobicContact CD2-CG 4.48Å; P452-W531 HydrophobicContact CB-CE3 4.37Å; P452-W531 HydrophobicContact CB-CH2 3.63Å; P452-W531 HydrophobicContact CB-CZ2 4.22Å; P452-W531 HydrophobicContact CB-CZ3 3.71Å; P452-W531 HydrophobicContact CG-CE3 4.17Å; P452-W531 HydrophobicContact CG-CH2 3.95Å; P452-W531 HydrophobicContact CG-CZ3 3.52Å; P452-W531 WeakPolarHBondContact O-CH2 3.45Å
453M87.9Confident82.3Confident95 Ų9557.9 Ų57.947%0.46834%0.34SS..EExtended strand (participates in β ladder)trans-105.1-51.6-176.8-63.7-69.7-70.600111.6E451 E466 R468E451-M453 PolarHBondContact O-N 3.38Å; M453-E466 HydrophobicContact CB-CB 4.47Å; M453-E466 HydrophobicContact CB-CG 4.37Å; M453-E466 WeakPolarHBondContact CB-O 3.42Å; M453-E466 PolarHBondContact N-O 3.37Å; M453-R468 HydrophobicContact CG-CB 4.15Å; M453-R468 HydrophobicContact SD-CB 4.31Å
454Q85.7Confident82.5Confident67 Ų6754.6 Ų54.631%0.31332%0.32SS..EExtended strand (participates in β ladder)trans-159.6155.9179.755.5-167.9-23.800111.7L456 F465 E466 K732Q454-L456 HydrophobicContact CG-CD2 4.44Å; Q454-F465 CarbonylContact O-C 3.59Å; Q454-F465 WeakPolarHBondContact O-CA 3.32Å; Q454-E466 HydrophobicContact CG-CB 3.84Å; Q454-E466 PolarHBondContact N-O 2.76Å; Q454-E466 PolarHBondContact NE2-OE2 2.98Å; Q454-E466 PolarHBondContact O-N 2.94Å; Q454-K732 VanDerWaalsContact CD-NZ 3.32Å
455C86.3Confident82.5Confident57 Ų5755 Ų5539%0.38532%0.321SS..EExtended strand (participates in β ladder)trans-77.8126.7167.4-172.20000109.3
456L82.8Confident82.6Confident66 Ų6650.8 Ų50.835%0.34631%0.306SS..EExtended strand (participates in β ladder)trans-90.9-23.3174.7-66175.7000112.1Q454 V464 E466 A477 L729Q454-L456 HydrophobicContact CG-CD2 4.44Å; L456-V464 HydrophobicContact CB-CB 4.38Å; L456-V464 HydrophobicContact CB-CG1 4.19Å; L456-V464 HydrophobicContact CD1-CG1 4.25Å; L456-V464 PolarHBondContact N-O 3.2Å; L456-E466 HydrophobicContact CD1-CB 3.94Å; L456-E466 HydrophobicContact CD2-CB 4.13Å; L456-E466 HydrophobicContact CG-CB 3.94Å; L456-A477 HydrophobicContact CD1-CB 4.24Å; L456-L729 HydrophobicContact CD1-CD1 3.81Å
457G74.3Confident82.7Confident30 Ų3050.3 Ų50.331%0.30930%0.304SS..EExtended strand (participates in β ladder)trans171.9161.1174.400000114V464G457-V464 PolarHBondContact N-O 3Å; G457-V464 PolarHBondContact O-N 3.45Å
458H72Confident82.9Confident158 Ų15850.9 Ų50.973%0.73130%0.302SS*.EExtended strand (participates in β ladder)trans-134.2142.1178.157.157.6000111.1V463H458-V463 HydrophobicContact CB-CG2 4.34Å
459G62.8Low83Confident48 Ų4848.2 Ų48.250%0.49529%0.285SS..EExtended strand (participates in β ladder)trans-168.9-173.1178.800000113.8F461 G462G459-F461 PolarHBondContact O-N 2.72Å; G459-F461 VanDerWaalsContact O-N 3.11Å; G459-G462 PolarHBondContact N-O 2.82Å; G459-G462 PolarHBondContact O-N 3.45Å; G459-G462 VanDerWaalsContact O-O 3.1Å
460G57Low82.9Confident74 Ų7451 Ų5176%0.76330%0.295SS*.THydrogen-bonded Turntrans-60.3-22-178.700000114.6
461F56.7Low82.7Confident56 Ų5655.2 Ų55.225%0.24632%0.32CS..THydrogen-bonded Turntrans-91.512.6175.2-56.8-68.9000114G459 K479 I481 G796 L797 H822G459-F461 PolarHBondContact O-N 2.72Å; G459-F461 VanDerWaalsContact O-N 3.11Å; F461-K479 WeakPolarHBondContact O-CE 3.16Å; F461-I481 WeakPolarHBondContact O-CG1 3.45Å; F461-G796 WeakPolarHBondContact CE1-O 3.48Å; F461-L797 HydrophobicContact CE1-CD2 4.12Å; F461-L797 HydrophobicContact CE1-CG 4.36Å; F461-L797 HydrophobicContact CZ-CD1 4.43Å; F461-L797 HydrophobicContact CZ-CD2 4.08Å; F461-L797 HydrophobicContact CZ-CG 3.97Å; F461-H822 AromaticContact CE2-CE1 3.93Å; F461-H822 AromaticContact CZ-CE1 3.63Å; F461-H822 AromaticContact CZ-NE2 3.94Å
462G75.2Confident82.6Confident21 Ų2153.8 Ų53.822%0.21632%0.315CS..EExtended strand (participates in β ladder)trans107.7-161.2179.900000114.5G459 R480G459-G462 PolarHBondContact N-O 2.82Å; G459-G462 PolarHBondContact O-N 3.45Å; G459-G462 VanDerWaalsContact O-O 3.1Å; G462-R480 VanDerWaalsContact CA-O 3.28Å; G462-R480 WeakPolarHBondContact CA-O 3.26Å
463V84.3Confident82.6Confident32 Ų3257.1 Ų57.119%0.19433%0.331CS..EExtended strand (participates in β ladder)trans-116.6138.8-177.8-173.80000109.4H458 F465 K479 R480H458-V463 HydrophobicContact CB-CG2 4.34Å; V463-F465 HydrophobicContact CB-CE2 4.02Å; V463-F465 HydrophobicContact CB-CZ 4Å; V463-F465 HydrophobicContact CG1-CD1 4.36Å; V463-F465 HydrophobicContact CG1-CD2 4.41Å; V463-F465 HydrophobicContact CG1-CE1 3.78Å; V463-F465 HydrophobicContact CG1-CE2 3.83Å; V463-F465 HydrophobicContact CG1-CZ 3.48Å; V463-F465 VanDerWaalsContact CG1-CZ 3.48Å; V463-K479 CarbonylContact O-C 3.57Å; V463-K479 WeakPolarHBondContact O-CA 3.49Å; V463-R480 PolarHBondContact N-O 3.34Å; V463-R480 PolarHBondContact O-N 2.93Å
464V88.3Confident82.6Confident33 Ų3354.6 Ų54.620%0.232%0.322CS..EExtended strand (participates in β ladder)trans-111.2125.3175.6-171.60000109.1L456 G457 A477 I478 K479L456-V464 HydrophobicContact CB-CB 4.38Å; L456-V464 HydrophobicContact CB-CG1 4.19Å; L456-V464 HydrophobicContact CD1-CG1 4.25Å; L456-V464 PolarHBondContact N-O 3.2Å; G457-V464 PolarHBondContact N-O 3Å; G457-V464 PolarHBondContact O-N 3.45Å; V464-A477 HydrophobicContact CG1-CB 4.41Å; V464-I478 WeakPolarHBondContact CA-O 3.44Å; V464-K479 HydrophobicContact CG2-CB 4.1Å; V464-K479 HydrophobicContact CG2-CD 4.32Å; V464-K479 HydrophobicContact CG2-CG 3.96Å
465F89.9Confident82.9Confident12 Ų1254 Ų545%0.05332%0.321CS..EExtended strand (participates in β ladder)trans-109147.3176-54.3-84000110.3Y446 Q454 V463 A477 I478 R480Y446-F465 VanDerWaalsContact OH-CB 3.22Å; Y446-F465 WeakPolarHBondContact OH-CB 3.48Å; Y446-F465 VanDerWaalsContact OH-CG 3.26Å; Y446-F465 WeakPolarHBondContact OH-CG 3.21Å; Q454-F465 CarbonylContact O-C 3.59Å; Q454-F465 WeakPolarHBondContact O-CA 3.32Å; V463-F465 HydrophobicContact CB-CE2 4.02Å; V463-F465 HydrophobicContact CB-CZ 4Å; V463-F465 HydrophobicContact CG1-CD1 4.36Å; V463-F465 HydrophobicContact CG1-CD2 4.41Å; V463-F465 HydrophobicContact CG1-CE1 3.78Å; V463-F465 HydrophobicContact CG1-CE2 3.83Å; V463-F465 HydrophobicContact CG1-CZ 3.48Å; V463-F465 VanDerWaalsContact CG1-CZ 3.48Å; F465-A477 CarbonylContact O-C 3.56Å; F465-A477 WeakPolarHBondContact O-CA 3.12Å; F465-I478 PolarHBondContact N-O 3.07Å; F465-I478 PolarHBondContact O-N 3.19Å; F465-R480 HydrophobicContact CE2-CB 4.03Å
466E93.5Very high83.4Confident20 Ų2052.1 Ų52.19%0.09331%0.306CS..EExtended strand (participates in β ladder)trans-84.6126.7151.2-173.7176.4162.700107.3M453 Q454 L456 N475 Y476 L729M453-E466 HydrophobicContact CB-CB 4.47Å; M453-E466 HydrophobicContact CB-CG 4.37Å; M453-E466 WeakPolarHBondContact CB-O 3.42Å; M453-E466 PolarHBondContact N-O 3.37Å; Q454-E466 HydrophobicContact CG-CB 3.84Å; Q454-E466 PolarHBondContact N-O 2.76Å; Q454-E466 PolarHBondContact NE2-OE2 2.98Å; Q454-E466 PolarHBondContact O-N 2.94Å; L456-E466 HydrophobicContact CD1-CB 3.94Å; L456-E466 HydrophobicContact CD2-CB 4.13Å; L456-E466 HydrophobicContact CG-CB 3.94Å; E466-N475 HydrophobicContact CG-CB 4.18Å; E466-N475 PolarHBondContact OE1-ND2 3.49Å; E466-Y476 WeakPolarHBondContact CA-O 3.36Å; E466-L729 HydrophobicContact CB-CD1 4.47Å; E466-L729 HydrophobicContact CG-CD1 4.03Å; E466-L729 HydrophobicContact CG-CD2 3.93Å; E466-L729 WeakPolarHBondContact OE1-CD2 3.27Å
467A93.6Very high83.9Confident0 Ų049.5 Ų49.50%029%0.294CS..EExtended strand (participates in β ladder)trans-139.9137.6177.300000110.4Y446 F450 E451 Y476 I478Y446-A467 HydrophobicContact CE2-CB 4.05Å; F450-A467 HydrophobicContact CB-CB 4Å; F450-A467 HydrophobicContact CD1-CB 4.43Å; F450-A467 HydrophobicContact CG-CB 4.49Å; E451-A467 CarbonylContact O-C 3.54Å; E451-A467 VanDerWaalsContact O-CA 3.25Å; E451-A467 WeakPolarHBondContact O-CA 3.36Å; A467-Y476 PolarHBondContact N-O 3.28Å; A467-Y476 PolarHBondContact O-N 3.29Å; A467-I478 HydrophobicContact CB-CD1 4Å; A467-I478 HydrophobicContact CB-CG1 4.47Å
468R93.5Very high84.7Confident79 Ų7948 Ų4830%0.29828%0.279SS..EExtended strand (participates in β ladder)trans-89.4126.7178.4-175.3169.672.2143.4-8.4109.4F450 E451 M453 D473 C474 N475F450-R468 CarbonylContact C-O 3.55Å; F450-R468 VanDerWaalsContact CA-O 3.27Å; F450-R468 WeakPolarHBondContact CA-O 3.5Å; E451-R468 HydrophobicContact CB-CB 4.49Å; E451-R468 PolarHBondContact N-O 2.67Å; E451-R468 PolarHBondContact O-N 3.08Å; E451-R468 IonicContact OE2-CZ 3.39Å; E451-R468 IonicContact OE2-NE 2.7Å; E451-R468 PolarHBondContact OE2-NE 3.08Å; E451-R468 IonicContact OE2-NH2 2.75Å; E451-R468 PolarHBondContact OE2-NH2 2.78Å; M453-R468 HydrophobicContact CG-CB 4.15Å; M453-R468 HydrophobicContact SD-CB 4.31Å; R468-D473 WeakPolarHBondContact CD-OD1 3.47Å; R468-D473 IonicContact CZ-OD1 3.36Å; R468-D473 IonicContact NE-OD1 3.59Å; R468-D473 IonicContact NH1-OD1 2.76Å; R468-D473 PolarHBondContact NH1-OD1 3.09Å; R468-C474 WeakPolarHBondContact CA-O 3.41Å; R468-N475 WeakPolarHBondContact CB-OD1 3.38Å; R468-N475 WeakPolarHBondContact CG-OD1 3.2Å
469N93.8Very high85.6Confident14 Ų1441.2 Ų41.28%0.07525%0.247CC..EExtended strand (participates in β ladder)trans-76.5130.8175.1-176-82.1000110.2D449 F450 V471 D472 D473 C474 Y476D449-N469 PolarHBondContact O-ND2 3.06Å; F450-N469 HydrophobicContact CD1-CB 3.7Å; F450-N469 HydrophobicContact CE1-CB 3.63Å; F450-N469 VanDerWaalsContact CE1-ND2 3.33Å; F450-N469 WeakPolarHBondContact CE1-ND2 3.41Å; F450-N469 WeakPolarHBondContact CZ-ND2 3.34Å; N469-V471 PolarHBondContact O-N 3.49Å; N469-V471 WeakPolarHBondContact OD1-CA 3.47Å; N469-V471 WeakPolarHBondContact OD1-CB 3.32Å; N469-V471 PolarHBondContact OD1-N 2.77Å; N469-D472 WeakPolarHBondContact CB-OD1 3.36Å; N469-D472 PolarHBondContact OD1-N 2.94Å; N469-D473 WeakPolarHBondContact O-CA 3.49Å; N469-D473 PolarHBondContact O-N 3.06Å; N469-C474 PolarHBondContact N-O 3.33Å; N469-Y476 HydrophobicContact CB-CD2 4.15Å; N469-Y476 HydrophobicContact CB-CE2 3.9Å
470K90.5Very high86.9Confident101 Ų10139.6 Ų39.644%0.43923%0.226SC..THydrogen-bonded Turntrans-71.5-13.5-174.3-62.6179.8-163.81540114.2L447 T448 D449 F450 E451L447-K470 PolarHBondContact O-NZ 3.05Å; T448-K470 WeakPolarHBondContact O-CD 3.33Å; T448-K470 WeakPolarHBondContact O-CE 3.41Å; T448-K470 PolarHBondContact O-NZ 3Å; D449-K470 PolarHBondContact O-N 3.07Å; F450-K470 VanDerWaalsContact O-CE 3.25Å; F450-K470 WeakPolarHBondContact O-CE 3.43Å; E451-K470 HydrophobicContact CG-CD 4.13Å; E451-K470 VanDerWaalsContact CG-CE 3.47Å; E451-K470 HydrophobicContact CG-CG 3.83Å
471V88.1Confident88.3Confident90 Ų9037.5 Ų37.555%0.54520%0.197SC..THydrogen-bonded Turntrans-100.2-34.8-173.9-172.60000112.2R36 N469R36-V471 PolarHBondContact NH1-O 2.97Å; R36-V471 VanDerWaalsContact NH1-O 3.15Å; N469-V471 PolarHBondContact O-N 3.49Å; N469-V471 WeakPolarHBondContact OD1-CA 3.47Å; N469-V471 WeakPolarHBondContact OD1-CB 3.32Å; N469-V471 PolarHBondContact OD1-N 2.77Å
472D89.9Confident89.7Confident41 Ų4141.1 Ų41.122%0.21921%0.209CC..THydrogen-bonded Turntrans-109.6-7.7179.667.737.3000115.3N469 C474 Y476N469-D472 WeakPolarHBondContact CB-OD1 3.36Å; N469-D472 PolarHBondContact OD1-N 2.94Å; D472-C474 PolarHBondContact O-N 3.25Å; D472-C474 PolarHBondContact O-SG 2.85Å; D472-C474 VanDerWaalsContact O-SG 3.41Å; D472-C474 WeakPolarHBondContact OD1-CA 3.46Å; D472-C474 WeakPolarHBondContact OD1-CB 3.49Å; D472-C474 PolarHBondContact OD1-N 3.38Å; D472-Y476 PolarHBondContact OD2-OH 2.58Å
473D88.2Confident90.1Very high106 Ų10640.3 Ų40.357%0.56720%0.2SC*.  trans60.520.2-180-159.135.6000114.4R468 N469R468-D473 WeakPolarHBondContact CD-OD1 3.47Å; R468-D473 IonicContact CZ-OD1 3.36Å; R468-D473 IonicContact NE-OD1 3.59Å; R468-D473 IonicContact NH1-OD1 2.76Å; R468-D473 PolarHBondContact NH1-OD1 3.09Å; N469-D473 WeakPolarHBondContact O-CA 3.49Å; N469-D473 PolarHBondContact O-N 3.06Å
474C89.1Confident89.8Confident42 Ų4241.1 Ų41.128%0.28421%0.206SC..  trans-99.5144.3178.5-59.40000111.7R468 N469 D472 Y476R468-C474 WeakPolarHBondContact CA-O 3.41Å; N469-C474 PolarHBondContact N-O 3.33Å; D472-C474 PolarHBondContact O-N 3.25Å; D472-C474 PolarHBondContact O-SG 2.85Å; D472-C474 VanDerWaalsContact O-SG 3.41Å; D472-C474 WeakPolarHBondContact OD1-CA 3.46Å; D472-C474 WeakPolarHBondContact OD1-CB 3.49Å; D472-C474 PolarHBondContact OD1-N 3.38Å; C474-Y476 HydrophobicContact CB-CE2 3.77Å; C474-Y476 VanDerWaalsContact O-CD2 3.28Å; C474-Y476 WeakPolarHBondContact O-CD2 3.41Å; C474-Y476 WeakPolarHBondContact O-CE2 3.44Å
475N92.3Very high89.2Confident53 Ų5343.6 Ų43.628%0.28322%0.218SC..EExtended strand (participates in β ladder)trans-89.5134.2176.3-62.910.3000110.7E466 R468 L729E466-N475 HydrophobicContact CG-CB 4.18Å; E466-N475 PolarHBondContact OE1-ND2 3.49Å; R468-N475 WeakPolarHBondContact CB-OD1 3.38Å; R468-N475 WeakPolarHBondContact CG-OD1 3.2Å; N475-L729 HydrophobicContact CB-CD2 3.63Å; N475-L729 WeakPolarHBondContact O-CB 3.48Å
476Y94.9Very high88.6Confident18 Ų1851.1 Ų51.17%0.07125%0.246CC..EExtended strand (participates in β ladder)trans-124.3151.3-178.1-66.9-84.2000111.4F450 E466 A467 N469 D472 C474 F512 Q726F450-Y476 HydrophobicContact CE1-CD2 4.09Å; E466-Y476 WeakPolarHBondContact CA-O 3.36Å; A467-Y476 PolarHBondContact N-O 3.28Å; A467-Y476 PolarHBondContact O-N 3.29Å; N469-Y476 HydrophobicContact CB-CD2 4.15Å; N469-Y476 HydrophobicContact CB-CE2 3.9Å; D472-Y476 PolarHBondContact OD2-OH 2.58Å; C474-Y476 HydrophobicContact CB-CE2 3.77Å; C474-Y476 VanDerWaalsContact O-CD2 3.28Å; C474-Y476 WeakPolarHBondContact O-CD2 3.41Å; C474-Y476 WeakPolarHBondContact O-CE2 3.44Å; Y476-F512 HydrophobicContact CD1-CD2 4.12Å; Y476-F512 HydrophobicContact CD1-CE2 4.22Å; Y476-F512 HydrophobicContact CD1-CG 4.38Å; Y476-F512 AromaticContact CE1-CD1 3.87Å; Y476-F512 HydrophobicContact CE1-CD1 3.87Å; Y476-F512 AromaticContact CE1-CD2 3.98Å; Y476-F512 HydrophobicContact CE1-CD2 3.98Å; Y476-F512 AromaticContact CE1-CE1 3.82Å; Y476-F512 HydrophobicContact CE1-CE1 3.82Å; Y476-F512 AromaticContact CE1-CE2 3.93Å; Y476-F512 HydrophobicContact CE1-CE2 3.93Å; Y476-F512 AromaticContact CE1-CG 3.96Å; Y476-F512 HydrophobicContact CE1-CG 3.96Å; Y476-F512 AromaticContact CE1-CZ 3.84Å; Y476-F512 HydrophobicContact CE1-CZ 3.84Å; Y476-Q726 HydrophobicContact CD1-CG 3.77Å; Y476-Q726 VanDerWaalsContact CD1-NE2 3.27Å; Y476-Q726 VanDerWaalsContact CD2-NE2 3.3Å; Y476-Q726 HydrophobicContact CE1-CG 4.47Å; Y476-Q726 VanDerWaalsContact CE1-NE2 3.31Å; Y476-Q726 VanDerWaalsContact CE2-NE2 3.34Å; Y476-Q726 HydrophobicContact CG-CG 3.85Å; Y476-Q726 VanDerWaalsContact CG-NE2 3.26Å
477A93.3Very high87.8Confident11 Ų1156.7 Ų56.79%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-87.3115.1165.600000108.6L456 V464 F465 M727 L729L456-A477 HydrophobicContact CD1-CB 4.24Å; V464-A477 HydrophobicContact CG1-CB 4.41Å; F465-A477 CarbonylContact O-C 3.56Å; F465-A477 WeakPolarHBondContact O-CA 3.12Å; A477-M727 HydrophobicContact CB-CB 4.48Å; A477-M727 PolarHBondContact N-O 2.81Å; A477-M727 WeakPolarHBondContact O-CB 3.47Å; A477-M727 PolarHBondContact O-N 3.04Å; A477-L729 HydrophobicContact CB-CD1 4.36Å
478I92.7Very high86.7Confident0 Ų062.6 Ų62.60%030%0.303CS..EExtended strand (participates in β ladder)trans-115.6111.3-175.8-55.6-169.1000109.6Y446 F450 V464 F465 A467 W515 Y724 I725 Q726Y446-I478 HydrophobicContact CD2-CD1 4.39Å; Y446-I478 HydrophobicContact CD2-CG2 4.22Å; Y446-I478 HydrophobicContact CE2-CB 4.27Å; Y446-I478 HydrophobicContact CE2-CD1 4.07Å; Y446-I478 HydrophobicContact CE2-CG2 4Å; F450-I478 HydrophobicContact CD1-CD1 3.53Å; F450-I478 HydrophobicContact CD2-CD1 4.07Å; F450-I478 HydrophobicContact CE1-CD1 3.49Å; F450-I478 VanDerWaalsContact CE1-CD1 3.49Å; F450-I478 HydrophobicContact CE2-CD1 4.05Å; F450-I478 HydrophobicContact CG-CD1 3.85Å; F450-I478 HydrophobicContact CZ-CD1 3.77Å; V464-I478 WeakPolarHBondContact CA-O 3.44Å; F465-I478 PolarHBondContact N-O 3.07Å; F465-I478 PolarHBondContact O-N 3.19Å; A467-I478 HydrophobicContact CB-CD1 4Å; A467-I478 HydrophobicContact CB-CG1 4.47Å; I478-W515 HydrophobicContact CD1-CH2 4.38Å; I478-W515 HydrophobicContact CG2-CH2 4.29Å; I478-Y724 HydrophobicContact CG2-CD1 3.87Å; I478-I725 CarbonylContact C-O 3.31Å; I478-I725 WeakPolarHBondContact CA-O 3.4Å; I478-Q726 HydrophobicContact CD1-CG 4.4Å; I478-Q726 HydrophobicContact CG1-CB 4.48Å; I478-Q726 HydrophobicContact CG1-CG 4.33Å
479K90.1Very high85.6Confident14 Ų1460 Ų606%0.06130%0.299CS..EExtended strand (participates in β ladder)trans-93116.7178.9-175.5173-178.9-177.40110.1F461 V463 V464 I481 Y724 I725 M727 D794F461-K479 WeakPolarHBondContact O-CE 3.16Å; V463-K479 CarbonylContact O-C 3.57Å; V463-K479 WeakPolarHBondContact O-CA 3.49Å; V464-K479 HydrophobicContact CG2-CB 4.1Å; V464-K479 HydrophobicContact CG2-CD 4.32Å; V464-K479 HydrophobicContact CG2-CG 3.96Å; K479-I481 HydrophobicContact CD-CD1 4.22Å; K479-I481 HydrophobicContact CD-CG1 4.36Å; K479-I481 HydrophobicContact CG-CD1 4.33Å; K479-I481 HydrophobicContact CG-CG1 3.96Å; K479-Y724 CarbonylContact O-C 3.59Å; K479-Y724 WeakPolarHBondContact O-CA 3.36Å; K479-I725 PolarHBondContact N-O 3.24Å; K479-I725 PolarHBondContact O-N 3.43Å; K479-M727 HydrophobicContact CB-CE 4.17Å; K479-D794 IonicContact NZ-OD1 3.33Å; K479-D794 PolarHBondContact NZ-OD1 3.22Å
480R89.4Confident84.8Confident14 Ų1463.5 Ų63.55%0.05331%0.311CS..EExtended strand (participates in β ladder)trans-101.2110.4176.3-175-172.170-177.24.3110.1G462 V463 F465 D528 Y722 L723 Y724G462-R480 VanDerWaalsContact CA-O 3.28Å; G462-R480 WeakPolarHBondContact CA-O 3.26Å; V463-R480 PolarHBondContact N-O 3.34Å; V463-R480 PolarHBondContact O-N 2.93Å; F465-R480 HydrophobicContact CE2-CB 4.03Å; R480-D528 IonicContact CZ-OD1 3.68Å; R480-D528 IonicContact CZ-OD2 2.68Å; R480-D528 IonicContact NH1-OD1 3.2Å; R480-D528 PolarHBondContact NH1-OD1 2.89Å; R480-D528 IonicContact NH1-OD2 3.33Å; R480-D528 VanDerWaalsContact NH2-CG 3.3Å; R480-D528 IonicContact NH2-OD1 3.94Å; R480-D528 PolarHBondContact NH2-OD1 2.75Å; R480-D528 VanDerWaalsContact NH2-OD1 3.13Å; R480-D528 IonicContact NH2-OD2 2.66Å; R480-D528 PolarHBondContact NH2-OD2 3.07Å; R480-Y722 HydrophobicContact CG-CD1 4.05Å; R480-Y722 HydrophobicContact CG-CG 4.5Å; R480-L723 CarbonylContact C-O 3.41Å; R480-L723 WeakPolarHBondContact CA-O 3.48Å; R480-Y724 HydrophobicContact CB-CD1 4.02Å; R480-Y724 HydrophobicContact CB-CE1 3.85Å; R480-Y724 VanDerWaalsContact CD-CZ 3.4Å; R480-Y724 WeakPolarHBondContact CD-OH 3.3Å; R480-Y724 HydrophobicContact CG-CD1 4.1Å; R480-Y724 HydrophobicContact CG-CD2 4.34Å; R480-Y724 HydrophobicContact CG-CE1 3.67Å; R480-Y724 HydrophobicContact CG-CE2 3.92Å; R480-Y724 HydrophobicContact CG-CG 4.43Å
481I86.9Confident84.1Confident30 Ų3063.1 Ų63.115%0.15431%0.31CS..EExtended strand (participates in β ladder)trans-106.5126.2-177.7-45.2-171.9000108.8F461 K479 L483 Y722 L723 I725F461-I481 WeakPolarHBondContact O-CG1 3.45Å; K479-I481 HydrophobicContact CD-CD1 4.22Å; K479-I481 HydrophobicContact CD-CG1 4.36Å; K479-I481 HydrophobicContact CG-CD1 4.33Å; K479-I481 HydrophobicContact CG-CG1 3.96Å; I481-L483 PolarHBondContact O-N 3.17Å; I481-Y722 CarbonylContact O-C 3.51Å; I481-Y722 WeakPolarHBondContact O-CA 3.49Å; I481-L723 HydrophobicContact CB-CB 4.43Å; I481-L723 HydrophobicContact CD1-CD2 4.35Å; I481-L723 PolarHBondContact N-O 3.41Å; I481-L723 PolarHBondContact O-N 2.61Å; I481-I725 HydrophobicContact CD1-CD1 3.83Å
482R85.5Confident83.4Confident132 Ų13261.6 Ų61.650%0.49830%0.297SS..EExtended strand (participates in β ladder)trans-73.6121.4168.6-179.7173.4170.4177.3-4.3108.4Y722R482-Y722 HydrophobicContact CB-CD1 4.06Å; R482-Y722 HydrophobicContact CB-CE1 3.88Å; R482-Y722 HydrophobicContact CG-CE1 4.19Å
483L83.4Confident82.8Confident5 Ų561.2 Ų61.23%0.02630%0.296CS..PPolyproline II helixtrans-72.5142.9178.6-69.2-178.4000110.8I481 R490 V493 Q516 V721 L723I481-L483 PolarHBondContact O-N 3.17Å; L483-R490 HydrophobicContact CB-CG 4.29Å; L483-R490 HydrophobicContact CD1-CG 4.03Å; L483-V493 HydrophobicContact CD2-CB 4.41Å; L483-V493 HydrophobicContact CD2-CG1 3.84Å; L483-Q516 HydrophobicContact CD1-CG 4.42Å; L483-V721 HydrophobicContact CB-CB 4.44Å; L483-V721 HydrophobicContact CD1-CB 4.26Å; L483-V721 HydrophobicContact CD1-CG1 3.84Å; L483-V721 PolarHBondContact N-O 3.03Å; L483-L723 HydrophobicContact CD1-CB 4.28Å; L483-L723 HydrophobicContact CD2-CB 3.77Å; L483-L723 HydrophobicContact CD2-CD2 4.04Å; L483-L723 HydrophobicContact CG-CB 3.94Å
484P79Confident82.4Confident48 Ų4858.7 Ų58.731%0.31228%0.281SS..PPolyproline II helixtrans-73.2143.417530.7-34.6000110.9R486 A489P484-R486 VanDerWaalsContact C-N 3.28Å; P484-R486 PolarHBondContact O-N 3.41Å; P484-A489 HydrophobicContact CB-CB 4.03Å; P484-A489 HydrophobicContact CG-CB 3.53Å
485N75.3Confident81.8Confident86 Ų8663.3 Ų63.346%0.4629%0.293SS..SBendtrans-63.3-35.4179.1-63.431.5000111.3E487 R490 S718N485-E487 PolarHBondContact O-N 3.14Å; N485-R490 PolarHBondContact O-NH2 3.32Å; N485-S718 PolarHBondContact ND2-OG 2.84Å
486R77.7Confident81.1Confident170 Ų17062.1 Ų62.164%0.64229%0.285SS*.SBendtrans-65.7119.8178.2-168.9-179.779.91736.5111.9P484 L488 A489 R490P484-R486 VanDerWaalsContact C-N 3.28Å; P484-R486 PolarHBondContact O-N 3.41Å; R486-L488 PolarHBondContact O-N 3.43Å; R486-A489 HydrophobicContact CB-CB 4.46Å; R486-A489 WeakPolarHBondContact O-CB 3.47Å; R486-A489 PolarHBondContact O-N 3.18Å; R486-R490 PolarHBondContact O-N 3.45Å; R486-R490 VanDerWaalsContact O-N 3.1Å
487E76.3Confident80.4Confident137 Ų13761.9 Ų61.964%0.6429%0.286SS*.Hα-helixtrans-55.3-50.4-174.1-175.1146.4-122.300114.2N485 A489 R490 E491N485-E487 PolarHBondContact O-N 3.14Å; E487-A489 PolarHBondContact O-N 3.49Å; E487-A489 VanDerWaalsContact O-N 3.09Å; E487-R490 CarbonylContact O-C 3.6Å; E487-R490 WeakPolarHBondContact O-CA 3.41Å; E487-R490 VanDerWaalsContact O-CB 3.31Å; E487-R490 WeakPolarHBondContact O-CB 3.34Å; E487-R490 PolarHBondContact O-N 3.3Å; E487-R490 IonicContact OE1-NH1 3.95Å; E487-E491 WeakPolarHBondContact O-CB 3.33Å; E487-E491 PolarHBondContact O-N 3.44Å
488L70.9Confident79.9Confident124 Ų12468 Ų6865%0.64931%0.31SS*.Hα-helixtrans-55-31.3176.9-65173.4000113.7R486 K492R486-L488 PolarHBondContact O-N 3.43Å; L488-K492 PolarHBondContact O-N 3.31Å
489A69.6Low79.2Confident25 Ų2569.2 Ų69.221%0.20732%0.32CS..Hα-helixtrans-80.3-35.1176.500000111.7P484 R486 E487 V493P484-A489 HydrophobicContact CB-CB 4.03Å; P484-A489 HydrophobicContact CG-CB 3.53Å; R486-A489 HydrophobicContact CB-CB 4.46Å; R486-A489 WeakPolarHBondContact O-CB 3.47Å; R486-A489 PolarHBondContact O-N 3.18Å; E487-A489 PolarHBondContact O-N 3.49Å; E487-A489 VanDerWaalsContact O-N 3.09Å; A489-V493 WeakPolarHBondContact O-CG2 3.48Å; A489-V493 PolarHBondContact O-N 2.83Å; A489-V493 VanDerWaalsContact O-N 3.15Å
490R78.5Confident78.7Confident86 Ų8670 Ų7033%0.32533%0.325SS..Hα-helixtrans-65.5-43.5174.3-159.6-167.3-49.4146.46111.3L483 N485 R486 E487 V493 M494L483-R490 HydrophobicContact CB-CG 4.29Å; L483-R490 HydrophobicContact CD1-CG 4.03Å; N485-R490 PolarHBondContact O-NH2 3.32Å; R486-R490 PolarHBondContact O-N 3.45Å; R486-R490 VanDerWaalsContact O-N 3.1Å; E487-R490 CarbonylContact O-C 3.6Å; E487-R490 WeakPolarHBondContact O-CA 3.41Å; E487-R490 VanDerWaalsContact O-CB 3.31Å; E487-R490 WeakPolarHBondContact O-CB 3.34Å; E487-R490 PolarHBondContact O-N 3.3Å; E487-R490 IonicContact OE1-NH1 3.95Å; R490-V493 PolarHBondContact O-N 2.93Å; R490-M494 WeakPolarHBondContact O-CG 3.42Å; R490-M494 PolarHBondContact O-N 2.9Å
491E76Confident78.5Confident93 Ų9371.7 Ų71.744%0.43534%0.342SS..Hα-helixtrans-66.5-41179.4-161.3-105.1126.700111.1E487 M494 R495E487-E491 WeakPolarHBondContact O-CB 3.33Å; E487-E491 PolarHBondContact O-N 3.44Å; E491-M494 PolarHBondContact O-N 3.06Å; E491-R495 WeakPolarHBondContact O-CB 3.29Å; E491-R495 PolarHBondContact O-N 3.48Å; E491-R495 IonicContact OE1-CZ 3.02Å; E491-R495 IonicContact OE1-NE 3.85Å; E491-R495 PolarHBondContact OE1-NE 3.5Å; E491-R495 IonicContact OE1-NH2 2.67Å; E491-R495 PolarHBondContact OE1-NH2 2.84Å; E491-R495 IonicContact OE2-CZ 2.72Å; E491-R495 IonicContact OE2-NH2 2.66Å; E491-R495 PolarHBondContact OE2-NH2 3.04Å
492K71.8Confident78.4Confident59 Ų5978.5 Ų78.526%0.25737%0.371SS..Hα-helixtrans-56.8-51.4169.8178.1166175.7165.40112.4L488 M494 R495 E496L488-K492 PolarHBondContact O-N 3.31Å; K492-M494 VanDerWaalsContact C-N 3.28Å; K492-M494 PolarHBondContact O-N 3.44Å; K492-R495 WeakPolarHBondContact O-CA 3.38Å; K492-R495 VanDerWaalsContact O-CB 3.32Å; K492-R495 WeakPolarHBondContact O-CB 2.9Å; K492-R495 PolarHBondContact O-N 3.48Å; K492-E496 WeakPolarHBondContact CE-OE1 3.48Å; K492-E496 WeakPolarHBondContact CG-OE1 3.3Å; K492-E496 IonicContact NZ-OE1 2.74Å; K492-E496 WeakPolarHBondContact O-CG 3.46Å; K492-E496 PolarHBondContact O-N 2.95Å
493V77.5Confident78.4Confident32 Ų3273 Ų7319%0.19435%0.351CS..Hα-helixtrans-58.1-40.9176.9171.70000111.4L483 A489 R490 R495 E496 V497 L723L483-V493 HydrophobicContact CD2-CB 4.41Å; L483-V493 HydrophobicContact CD2-CG1 3.84Å; A489-V493 WeakPolarHBondContact O-CG2 3.48Å; A489-V493 PolarHBondContact O-N 2.83Å; A489-V493 VanDerWaalsContact O-N 3.15Å; R490-V493 PolarHBondContact O-N 2.93Å; V493-R495 VanDerWaalsContact C-N 3.32Å; V493-R495 PolarHBondContact O-N 3.03Å; V493-E496 PolarHBondContact O-N 3.21Å; V493-V497 WeakPolarHBondContact O-CG2 3.36Å; V493-V497 PolarHBondContact O-N 2.89Å; V493-L723 HydrophobicContact CG1-CD2 3.62Å
494M79.6Confident78.7Confident53 Ų5380.3 Ų80.326%0.26139%0.385SS..Hα-helixtrans-68.6-29.2176.3-68.9-58.9-68.500113.2R490 E491 K492 K498 Q516 L723R490-M494 WeakPolarHBondContact O-CG 3.42Å; R490-M494 PolarHBondContact O-N 2.9Å; E491-M494 PolarHBondContact O-N 3.06Å; K492-M494 VanDerWaalsContact C-N 3.28Å; K492-M494 PolarHBondContact O-N 3.44Å; M494-K498 WeakPolarHBondContact O-CB 3.4Å; M494-K498 WeakPolarHBondContact O-CD 3.48Å; M494-K498 WeakPolarHBondContact O-CG 3.37Å; M494-K498 PolarHBondContact O-N 2.92Å; M494-K498 VanDerWaalsContact O-N 3.07Å; M494-Q516 PolarHBondContact SD-NE2 3.39Å; M494-L723 HydrophobicContact SD-CD1 4.38Å
495R77.7Confident79.3Confident140 Ų14080.2 Ų80.253%0.52838%0.38SS..Hα-helixtrans-69.4-40.8172.8-159-176.9-57.2154.3-1.1111.2E491 K492 V493 K498 A499E491-R495 WeakPolarHBondContact O-CB 3.29Å; E491-R495 PolarHBondContact O-N 3.48Å; E491-R495 IonicContact OE1-CZ 3.02Å; E491-R495 IonicContact OE1-NE 3.85Å; E491-R495 PolarHBondContact OE1-NE 3.5Å; E491-R495 IonicContact OE1-NH2 2.67Å; E491-R495 PolarHBondContact OE1-NH2 2.84Å; E491-R495 IonicContact OE2-CZ 2.72Å; E491-R495 IonicContact OE2-NH2 2.66Å; E491-R495 PolarHBondContact OE2-NH2 3.04Å; K492-R495 WeakPolarHBondContact O-CA 3.38Å; K492-R495 VanDerWaalsContact O-CB 3.32Å; K492-R495 WeakPolarHBondContact O-CB 2.9Å; K492-R495 PolarHBondContact O-N 3.48Å; V493-R495 VanDerWaalsContact C-N 3.32Å; V493-R495 PolarHBondContact O-N 3.03Å; R495-K498 PolarHBondContact O-N 3.27Å; R495-A499 PolarHBondContact O-N 3.01Å
496E76.2Confident80Confident28 Ų2880.7 Ų80.713%0.13139%0.388CS..Hα-helixtrans-62.4-48.2174.3-67.4173.1-171.200111.3K492 V493 K498 A499 L500 V798K492-E496 WeakPolarHBondContact CE-OE1 3.48Å; K492-E496 WeakPolarHBondContact CG-OE1 3.3Å; K492-E496 IonicContact NZ-OE1 2.74Å; K492-E496 WeakPolarHBondContact O-CG 3.46Å; K492-E496 PolarHBondContact O-N 2.95Å; V493-E496 PolarHBondContact O-N 3.21Å; E496-K498 VanDerWaalsContact C-N 3.33Å; E496-K498 PolarHBondContact O-N 2.81Å; E496-A499 WeakPolarHBondContact O-CB 3.46Å; E496-A499 PolarHBondContact O-N 3.42Å; E496-A499 VanDerWaalsContact O-N 3.07Å; E496-L500 VanDerWaalsContact O-CG 3.31Å; E496-L500 WeakPolarHBondContact O-CG 3.25Å; E496-L500 PolarHBondContact O-N 3.08Å; E496-V798 VanDerWaalsContact CG-O 3.31Å; E496-V798 WeakPolarHBondContact CG-O 3.45Å
497V81.9Confident80.7Confident13 Ų1372.8 Ų72.88%0.07936%0.359CS..Hα-helixtrans-57.5-43.3173.7175.80000111.9V493 A499 L500 A501 A514 L723 I725V493-V497 WeakPolarHBondContact O-CG2 3.36Å; V493-V497 PolarHBondContact O-N 2.89Å; V497-A499 VanDerWaalsContact C-N 3.28Å; V497-A499 PolarHBondContact O-N 3.1Å; V497-L500 PolarHBondContact O-N 2.91Å; V497-A501 WeakPolarHBondContact O-CB 3.41Å; V497-A501 PolarHBondContact O-N 2.79Å; V497-A514 HydrophobicContact CG1-CB 3.89Å; V497-L723 HydrophobicContact CG2-CD1 4.47Å; V497-L723 HydrophobicContact CG2-CD2 3.67Å; V497-I725 HydrophobicContact CG2-CD1 3.99Å
498K81.1Confident81.5Confident139 Ų13966.4 Ų66.460%0.60433%0.33SS*.Hα-helixtrans-66.3-25.8176.7-75.6169.9-178.1179.40113.5M494 R495 E496M494-K498 WeakPolarHBondContact O-CB 3.4Å; M494-K498 WeakPolarHBondContact O-CD 3.48Å; M494-K498 WeakPolarHBondContact O-CG 3.37Å; M494-K498 PolarHBondContact O-N 2.92Å; M494-K498 VanDerWaalsContact O-N 3.07Å; R495-K498 PolarHBondContact O-N 3.27Å; E496-K498 VanDerWaalsContact C-N 3.33Å; E496-K498 PolarHBondContact O-N 2.81Å
499A78.4Confident82.5Confident25 Ų2561.4 Ų61.421%0.20730%0.303CS..Hα-helixtrans-76.2-48.2171.700000110.6R495 E496 V497 A501 K502 L772R495-A499 PolarHBondContact O-N 3.01Å; E496-A499 WeakPolarHBondContact O-CB 3.46Å; E496-A499 PolarHBondContact O-N 3.42Å; E496-A499 VanDerWaalsContact O-N 3.07Å; V497-A499 VanDerWaalsContact C-N 3.28Å; V497-A499 PolarHBondContact O-N 3.1Å; A499-A501 VanDerWaalsContact C-N 3.31Å; A499-A501 PolarHBondContact O-N 3.43Å; A499-K502 WeakPolarHBondContact O-CB 3.27Å; A499-K502 PolarHBondContact O-N 2.83Å; A499-L772 HydrophobicContact CB-CD1 4.5Å
500L81.1Confident83.4Confident31 Ų3164.3 Ų64.316%0.16231%0.309CS..Hα-helixtrans-59.5-38.9179.6-66.6171.6000113E496 V497 K502 L503 F795E496-L500 VanDerWaalsContact O-CG 3.31Å; E496-L500 WeakPolarHBondContact O-CG 3.25Å; E496-L500 PolarHBondContact O-N 3.08Å; V497-L500 PolarHBondContact O-N 2.91Å; L500-K502 PolarHBondContact O-N 2.85Å; L500-L503 HydrophobicContact CD2-CD1 4.01Å; L500-L503 PolarHBondContact O-N 3.27Å; L500-F795 HydrophobicContact CD1-CB 4.09Å; L500-F795 HydrophobicContact CD2-CB 3.45Å; L500-F795 VanDerWaalsContact CD2-CB 3.45Å; L500-F795 HydrophobicContact CD2-CD1 4.24Å; L500-F795 HydrophobicContact CD2-CD2 3.54Å; L500-F795 HydrophobicContact CD2-CE2 4.32Å; L500-F795 HydrophobicContact CD2-CG 3.49Å; L500-F795 VanDerWaalsContact CD2-CG 3.49Å; L500-F795 HydrophobicContact CG-CB 4.37Å
501A84.7Confident84Confident50 Ų5063 Ų6341%0.41331%0.305SS..THydrogen-bonded Turntrans-63.8-8175.400000114.6V497 A499 Y511V497-A501 WeakPolarHBondContact O-CB 3.41Å; V497-A501 PolarHBondContact O-N 2.79Å; A499-A501 VanDerWaalsContact C-N 3.31Å; A499-A501 PolarHBondContact O-N 3.43Å; A501-Y511 HydrophobicContact CB-CD1 4.03Å; A501-Y511 HydrophobicContact CB-CE1 3.62Å; A501-Y511 HydrophobicContact CB-CE2 4.28Å
502K84.8Confident84.6Confident173 Ų17361.4 Ų61.475%0.75230%0.296SS*.THydrogen-bonded Turntrans-103.7-3175.1-60.3175.4-177.4-179.80113.6A499 L500A499-K502 WeakPolarHBondContact O-CB 3.27Å; A499-K502 PolarHBondContact O-N 2.83Å; L500-K502 PolarHBondContact O-N 2.85Å
503L85.9Confident85.5Confident16 Ų1662.1 Ų62.18%0.08430%0.303CS..  trans-92.3113.4-175.9-55-174.4000111.1L500 I508 F766 L767 L772L500-L503 HydrophobicContact CD2-CD1 4.01Å; L500-L503 PolarHBondContact O-N 3.27Å; L503-I508 HydrophobicContact CB-CG2 4.47Å; L503-F766 HydrophobicContact CB-CE1 4.34Å; L503-F766 HydrophobicContact CD2-CE1 4.06Å; L503-L767 HydrophobicContact CD1-CD2 3.7Å; L503-L772 HydrophobicContact CD1-CD1 4.16Å; L503-L772 HydrophobicContact CD2-CD1 3.75Å; L503-L772 HydrophobicContact CG-CD1 4.46Å
504E89.4Confident86.2Confident158 Ų15862.1 Ų62.174%0.73831%0.306SS*.  trans-127.2105.3172.7-174.5164.8-148.400109.2F766E504-F766 WeakPolarHBondContact O-CZ 3.25Å
505H91.3Very high86.8Confident46 Ų4660.7 Ų60.721%0.21330%0.298CS..  trans-148.5142.7-179.9-171.8-110.2000110.6G507 I508 E762 F766H505-G507 VanDerWaalsContact C-N 3.26Å; H505-G507 PolarHBondContact ND1-N 3.48Å; H505-G507 PolarHBondContact O-N 2.82Å; H505-I508 HydrophobicContact CB-CB 4.13Å; H505-I508 HydrophobicContact CB-CD1 3.96Å; H505-I508 HydrophobicContact CB-CG1 4.06Å; H505-I508 PolarHBondContact O-N 3.28Å; H505-I508 VanDerWaalsContact O-N 3.09Å; H505-E762 PolarHBondContact CE1-O 2.69Å; H505-E762 VanDerWaalsContact CE1-O 3.25Å; H505-F766 HydrophobicContact CB-CB 4.4Å; H505-F766 HydrophobicContact CB-CD1 3.69Å; H505-F766 HydrophobicContact CB-CD2 3.99Å; H505-F766 HydrophobicContact CB-CE1 3.85Å; H505-F766 HydrophobicContact CB-CE2 4.14Å; H505-F766 HydrophobicContact CB-CG 3.75Å; H505-F766 HydrophobicContact CB-CZ 4.07Å; H505-F766 AromaticContact CD2-CD2 3.46Å; H505-F766 VanDerWaalsContact CD2-CD2 3.46Å; H505-F766 WeakPolarHBondContact CD2-CD2 3.3Å; H505-F766 AromaticContact CD2-CG 3.61Å; H505-F766 AromaticContact CG-CD2 3.85Å; H505-F766 AromaticContact CG-CG 3.58Å
506P90.9Very high87.5Confident96 Ų9658.7 Ų58.762%0.62330%0.295SS*.THydrogen-bonded Turntrans-53.9-39.7178.6-3038.1000113.9I508 K791P506-I508 PolarHBondContact O-N 3.41Å; P506-K791 WeakPolarHBondContact O-CE 3.36Å; P506-K791 PolarHBondContact O-NZ 2.91Å
507G92Very high88.2Confident4 Ų457.9 Ų57.94%0.04129%0.291CS..THydrogen-bonded Turntrans-83.56.7179.200000116.4H505 A763 V790 K791 V792H505-G507 VanDerWaalsContact C-N 3.26Å; H505-G507 PolarHBondContact ND1-N 3.48Å; H505-G507 PolarHBondContact O-N 2.82Å; G507-A763 WeakPolarHBondContact O-CB 3.42Å; G507-V790 WeakPolarHBondContact CA-O 3.41Å; G507-K791 WeakPolarHBondContact O-CA 3.43Å; G507-V792 PolarHBondContact O-N 3.4Å
508I92.2Very high88.5Confident4 Ų460.7 Ų60.72%0.02131%0.311CS..BIsolated β-bridgetrans-114.2140.8-178.8-72.1-179.3000110.8L503 H505 P506 R510 A763 F766 L767 K791 F795L503-I508 HydrophobicContact CB-CG2 4.47Å; H505-I508 HydrophobicContact CB-CB 4.13Å; H505-I508 HydrophobicContact CB-CD1 3.96Å; H505-I508 HydrophobicContact CB-CG1 4.06Å; H505-I508 PolarHBondContact O-N 3.28Å; H505-I508 VanDerWaalsContact O-N 3.09Å; P506-I508 PolarHBondContact O-N 3.41Å; I508-R510 PolarHBondContact O-N 3.06Å; I508-A763 HydrophobicContact CG1-CB 4.31Å; I508-F766 HydrophobicContact CD1-CD1 3.59Å; I508-F766 HydrophobicContact CD1-CE1 4Å; I508-L767 HydrophobicContact CD1-CD2 3.82Å; I508-L767 HydrophobicContact CD1-CG 4.08Å; I508-K791 WeakPolarHBondContact O-CD 3.32Å; I508-K791 PolarHBondContact O-NZ 3.45Å; I508-F795 HydrophobicContact CB-CZ 4.47Å; I508-F795 HydrophobicContact CD1-CZ 4.4Å; I508-F795 HydrophobicContact CG1-CZ 4.19Å; I508-F795 HydrophobicContact CG2-CE2 3.94Å; I508-F795 HydrophobicContact CG2-CZ 3.75Å
509I91.3Very high88.9Confident18 Ų1854.4 Ų54.49%0.09229%0.285CS..PPolyproline II helixtrans-57.5123.9172.7-68.2-175.1000109.6Y511 M727 Q728 F783 K791 V792I509-Y511 PolarHBondContact O-N 3.26Å; I509-M727 HydrophobicContact CG2-CB 3.86Å; I509-M727 HydrophobicContact CG2-SD 4.41Å; I509-Q728 HydrophobicContact CG2-CB 4.33Å; I509-F783 HydrophobicContact CD1-CD2 3.76Å; I509-F783 HydrophobicContact CD1-CE2 4.18Å; I509-F783 HydrophobicContact CD1-CG 4.4Å; I509-K791 HydrophobicContact CG1-CB 3.82Å; I509-V792 PolarHBondContact N-O 3.14Å
510R88.9Confident89.3Confident86 Ų8655.9 Ų55.933%0.32529%0.292SS..PPolyproline II helixtrans-70.1123.4180-178.4177.5-174.5-1763.4111.1S100 I508 F512 M727 Q728S100-R510 PolarHBondContact O-NH1 3.12Å; S100-R510 PolarHBondContact O-NH2 2.64Å; S100-R510 VanDerWaalsContact O-NH2 3.07Å; I508-R510 PolarHBondContact O-N 3.06Å; R510-F512 HydrophobicContact CB-CE2 4.39Å; R510-F512 HydrophobicContact CG-CE2 4.13Å; R510-F512 HydrophobicContact CG-CZ 4.4Å; R510-M727 WeakPolarHBondContact O-CA 3.44Å; R510-Q728 HydrophobicContact CB-CB 4.13Å; R510-Q728 PolarHBondContact O-N 2.82Å
511Y90.4Very high89.3Confident60 Ų6060 Ų6024%0.23531%0.31CS..EExtended strand (participates in β ladder)trans-74145.1167.1172.7-87000111A501 I509 A514 I725A501-Y511 HydrophobicContact CB-CD1 4.03Å; A501-Y511 HydrophobicContact CB-CE1 3.62Å; A501-Y511 HydrophobicContact CB-CE2 4.28Å; I509-Y511 PolarHBondContact O-N 3.26Å; Y511-A514 HydrophobicContact CE2-CB 4.06Å; Y511-A514 WeakPolarHBondContact OH-CB 3.21Å; Y511-A514 PolarHBondContact OH-N 2.75Å; Y511-A514 VanDerWaalsContact OH-N 3.11Å; Y511-I725 HydrophobicContact CD2-CG2 4.06Å; Y511-I725 HydrophobicContact CE2-CG2 4.06Å
512F89.5Confident88.9Confident58 Ų5859.4 Ų59.425%0.25431%0.309SS..EExtended strand (participates in β ladder)trans-118-61.9173.4-73.4-96.8000112Y476 R510 Q726 Q728Y476-F512 HydrophobicContact CD1-CD2 4.12Å; Y476-F512 HydrophobicContact CD1-CE2 4.22Å; Y476-F512 HydrophobicContact CD1-CG 4.38Å; Y476-F512 AromaticContact CE1-CD1 3.87Å; Y476-F512 HydrophobicContact CE1-CD1 3.87Å; Y476-F512 AromaticContact CE1-CD2 3.98Å; Y476-F512 HydrophobicContact CE1-CD2 3.98Å; Y476-F512 AromaticContact CE1-CE1 3.82Å; Y476-F512 HydrophobicContact CE1-CE1 3.82Å; Y476-F512 AromaticContact CE1-CE2 3.93Å; Y476-F512 HydrophobicContact CE1-CE2 3.93Å; Y476-F512 AromaticContact CE1-CG 3.96Å; Y476-F512 HydrophobicContact CE1-CG 3.96Å; Y476-F512 AromaticContact CE1-CZ 3.84Å; Y476-F512 HydrophobicContact CE1-CZ 3.84Å; R510-F512 HydrophobicContact CB-CE2 4.39Å; R510-F512 HydrophobicContact CG-CE2 4.13Å; R510-F512 HydrophobicContact CG-CZ 4.4Å; F512-Q726 HydrophobicContact CB-CB 4.28Å; F512-Q726 HydrophobicContact CB-CG 3.97Å; F512-Q726 PolarHBondContact N-O 3.08Å; F512-Q728 HydrophobicContact CE2-CB 4.01Å
513N90.9Very high89Confident75 Ų7553.4 Ų53.440%0.40128%0.282SS..EExtended strand (participates in β ladder)trans-146.2161.6-175.2-69.6-68.9000111W515 Q726N513-W515 HydrophobicContact CB-CE3 4.48Å; N513-W515 HydrophobicContact CB-CZ3 4.48Å; N513-Q726 HydrophobicContact CB-CB 4.26Å; N513-Q726 PolarHBondContact N-O 2.85Å; N513-Q726 PolarHBondContact ND2-OE1 2.81Å; N513-Q726 PolarHBondContact O-N 3.21Å
514A91.8Very high88.9Confident32 Ų3253 Ų5326%0.26428%0.28SS..EExtended strand (participates in β ladder)trans-142.2147.1161.800000110V497 Y511 L723 Y724 I725V497-A514 HydrophobicContact CG1-CB 3.89Å; Y511-A514 HydrophobicContact CE2-CB 4.06Å; Y511-A514 WeakPolarHBondContact OH-CB 3.21Å; Y511-A514 PolarHBondContact OH-N 2.75Å; Y511-A514 VanDerWaalsContact OH-N 3.11Å; A514-L723 HydrophobicContact CB-CD1 4.33Å; A514-Y724 CarbonylContact C-O 3.59Å; A514-Y724 WeakPolarHBondContact CA-O 3.39Å; A514-Y724 WeakPolarHBondContact CB-O 3.44Å; A514-I725 HydrophobicContact CB-CG1 4.36Å
515W92.4Very high88.5Confident22 Ų2248.4 Ų48.48%0.08326%0.258CS..EExtended strand (participates in β ladder)trans-147.816617667.596.9000110.8Y446 F450 I478 N513 E517 Y724 Q726Y446-W515 HydrophobicContact CD2-CZ2 4.34Å; F450-W515 HydrophobicContact CD2-CH2 4.28Å; F450-W515 AromaticContact CE2-CH2 3.5Å; F450-W515 HydrophobicContact CE2-CH2 3.5Å; F450-W515 VanDerWaalsContact CE2-CH2 3.5Å; F450-W515 HydrophobicContact CE2-CZ2 4.06Å; F450-W515 HydrophobicContact CE2-CZ3 4.25Å; F450-W515 HydrophobicContact CZ-CH2 4.04Å; F450-W515 HydrophobicContact CZ-CZ3 4.5Å; I478-W515 HydrophobicContact CD1-CH2 4.38Å; I478-W515 HydrophobicContact CG2-CH2 4.29Å; N513-W515 HydrophobicContact CB-CE3 4.48Å; N513-W515 HydrophobicContact CB-CZ3 4.48Å; W515-E517 PolarHBondContact NE1-OE1 2.83Å; W515-Y724 VanDerWaalsContact CE2-CB 3.41Å; W515-Y724 AromaticContact CE2-CG 3.78Å; W515-Y724 AromaticContact CZ2-CD1 3.96Å; W515-Y724 HydrophobicContact CZ2-CD1 3.96Å; W515-Y724 AromaticContact CZ2-CG 3.81Å; W515-Y724 HydrophobicContact CZ2-CG 3.81Å; W515-Y724 PolarHBondContact N-O 3.5Å; W515-Y724 AromaticContact NE1-CD2 3.77Å; W515-Y724 AromaticContact NE1-CG 3.82Å; W515-Y724 PolarHBondContact O-N 3.18Å; W515-Q726 HydrophobicContact CZ3-CB 4.16Å
516Q91.6Very high88Confident99 Ų9950 Ų5046%0.46327%0.266SS..EExtended strand (participates in β ladder)trans-112.1147.3175.4-66.7-179.7-1.200110.2L483 M494 V721 Y722 L723L483-Q516 HydrophobicContact CD1-CG 4.42Å; M494-Q516 PolarHBondContact SD-NE2 3.39Å; Q516-V721 HydrophobicContact CB-CG1 4.22Å; Q516-Y722 CarbonylContact C-O 3.49Å; Q516-Y722 VanDerWaalsContact CA-O 3.32Å; Q516-Y722 WeakPolarHBondContact CA-O 3.32Å; Q516-L723 HydrophobicContact CG-CD1 4.39Å
517E91.3Very high87.4Confident10 Ų1047.4 Ų47.45%0.04725%0.246CC..EExtended strand (participates in β ladder)trans-134.1135.6174.6-81.8-169.7-132.400109.4Y442 S444 R445 Y446 W515 P519 V721 Y722 Y724Y442-E517 WeakPolarHBondContact OH-CB 3.46Å; Y442-E517 WeakPolarHBondContact OH-CG 3.49Å; Y442-E517 PolarHBondContact OH-OE2 2.91Å; S444-E517 WeakPolarHBondContact CA-OE2 3.5Å; S444-E517 VanDerWaalsContact CB-OE2 3.29Å; S444-E517 WeakPolarHBondContact CB-OE2 3.44Å; S444-E517 PolarHBondContact OG-OE2 2.9Å; R445-E517 PolarHBondContact N-OE1 2.9Å; R445-E517 PolarHBondContact N-OE2 3Å; Y446-E517 WeakPolarHBondContact CB-OE1 3.48Å; Y446-E517 PolarHBondContact N-OE1 2.88Å; W515-E517 PolarHBondContact NE1-OE1 2.83Å; E517-P519 VanDerWaalsContact C-CD 3.45Å; E517-P519 WeakPolarHBondContact O-CD 3.35Å; E517-V721 WeakPolarHBondContact O-CA 3.26Å; E517-Y722 PolarHBondContact N-O 3.29Å; E517-Y722 PolarHBondContact O-N 3.4Å; E517-Y724 HydrophobicContact CB-CD2 4.31Å; E517-Y724 HydrophobicContact CB-CE2 3.92Å; E517-Y724 HydrophobicContact CG-CD2 4.34Å; E517-Y724 HydrophobicContact CG-CE2 4.13Å
518S88.8Confident86.8Confident73 Ų7349.4 Ų49.451%0.5126%0.256SS..  trans-121.273.8178.3590000109.6
519P88.9Confident86Confident7 Ų754.6 Ų54.65%0.04528%0.279CS..PPolyproline II helixtrans-62.9153.4178.926.2-34.6000111.8Y442 E517 W523 Q524 Y722Y442-P519 HydrophobicContact CD1-CB 4.2Å; Y442-P519 HydrophobicContact CE1-CB 3.71Å; E517-P519 VanDerWaalsContact C-CD 3.45Å; E517-P519 WeakPolarHBondContact O-CD 3.35Å; P519-W523 HydrophobicContact CB-CB 4.4Å; P519-W523 HydrophobicContact CB-CD2 4.2Å; P519-W523 HydrophobicContact CB-CE3 3.54Å; P519-W523 HydrophobicContact CB-CZ3 4.24Å; P519-W523 HydrophobicContact CG-CE3 4.44Å; P519-Q524 HydrophobicContact CB-CB 4.46Å; P519-Q524 HydrophobicContact CG-CB 3.94Å; P519-Y722 HydrophobicContact CG-CD2 3.83Å; P519-Y722 HydrophobicContact CG-CE2 3.86Å
520P87.6Confident85.2Confident56 Ų5659.7 Ų59.736%0.36430%0.298SS..PPolyproline II helixtrans-55.8156.6169.8-23.833.6000112.3Y442 G522 W523Y442-P520 HydrophobicContact CD2-CG 4.47Å; Y442-P520 VanDerWaalsContact CG-CD 3.45Å; Y442-P520 HydrophobicContact CG-CG 4.21Å; P520-G522 PolarHBondContact O-N 3.49Å; P520-W523 HydrophobicContact CB-CB 4.26Å; P520-W523 VanDerWaalsContact O-CB 3.3Å; P520-W523 WeakPolarHBondContact O-CB 3.43Å; P520-W523 PolarHBondContact O-N 2.99Å
521E80.5Confident84.1Confident116 Ų11658.8 Ų58.854%0.54229%0.294SS..THydrogen-bonded Turntrans-58.3138.5176.1-70.6-152.1102.600112.3W523 P717E521-W523 PolarHBondContact O-N 2.86Å; E521-P717 VanDerWaalsContact CD-CG 3.43Å; E521-P717 VanDerWaalsContact OE1-CG 3.27Å; E521-P717 WeakPolarHBondContact OE1-CG 3.41Å; E521-P717 WeakPolarHBondContact OE2-CG 3.47Å
522G76.7Confident82.9Confident38 Ų3862.5 Ų62.539%0.39231%0.313SS..THydrogen-bonded Turntrans76.4-24.2-177.300000114.4P520 Q524 E525 E526P520-G522 PolarHBondContact O-N 3.49Å; G522-Q524 PolarHBondContact O-N 2.98Å; G522-E525 WeakPolarHBondContact CA-OE2 3.4Å; G522-E525 PolarHBondContact N-OE2 2.91Å; G522-E525 PolarHBondContact O-N 3.18Å; G522-E526 WeakPolarHBondContact O-CB 3.43Å; G522-E526 PolarHBondContact O-N 3.37Å
523W86.4Confident81.3Confident47 Ų4765.4 Ų65.418%0.17833%0.326CS..Hα-helixtrans-60-46-176.5-175.496.4000112Y442 S444 L447 P519 P520 E521 E526 M527Y442-W523 AromaticContact CD1-CD2 3.8Å; Y442-W523 HydrophobicContact CD1-CD2 3.8Å; Y442-W523 AromaticContact CD1-CE2 3.66Å; Y442-W523 HydrophobicContact CD1-CE3 4.03Å; Y442-W523 HydrophobicContact CD1-CG 4.41Å; Y442-W523 HydrophobicContact CD1-CH2 4.08Å; Y442-W523 AromaticContact CD1-CZ2 3.82Å; Y442-W523 HydrophobicContact CD1-CZ2 3.82Å; Y442-W523 HydrophobicContact CD1-CZ3 4.17Å; Y442-W523 HydrophobicContact CE1-CD2 4.27Å; Y442-W523 HydrophobicContact CE1-CE3 4.01Å; Y442-W523 AromaticContact CE1-CH2 3.98Å; Y442-W523 HydrophobicContact CE1-CH2 3.98Å; Y442-W523 HydrophobicContact CE1-CZ2 4.2Å; Y442-W523 AromaticContact CE1-CZ3 3.87Å; Y442-W523 HydrophobicContact CE1-CZ3 3.87Å; S444-W523 VanDerWaalsContact CB-CH2 3.5Å; L447-W523 HydrophobicContact CD1-CH2 3.67Å; L447-W523 HydrophobicContact CD1-CZ2 4.01Å; L447-W523 HydrophobicContact CG-CH2 4.49Å; P519-W523 HydrophobicContact CB-CB 4.4Å; P519-W523 HydrophobicContact CB-CD2 4.2Å; P519-W523 HydrophobicContact CB-CE3 3.54Å; P519-W523 HydrophobicContact CB-CZ3 4.24Å; P519-W523 HydrophobicContact CG-CE3 4.44Å; P520-W523 HydrophobicContact CB-CB 4.26Å; P520-W523 VanDerWaalsContact O-CB 3.3Å; P520-W523 WeakPolarHBondContact O-CB 3.43Å; P520-W523 PolarHBondContact O-N 2.99Å; E521-W523 PolarHBondContact O-N 2.86Å; W523-E526 PolarHBondContact O-N 2.91Å; W523-M527 HydrophobicContact CD2-CG 4Å; W523-M527 HydrophobicContact CE3-CG 4.03Å; W523-M527 HydrophobicContact CH2-CG 3.77Å; W523-M527 HydrophobicContact CZ2-CE 4.42Å; W523-M527 HydrophobicContact CZ2-CG 3.74Å; W523-M527 HydrophobicContact CZ2-SD 4.33Å; W523-M527 HydrophobicContact CZ3-CB 4.45Å; W523-M527 HydrophobicContact CZ3-CG 3.92Å; W523-M527 VanDerWaalsContact O-CG 3.32Å; W523-M527 WeakPolarHBondContact O-CG 3.45Å; W523-M527 PolarHBondContact O-N 2.8Å
524Q83.4Confident79.5Confident9 Ų966.3 Ų66.34%0.04233%0.331CS..Hα-helixtrans-70.7-37.9-178.7-172.559.795.900111.9P519 G522 M527 D528 Y722 Y724P519-Q524 HydrophobicContact CB-CB 4.46Å; P519-Q524 HydrophobicContact CG-CB 3.94Å; G522-Q524 PolarHBondContact O-N 2.98Å; Q524-M527 PolarHBondContact O-N 2.81Å; Q524-D528 PolarHBondContact NE2-OD1 3.47Å; Q524-D528 WeakPolarHBondContact O-CB 3.35Å; Q524-D528 VanDerWaalsContact O-CG 3.24Å; Q524-D528 PolarHBondContact O-N 2.84Å; Q524-Y722 HydrophobicContact CB-CE2 4.05Å; Q524-Y722 HydrophobicContact CG-CD2 4.49Å; Q524-Y722 HydrophobicContact CG-CE1 4.13Å; Q524-Y722 HydrophobicContact CG-CE2 3.91Å; Q524-Y724 PolarHBondContact OE1-OH 3.42Å
525E81.4Confident77.4Confident61 Ų6167.8 Ų67.829%0.28534%0.343SS..Hα-helixtrans-64.6-37.7174.2-71.682.7-169.700112.2G522 Q529 K720G522-E525 WeakPolarHBondContact CA-OE2 3.4Å; G522-E525 PolarHBondContact N-OE2 2.91Å; G522-E525 PolarHBondContact O-N 3.18Å; E525-Q529 WeakPolarHBondContact O-CG 3.37Å; E525-Q529 PolarHBondContact O-N 2.99Å; E525-K720 WeakPolarHBondContact OE1-CD 3.42Å; E525-K720 IonicContact OE1-NZ 3.51Å; E525-K720 PolarHBondContact OE1-NZ 2.76Å; E525-K720 IonicContact OE2-NZ 3.86Å; E525-K720 PolarHBondContact OE2-NZ 3.21Å
526E80.7Confident75.2Confident80 Ų8071.5 Ų71.537%0.37437%0.372SS..Hα-helixtrans-67.7-43.5175.7-160.6-158.5148.100111.7G522 W523 D528 Q529 R530G522-E526 WeakPolarHBondContact O-CB 3.43Å; G522-E526 PolarHBondContact O-N 3.37Å; W523-E526 PolarHBondContact O-N 2.91Å; E526-D528 VanDerWaalsContact C-N 3.35Å; E526-D528 PolarHBondContact O-N 2.84Å; E526-Q529 PolarHBondContact O-N 3.48Å; E526-R530 WeakPolarHBondContact O-CG 3.49Å; E526-R530 PolarHBondContact O-N 3.5Å; E526-R530 IonicContact OE1-CZ 2.75Å; E526-R530 IonicContact OE1-NE 3.29Å; E526-R530 PolarHBondContact OE1-NE 3.26Å; E526-R530 IonicContact OE1-NH2 3.75Å; E526-R530 PolarHBondContact OE1-NH2 3.36Å
527M79Confident72.6Confident41 Ų4172 Ų7220%0.20238%0.382CS..Hα-helixtrans-65.2-38.2177.2-67-60.4140.600112.1W523 Q524 R530 W531W523-M527 HydrophobicContact CD2-CG 4Å; W523-M527 HydrophobicContact CE3-CG 4.03Å; W523-M527 HydrophobicContact CH2-CG 3.77Å; W523-M527 HydrophobicContact CZ2-CE 4.42Å; W523-M527 HydrophobicContact CZ2-CG 3.74Å; W523-M527 HydrophobicContact CZ2-SD 4.33Å; W523-M527 HydrophobicContact CZ3-CB 4.45Å; W523-M527 HydrophobicContact CZ3-CG 3.92Å; W523-M527 VanDerWaalsContact O-CG 3.32Å; W523-M527 WeakPolarHBondContact O-CG 3.45Å; W523-M527 PolarHBondContact O-N 2.8Å; Q524-M527 PolarHBondContact O-N 2.81Å; M527-R530 PolarHBondContact O-N 3.29Å; M527-W531 WeakPolarHBondContact O-CB 3.09Å; M527-W531 PolarHBondContact O-N 3.39Å
528D79.6Confident69.8Low46 Ų4676 Ų7625%0.24641%0.408CS..Hα-helixtrans-64.6-40173.1-72.22.3000111.1R480 Q524 E526 W531 H532R480-D528 IonicContact CZ-OD1 3.68Å; R480-D528 IonicContact CZ-OD2 2.68Å; R480-D528 IonicContact NH1-OD1 3.2Å; R480-D528 PolarHBondContact NH1-OD1 2.89Å; R480-D528 IonicContact NH1-OD2 3.33Å; R480-D528 VanDerWaalsContact NH2-CG 3.3Å; R480-D528 IonicContact NH2-OD1 3.94Å; R480-D528 PolarHBondContact NH2-OD1 2.75Å; R480-D528 VanDerWaalsContact NH2-OD1 3.13Å; R480-D528 IonicContact NH2-OD2 2.66Å; R480-D528 PolarHBondContact NH2-OD2 3.07Å; Q524-D528 PolarHBondContact NE2-OD1 3.47Å; Q524-D528 WeakPolarHBondContact O-CB 3.35Å; Q524-D528 VanDerWaalsContact O-CG 3.24Å; Q524-D528 PolarHBondContact O-N 2.84Å; E526-D528 VanDerWaalsContact C-N 3.35Å; E526-D528 PolarHBondContact O-N 2.84Å; D528-W531 PolarHBondContact O-N 3.46Å; D528-H532 PolarHBondContact O-CD2 2.84Å; D528-H532 PolarHBondContact O-N 3.29Å
529Q75.4Confident67Low112 Ų11280.3 Ų80.352%0.52343%0.425SS..Hα-helixtrans-66.6-35.9174.1-77.2-175.727.500113.8E525 E526 K533E525-Q529 WeakPolarHBondContact O-CG 3.37Å; E525-Q529 PolarHBondContact O-N 2.99Å; E526-Q529 PolarHBondContact O-N 3.48Å; Q529-K533 WeakPolarHBondContact O-CD 3.34Å; Q529-K533 WeakPolarHBondContact O-CG 3.49Å; Q529-K533 PolarHBondContact O-N 3.05Å
530R74.3Confident64Low126 Ų12690.4 Ų90.448%0.47546%0.462SS..Hα-helixtrans-63.1-49.5172.7-72167.8177.5-132.28109.7E526 M527 H532 K533 D534E526-R530 WeakPolarHBondContact O-CG 3.49Å; E526-R530 PolarHBondContact O-N 3.5Å; E526-R530 IonicContact OE1-CZ 2.75Å; E526-R530 IonicContact OE1-NE 3.29Å; E526-R530 PolarHBondContact OE1-NE 3.26Å; E526-R530 IonicContact OE1-NH2 3.75Å; E526-R530 PolarHBondContact OE1-NH2 3.36Å; M527-R530 PolarHBondContact O-N 3.29Å; R530-H532 VanDerWaalsContact C-N 3.32Å; R530-H532 PolarHBondContact O-N 3.32Å; R530-K533 WeakPolarHBondContact O-CB 3.31Å; R530-K533 PolarHBondContact O-N 3.04Å; R530-D534 PolarHBondContact O-N 3.34Å
531W66.8Low61.1Low67 Ų6792.9 Ų92.925%0.25448%0.478SS..Hα-helixtrans-55.4-42.8176.9-171.9-102000113.3P452 M527 D528 K533 D534 A535P452-W531 HydrophobicContact CB-CE3 4.37Å; P452-W531 HydrophobicContact CB-CH2 3.63Å; P452-W531 HydrophobicContact CB-CZ2 4.22Å; P452-W531 HydrophobicContact CB-CZ3 3.71Å; P452-W531 HydrophobicContact CG-CE3 4.17Å; P452-W531 HydrophobicContact CG-CH2 3.95Å; P452-W531 HydrophobicContact CG-CZ3 3.52Å; P452-W531 WeakPolarHBondContact O-CH2 3.45Å; M527-W531 WeakPolarHBondContact O-CB 3.09Å; M527-W531 PolarHBondContact O-N 3.39Å; D528-W531 PolarHBondContact O-N 3.46Å; W531-K533 VanDerWaalsContact C-N 3.27Å; W531-K533 PolarHBondContact O-N 3.17Å; W531-D534 PolarHBondContact O-N 2.85Å; W531-A535 VanDerWaalsContact O-CB 3.26Å; W531-A535 WeakPolarHBondContact O-CB 3.44Å; W531-A535 PolarHBondContact O-N 2.93Å
532H63.6Low58.4Low137 Ų13796.5 Ų96.563%0.63450%0.497SS*.Hα-helixtrans-65.9-24.7176.2-81.2-64.5000114.2D528 R530D528-H532 PolarHBondContact O-CD2 2.84Å; D528-H532 PolarHBondContact O-N 3.29Å; R530-H532 VanDerWaalsContact C-N 3.32Å; R530-H532 PolarHBondContact O-N 3.32Å
533K57.2Low55.9Low120 Ų12099.8 Ų99.852%0.52252%0.515SS..Hα-helixtrans-81-45.9174.6-68.5161.4-173.71660110.8Q529 R530 W531 A535 S536 T537Q529-K533 WeakPolarHBondContact O-CD 3.34Å; Q529-K533 WeakPolarHBondContact O-CG 3.49Å; Q529-K533 PolarHBondContact O-N 3.05Å; R530-K533 WeakPolarHBondContact O-CB 3.31Å; R530-K533 PolarHBondContact O-N 3.04Å; W531-K533 VanDerWaalsContact C-N 3.27Å; W531-K533 PolarHBondContact O-N 3.17Å; K533-A535 PolarHBondContact O-N 3.32Å; K533-S536 PolarHBondContact O-N 3.48Å; K533-S536 PolarHBondContact O-OG 2.99Å; K533-T537 PolarHBondContact O-N 2.82Å; K533-T537 PolarHBondContact O-OG1 2.97Å
534D52.1Low52.9Low94 Ų94105.6 Ų105.650%0.50355%0.548SS..Hα-helixtrans-62.6-42.1179.1-62.8-30.2000111.7R530 W531 S536 T537 T538R530-D534 PolarHBondContact O-N 3.34Å; W531-D534 PolarHBondContact O-N 2.85Å; D534-S536 PolarHBondContact O-N 2.93Å; D534-S536 VanDerWaalsContact O-N 3.14Å; D534-T537 WeakPolarHBondContact O-CB 3.32Å; D534-T537 PolarHBondContact O-N 2.98Å; D534-T538 PolarHBondContact O-N 2.99Å
535A48.8Very low50.3Low63 Ų63110.2 Ų110.252%0.52158%0.578SS.*THydrogen-bonded Turntrans-64.1-15.6175.500000114.4W531 K533W531-A535 VanDerWaalsContact O-CB 3.26Å; W531-A535 WeakPolarHBondContact O-CB 3.44Å; W531-A535 PolarHBondContact O-N 2.93Å; K533-A535 PolarHBondContact O-N 3.32Å
536S45.5Very low47.7Very low100 Ų100115.5 Ų115.570%0.69961%0.608SS**THydrogen-bonded Turntrans-92.5-2.5171.773.10000113.9K533 D534K533-S536 PolarHBondContact O-N 3.48Å; K533-S536 PolarHBondContact O-OG 2.99Å; D534-S536 PolarHBondContact O-N 2.93Å; D534-S536 VanDerWaalsContact O-N 3.14Å
537T36.1Very low45.1Very low109 Ų109119.7 Ų119.767%0.66963%0.628SS**THydrogen-bonded Turntrans-112.6-16.2-171.8-50.40000113K533 D534 D539K533-T537 PolarHBondContact O-N 2.82Å; K533-T537 PolarHBondContact O-OG1 2.97Å; D534-T537 WeakPolarHBondContact O-CB 3.32Å; D534-T537 PolarHBondContact O-N 2.98Å; T537-D539 PolarHBondContact O-N 3.3Å; T537-D539 VanDerWaalsContact O-N 3.14Å
538T34.2Very low42.6Very low95 Ų95126 Ų12658%0.58366%0.659SS**  trans-87.964.7-17753.10000114.5D534D534-T538 PolarHBondContact O-N 2.99Å
539D28Very low40.1Very low163 Ų163132.1 Ų132.187%0.87269%0.686SS**  trans-81.8107.1157.7-102.5-27.6000109.1T537T537-D539 PolarHBondContact O-N 3.3Å; T537-D539 VanDerWaalsContact O-N 3.14Å
540W27.6Very low37.7Very low218 Ų218132.5 Ų132.583%0.82670%0.696SS**  trans-84.6131174.4-77.596.6000110.9M542W540-M542 PolarHBondContact O-N 2.88Å; W540-M542 VanDerWaalsContact O-N 3.08Å
541P26.9Very low35.3Very low108 Ų108133.8 Ų133.870%0.70171%0.711SS**  trans-73105.1-173.928.3-35.1000112.2S543P541-S543 PolarHBondContact O-N 3.09Å
542M23.3Very low33.3Very low192 Ų192136.8 Ų136.895%0.94674%0.742SS**  trans-59.3130.3163.7-74.2-137.4-63.900110.2W540W540-M542 PolarHBondContact O-N 2.88Å; W540-M542 VanDerWaalsContact O-N 3.08Å
543S24.3Very low31.5Very low108 Ų108136.9 Ų136.976%0.75575%0.752SS**  trans-142.494.9175.643.70000111.8P541P541-S543 PolarHBondContact O-N 3.09Å
544I23Very low30Very low169 Ų169140.3 Ų140.387%0.86777%0.767SS**  trans-145.7139.9146.1-104.8159.6000105.9
545P29.3Very low28.6Very low105 Ų105142.3 Ų142.368%0.68278%0.782SS**  trans-100.1150.7-153.236.9-34.7000114.2
546D25.2Very low27.6Very low172 Ų172144.8 Ų144.892%0.9279%0.793SS**  trans-118.9143.8156.4-112-39.3000110.2
547H26.9Very low26.5Very low169 Ų169145.9 Ų145.978%0.78280%0.795SS**  trans-117.9111.5-167.1-117.2-88.2000111.3
548M27.3Very low25.9Very low173 Ų173145.7 Ų145.785%0.85280%0.798SS**  trans175.9118.9146.4-97.3165.5-169.900107
549E26Very low25.4Very low175 Ų175147.3 Ų147.382%0.81881%0.808SS**  51.7121.585.2-61.2-164.3163.400111.9
550V25.5Very low25.2Very low120 Ų120144.4 Ų144.473%0.72780%0.801SS**  cis-146.714141167.40000113.2
551L24.3Very low25.1Very low153 Ų153140.9 Ų140.980%0.80180%0.803SS**  trans18.6121.3155.2-56.6168.6000120.5
552S24.7Very low24.9Very low130 Ų130140.8 Ų140.891%0.90981%0.805SS**  trans-104.5125.2148.4-78.30000110.8
553V26.1Very low25.7Very low138 Ų138137.2 Ų137.284%0.83680%0.796SS**  trans-120.9151.6168.4179.80000108.6
554K24.4Very low25.8Very low193 Ų193138 Ų13884%0.83980%0.796SS**  trans-121.8169.6-150.5-162.5172.7-174.7173.50112.1
555V24.1Very low26.1Very low135 Ų135135.4 Ų135.482%0.81879%0.793SS**  trans94.1141.2168.6-174.30000114.7
556P27Very low26Very low115 Ų115133.9 Ų133.975%0.74780%0.796SS**  trans-124-163.3-155.141.7-24.6000115.2
557V22.6Very low26.5Very low124 Ų124131.1 Ų131.175%0.75279%0.788SS**  trans114.8101162.7-177.50000116
558S22.8Very low26.6Very low105 Ų105130.8 Ų130.873%0.73479%0.792SS**  trans54.1152136.3-55.10000124.8
559T23.9Very low26.8Very low128 Ų128126.1 Ų126.179%0.78579%0.788SS**  trans83.695.2153.912.90000120.1
560S23.5Very low27Very low102 Ų102125.6 Ų125.671%0.71379%0.791SS**  trans51.512013262.30000121.6
561V25.4Very low27.2Very low145 Ų145125.7 Ų125.788%0.87979%0.792SS**  -174.9142.2119.4143.30000109.8
562S24.4Very low27.6Very low105 Ų105123.4 Ų123.473%0.73479%0.789SS**  trans-106.3-177175.1-11.60000110.6
563P38.7Very low27.9Very low118 Ų118122.7 Ų122.777%0.76678%0.779SS**  cis-111.5-158.2-10.621.73.9000109.6
564T26.4Very low28.3Very low124 Ų124120.6 Ų120.676%0.76177%0.77SS**  cis-166.6173.239.144.50000108.5
565S29.2Very low28.7Very low115 Ų115115.8 Ų115.880%0.80477%0.766SS**  cis-170.2139-16.945.10000108.4
566G28.2Very low29Very low72 Ų72119.1 Ų119.174%0.74277%0.773SS**  trans178.8135.4169.900000110.2
567P35.3Very low29.1Very low114 Ų114117.8 Ų117.874%0.7477%0.772SS**  trans-102.1143.2-150.20.621.5000115.1
568D29.6Very low29.2Very low162 Ų162119.5 Ų119.587%0.86678%0.776SS**  39.6127.4117.9-42.4-33.7000119.4
569G30.3Very low29.3Very low76 Ų76121.9 Ų121.978%0.78478%0.78SS**  cis175.3165-3.600000115.4
570D30.9Very low29.4Very low163 Ų163121.7 Ų121.787%0.87278%0.784SS**  trans-87.8147.8174-65.5-64.6000113
571T30.2Very low29.4Very low123 Ų123124.3 Ų124.376%0.75579%0.79SS**  trans-160124.8147.9120000106.9V573T571-V573 HydrophobicContact CG2-CG2 4.36Å
572S31.5Very low29.5Very low104 Ų104123.4 Ų123.473%0.72779%0.789SS**  cis62.4143.242.898.20000112.7
573V31.8Very low29.5Very low115 Ų115126 Ų12670%0.69780%0.795SS**  -159161.480.8155.20000112.3T571T571-V573 HydrophobicContact CG2-CG2 4.36Å
574S33.9Very low29Very low95 Ų95125.4 Ų125.466%0.66480%0.801SS**  trans-30.7145.6171.562.70000117.5
575A33.4Very low28.9Very low91 Ų91123 Ų12375%0.75280%0.8SS**  cis68.1123.148.200000115.9
576Q30.1Very low28.6Very low205 Ų205127.4 Ų127.496%0.95881%0.805SS**  trans-176.1169.2130.3-102.8-177.714.200110.4
577A28.8Very low28.4Very low87 Ų87129.1 Ų129.172%0.71981%0.805SS**  trans-110.8156.5-176.300000111.9
578L26.1Very low28.1Very low161 Ų161128 Ų12884%0.84381%0.806SS**  -174.8144.3117-97.1169000113.6
579L24.7Very low27.9Very low155 Ų155126.7 Ų126.781%0.81280%0.799SS**  trans-15132165.5-56.8166.8000119.2
580S24.4Very low27.8Very low124 Ų124131.7 Ų131.787%0.86780%0.802SS**  -169.1148.8122.2-84.30000113.9
581N23.6Very low27.6Very low157 Ų157127.4 Ų127.484%0.8480%0.797SS**  trans-63.1150.8-173.4-60.5-23000115.5
582S27.8Very low27.5Very low125 Ų125128.7 Ų128.787%0.87480%0.799SS**  -162.4160.812322.30000112.9
583N23.8Very low27.4Very low159 Ų159129.3 Ų129.385%0.8580%0.798SS**  trans-85.5163.6-164.5-63.5-31.1000115.2
584A28Very low27.1Very low107 Ų107130 Ų13088%0.88480%0.797SS**  trans72.5146.5157.900000118.3
585G25.8Very low26.8Very low72 Ų72132.2 Ų132.274%0.74280%0.801SS**  cis163.2162.4-12.900000115.8
586F23Very low26.4Very low208 Ų208131.9 Ų131.991%0.91279%0.794SS**  trans73.4111.4150.6-125.5-108.9000122
587S24.2Very low26.2Very low108 Ų108131.8 Ų131.876%0.75579%0.79SS**  trans87.2165.5134.2-148.40000122.7
588A28.1Very low26Very low90 Ų90134.9 Ų134.974%0.74479%0.79SS**  trans65.2120.9-178.300000116.3
589N25.5Very low26.3Very low136 Ų136133.2 Ų133.273%0.72779%0.789SS**  cis90.8131.28.8-146.564.1000117.7
590E28.9Very low26.4Very low180 Ų180132.5 Ų132.584%0.84179%0.785SS**  trans76.4151166.4-79.8163.3-16800122.5
591G26.5Very low27.2Very low74 Ų74132.7 Ų132.776%0.76378%0.783SS**  trans89.2106.3174.900000115.3
592D27.3Very low27.3Very low150 Ų150128.9 Ų128.980%0.80278%0.781SS**  cis86.6137.615.7-154.319.7000117.2
593V29.6Very low27.4Very low117 Ų117131 Ų13171%0.70978%0.776SS**  trans55.6155.1176.4-100.80000118.7
594D24.8Very low27.5Very low128 Ų128129.9 Ų129.968%0.68477%0.771SS**  cis-154.1173.9-1.2-149.8-1.4000113.9
595L27.4Very low27.5Very low142 Ų142129.6 Ų129.674%0.74376%0.762SS**  trans1.3151.5147.1-75.6169.7000120.5
596S25.2Very low27.6Very low85 Ų85133.2 Ų133.259%0.59476%0.764SS**  cis-179179.39.647.10000115.3
597F26.1Very low27.8Very low202 Ų202131.3 Ų131.389%0.88676%0.76SS**  trans78.4123.4149.1-86-69.3000122.9
598Q24.3Very low27.9Very low153 Ų153131.4 Ų131.472%0.71576%0.76SS**  trans-78.4164.4164.8-124177.19.800110.8
599P33.8Very low27.9Very low126 Ų126134.3 Ų134.382%0.81876%0.758SS**  -147.3168.971.138.7-19000118.3
600L26.5Very low28Very low140 Ų140138.3 Ų138.373%0.73376%0.763SS**  trans-79.6-178.2167.7-74.6160.5000111.8
601P41.4Very low27.9Very low127 Ų127136.7 Ų136.783%0.82576%0.76SS**  cis-129.1178.2-4.131.8-11.2000115.1
602G26.3Very low28.3Very low77 Ų77137.7 Ų137.779%0.79476%0.756SS**  trans178.682.2171.700000118.3
603H28.7Very low28.5Very low169 Ų169139.6 Ų139.678%0.78276%0.76SS**  trans3.5138.2157.9-82.3-82.9000124.6
604D25.1Very low28.4Very low136 Ų136138.5 Ų138.573%0.72776%0.763SS**  trans84.6130132.4-655.3000124.6
605S29.2Very low28.4Very low101 Ų101139.7 Ų139.771%0.70677%0.77SS**  trans75.8100.5140.7-62.90000123.6
606L28.1Very low29.5Very low148 Ų148137.2 Ų137.278%0.77576%0.762SS**  52.8121.1119.4-69168000122.6
607M26.5Very low29.9Very low169 Ų169140.3 Ų140.383%0.83377%0.772SS**  trans85.2146.4133.9-67.6-70.7162.200122.6
608S27.2Very low30.1Very low109 Ų109134.3 Ų134.376%0.76276%0.759SS**  trans93.1123.5156.1-157.10000120.8
609E26.6Very low30.5Very low151 Ų151132.1 Ų132.171%0.70676%0.761SS**  trans-37.9147.4163.1-46.8169.2152.100116.7
610R28.3Very low30.4Very low221 Ų221133.4 Ų133.483%0.83476%0.761SS**  -177.616395.3-100.6-176.1-168.1175.75116.3
611D27.6Very low30.5Very low145 Ų145132.4 Ų132.478%0.77576%0.761SS**  trans-71.2166.4-179.8-37.3-99.4000114.5
612S34.1Very low30.5Very low96 Ų96131.7 Ų131.767%0.67176%0.757SS**  169.5137100.160.30000115.5
613Q30.9Very low30.7Very low189 Ų189134.8 Ų134.888%0.88376%0.755SS**  trans68.4151.1140.7-76.3172.2-16.600120.2
614A28.6Very low30.9Very low95 Ų95130.6 Ų130.679%0.78574%0.744SS**  cis-156.1172.8-2.300000113.7
615D25.5Very low31.1Very low153 Ų153132.1 Ų132.182%0.81875%0.745SS**  trans-79.5-161.3175.4-138.47.2000111.6
616P50.5Low31.2Very low90 Ų90134 Ų13458%0.58474%0.742SS**  cis-144.7-170.28.944.7-23.6000118.8
617D31.7Very low31.3Very low150 Ų150133.6 Ų133.680%0.80274%0.74SS**  trans78143.7147.4-69.5-24.7000122.2
618A31.7Very low31.2Very low75 Ų75130.8 Ų130.862%0.6274%0.736SS**  cis-171.8156.9-15.700000113.5
619S33Very low31.8Very low107 Ų107131 Ų13175%0.74874%0.735SS**  trans64.8152.8150.173.90000120.4
620D30.6Very low32.6Very low154 Ų154129 Ų12982%0.82474%0.735SS**  cis-159.5170.3-19.1-121.3-50.3000111.9
621T29.6Very low32.6Very low118 Ų118130.6 Ų130.672%0.72474%0.741SS**  trans-98.9173.3-179.460.40000114.3
622P40.2Very low32.4Very low113 Ų113126.9 Ų126.973%0.73474%0.737SS**  -154.3144105.639.6-21.7000117.9
623N31.4Very low32.8Very low141 Ų141128.7 Ų128.775%0.75475%0.746SS**  52.4147.6128.7-70.3-3.3000123.1
624S33.2Very low32.6Very low81 Ų81124.8 Ų124.857%0.56674%0.74SS**  cis-180157.50.747.10000115.5
625F29.3Very low32.6Very low169 Ų169127.9 Ų127.974%0.74174%0.743SS**  trans71148.4139.6-65.1-21000120.8
626E30.9Very low32.7Very low139 Ų139126.7 Ų126.765%0.6575%0.746SS**  cis-165.3158.50.3-121.4-178.4147.200115.7
627L29.9Very low31.5Very low140 Ų140128.9 Ų128.973%0.73376%0.758SS**  trans63.4155.3150.1-58.7168.6000119.8
628C25.1Very low31.3Very low111 Ų111127.3 Ų127.375%0.7576%0.758SS**  cis-155.2166.62-132.40000112.9
629P38.6Very low31.1Very low113 Ų113129 Ų12973%0.73477%0.765SS**  trans-126.2-126.4-168.343-25.1000113.4
630P45Very low30.8Very low108 Ų108128 Ų12870%0.70176%0.759SS**  -123.5-179.9-54.439-25.2000114.1
631R26.9Very low30.5Very low255 Ų255129.9 Ų129.996%0.96276%0.76SS**  trans-175.4160.6145.8-108.1162.7-170.31513.9115.6
632G24.8Very low30.3Very low67 Ų67131 Ų13169%0.69176%0.762SS**  trans-163-165166.600000108.4
633P41.6Very low29.7Very low134 Ų134131.9 Ų131.987%0.8776%0.759SS**  cis-128.6-179.4-6.643.1-28.5000113.9
634S27.3Very low29.5Very low108 Ų108131.3 Ų131.376%0.75576%0.76SS**  trans-165.9145.5160.658.20000113.1
635D26.9Very low29.1Very low159 Ų159136 Ų13685%0.8577%0.77SS**  trans-74152172-51.6-81.1000113
636C27.7Very low29Very low128 Ų128136.6 Ų136.687%0.86578%0.776SS**  trans-140.5110.8165.1-81.70000110.8
637T26.2Very low28.8Very low136 Ų136137.5 Ų137.583%0.83479%0.785SS**  trans-111.7150.2165.151.10000110
638S28Very low28.8Very low117 Ų117136.2 Ų136.282%0.81879%0.788SS**  trans65.3139.4173.7-163.30000117.4
639S27.3Very low28.9Very low110 Ų110134.3 Ų134.377%0.76979%0.787SS**  trans-146.179.8157.466.40000109.6
640S25.9Very low28.5Very low88 Ų88135.2 Ų135.262%0.61579%0.794SS**  trans-63.8141152.2-177.40000108.6
641F25Very low27.8Very low193 Ų193137.1 Ų137.185%0.84680%0.799SS**  trans-148.2120.5155.7-98.1-69.9000110.1
642D24.5Very low28Very low141 Ų141136.5 Ų136.575%0.75480%0.797SS**  trans-62.5149.6168.1-59.8-82.9000111.2
643I28.7Very low28.3Very low131 Ų131140.3 Ų140.367%0.67280%0.801SS**  trans-120.8105161.7-58.8-178.9000107.8F645I643-F645 HydrophobicContact CB-CE2 4.21Å; I643-F645 HydrophobicContact CG2-CD2 4.07Å; I643-F645 HydrophobicContact CG2-CE1 4.29Å; I643-F645 HydrophobicContact CG2-CE2 3.55Å; I643-F645 HydrophobicContact CG2-CZ 3.68Å
644V25.8Very low28Very low129 Ų129138.8 Ų138.878%0.78280%0.8SS**  trans-73.7133.6165.6179.70000107.9
645F26.7Very low28.2Very low179 Ų179141.1 Ų141.179%0.78580%0.804SS**  trans-104.5114.5169.9-75.5-84.2000109.3I643I643-F645 HydrophobicContact CB-CE2 4.21Å; I643-F645 HydrophobicContact CG2-CD2 4.07Å; I643-F645 HydrophobicContact CG2-CE1 4.29Å; I643-F645 HydrophobicContact CG2-CE2 3.55Å; I643-F645 HydrophobicContact CG2-CZ 3.68Å
646E26.5Very low28.7Very low182 Ų182138.4 Ų138.485%0.8580%0.804SS**  trans-70.6145165.8-67.2-175.8117.700110
647D25.4Very low28.9Very low159 Ų159140.1 Ų140.185%0.8580%0.804SS**  trans-80.7146.8177.7-162.94.6000111
648S31.6Very low29.3Very low112 Ų112137.7 Ų137.778%0.78380%0.798SS**  trans-16176.8-176.4-77.70000111.6
649G26.5Very low29.5Very low72 Ų72139.4 Ų139.474%0.74280%0.798SS**  trans-79.7140.3169.500000112.9
650C29.8Very low29.8Very low131 Ų131139.4 Ų139.489%0.88579%0.793SS**  trans-144.590.4169.3-78.30000109.5
651D30.3Very low30Very low148 Ų148141.9 Ų141.979%0.79180%0.799SS**  trans-77.7140160.3-64.2-52.8000109.5
652R30.9Very low30.3Very low243 Ų243138 Ų13892%0.91780%0.796SS**  trans-164.9134.8149.5-118.1173.3-170-173.52.2113.5
653D31.4Very low30.6Very low146 Ų146135.3 Ų135.378%0.78179%0.794SS**  trans-88.2161.2-172.1-33.9-91.2000112.4
654A34.7Very low30.6Very low103 Ų103135.1 Ų135.185%0.85180%0.799SS**  trans-160.586.2163.100000110.9
655D32.4Very low30.8Very low157 Ų157134.3 Ų134.384%0.8480%0.799SS**  trans-72.5146.5167.3-60.2-58000111.7
656A36.8Very low31Very low102 Ų102130.2 Ų130.284%0.84380%0.798SS**  trans-166.494.1157.600000111
657D33.2Very low31.1Very low164 Ų164126.8 Ų126.888%0.87780%0.801SS**  trans-73.1155.2166.2-72.6-57.8000112.3
658A34.5Very low31.3Very low84 Ų84122.6 Ų122.669%0.69480%0.795SS**  158.1124.712900000113.6
659D31.6Very low31.9Very low153 Ų153123.9 Ų123.982%0.81880%0.801SS**  46.6133.8122.2-66.64.3000121.6
660T33.2Very low31.9Very low111 Ų111124.2 Ų124.268%0.68180%0.804SS**  cis-162.3179.5-11.8-31.80000109.1
661D29.4Very low31.7Very low139 Ų139124.3 Ų124.374%0.74380%0.801SS**  trans76.3105.1148-73.9-26.7000122.7
662S31.9Very low31.6Very low111 Ų111124 Ų12478%0.77680%0.798SS**  96.8124.4118.378.80000122.2
663A30.3Very low31.5Very low85 Ų85118.3 Ų118.370%0.70279%0.791SS**  trans69.8112.3135.300000122.9
664T29.9Very low31.3Very low128 Ų128117.9 Ų117.979%0.78578%0.784SS**  trans69.6107.9133.453.80000122.4
665S29.5Very low31.1Very low112 Ų112119.7 Ų119.778%0.78377%0.773SS**  79131124.771.50000123.1
666A30.3Very low31Very low93 Ų93121 Ų12177%0.76977%0.771SS**  trans73.5101.7138.900000121.5
667A29.2Very low30.6Very low109 Ų109120.7 Ų120.790%0.90176%0.763SS**  56125.7124.500000122.1
668G29.2Very low30.5Very low71 Ų71118 Ų11873%0.73276%0.757SS**  trans130.7123.2149.800000115.1
669P44.8Very low30.3Very low140 Ų140118.8 Ų118.891%0.90976%0.757SS**  trans-87.8144.4177.134.4-33.4000112.8
670G26.3Very low30.2Very low79 Ų79116.5 Ų116.581%0.81475%0.753SS**  trans-154.4117.117500000112.7
671T26.1Very low30.2Very low132 Ų132115.6 Ų115.681%0.8175%0.752SS**  trans-93.9148.9-176-40.50000111.5
672L28.4Very low30.3Very low141 Ų141117.9 Ų117.974%0.73876%0.757SS**  trans147.1125.1131.2-77.9160.4000116.1
673T27.9Very low30.1Very low124 Ų124116.9 Ų116.976%0.76175%0.751SS**  trans70.5162140.464.40000119.6
674E28Very low30Very low137 Ų137123 Ų12364%0.6476%0.756SS**  cis-138.6144.217.8-88.8-159.1159.900116.9
675K30.2Very low29.9Very low142 Ų142123.5 Ų123.562%0.61775%0.749SS**  trans53.7123.7134.8-62.3177-165.6146.70124.1
676K29.4Very low29.9Very low185 Ų185125.2 Ų125.280%0.80474%0.744SS**  77.8146.8125.8-72-179.5-178.8-173.50119.5
677S29.2Very low29.7Very low95 Ų95129.5 Ų129.566%0.66475%0.749SS**  cis-163.4158-1.437.60000114.9
678S31.1Very low29.6Very low108 Ų108129.3 Ų129.376%0.75575%0.747SS**  trans66.8140.7151.4440000119.8
679S30.1Very low29.6Very low99 Ų99130.4 Ų130.469%0.69275%0.749SS**  cis-171.1154.6-844.90000113.3
680S30Very low29.9Very low106 Ų106129.4 Ų129.474%0.74174%0.742SS**  trans60.9150.6146.954.90000121.6
681S32Very low31Very low92 Ų92130.8 Ų130.864%0.64374%0.737SS**  cis176.4134.3-33.649.30000110
682H31.9Very low31.1Very low186 Ų186129.2 Ų129.286%0.86174%0.738SS**  trans62.4160.3163.7-62-56.5000117.1
683S29Very low31Very low91 Ų91126.8 Ų126.864%0.63674%0.738SS**  cis-172149.1-24.553.90000111.8
684R27.8Very low31.3Very low214 Ų214126.4 Ų126.481%0.80874%0.74SS**  trans63.7142151.5-74.6177.8174.9-168.70.8121.1
685Q28.2Very low31.3Very low138 Ų138125.4 Ų125.465%0.64575%0.748SS**  trans65.1152.8145.6-69171.9-92.900117.9
686E27.7Very low32.1Very low147 Ų147124.7 Ų124.769%0.68776%0.758SS**  cis-163159.8-18.9-119.3162.617400110.6
687E26.4Very low32.6Very low184 Ų184121.7 Ų121.786%0.8676%0.757SS**  trans57.9166.6151.1-68.9-158.3125.300124.3
688A27Very low32.7Very low104 Ų104128.5 Ų128.586%0.8677%0.768SS**  trans82.2110.7155.100000121.6
689A30Very low33.2Very low94 Ų94129.3 Ų129.378%0.77777%0.771SS**  trans-113.7-174.9145.800000107.8
690P51Low33.3Very low119 Ų119131.5 Ų131.577%0.77378%0.78SS**  cis-122.3-136-9.938.6-17.2000108.6
691P49.7Very low33.7Very low109 Ų109131 Ų13171%0.70878%0.783SS**  cis-135.4167.3-23.138.2-20000117.5
692A27.5Very low33.8Very low99 Ų99135.2 Ų135.282%0.81880%0.797SS**  trans68.5161.5141.500000124
693A27.4Very low33.8Very low90 Ų90132.8 Ų132.874%0.74480%0.795SS**  trans83.270.515800000121.8
694S33.3Very low34.1Very low115 Ų115136.3 Ų136.380%0.80481%0.806SS**  33.7110.7128.361.20000121.9
695S29.5Very low34.4Very low116 Ų116130.7 Ų130.781%0.81181%0.805SS**  trans-163.9151.5133.450.30000111.7
696P46.4Very low34.9Very low128 Ų128131.8 Ų131.883%0.83182%0.815SS**  trans-104.3142.9-169.837.2-33000115.3
697P38.6Very low35.4Very low121 Ų121130.2 Ų130.279%0.78682%0.817SS**  trans-126.3133.7163.235.7-22.2000115.2
698R31.7Very low35.8Very low238 Ų238126.1 Ų126.190%0.89882%0.815SS**  trans24.6136.6157.1-81.8-178.5173.7172.6-0.9122.6
699P41.3Very low36Very low125 Ų125127.4 Ų127.481%0.81281%0.812SS**  trans-84144.6173.135.5-34.7000113.6
700V33.6Very low36.5Very low146 Ų146131 Ų13189%0.88581%0.813SS**  trans-146.994.2163.8-174.80000110.6
701A38.3Very low35.7Very low96 Ų96131 Ų13179%0.79381%0.813SS**  trans-173149.5155.200000109.3
702L33Very low35.2Very low180 Ų180133.5 Ų133.594%0.94282%0.819SS**  trans-91.5126.4173-82.9159.2000110.1L704L702-L704 PolarHBondContact O-N 2.72Å
703T32.5Very low35.8Very low134 Ų134137.1 Ų137.182%0.82282%0.819SS**  trans-77.4114.1179.4-46.40000111
704L36.1Very low36.2Very low166 Ų166143.1 Ų143.187%0.86982%0.822SS**  trans-81.2125.8151.8-82.4167.3000107.8L702 L706L702-L704 PolarHBondContact O-N 2.72Å; L704-L706 PolarHBondContact O-N 3.35Å
705A34.3Very low36.2Very low95 Ų95143 Ų14379%0.78582%0.82SS**  trans-75.8106.3179.400000110
706L38.3Very low36.8Very low161 Ų161144.9 Ų144.984%0.84382%0.816SS**PPolyproline II helixtrans-64.1137.6161.5-75.8160.6000108.7L704L704-L706 PolarHBondContact O-N 3.35Å
707P38.7Very low37.2Very low115 Ų115142.1 Ų142.175%0.74780%0.798SS**PPolyproline II helixtrans-61.3150.817128.3-34.1000109.8T709P707-T709 PolarHBondContact O-N 2.84Å
708A33.4Very low38.2Very low98 Ų98139.5 Ų139.581%0.8178%0.783SS**PPolyproline II helixtrans-57.2123.2-173.300000111.6Q710A708-Q710 PolarHBondContact O-N 3.24Å; A708-Q710 VanDerWaalsContact O-N 3.08Å
709T31.1Very low40Very low131 Ų131132.4 Ų132.480%0.80477%0.767SS**  trans-57.5114.3176.4-36.20000109.2P707P707-T709 PolarHBondContact O-N 2.84Å
710Q39.9Very low42Very low170 Ų170128.4 Ų128.479%0.79474%0.737SS**  trans-60.1142.8165.9-68.1-174.6-2.100108.4A708 I712A708-Q710 PolarHBondContact O-N 3.24Å; A708-Q710 VanDerWaalsContact O-N 3.08Å; Q710-I712 PolarHBondContact O-N 3.29Å
711P35.9Very low44.6Very low119 Ų119123.2 Ų123.277%0.77371%0.706SS**  trans-59.3133.1-179.225.6-34000109.5Q713P711-Q713 PolarHBondContact O-N 3.15Å
712I39.2Very low47Very low161 Ų161119.3 Ų119.383%0.82667%0.671SS**  trans-59.1105.3179.1-61.9172.7000108Q710 R714Q710-I712 PolarHBondContact O-N 3.29Å; I712-R714 PolarHBondContact O-N 2.92Å; I712-R714 VanDerWaalsContact O-N 3.12Å
713Q40Very low49.7Very low174 Ų174110.9 Ų110.981%0.81363%0.627SS**  trans-68.8109.9178-175.7167.1-11.800107.7P711 C715P711-Q713 PolarHBondContact O-N 3.15Å; Q713-C715 PolarHBondContact O-N 3.11Å
714R34.4Very low52.5Low216 Ų216104.5 Ų104.582%0.81559%0.588SS**  trans-55.5128168.1-71.4178.8173.9171.1-4.1107.7I712 Q716I712-R714 PolarHBondContact O-N 2.92Å; I712-R714 VanDerWaalsContact O-N 3.12Å; R714-Q716 PolarHBondContact O-N 3.5Å
715C33.5Very low55.2Low114 Ų11497.2 Ų97.277%0.7755%0.549SS*.  trans-54.5115.2165.8-67.10000107.5Q713Q713-C715 PolarHBondContact O-N 3.11Å
716Q42.4Very low58Low154 Ų15493 Ų9372%0.7251%0.513SS*.PPolyproline II helixtrans-70.7133.6176.6-64.6-69.51.600107.8R714 S718R714-Q716 PolarHBondContact O-N 3.5Å; Q716-S718 PolarHBondContact O-N 3.05Å
717P55.5Low60.6Low70 Ų7087 Ų8746%0.45548%0.482SS..PPolyproline II helixtrans-57135.5172.125.7-34.5000109.4E521E521-P717 VanDerWaalsContact CD-CG 3.43Å; E521-P717 VanDerWaalsContact OE1-CG 3.27Å; E521-P717 WeakPolarHBondContact OE1-CG 3.41Å; E521-P717 WeakPolarHBondContact OE2-CG 3.47Å
718S59.1Low63.2Low67 Ų6784 Ų8447%0.46946%0.458SS..PPolyproline II helixtrans-66.6132179.210.20000109.4N485 Q716 K720N485-S718 PolarHBondContact ND2-OG 2.84Å; Q716-S718 PolarHBondContact O-N 3.05Å; S718-K720 PolarHBondContact O-N 2.85Å
719P69.3Low66Low88 Ų8880.5 Ų80.557%0.57143%0.425SS*.PPolyproline II helixtrans-59.5134-173.823-33.5000111.2V721P719-V721 PolarHBondContact O-N 2.87Å
720K83.3Confident69Low41 Ų4174.9 Ų74.918%0.17839%0.391CS..  trans-70.7110.3-176.2-59.6169.7-166.2169.40109.3E525 S718 Y722E525-K720 WeakPolarHBondContact OE1-CD 3.42Å; E525-K720 IonicContact OE1-NZ 3.51Å; E525-K720 PolarHBondContact OE1-NZ 2.76Å; E525-K720 IonicContact OE2-NZ 3.86Å; E525-K720 PolarHBondContact OE2-NZ 3.21Å; S718-K720 PolarHBondContact O-N 2.85Å; K720-Y722 HydrophobicContact CB-CE2 3.77Å
721V87.3Confident71.4Confident38 Ų3870.8 Ų70.823%0.2337%0.368CS..  trans-93.6132.9176.2-169.10000110.3L483 Q516 E517 P719L483-V721 HydrophobicContact CB-CB 4.44Å; L483-V721 HydrophobicContact CD1-CB 4.26Å; L483-V721 HydrophobicContact CD1-CG1 3.84Å; L483-V721 PolarHBondContact N-O 3.03Å; Q516-V721 HydrophobicContact CB-CG1 4.22Å; E517-V721 WeakPolarHBondContact O-CA 3.26Å; P719-V721 PolarHBondContact O-N 2.87Å
722Y89.3Confident73.8Confident14 Ų1471.7 Ų71.76%0.05536%0.36CS..EExtended strand (participates in β ladder)trans-113.4133.7175.3-63.2-96.1000109.8R480 I481 R482 Q516 E517 P519 Q524 K720R480-Y722 HydrophobicContact CG-CD1 4.05Å; R480-Y722 HydrophobicContact CG-CG 4.5Å; I481-Y722 CarbonylContact O-C 3.51Å; I481-Y722 WeakPolarHBondContact O-CA 3.49Å; R482-Y722 HydrophobicContact CB-CD1 4.06Å; R482-Y722 HydrophobicContact CB-CE1 3.88Å; R482-Y722 HydrophobicContact CG-CE1 4.19Å; Q516-Y722 CarbonylContact C-O 3.49Å; Q516-Y722 VanDerWaalsContact CA-O 3.32Å; Q516-Y722 WeakPolarHBondContact CA-O 3.32Å; E517-Y722 PolarHBondContact N-O 3.29Å; E517-Y722 PolarHBondContact O-N 3.4Å; P519-Y722 HydrophobicContact CG-CD2 3.83Å; P519-Y722 HydrophobicContact CG-CE2 3.86Å; Q524-Y722 HydrophobicContact CB-CE2 4.05Å; Q524-Y722 HydrophobicContact CG-CD2 4.49Å; Q524-Y722 HydrophobicContact CG-CE1 4.13Å; Q524-Y722 HydrophobicContact CG-CE2 3.91Å; K720-Y722 HydrophobicContact CB-CE2 3.77Å
723L90.1Very high76.2Confident2 Ų267 Ų671%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-99.1122.8171.9165.870.4000108.3R480 I481 L483 V493 M494 V497 A514 Q516 I725R480-L723 CarbonylContact C-O 3.41Å; R480-L723 WeakPolarHBondContact CA-O 3.48Å; I481-L723 HydrophobicContact CB-CB 4.43Å; I481-L723 HydrophobicContact CD1-CD2 4.35Å; I481-L723 PolarHBondContact N-O 3.41Å; I481-L723 PolarHBondContact O-N 2.61Å; L483-L723 HydrophobicContact CD1-CB 4.28Å; L483-L723 HydrophobicContact CD2-CB 3.77Å; L483-L723 HydrophobicContact CD2-CD2 4.04Å; L483-L723 HydrophobicContact CG-CB 3.94Å; V493-L723 HydrophobicContact CG1-CD2 3.62Å; M494-L723 HydrophobicContact SD-CD1 4.38Å; V497-L723 HydrophobicContact CG2-CD1 4.47Å; V497-L723 HydrophobicContact CG2-CD2 3.67Å; A514-L723 HydrophobicContact CB-CD1 4.33Å; Q516-L723 HydrophobicContact CG-CD1 4.39Å; L723-I725 HydrophobicContact CD1-CG1 4.47Å; L723-I725 HydrophobicContact CD2-CD1 4.25Å; L723-I725 HydrophobicContact CD2-CG1 4.39Å; L723-I725 HydrophobicContact CG-CG1 4.14Å
724Y92.1Very high78.8Confident1 Ų159.8 Ų59.80%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-100.7136.6172.7-73.3-100.3000109.6Y446 I478 K479 R480 A514 W515 E517 Q524Y446-Y724 AromaticContact CD1-CE1 3.92Å; Y446-Y724 HydrophobicContact CD1-CE1 3.92Å; Y446-Y724 AromaticContact CD2-CD1 3.92Å; Y446-Y724 HydrophobicContact CD2-CD1 3.92Å; Y446-Y724 AromaticContact CD2-CE1 3.68Å; Y446-Y724 HydrophobicContact CD2-CE1 3.68Å; Y446-Y724 HydrophobicContact CE2-CE1 4.3Å; Y446-Y724 HydrophobicContact CG-CD1 4.1Å; Y446-Y724 AromaticContact CG-CE1 3.46Å; Y446-Y724 HydrophobicContact CG-CE1 3.46Å; Y446-Y724 VanDerWaalsContact CG-CE1 3.46Å; I478-Y724 HydrophobicContact CG2-CD1 3.87Å; K479-Y724 CarbonylContact O-C 3.59Å; K479-Y724 WeakPolarHBondContact O-CA 3.36Å; R480-Y724 HydrophobicContact CB-CD1 4.02Å; R480-Y724 HydrophobicContact CB-CE1 3.85Å; R480-Y724 VanDerWaalsContact CD-CZ 3.4Å; R480-Y724 WeakPolarHBondContact CD-OH 3.3Å; R480-Y724 HydrophobicContact CG-CD1 4.1Å; R480-Y724 HydrophobicContact CG-CD2 4.34Å; R480-Y724 HydrophobicContact CG-CE1 3.67Å; R480-Y724 HydrophobicContact CG-CE2 3.92Å; R480-Y724 HydrophobicContact CG-CG 4.43Å; A514-Y724 CarbonylContact C-O 3.59Å; A514-Y724 WeakPolarHBondContact CA-O 3.39Å; A514-Y724 WeakPolarHBondContact CB-O 3.44Å; W515-Y724 VanDerWaalsContact CE2-CB 3.41Å; W515-Y724 AromaticContact CE2-CG 3.78Å; W515-Y724 AromaticContact CZ2-CD1 3.96Å; W515-Y724 HydrophobicContact CZ2-CD1 3.96Å; W515-Y724 AromaticContact CZ2-CG 3.81Å; W515-Y724 HydrophobicContact CZ2-CG 3.81Å; W515-Y724 PolarHBondContact N-O 3.5Å; W515-Y724 AromaticContact NE1-CD2 3.77Å; W515-Y724 AromaticContact NE1-CG 3.82Å; W515-Y724 PolarHBondContact O-N 3.18Å; E517-Y724 HydrophobicContact CB-CD2 4.31Å; E517-Y724 HydrophobicContact CB-CE2 3.92Å; E517-Y724 HydrophobicContact CG-CD2 4.34Å; E517-Y724 HydrophobicContact CG-CE2 4.13Å; Q524-Y724 PolarHBondContact OE1-OH 3.42Å
725I91.3Very high81.6Confident13 Ų1349.5 Ų49.57%0.06726%0.263CS..EExtended strand (participates in β ladder)trans-127.8116176.4-51.7176.9000108.5I478 K479 I481 V497 Y511 A514 L723 M727I478-I725 CarbonylContact C-O 3.31Å; I478-I725 WeakPolarHBondContact CA-O 3.4Å; K479-I725 PolarHBondContact N-O 3.24Å; K479-I725 PolarHBondContact O-N 3.43Å; I481-I725 HydrophobicContact CD1-CD1 3.83Å; V497-I725 HydrophobicContact CG2-CD1 3.99Å; Y511-I725 HydrophobicContact CD2-CG2 4.06Å; Y511-I725 HydrophobicContact CE2-CG2 4.06Å; A514-I725 HydrophobicContact CB-CG1 4.36Å; L723-I725 HydrophobicContact CD1-CG1 4.47Å; L723-I725 HydrophobicContact CD2-CD1 4.25Å; L723-I725 HydrophobicContact CD2-CG1 4.39Å; L723-I725 HydrophobicContact CG-CG1 4.14Å; I725-M727 HydrophobicContact CG2-CG 3.98Å; I725-M727 HydrophobicContact CG2-SD 4.43Å
726Q93.4Very high84.4Confident6 Ų648 Ų483%0.02824%0.243CC..EExtended strand (participates in β ladder)trans-90.6124.7176.9-175.3-170.37.300110.2Y476 I478 F512 N513 W515Y476-Q726 HydrophobicContact CD1-CG 3.77Å; Y476-Q726 VanDerWaalsContact CD1-NE2 3.27Å; Y476-Q726 VanDerWaalsContact CD2-NE2 3.3Å; Y476-Q726 HydrophobicContact CE1-CG 4.47Å; Y476-Q726 VanDerWaalsContact CE1-NE2 3.31Å; Y476-Q726 VanDerWaalsContact CE2-NE2 3.34Å; Y476-Q726 HydrophobicContact CG-CG 3.85Å; Y476-Q726 VanDerWaalsContact CG-NE2 3.26Å; I478-Q726 HydrophobicContact CD1-CG 4.4Å; I478-Q726 HydrophobicContact CG1-CB 4.48Å; I478-Q726 HydrophobicContact CG1-CG 4.33Å; F512-Q726 HydrophobicContact CB-CB 4.28Å; F512-Q726 HydrophobicContact CB-CG 3.97Å; F512-Q726 PolarHBondContact N-O 3.08Å; N513-Q726 HydrophobicContact CB-CB 4.26Å; N513-Q726 PolarHBondContact N-O 2.85Å; N513-Q726 PolarHBondContact ND2-OE1 2.81Å; N513-Q726 PolarHBondContact O-N 3.21Å; W515-Q726 HydrophobicContact CZ3-CB 4.16Å
727M92.6Very high86.8Confident36 Ų3643 Ų4318%0.17722%0.221CC..EExtended strand (participates in β ladder)trans-131.6162.2-175.6-56.1-175.7-61.800111.2A477 K479 I509 R510 I725 L729A477-M727 HydrophobicContact CB-CB 4.48Å; A477-M727 PolarHBondContact N-O 2.81Å; A477-M727 WeakPolarHBondContact O-CB 3.47Å; A477-M727 PolarHBondContact O-N 3.04Å; K479-M727 HydrophobicContact CB-CE 4.17Å; I509-M727 HydrophobicContact CG2-CB 3.86Å; I509-M727 HydrophobicContact CG2-SD 4.41Å; R510-M727 WeakPolarHBondContact O-CA 3.44Å; I725-M727 HydrophobicContact CG2-CG 3.98Å; I725-M727 HydrophobicContact CG2-SD 4.43Å; M727-L729 PolarHBondContact O-N 2.89Å
728Q93.4Very high88.6Confident52 Ų5240.8 Ų40.824%0.24320%0.204CC..EExtended strand (participates in β ladder)trans-57.2125.1171.6-177.9173.48.500111.1I509 R510 F512 C730I509-Q728 HydrophobicContact CG2-CB 4.33Å; R510-Q728 HydrophobicContact CB-CB 4.13Å; R510-Q728 PolarHBondContact O-N 2.82Å; F512-Q728 HydrophobicContact CE2-CB 4.01Å; Q728-C730 PolarHBondContact O-N 2.81Å
729L93.3Very high90.3Very high24 Ų2437.9 Ų37.913%0.12618%0.183CC..  trans-65.1127.5168-176.565.8000109.8L456 E466 N475 A477 M727 M786L456-L729 HydrophobicContact CD1-CD1 3.81Å; E466-L729 HydrophobicContact CB-CD1 4.47Å; E466-L729 HydrophobicContact CG-CD1 4.03Å; E466-L729 HydrophobicContact CG-CD2 3.93Å; E466-L729 WeakPolarHBondContact OE1-CD2 3.27Å; N475-L729 HydrophobicContact CB-CD2 3.63Å; N475-L729 WeakPolarHBondContact O-CB 3.48Å; A477-L729 HydrophobicContact CB-CD1 4.36Å; M727-L729 PolarHBondContact O-N 2.89Å; L729-M786 HydrophobicContact CD2-CE 4.12Å; L729-M786 HydrophobicContact CG-CE 4.1Å
730C92.9Very high91.3Very high13 Ų1336.9 Ų36.99%0.08818%0.182CC..  trans-105.4172.7174-640000109.7Q728 F783 F784Q728-C730 PolarHBondContact O-N 2.81Å; C730-F783 HydrophobicContact CB-CB 3.76Å; C730-F783 HydrophobicContact CB-CG 4.4Å; C730-F784 WeakPolarHBondContact CA-O 3.19Å; C730-F784 VanDerWaalsContact CB-O 3.29Å; C730-F784 WeakPolarHBondContact CB-O 3.41Å
731R90.8Very high91.6Very high84 Ų8439.4 Ų39.432%0.31720%0.195SC..  trans-56.3145.9168.5-70.9176.566.11432.7109.7E733 F784 T785 M786 D788R731-E733 IonicContact CZ-OE2 3.82Å; R731-E733 IonicContact NE-OE2 3.92Å; R731-E733 PolarHBondContact NE-OE2 3.46Å; R731-E733 IonicContact NH2-OE2 3.64Å; R731-E733 PolarHBondContact NH2-OE2 2.74Å; R731-E733 PolarHBondContact O-N 3.36Å; R731-F784 PolarHBondContact N-O 2.85Å; R731-T785 VanDerWaalsContact CD-O 3.25Å; R731-T785 WeakPolarHBondContact CD-O 3.31Å; R731-T785 WeakPolarHBondContact CG-O 3.45Å; R731-M786 HydrophobicContact CG-SD 3.79Å; R731-D788 VanDerWaalsContact CD-OD1 3.31Å; R731-D788 WeakPolarHBondContact CD-OD1 3.35Å; R731-D788 IonicContact CZ-OD1 3.83Å; R731-D788 IonicContact NE-OD1 2.72Å; R731-D788 IonicContact NH1-OD1 2.75Å; R731-D788 PolarHBondContact NH1-OD1 3.41Å; R731-D788 IonicContact NH1-OD2 2.74Å; R731-D788 PolarHBondContact NH1-OD2 2.83Å
732K87Confident91.8Very high138 Ų13840.6 Ų40.660%0.620%0.195SC*.SBendtrans-58.8-34.7172.9-70.4-172.9171.9-1710112Q454 N734Q454-K732 VanDerWaalsContact CD-NZ 3.32Å; K732-N734 PolarHBondContact O-N 2.84Å
733E89.9Confident91.7Very high63 Ų6341.7 Ų41.729%0.29420%0.204SC..  trans-74.9108.2175.8-60.4164.5133.300109.5R731 Q741R731-E733 IonicContact CZ-OE2 3.82Å; R731-E733 IonicContact NE-OE2 3.92Å; R731-E733 PolarHBondContact NE-OE2 3.46Å; R731-E733 IonicContact NH2-OE2 3.64Å; R731-E733 PolarHBondContact NH2-OE2 2.74Å; R731-E733 PolarHBondContact O-N 3.36Å; E733-Q741 PolarHBondContact OE1-NE2 2.73Å
734N92.9Very high91.6Very high21 Ų2145 Ų4511%0.11222%0.222CC..BIsolated β-bridgetrans-87176.416859.376.6000110.3K732 K736 D737 W738 P779 I782 F783K732-N734 PolarHBondContact O-N 2.84Å; N734-K736 VanDerWaalsContact C-N 3.29Å; N734-K736 PolarHBondContact O-N 2.89Å; N734-K736 WeakPolarHBondContact OD1-CB 3.38Å; N734-K736 PolarHBondContact OD1-N 3.24Å; N734-K736 VanDerWaalsContact OD1-N 3.16Å; N734-D737 PolarHBondContact ND2-OD2 2.71Å; N734-D737 PolarHBondContact O-N 2.62Å; N734-D737 PolarHBondContact OD1-N 2.81Å; N734-D737 PolarHBondContact OD1-OD2 3Å; N734-W738 PolarHBondContact O-N 2.64Å; N734-P779 PolarHBondContact OD1-O 3.41Å; N734-I782 WeakPolarHBondContact CB-O 3.42Å; N734-F783 HydrophobicContact CB-CD1 3.77Å; N734-F783 HydrophobicContact CB-CE1 3.97Å; N734-F783 HydrophobicContact CB-CG 4.43Å
735L94.4Very high91.1Very high0 Ų049.1 Ų49.10%025%0.248CC..Hα-helixtrans-60.9-34.8-174.9-176.963000113.2D737 W738 M739 I756 I760 P779 I782 F784 I854 L858L735-D737 VanDerWaalsContact C-N 3.26Å; L735-D737 PolarHBondContact O-N 3.24Å; L735-W738 HydrophobicContact CD1-CD2 4.43Å; L735-W738 HydrophobicContact CD1-CE3 4.05Å; L735-M739 HydrophobicContact CD1-CG 4.26Å; L735-M739 HydrophobicContact CG-CE 4.2Å; L735-M739 HydrophobicContact CG-CG 4.45Å; L735-M739 HydrophobicContact CG-SD 4.48Å; L735-M739 WeakPolarHBondContact O-CB 3.49Å; L735-M739 VanDerWaalsContact O-CG 3.27Å; L735-M739 WeakPolarHBondContact O-CG 3.44Å; L735-M739 PolarHBondContact O-N 3.16Å; L735-I756 HydrophobicContact CD1-CG2 3.98Å; L735-I756 HydrophobicContact CD2-CG2 4.48Å; L735-I760 HydrophobicContact CD2-CD1 3.94Å; L735-P779 HydrophobicContact CB-CB 4.24Å; L735-P779 WeakPolarHBondContact CB-O 3.41Å; L735-P779 HydrophobicContact CD2-CB 4.41Å; L735-P779 HydrophobicContact CG-CB 4.28Å; L735-P779 PolarHBondContact N-O 3.23Å; L735-I782 HydrophobicContact CB-CB 4.04Å; L735-I782 HydrophobicContact CB-CG2 4.06Å; L735-I782 HydrophobicContact CD2-CB 4.27Å; L735-I782 HydrophobicContact CD2-CD1 4.21Å; L735-I782 HydrophobicContact CD2-CG2 4Å; L735-I782 PolarHBondContact N-O 3.02Å; L735-F784 HydrophobicContact CB-CE2 4.4Å; L735-F784 HydrophobicContact CD1-CE2 4.22Å; L735-F784 HydrophobicContact CD1-CZ 3.79Å; L735-I854 HydrophobicContact CD2-CG2 4.27Å; L735-L858 HydrophobicContact CD1-CD2 3.92Å; L735-L858 HydrophobicContact CD2-CD2 4.36Å
736K92.3Very high90.7Very high83 Ų8355.4 Ų55.436%0.36128%0.282SS..Hα-helixtrans-58-42173.8-176.7-174.9133.2-80.60111.1N734 A740 P779N734-K736 VanDerWaalsContact C-N 3.29Å; N734-K736 PolarHBondContact O-N 2.89Å; N734-K736 WeakPolarHBondContact OD1-CB 3.38Å; N734-K736 PolarHBondContact OD1-N 3.24Å; N734-K736 VanDerWaalsContact OD1-N 3.16Å; K736-A740 WeakPolarHBondContact O-CB 3.49Å; K736-A740 PolarHBondContact O-N 3.05Å; K736-P779 HydrophobicContact CB-CB 3.94Å; K736-P779 PolarHBondContact N-O 2.76Å
737D92.6Very high90.4Very high49 Ų4959 Ų5926%0.26230%0.299SS..Hα-helixtrans-81.2-38-174.7-55.7-31000111N734 L735 M739 A740 Q741N734-D737 PolarHBondContact ND2-OD2 2.71Å; N734-D737 PolarHBondContact O-N 2.62Å; N734-D737 PolarHBondContact OD1-N 2.81Å; N734-D737 PolarHBondContact OD1-OD2 3Å; L735-D737 VanDerWaalsContact C-N 3.26Å; L735-D737 PolarHBondContact O-N 3.24Å; D737-M739 PolarHBondContact O-N 3.45Å; D737-A740 PolarHBondContact O-N 2.72Å; D737-A740 VanDerWaalsContact O-N 3.14Å; D737-Q741 WeakPolarHBondContact O-CG 3.39Å; D737-Q741 PolarHBondContact O-N 2.8Å
738W94.1Very high90.2Very high24 Ų2458.2 Ų58.29%0.09129%0.294CS..Hα-helixtrans-54.4-41.1167.6-178.9104.2000112N734 L735 R742 Q752 I756 F784 L858N734-W738 PolarHBondContact O-N 2.64Å; L735-W738 HydrophobicContact CD1-CD2 4.43Å; L735-W738 HydrophobicContact CD1-CE3 4.05Å; W738-R742 WeakPolarHBondContact O-CD 3.47Å; W738-R742 WeakPolarHBondContact O-CG 3.31Å; W738-R742 PolarHBondContact O-NH1 2.97Å; W738-Q752 HydrophobicContact CZ2-CG 4.17Å; W738-I756 HydrophobicContact CH2-CD1 3.84Å; W738-I756 HydrophobicContact CZ2-CD1 3.59Å; W738-I756 HydrophobicContact CZ3-CD1 4.41Å; W738-F784 HydrophobicContact CB-CE2 3.73Å; W738-F784 HydrophobicContact CB-CZ 4.24Å; W738-F784 AromaticContact CD1-CE2 3.79Å; W738-F784 AromaticContact CD1-CZ 3.79Å; W738-F784 HydrophobicContact CD2-CZ 4.34Å; W738-F784 AromaticContact CG-CE2 3.83Å; W738-F784 HydrophobicContact CG-CE2 3.83Å; W738-F784 AromaticContact CG-CZ 3.9Å; W738-F784 HydrophobicContact CG-CZ 3.9Å; W738-L858 HydrophobicContact CZ3-CD2 4.37Å
739M93.6Very high90Very high5 Ų562.1 Ų62.13%0.02531%0.312CS..Hα-helixtrans-72.8-36.6176.1-75.8-165.6-56.500113L735 D737 Q741 R742 R748 P779 E857 L858L735-M739 HydrophobicContact CD1-CG 4.26Å; L735-M739 HydrophobicContact CG-CE 4.2Å; L735-M739 HydrophobicContact CG-CG 4.45Å; L735-M739 HydrophobicContact CG-SD 4.48Å; L735-M739 WeakPolarHBondContact O-CB 3.49Å; L735-M739 VanDerWaalsContact O-CG 3.27Å; L735-M739 WeakPolarHBondContact O-CG 3.44Å; L735-M739 PolarHBondContact O-N 3.16Å; D737-M739 PolarHBondContact O-N 3.45Å; M739-Q741 VanDerWaalsContact C-N 3.26Å; M739-Q741 PolarHBondContact O-N 2.83Å; M739-R742 CarbonylContact O-C 3.55Å; M739-R742 PolarHBondContact O-N 2.99Å; M739-R742 VanDerWaalsContact O-N 3.08Å; M739-R748 VanDerWaalsContact CB-NH2 3.31Å; M739-R748 PolarHBondContact O-NH2 3.35Å; M739-P779 HydrophobicContact CE-CB 3.56Å; M739-P779 HydrophobicContact CE-CG 3.61Å; M739-E857 HydrophobicContact CE-CB 4.38Å; M739-E857 VanDerWaalsContact CE-CD 3.41Å; M739-E857 HydrophobicContact CE-CG 3.73Å; M739-E857 VanDerWaalsContact CE-OE1 3.24Å; M739-E857 WeakPolarHBondContact CE-OE1 3.44Å; M739-E857 HydrophobicContact SD-CB 4.26Å; M739-E857 HydrophobicContact SD-CG 3.83Å; M739-E857 VanDerWaalsContact SD-O 3.39Å; M739-L858 HydrophobicContact SD-CD2 4.14Å; M739-L858 HydrophobicContact SD-CG 4.34Å
740A90Very high89.8Confident67 Ų6764.2 Ų64.255%0.55432%0.323SS*.Hα-helixtrans-73-14.817700000114K736 D737 C743K736-A740 WeakPolarHBondContact O-CB 3.49Å; K736-A740 PolarHBondContact O-N 3.05Å; D737-A740 PolarHBondContact O-N 2.72Å; D737-A740 VanDerWaalsContact O-N 3.14Å; A740-C743 PolarHBondContact O-SG 3.44Å
741Q89.8Confident89.6Confident95 Ų9568.6 Ų68.644%0.44435%0.346SS..THydrogen-bonded Turntrans-83.7-17.6166.9-68.8169.9-1.600113.1E733 D737 M739E733-Q741 PolarHBondContact OE1-NE2 2.73Å; D737-Q741 WeakPolarHBondContact O-CG 3.39Å; D737-Q741 PolarHBondContact O-N 2.8Å; M739-Q741 VanDerWaalsContact C-N 3.26Å; M739-Q741 PolarHBondContact O-N 2.83Å
742R91.2Very high89.6Confident62 Ų6268.7 Ų68.723%0.23435%0.35CS..  trans-118.773.4-170.5-67.9169.9-179.266.43.5109.8W738 M739 Q747 R748 P861W738-R742 WeakPolarHBondContact O-CD 3.47Å; W738-R742 WeakPolarHBondContact O-CG 3.31Å; W738-R742 PolarHBondContact O-NH1 2.97Å; M739-R742 CarbonylContact O-C 3.55Å; M739-R742 PolarHBondContact O-N 2.99Å; M739-R742 VanDerWaalsContact O-N 3.08Å; R742-Q747 HydrophobicContact CB-CB 3.97Å; R742-Q747 HydrophobicContact CG-CB 4.09Å; R742-R748 PolarHBondContact O-NE 2.92Å; R742-R748 PolarHBondContact O-NH2 3.01Å; R742-R748 VanDerWaalsContact O-NH2 3.11Å; R742-P861 WeakPolarHBondContact O-CB 3.42Å
743C89.1Confident89.9Confident37 Ų3762.1 Ų62.125%0.2532%0.321CS..  trans-98.86.1-171.9-58.70000113.8A740 Q747 F862A740-C743 PolarHBondContact O-SG 3.44Å; C743-Q747 VanDerWaalsContact N-OE1 3.16Å; C743-F862 WeakPolarHBondContact CB-O 3.48Å; C743-F862 PolarHBondContact SG-O 3.36Å
744L86.8Confident90Very high72 Ų7259.2 Ų59.238%0.37731%0.308SS..SBendtrans-116.9146.4174.8-59.8175.6000110.6D746 Q747L744-D746 VanDerWaalsContact C-N 3.27Å; L744-D746 PolarHBondContact O-N 3.29Å; L744-Q747 HydrophobicContact CB-CG 4.13Å; L744-Q747 WeakPolarHBondContact O-CB 3.15Å; L744-Q747 PolarHBondContact O-N 3.44Å
745P81.6Confident90Very high87 Ų8760.4 Ų60.457%0.56531%0.314SS*.G310 helixtrans-55.9-39.5177-26.736.1000113.4Q747 R748 P861P745-Q747 PolarHBondContact O-N 3Å; P745-R748 PolarHBondContact O-N 3Å; P745-P861 HydrophobicContact CG-CG 4.24Å
746D84Confident90Very high145 Ų14560.9 Ų60.978%0.77532%0.316SS*.G310 helixtrans-65.4-10.1179.8-40.2-46.6000113.3L744L744-D746 VanDerWaalsContact C-N 3.27Å; L744-D746 PolarHBondContact O-N 3.29Å
747Q86.1Confident90.2Very high82 Ų8256.9 Ų56.938%0.38330%0.299SS..G310 helixtrans-101.65.1174.9-57.1175.6-5300112.8R742 C743 L744 P745R742-Q747 HydrophobicContact CB-CB 3.97Å; R742-Q747 HydrophobicContact CG-CB 4.09Å; C743-Q747 VanDerWaalsContact N-OE1 3.16Å; L744-Q747 HydrophobicContact CB-CG 4.13Å; L744-Q747 WeakPolarHBondContact O-CB 3.15Å; L744-Q747 PolarHBondContact O-N 3.44Å; P745-Q747 PolarHBondContact O-N 3Å
748R88.3Confident90.3Very high19 Ų1955 Ų557%0.07229%0.289CS..SBendtrans-123.864.3179.8-62.1-59.7-16995.78.2109.6M739 R742 P745 L750 E857 L858 P861M739-R748 VanDerWaalsContact CB-NH2 3.31Å; M739-R748 PolarHBondContact O-NH2 3.35Å; R742-R748 PolarHBondContact O-NE 2.92Å; R742-R748 PolarHBondContact O-NH2 3.01Å; R742-R748 VanDerWaalsContact O-NH2 3.11Å; P745-R748 PolarHBondContact O-N 3Å; R748-L750 PolarHBondContact O-N 2.69Å; R748-E857 PolarHBondContact NH1-O 2.69Å; R748-L858 VanDerWaalsContact NH1-C 3.31Å; R748-L858 PolarHBondContact NH1-O 2.95Å; R748-P861 HydrophobicContact CG-CB 4.02Å; R748-P861 HydrophobicContact CG-CG 4.16Å
749E89.3Confident90.3Very high135 Ų13555.5 Ų55.563%0.63129%0.293SS*.  trans-57.5125.1174.9-67.4-172.5174.600110.3N751 Q752 C753E749-N751 VanDerWaalsContact C-N 3.28Å; E749-N751 PolarHBondContact O-N 2.81Å; E749-Q752 HydrophobicContact CB-CB 4.28Å; E749-Q752 PolarHBondContact O-N 2.86Å; E749-C753 PolarHBondContact O-N 2.97Å
750L88.7Confident90.5Very high68 Ų6855.3 Ų55.336%0.35629%0.291SS..Hα-helixtrans-50.2-48.1-173.7178.358.1000112.1R748 Q752 C753 L754 L859 E891R748-L750 PolarHBondContact O-N 2.69Å; L750-Q752 VanDerWaalsContact C-N 3.34Å; L750-Q752 PolarHBondContact O-N 3.03Å; L750-C753 PolarHBondContact O-N 3.46Å; L750-L754 HydrophobicContact CD1-CD1 3.72Å; L750-L754 HydrophobicContact CD1-CG 3.9Å; L750-L754 HydrophobicContact CG-CD1 3.83Å; L750-L754 HydrophobicContact CG-CG 4.37Å; L750-L754 WeakPolarHBondContact O-CB 3.39Å; L750-L754 WeakPolarHBondContact O-CG 3.36Å; L750-L754 PolarHBondContact O-N 2.9Å; L750-L859 HydrophobicContact CD1-CD2 3.49Å; L750-L859 VanDerWaalsContact CD1-CD2 3.49Å; L750-E891 WeakPolarHBondContact CD1-OE1 3.48Å
751N89.4Confident90.8Very high105 Ų10552.1 Ų52.156%0.56127%0.265SS*.Hα-helixtrans-64.7-35.2-178.2-64.40.5000112.8E749 D755 L921E749-N751 VanDerWaalsContact C-N 3.28Å; E749-N751 PolarHBondContact O-N 2.81Å; N751-D755 WeakPolarHBondContact O-CB 3.44Å; N751-D755 PolarHBondContact O-N 2.92Å; N751-L921 HydrophobicContact CB-CD2 3.77Å
752Q90.6Very high91Very high85 Ų8550.6 Ų50.640%0.39726%0.258SS..Hα-helixtrans-70.7-42175.4177.917076.900111W738 E749 L750 I756W738-Q752 HydrophobicContact CZ2-CG 4.17Å; E749-Q752 HydrophobicContact CB-CB 4.28Å; E749-Q752 PolarHBondContact O-N 2.86Å; L750-Q752 VanDerWaalsContact C-N 3.34Å; L750-Q752 PolarHBondContact O-N 3.03Å; Q752-I756 HydrophobicContact CG-CD1 4.05Å; Q752-I756 WeakPolarHBondContact O-CB 3.43Å; Q752-I756 VanDerWaalsContact O-CG1 3.29Å; Q752-I756 WeakPolarHBondContact O-CG1 3.41Å; Q752-I756 PolarHBondContact O-N 2.74Å
753C93.2Very high91.2Very high0 Ų047.7 Ų47.70%025%0.247CC..Hα-helixtrans-65.2-38.3176.5-70.70000112.4E749 L750 F757 L858 L859E749-C753 PolarHBondContact O-N 2.97Å; L750-C753 PolarHBondContact O-N 3.46Å; C753-F757 WeakPolarHBondContact O-CB 3.49Å; C753-F757 PolarHBondContact O-N 3.31Å; C753-L858 HydrophobicContact CB-CB 4.26Å; C753-L858 PolarHBondContact SG-O 2.91Å; C753-L859 HydrophobicContact CB-CD2 3.78Å
754L93Very high91.5Very high3 Ų345.9 Ų45.92%0.01624%0.235CC..Hα-helixtrans-73.8-35.9176.7-67.9175.5000113.2L750 F757 L758 L855 L917 F918 L921L750-L754 HydrophobicContact CD1-CD1 3.72Å; L750-L754 HydrophobicContact CD1-CG 3.9Å; L750-L754 HydrophobicContact CG-CD1 3.83Å; L750-L754 HydrophobicContact CG-CG 4.37Å; L750-L754 WeakPolarHBondContact O-CB 3.39Å; L750-L754 WeakPolarHBondContact O-CG 3.36Å; L750-L754 PolarHBondContact O-N 2.9Å; L754-F757 PolarHBondContact O-N 2.88Å; L754-L758 VanDerWaalsContact O-CB 3.28Å; L754-L758 WeakPolarHBondContact O-CB 3.26Å; L754-L758 PolarHBondContact O-N 2.81Å; L754-L855 HydrophobicContact CD2-CD1 4.03Å; L754-L917 HydrophobicContact CD1-CD1 3.94Å; L754-L917 HydrophobicContact CD1-CD2 4.36Å; L754-L917 HydrophobicContact CD1-CG 3.97Å; L754-L917 HydrophobicContact CD2-CD2 3.88Å; L754-L917 HydrophobicContact CD2-CG 4.34Å; L754-F918 HydrophobicContact CB-CE1 4.23Å; L754-F918 HydrophobicContact CD2-CE1 4.05Å; L754-L921 HydrophobicContact CB-CD1 3.75Å
755D91.6Very high91.9Very high46 Ų4645 Ų4525%0.24623%0.23CC..Hα-helixtrans-65.4-44.2173-17989.8000111.4N751 F757 L758 Q759N751-D755 WeakPolarHBondContact O-CB 3.44Å; N751-D755 PolarHBondContact O-N 2.92Å; D755-F757 VanDerWaalsContact C-N 3.33Å; D755-F757 PolarHBondContact O-N 2.89Å; D755-L758 PolarHBondContact O-N 3.5Å; D755-Q759 WeakPolarHBondContact O-CG 3.22Å; D755-Q759 PolarHBondContact O-N 3.15Å; D755-Q759 PolarHBondContact OD2-NE2 3.13Å
756I94.7Very high92.5Very high9 Ų942.3 Ų42.35%0.04621%0.21CC..Hα-helixtrans-58.6-45.8172.7-70.1168.7000110.4L735 W738 Q752 Q759 I760 F784 V790 L858L735-I756 HydrophobicContact CD1-CG2 3.98Å; L735-I756 HydrophobicContact CD2-CG2 4.48Å; W738-I756 HydrophobicContact CH2-CD1 3.84Å; W738-I756 HydrophobicContact CZ2-CD1 3.59Å; W738-I756 HydrophobicContact CZ3-CD1 4.41Å; Q752-I756 HydrophobicContact CG-CD1 4.05Å; Q752-I756 WeakPolarHBondContact O-CB 3.43Å; Q752-I756 VanDerWaalsContact O-CG1 3.29Å; Q752-I756 WeakPolarHBondContact O-CG1 3.41Å; Q752-I756 PolarHBondContact O-N 2.74Å; I756-Q759 PolarHBondContact O-N 3.09Å; I756-I760 HydrophobicContact CG2-CD1 4.04Å; I756-I760 WeakPolarHBondContact O-CD1 3.11Å; I756-I760 VanDerWaalsContact O-CG1 3.26Å; I756-I760 WeakPolarHBondContact O-CG1 3.44Å; I756-I760 PolarHBondContact O-N 3.38Å; I756-F784 HydrophobicContact CD1-CE1 4.26Å; I756-F784 HydrophobicContact CD1-CZ 4.34Å; I756-F784 HydrophobicContact CG1-CE1 4.37Å; I756-V790 HydrophobicContact CB-CG2 4.41Å; I756-V790 HydrophobicContact CG1-CG2 4.28Å; I756-V790 HydrophobicContact CG2-CG2 4.15Å; I756-L858 HydrophobicContact CB-CD2 4.49Å; I756-L858 HydrophobicContact CG2-CD1 4.27Å; I756-L858 HydrophobicContact CG2-CD2 3.91Å
757F96.2Very high92.9Very high0 Ų035.4 Ų35.40%017%0.173CC..Hα-helixtrans-62-44.4176.7-178.1-99.2000112.5C753 L754 D755 Q759 I760 A761 L851 L855 L858 M894 M898 I912 F918C753-F757 WeakPolarHBondContact O-CB 3.49Å; C753-F757 PolarHBondContact O-N 3.31Å; L754-F757 PolarHBondContact O-N 2.88Å; D755-F757 VanDerWaalsContact C-N 3.33Å; D755-F757 PolarHBondContact O-N 2.89Å; F757-Q759 PolarHBondContact O-N 3.04Å; F757-I760 WeakPolarHBondContact O-CB 3.39Å; F757-I760 PolarHBondContact O-N 2.89Å; F757-I760 VanDerWaalsContact O-N 3.12Å; F757-A761 HydrophobicContact CE1-CB 4.22Å; F757-A761 PolarHBondContact O-N 3.32Å; F757-L851 HydrophobicContact CE2-CB 4.01Å; F757-L851 HydrophobicContact CE2-CD2 3.86Å; F757-L851 HydrophobicContact CE2-CG 4.49Å; F757-L851 WeakPolarHBondContact CE2-O 3.39Å; F757-L851 HydrophobicContact CZ-CB 4.16Å; F757-L851 HydrophobicContact CZ-CD2 4.28Å; F757-L855 HydrophobicContact CB-CD1 4.18Å; F757-L855 HydrophobicContact CD1-CD1 4.18Å; F757-L855 HydrophobicContact CD2-CB 3.76Å; F757-L855 HydrophobicContact CD2-CD1 4.07Å; F757-L855 HydrophobicContact CD2-CG 4.4Å; F757-L855 HydrophobicContact CE1-CD2 4.31Å; F757-L855 HydrophobicContact CE2-CB 3.66Å; F757-L855 HydrophobicContact CE2-CG 4.48Å; F757-L855 HydrophobicContact CG-CB 4.39Å; F757-L855 HydrophobicContact CG-CD1 3.85Å; F757-L855 HydrophobicContact CZ-CB 4.21Å; F757-L855 HydrophobicContact CZ-CD2 4.29Å; F757-L858 HydrophobicContact CB-CD1 3.83Å; F757-L858 HydrophobicContact CD2-CD1 4.23Å; F757-M894 HydrophobicContact CE1-CE 3.73Å; F757-M894 HydrophobicContact CZ-CE 4.32Å; F757-M898 HydrophobicContact CE2-CE 4.41Å; F757-M898 HydrophobicContact CZ-CE 3.8Å; F757-M898 HydrophobicContact CZ-SD 4.09Å; F757-I912 HydrophobicContact CE1-CG2 3.96Å; F757-I912 HydrophobicContact CZ-CG2 4.34Å; F757-F918 AromaticContact CD1-CE1 3.98Å; F757-F918 HydrophobicContact CD1-CE1 3.98Å; F757-F918 AromaticContact CD1-CZ 3.72Å; F757-F918 HydrophobicContact CD1-CZ 3.72Å; F757-F918 AromaticContact CE1-CZ 4Å; F757-F918 HydrophobicContact CE1-CZ 4Å
758L94.8Very high93.2Very high10 Ų1032.6 Ų32.65%0.05216%0.16CC..Hα-helixtrans-60.5-44.1179.6-179.363.3000111.4L754 D755 I760 A761 E762 T913 F918L754-L758 VanDerWaalsContact O-CB 3.28Å; L754-L758 WeakPolarHBondContact O-CB 3.26Å; L754-L758 PolarHBondContact O-N 2.81Å; D755-L758 PolarHBondContact O-N 3.5Å; L758-I760 VanDerWaalsContact C-N 3.26Å; L758-I760 PolarHBondContact O-N 3.22Å; L758-A761 PolarHBondContact O-N 2.89Å; L758-A761 VanDerWaalsContact O-N 3.16Å; L758-E762 HydrophobicContact CD1-CG 4.28Å; L758-E762 HydrophobicContact CG-CG 4.39Å; L758-E762 WeakPolarHBondContact O-CB 3.47Å; L758-E762 WeakPolarHBondContact O-CG 3.45Å; L758-E762 PolarHBondContact O-N 3.19Å; L758-T913 HydrophobicContact CD1-CG2 4.14Å; L758-F918 HydrophobicContact CB-CD1 3.97Å; L758-F918 HydrophobicContact CB-CE1 4.27Å; L758-F918 HydrophobicContact CD1-CB 4.19Å; L758-F918 HydrophobicContact CD1-CD1 4.06Å; L758-F918 HydrophobicContact CD1-CD2 4.44Å; L758-F918 HydrophobicContact CD1-CG 3.95Å; L758-F918 HydrophobicContact CD2-CB 4.2Å; L758-F918 HydrophobicContact CD2-CD1 4.33Å; L758-F918 HydrophobicContact CG-CD1 4.34Å
759Q95Very high93.4Very high34 Ų3435.1 Ų35.116%0.15918%0.18CC..Hα-helixtrans-62.1-32.7176.2-67.8-176.955.500112.7D755 I756 F757 A763 V790D755-Q759 WeakPolarHBondContact O-CG 3.22Å; D755-Q759 PolarHBondContact O-N 3.15Å; D755-Q759 PolarHBondContact OD2-NE2 3.13Å; I756-Q759 PolarHBondContact O-N 3.09Å; F757-Q759 PolarHBondContact O-N 3.04Å; Q759-A763 WeakPolarHBondContact O-CB 3.36Å; Q759-A763 PolarHBondContact O-N 3.2Å; Q759-V790 HydrophobicContact CB-CB 3.82Å; Q759-V790 HydrophobicContact CB-CG2 4.02Å; Q759-V790 HydrophobicContact CG-CG2 4.48Å
760I96.6Very high93.4Very high0 Ų034.5 Ų34.50%018%0.176CC..Hα-helixtrans-72.5-43.3173.9-57.2157000110.1L735 I756 F757 L758 A763 V764 I782 V790 V792 L851 I854L735-I760 HydrophobicContact CD2-CD1 3.94Å; I756-I760 HydrophobicContact CG2-CD1 4.04Å; I756-I760 WeakPolarHBondContact O-CD1 3.11Å; I756-I760 VanDerWaalsContact O-CG1 3.26Å; I756-I760 WeakPolarHBondContact O-CG1 3.44Å; I756-I760 PolarHBondContact O-N 3.38Å; F757-I760 WeakPolarHBondContact O-CB 3.39Å; F757-I760 PolarHBondContact O-N 2.89Å; F757-I760 VanDerWaalsContact O-N 3.12Å; L758-I760 VanDerWaalsContact C-N 3.26Å; L758-I760 PolarHBondContact O-N 3.22Å; I760-A763 WeakPolarHBondContact O-CB 3.44Å; I760-A763 PolarHBondContact O-N 2.79Å; I760-V764 WeakPolarHBondContact O-CG2 3.43Å; I760-V764 PolarHBondContact O-N 2.96Å; I760-I782 HydrophobicContact CD1-CD1 4.01Å; I760-I782 HydrophobicContact CD1-CG2 4.04Å; I760-I782 HydrophobicContact CG1-CD1 4.31Å; I760-I782 HydrophobicContact CG1-CG2 3.99Å; I760-I782 HydrophobicContact CG2-CD1 4.01Å; I760-V790 HydrophobicContact CD1-CG1 4.43Å; I760-V790 HydrophobicContact CG1-CG1 3.71Å; I760-V792 HydrophobicContact CG2-CG2 4.07Å; I760-L851 HydrophobicContact CB-CD2 4.46Å; I760-L851 HydrophobicContact CG2-CD2 3.69Å; I760-I854 HydrophobicContact CD1-CG2 4.23Å
761A96.2Very high93.3Very high0 Ų032.6 Ų32.60%017%0.173CC..Hα-helixtrans-65.2-43.6178.900000112.5F757 L758 A763 V764 D765 I912 T913F757-A761 HydrophobicContact CE1-CB 4.22Å; F757-A761 PolarHBondContact O-N 3.32Å; L758-A761 PolarHBondContact O-N 2.89Å; L758-A761 VanDerWaalsContact O-N 3.16Å; A761-A763 PolarHBondContact O-N 2.86Å; A761-V764 PolarHBondContact O-N 2.59Å; A761-V764 VanDerWaalsContact O-N 3.16Å; A761-D765 WeakPolarHBondContact O-CB 3.41Å; A761-D765 PolarHBondContact O-N 3.22Å; A761-I912 HydrophobicContact CB-CG2 3.75Å; A761-T913 HydrophobicContact CB-CG2 3.74Å
762E95.5Very high93.2Very high64 Ų6428.5 Ų28.530%0.29915%0.15SC..Hα-helixtrans-57.5-36.4171.3-73.3-178.5160.300111.2H505 L758 F766 T913 R926H505-E762 PolarHBondContact CE1-O 2.69Å; H505-E762 VanDerWaalsContact CE1-O 3.25Å; L758-E762 HydrophobicContact CD1-CG 4.28Å; L758-E762 HydrophobicContact CG-CG 4.39Å; L758-E762 WeakPolarHBondContact O-CB 3.47Å; L758-E762 WeakPolarHBondContact O-CG 3.45Å; L758-E762 PolarHBondContact O-N 3.19Å; E762-F766 PolarHBondContact O-N 2.89Å; E762-F766 VanDerWaalsContact O-N 3.11Å; E762-T913 HydrophobicContact CG-CG2 4.13Å; E762-R926 IonicContact OE1-CZ 3.41Å; E762-R926 IonicContact OE1-NH2 2.81Å; E762-R926 PolarHBondContact OE1-NH2 2.73Å; E762-R926 IonicContact OE2-NH2 3.32Å; E762-R926 PolarHBondContact OE2-NH2 2.8Å
763A95.1Very high93Very high0 Ų024.7 Ų24.70%013%0.133CC..Hα-helixtrans-72.3-35.9176.200000113.6G507 I508 Q759 I760 A761 L767 V792G507-A763 WeakPolarHBondContact O-CB 3.42Å; I508-A763 HydrophobicContact CG1-CB 4.31Å; Q759-A763 WeakPolarHBondContact O-CB 3.36Å; Q759-A763 PolarHBondContact O-N 3.2Å; I760-A763 WeakPolarHBondContact O-CB 3.44Å; I760-A763 PolarHBondContact O-N 2.79Å; A761-A763 PolarHBondContact O-N 2.86Å; A763-L767 WeakPolarHBondContact O-CG 3.36Å; A763-L767 PolarHBondContact O-N 2.84Å; A763-V792 HydrophobicContact CB-CB 4.33Å; A763-V792 HydrophobicContact CB-CG2 3.72Å
764V95.3Very high92.8Very high0 Ų024.8 Ų24.80%013%0.133CC..Hα-helixtrans-71.8-42.3175.7173.10000110.9I760 A761 F766 L767 H768 L777 D847 L851 A909I760-V764 WeakPolarHBondContact O-CG2 3.43Å; I760-V764 PolarHBondContact O-N 2.96Å; A761-V764 PolarHBondContact O-N 2.59Å; A761-V764 VanDerWaalsContact O-N 3.16Å; V764-F766 VanDerWaalsContact C-N 3.32Å; V764-F766 PolarHBondContact O-N 2.87Å; V764-L767 WeakPolarHBondContact O-CB 3.32Å; V764-L767 PolarHBondContact O-N 3.36Å; V764-L767 VanDerWaalsContact O-N 3.09Å; V764-H768 WeakPolarHBondContact CG1-CE1 3.21Å; V764-H768 WeakPolarHBondContact CG1-NE2 3.32Å; V764-H768 PolarHBondContact O-CD2 2.83Å; V764-H768 VanDerWaalsContact O-CG 3.31Å; V764-H768 PolarHBondContact O-N 2.93Å; V764-L777 HydrophobicContact CG2-CD2 3.78Å; V764-D847 HydrophobicContact CG1-CB 3.96Å; V764-L851 HydrophobicContact CB-CD1 4.23Å; V764-L851 HydrophobicContact CG1-CD1 4.09Å; V764-L851 HydrophobicContact CG2-CD1 4.3Å; V764-L851 HydrophobicContact CG2-CD2 4.29Å; V764-L851 HydrophobicContact CG2-CG 4.49Å; V764-A909 HydrophobicContact CG1-CB 4.23Å
765D95.5Very high92.4Very high52 Ų5225.8 Ų25.828%0.27814%0.137SC..Hα-helixtrans-58.2-43.7173.3-174.462.9000111.7A761 L767 H768 S769 A909 A910A761-D765 WeakPolarHBondContact O-CB 3.41Å; A761-D765 PolarHBondContact O-N 3.22Å; D765-L767 VanDerWaalsContact C-N 3.34Å; D765-L767 PolarHBondContact O-N 2.91Å; D765-H768 PolarHBondContact O-N 2.91Å; D765-S769 WeakPolarHBondContact O-CB 3.29Å; D765-S769 PolarHBondContact O-N 2.98Å; D765-A909 HydrophobicContact CB-CB 3.65Å; D765-A910 WeakPolarHBondContact OD1-CA 3.33Å; D765-A910 WeakPolarHBondContact OD1-CB 3.32Å; D765-A910 PolarHBondContact OD1-N 3.24Å
766F94.3Very high92.2Very high32 Ų3224.3 Ų24.314%0.1413%0.129CC..Hα-helixtrans-57.4-44.5173.3177.8-90.2000112.4L503 E504 H505 I508 E762 V764 S769 K770L503-F766 HydrophobicContact CB-CE1 4.34Å; L503-F766 HydrophobicContact CD2-CE1 4.06Å; E504-F766 WeakPolarHBondContact O-CZ 3.25Å; H505-F766 HydrophobicContact CB-CB 4.4Å; H505-F766 HydrophobicContact CB-CD1 3.69Å; H505-F766 HydrophobicContact CB-CD2 3.99Å; H505-F766 HydrophobicContact CB-CE1 3.85Å; H505-F766 HydrophobicContact CB-CE2 4.14Å; H505-F766 HydrophobicContact CB-CG 3.75Å; H505-F766 HydrophobicContact CB-CZ 4.07Å; H505-F766 AromaticContact CD2-CD2 3.46Å; H505-F766 VanDerWaalsContact CD2-CD2 3.46Å; H505-F766 WeakPolarHBondContact CD2-CD2 3.3Å; H505-F766 AromaticContact CD2-CG 3.61Å; H505-F766 AromaticContact CG-CD2 3.85Å; H505-F766 AromaticContact CG-CG 3.58Å; I508-F766 HydrophobicContact CD1-CD1 3.59Å; I508-F766 HydrophobicContact CD1-CE1 4Å; E762-F766 PolarHBondContact O-N 2.89Å; E762-F766 VanDerWaalsContact O-N 3.11Å; V764-F766 VanDerWaalsContact C-N 3.32Å; V764-F766 PolarHBondContact O-N 2.87Å; F766-S769 PolarHBondContact O-N 2.94Å; F766-S769 PolarHBondContact O-OG 3.25Å; F766-K770 HydrophobicContact CE1-CG 4.24Å; F766-K770 HydrophobicContact CZ-CG 4.3Å; F766-K770 WeakPolarHBondContact O-CG 3.22Å; F766-K770 PolarHBondContact O-N 3.34Å
767L91.8Very high92Very high0 Ų023.9 Ų23.90%013%0.127CC..Hα-helixtrans-61.6-46176.5-67.2166.7000111.4L503 I508 A763 V764 D765 S769 K770 G771 L772 H774 F795L503-L767 HydrophobicContact CD1-CD2 3.7Å; I508-L767 HydrophobicContact CD1-CD2 3.82Å; I508-L767 HydrophobicContact CD1-CG 4.08Å; A763-L767 WeakPolarHBondContact O-CG 3.36Å; A763-L767 PolarHBondContact O-N 2.84Å; V764-L767 WeakPolarHBondContact O-CB 3.32Å; V764-L767 PolarHBondContact O-N 3.36Å; V764-L767 VanDerWaalsContact O-N 3.09Å; D765-L767 VanDerWaalsContact C-N 3.34Å; D765-L767 PolarHBondContact O-N 2.91Å; L767-S769 VanDerWaalsContact C-N 3.33Å; L767-S769 PolarHBondContact O-N 3.09Å; L767-K770 WeakPolarHBondContact O-CA 3.44Å; L767-K770 PolarHBondContact O-N 3.44Å; L767-G771 PolarHBondContact O-N 3.32Å; L767-L772 CarbonylContact C-O 3.48Å; L767-L772 VanDerWaalsContact C-O 3.31Å; L767-L772 PolarHBondContact O-N 3.07Å; L767-L772 VanDerWaalsContact O-N 3.07Å; L767-L772 VanDerWaalsContact O-O 3.12Å; L767-H774 HydrophobicContact CD1-CB 4.16Å; L767-F795 HydrophobicContact CD1-CE1 3.98Å; L767-F795 HydrophobicContact CD2-CE1 4.06Å
768H93Very high91.7Very high22 Ų2224.9 Ų24.910%0.10213%0.131CC..Hα-helixtrans-64.2-39.9-178.4-65.1-177.3000110.8V764 D765 K770 G771 L772 M801 H844 D847V764-H768 WeakPolarHBondContact CG1-CE1 3.21Å; V764-H768 WeakPolarHBondContact CG1-NE2 3.32Å; V764-H768 PolarHBondContact O-CD2 2.83Å; V764-H768 VanDerWaalsContact O-CG 3.31Å; V764-H768 PolarHBondContact O-N 2.93Å; D765-H768 PolarHBondContact O-N 2.91Å; H768-K770 PolarHBondContact O-N 3.07Å; H768-K770 VanDerWaalsContact O-N 3.08Å; H768-G771 PolarHBondContact O-N 2.97Å; H768-L772 PolarHBondContact CD2-O 3.41Å; H768-M801 HydrophobicContact CB-CE 4.06Å; H768-M801 WeakPolarHBondContact O-CE 3.37Å; H768-H844 AromaticContact CE1-CD2 3.83Å; H768-H844 PolarHBondContact CE1-O 3.01Å; H768-H844 AromaticContact CG-CD2 3.96Å; H768-H844 AromaticContact ND1-CD2 3.5Å; H768-H844 PolarHBondContact ND1-CD2 3.36Å; H768-D847 IonicContact CD2-OD2 3.02Å; H768-D847 IonicContact CE1-OD2 2.71Å; H768-D847 IonicContact NE2-OD2 3.8Å; H768-D847 PolarHBondContact NE2-OD2 3.42Å
769S92.4Very high91.7Very high72 Ų7224.5 Ų24.550%0.50313%0.129SC..THydrogen-bonded Turntrans-62.4-12.8172.285.30000115D765 F766 L767D765-S769 WeakPolarHBondContact O-CB 3.29Å; D765-S769 PolarHBondContact O-N 2.98Å; F766-S769 PolarHBondContact O-N 2.94Å; F766-S769 PolarHBondContact O-OG 3.25Å; L767-S769 VanDerWaalsContact C-N 3.33Å; L767-S769 PolarHBondContact O-N 3.09Å
770K88.4Confident91.4Very high123 Ų12325 Ų2554%0.53514%0.136SC..THydrogen-bonded Turntrans-104.88.6174.8-60-53.6173.2-154.70113.3F766 L767 H768 L772F766-K770 HydrophobicContact CE1-CG 4.24Å; F766-K770 HydrophobicContact CZ-CG 4.3Å; F766-K770 WeakPolarHBondContact O-CG 3.22Å; F766-K770 PolarHBondContact O-N 3.34Å; L767-K770 WeakPolarHBondContact O-CA 3.44Å; L767-K770 PolarHBondContact O-N 3.44Å; H768-K770 PolarHBondContact O-N 3.07Å; H768-K770 VanDerWaalsContact O-N 3.08Å; K770-L772 VanDerWaalsContact C-N 3.28Å; K770-L772 HydrophobicContact CB-CD1 4.44Å; K770-L772 HydrophobicContact CB-CG 4.38Å; K770-L772 PolarHBondContact O-N 3.36Å
771G86.6Confident91.2Very high28 Ų2825.3 Ų25.329%0.28914%0.138SC..THydrogen-bonded Turntrans66.830-176.100000112.5L767 H768 A800 M801L767-G771 PolarHBondContact O-N 3.32Å; H768-G771 PolarHBondContact O-N 2.97Å; G771-A800 CarbonylContact O-C 3.54Å; G771-A800 VanDerWaalsContact O-CA 3.29Å; G771-A800 WeakPolarHBondContact O-CA 3.21Å; G771-M801 PolarHBondContact O-N 2.72Å
772L87.2Confident91.1Very high18 Ų1825.3 Ų25.39%0.09414%0.138CC..EExtended strand (participates in β ladder)trans-120.5153.6178.5-60.7178.6000110.9A499 L503 L767 H768 K770 V798 M801A499-L772 HydrophobicContact CB-CD1 4.5Å; L503-L772 HydrophobicContact CD1-CD1 4.16Å; L503-L772 HydrophobicContact CD2-CD1 3.75Å; L503-L772 HydrophobicContact CG-CD1 4.46Å; L767-L772 CarbonylContact C-O 3.48Å; L767-L772 VanDerWaalsContact C-O 3.31Å; L767-L772 PolarHBondContact O-N 3.07Å; L767-L772 VanDerWaalsContact O-N 3.07Å; L767-L772 VanDerWaalsContact O-O 3.12Å; H768-L772 PolarHBondContact CD2-O 3.41Å; K770-L772 VanDerWaalsContact C-N 3.28Å; K770-L772 HydrophobicContact CB-CD1 4.44Å; K770-L772 HydrophobicContact CB-CG 4.38Å; K770-L772 PolarHBondContact O-N 3.36Å; L772-V798 HydrophobicContact CB-CG1 4.25Å; L772-V798 HydrophobicContact CD1-CG1 4.35Å; L772-V798 HydrophobicContact CD2-CG1 4.11Å; L772-V798 HydrophobicContact CG-CG1 4.48Å; L772-M801 WeakPolarHBondContact O-CE 3.29Å
773M87.6Confident91Very high6 Ų624.5 Ų24.53%0.0313%0.133CC..EExtended strand (participates in β ladder)trans-132144.6174.652.1168.5124.400111.3R775 V798 T799 M801 Y842 H844 D847M773-R775 HydrophobicContact CB-CG 4.43Å; M773-R775 HydrophobicContact CG-CG 3.92Å; M773-R775 HydrophobicContact SD-CG 3.83Å; M773-R775 PolarHBondContact SD-NE 3.49Å; M773-V798 WeakPolarHBondContact O-CA 3.1Å; M773-V798 WeakPolarHBondContact O-CG2 3.44Å; M773-T799 PolarHBondContact N-O 3.4Å; M773-M801 HydrophobicContact CE-CG 4.4Å; M773-Y842 HydrophobicContact SD-CD2 4.09Å; M773-Y842 HydrophobicContact SD-CE2 3.93Å; M773-H844 HydrophobicContact CB-CB 4.13Å; M773-D847 WeakPolarHBondContact CA-OD2 3.43Å
774H88.4Confident90.9Very high1 Ų124.9 Ų24.91%0.00514%0.135CC..  trans-79.6-41.8-172.6-169.2-74.7000113.3L767 D776 L777 V792 G793 F795 D847L767-H774 HydrophobicContact CD1-CB 4.16Å; H774-D776 PolarHBondContact CE1-O 3.37Å; H774-D776 VanDerWaalsContact ND1-C 3.33Å; H774-D776 PolarHBondContact O-N 3Å; H774-L777 HydrophobicContact CB-CB 4.45Å; H774-L777 PolarHBondContact ND1-N 2.93Å; H774-V792 VanDerWaalsContact CD2-CG1 3.41Å; H774-V792 WeakPolarHBondContact CD2-CG1 3.12Å; H774-V792 WeakPolarHBondContact NE2-CG1 3.35Å; H774-G793 PolarHBondContact NE2-O 3Å; H774-F795 AromaticContact CD2-CD1 3.48Å; H774-F795 VanDerWaalsContact CD2-CD1 3.48Å; H774-F795 WeakPolarHBondContact CD2-CD1 3.48Å; H774-F795 AromaticContact CD2-CE1 3.49Å; H774-F795 VanDerWaalsContact CD2-CE1 3.49Å; H774-F795 WeakPolarHBondContact CD2-CE1 3.2Å; H774-F795 AromaticContact NE2-CD1 3.72Å; H774-F795 AromaticContact NE2-CE1 3.88Å; H774-D847 WeakPolarHBondContact CB-OD1 3.43Å; H774-D847 PolarHBondContact N-OD1 3.19Å; H774-D847 PolarHBondContact N-OD2 3.21Å
775R85.3Confident90.7Very high25 Ų2525.1 Ų25.19%0.09414%0.137CC..SBendtrans64.9-29.9176.8-56.4175.4174.2171.1-16.9117.8M773 L797 T799 Q836 Y842 V846 D847M773-R775 HydrophobicContact CB-CG 4.43Å; M773-R775 HydrophobicContact CG-CG 3.92Å; M773-R775 HydrophobicContact SD-CG 3.83Å; M773-R775 PolarHBondContact SD-NE 3.49Å; R775-L797 HydrophobicContact CB-CB 4.35Å; R775-L797 WeakPolarHBondContact CD-O 3.44Å; R775-L797 PolarHBondContact NH1-O 2.78Å; R775-T799 PolarHBondContact NH1-OG1 3.46Å; R775-Q836 PolarHBondContact O-NE2 3.25Å; R775-Y842 HydrophobicContact CG-CE2 3.99Å; R775-Y842 PolarHBondContact NE-OH 2.78Å; R775-V846 HydrophobicContact CG-CG2 4.21Å; R775-D847 PolarHBondContact N-OD1 2.9Å
776D85.6Confident90.3Very high14 Ų1428.3 Ų28.38%0.07515%0.151CC..SBendtrans-116.140.9177.2-163.624000111.9H774 K778 N781 L797H774-D776 PolarHBondContact CE1-O 3.37Å; H774-D776 VanDerWaalsContact ND1-C 3.33Å; H774-D776 PolarHBondContact O-N 3Å; D776-K778 PolarHBondContact O-N 3.33Å; D776-K778 WeakPolarHBondContact OD1-CE 3.22Å; D776-K778 IonicContact OD1-NZ 3.07Å; D776-K778 PolarHBondContact OD1-NZ 3.1Å; D776-K778 WeakPolarHBondContact OD2-CE 3.3Å; D776-K778 IonicContact OD2-NZ 2.67Å; D776-K778 PolarHBondContact OD2-NZ 3.42Å; D776-N781 PolarHBondContact O-ND2 2.98Å; D776-L797 HydrophobicContact CB-CD1 4.35Å
777L91Very high89.9Confident1 Ų133.4 Ų33.41%0.00518%0.18CC..  trans-76.3117.3-177-171.869.7000110.2V764 H774 I782 V792 S850 L851 I854V764-L777 HydrophobicContact CG2-CD2 3.78Å; H774-L777 HydrophobicContact CB-CB 4.45Å; H774-L777 PolarHBondContact ND1-N 2.93Å; L777-I782 HydrophobicContact CD1-CD1 4.11Å; L777-I782 HydrophobicContact CD1-CG1 4.28Å; L777-V792 HydrophobicContact CD1-CG1 3.85Å; L777-S850 WeakPolarHBondContact O-CB 3.39Å; L777-L851 HydrophobicContact CD2-CD2 3.83Å; L777-L851 HydrophobicContact CD2-CG 3.9Å; L777-I854 HydrophobicContact CD2-CD1 4.21Å; L777-I854 HydrophobicContact CG-CD1 3.91Å
778K90.8Very high89.6Confident20 Ų2037.5 Ų37.59%0.08720%0.202CC..SBendtrans-161.1160.1-176.162.4-167.4170.4-154.80111.1D776 S780 N781 Y831D776-K778 PolarHBondContact O-N 3.33Å; D776-K778 WeakPolarHBondContact OD1-CE 3.22Å; D776-K778 IonicContact OD1-NZ 3.07Å; D776-K778 PolarHBondContact OD1-NZ 3.1Å; D776-K778 WeakPolarHBondContact OD2-CE 3.3Å; D776-K778 IonicContact OD2-NZ 2.67Å; D776-K778 PolarHBondContact OD2-NZ 3.42Å; K778-S780 VanDerWaalsContact CE-OG 3.3Å; K778-S780 WeakPolarHBondContact CE-OG 3.38Å; K778-S780 WeakPolarHBondContact CG-OG 3.2Å; K778-S780 PolarHBondContact O-N 3.47Å; K778-N781 WeakPolarHBondContact CE-ND2 3.29Å; K778-N781 WeakPolarHBondContact CE-OD1 3.36Å; K778-N781 HydrophobicContact CG-CB 4.11Å; K778-N781 PolarHBondContact O-N 3.11Å; K778-Y831 HydrophobicContact CB-CD2 3.48Å; K778-Y831 VanDerWaalsContact CB-CD2 3.48Å; K778-Y831 HydrophobicContact CB-CE2 3.96Å; K778-Y831 HydrophobicContact CB-CG 3.85Å
779P93.2Very high89.5Confident2 Ų238.9 Ų38.91%0.01321%0.212CC..G310 helixtrans-61.2-18.1-175.9-2736.3000116.8N734 L735 K736 M739 N781 Y831 I854N734-P779 PolarHBondContact OD1-O 3.41Å; L735-P779 HydrophobicContact CB-CB 4.24Å; L735-P779 WeakPolarHBondContact CB-O 3.41Å; L735-P779 HydrophobicContact CD2-CB 4.41Å; L735-P779 HydrophobicContact CG-CB 4.28Å; L735-P779 PolarHBondContact N-O 3.23Å; K736-P779 HydrophobicContact CB-CB 3.94Å; K736-P779 PolarHBondContact N-O 2.76Å; M739-P779 HydrophobicContact CE-CB 3.56Å; M739-P779 HydrophobicContact CE-CG 3.61Å; P779-N781 VanDerWaalsContact C-N 3.31Å; P779-Y831 VanDerWaalsContact CD-CZ 3.41Å; P779-Y831 HydrophobicContact CG-CE1 4.08Å; P779-I854 HydrophobicContact CG-CG1 4.26Å
780S89.5Confident89.6Confident44 Ų4435.5 Ų35.531%0.30819%0.188SC..G310 helixtrans-78.6-15.2172.462.90000113.9K778 F783K778-S780 VanDerWaalsContact CE-OG 3.3Å; K778-S780 WeakPolarHBondContact CE-OG 3.38Å; K778-S780 WeakPolarHBondContact CG-OG 3.2Å; K778-S780 PolarHBondContact O-N 3.47Å; S780-F783 VanDerWaalsContact O-CZ 3.29Å; S780-F783 WeakPolarHBondContact O-CZ 3.42Å
781N91.6Very high89.9Confident7 Ų730.5 Ų30.54%0.03717%0.166CC..G310 helixtrans-107.19.3-176.5-68.732.1000111.3D776 K778 P779 F783 G793 D794D776-N781 PolarHBondContact O-ND2 2.98Å; K778-N781 WeakPolarHBondContact CE-ND2 3.29Å; K778-N781 WeakPolarHBondContact CE-OD1 3.36Å; K778-N781 HydrophobicContact CG-CB 4.11Å; K778-N781 PolarHBondContact O-N 3.11Å; P779-N781 VanDerWaalsContact C-N 3.31Å; N781-F783 VanDerWaalsContact C-CE2 3.44Å; N781-G793 PolarHBondContact O-N 3.09Å; N781-D794 HydrophobicContact CB-CB 4.48Å
782I94.3Very high90.2Very high0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans-120.2119.5178.3-60.8166.9000106.6N734 L735 I760 L777 V790 I854N734-I782 WeakPolarHBondContact CB-O 3.42Å; L735-I782 HydrophobicContact CB-CB 4.04Å; L735-I782 HydrophobicContact CB-CG2 4.06Å; L735-I782 HydrophobicContact CD2-CB 4.27Å; L735-I782 HydrophobicContact CD2-CD1 4.21Å; L735-I782 HydrophobicContact CD2-CG2 4Å; L735-I782 PolarHBondContact N-O 3.02Å; I760-I782 HydrophobicContact CD1-CD1 4.01Å; I760-I782 HydrophobicContact CD1-CG2 4.04Å; I760-I782 HydrophobicContact CG1-CD1 4.31Å; I760-I782 HydrophobicContact CG1-CG2 3.99Å; I760-I782 HydrophobicContact CG2-CD1 4.01Å; L777-I782 HydrophobicContact CD1-CD1 4.11Å; L777-I782 HydrophobicContact CD1-CG1 4.28Å; I782-V790 HydrophobicContact CG2-CG1 3.51Å; I782-I854 HydrophobicContact CD1-CD1 3.91Å
783F94.3Very high90.1Very high47 Ų4728.3 Ų28.321%0.20615%0.148CC..EExtended strand (participates in β ladder)trans-119.5171.8-170.3-56.8-94.9000110.5I509 C730 N734 S780 N781 V790 K791I509-F783 HydrophobicContact CD1-CD2 3.76Å; I509-F783 HydrophobicContact CD1-CE2 4.18Å; I509-F783 HydrophobicContact CD1-CG 4.4Å; C730-F783 HydrophobicContact CB-CB 3.76Å; C730-F783 HydrophobicContact CB-CG 4.4Å; N734-F783 HydrophobicContact CB-CD1 3.77Å; N734-F783 HydrophobicContact CB-CE1 3.97Å; N734-F783 HydrophobicContact CB-CG 4.43Å; S780-F783 VanDerWaalsContact O-CZ 3.29Å; S780-F783 WeakPolarHBondContact O-CZ 3.42Å; N781-F783 VanDerWaalsContact C-CE2 3.44Å; F783-V790 CarbonylContact O-C 3.56Å; F783-K791 HydrophobicContact CB-CB 4.38Å; F783-K791 PolarHBondContact N-O 2.91Å; F783-K791 PolarHBondContact O-N 3.3Å
784F93.4Very high89.5Confident8 Ų830.2 Ų30.24%0.03516%0.158CC..EExtended strand (participates in β ladder)trans-117.5142.8172.5-61.6-85.2000110C730 R731 L735 W738 I756 V789 V790C730-F784 WeakPolarHBondContact CA-O 3.19Å; C730-F784 VanDerWaalsContact CB-O 3.29Å; C730-F784 WeakPolarHBondContact CB-O 3.41Å; R731-F784 PolarHBondContact N-O 2.85Å; L735-F784 HydrophobicContact CB-CE2 4.4Å; L735-F784 HydrophobicContact CD1-CE2 4.22Å; L735-F784 HydrophobicContact CD1-CZ 3.79Å; W738-F784 HydrophobicContact CB-CE2 3.73Å; W738-F784 HydrophobicContact CB-CZ 4.24Å; W738-F784 AromaticContact CD1-CE2 3.79Å; W738-F784 AromaticContact CD1-CZ 3.79Å; W738-F784 HydrophobicContact CD2-CZ 4.34Å; W738-F784 AromaticContact CG-CE2 3.83Å; W738-F784 HydrophobicContact CG-CE2 3.83Å; W738-F784 AromaticContact CG-CZ 3.9Å; W738-F784 HydrophobicContact CG-CZ 3.9Å; I756-F784 HydrophobicContact CD1-CE1 4.26Å; I756-F784 HydrophobicContact CD1-CZ 4.34Å; I756-F784 HydrophobicContact CG1-CE1 4.37Å; F784-V789 CarbonylContact C-O 3.59Å; F784-V789 WeakPolarHBondContact CA-O 3.31Å; F784-V790 HydrophobicContact CD1-CG2 4.13Å; F784-V790 HydrophobicContact CE1-CG2 3.88Å
785T91.1Very high88.4Confident6 Ų631 Ų314%0.03716%0.162CC..  trans-68.4173.4165.368.20000110.6R731 D787 D788 V789 K791R731-T785 VanDerWaalsContact CD-O 3.25Å; R731-T785 WeakPolarHBondContact CD-O 3.31Å; R731-T785 WeakPolarHBondContact CG-O 3.45Å; T785-D787 PolarHBondContact O-N 3.04Å; T785-D787 PolarHBondContact OG1-N 3.17Å; T785-D787 VanDerWaalsContact OG1-N 3.15Å; T785-D788 PolarHBondContact O-N 3.32Å; T785-D788 VanDerWaalsContact O-N 3.1Å; T785-V789 HydrophobicContact CG2-CB 4.14Å; T785-V789 PolarHBondContact N-O 2.86Å; T785-V789 PolarHBondContact OG1-N 2.99Å; T785-K791 HydrophobicContact CG2-CD 4.14Å; T785-K791 VanDerWaalsContact CG2-CE 3.5Å; T785-K791 HydrophobicContact CG2-CG 3.62Å
786M85.5Confident86.9Confident118 Ų11830.6 Ų30.658%0.58117%0.166SC*.THydrogen-bonded Turntrans-65.3-12.2170.4-52.2-55.2178.900113L729 R731L729-M786 HydrophobicContact CD2-CE 4.12Å; L729-M786 HydrophobicContact CG-CE 4.1Å; R731-M786 HydrophobicContact CG-SD 3.79Å
787D87.2Confident85.3Confident139 Ų13932 Ų3274%0.74317%0.173SC*.THydrogen-bonded Turntrans-102.816.7175.5-44.8-79.1000112.2T785 V789T785-D787 PolarHBondContact O-N 3.04Å; T785-D787 PolarHBondContact OG1-N 3.17Å; T785-D787 VanDerWaalsContact OG1-N 3.15Å; D787-V789 PolarHBondContact O-N 2.86Å; D787-V789 VanDerWaalsContact O-N 3.09Å
788D85.8Confident83.7Confident87 Ų8732.1 Ų32.147%0.46517%0.174SC..  trans57.816.5-179-66.7-21.7000116.8R731 T785R731-D788 VanDerWaalsContact CD-OD1 3.31Å; R731-D788 WeakPolarHBondContact CD-OD1 3.35Å; R731-D788 IonicContact CZ-OD1 3.83Å; R731-D788 IonicContact NE-OD1 2.72Å; R731-D788 IonicContact NH1-OD1 2.75Å; R731-D788 PolarHBondContact NH1-OD1 3.41Å; R731-D788 IonicContact NH1-OD2 2.74Å; R731-D788 PolarHBondContact NH1-OD2 2.83Å; T785-D788 PolarHBondContact O-N 3.32Å; T785-D788 VanDerWaalsContact O-N 3.1Å
789V90.8Very high82.1Confident51 Ų5132.9 Ų32.931%0.30918%0.18SC..  trans-72.1133.5169.6-178.20000109.7F784 T785 D787F784-V789 CarbonylContact C-O 3.59Å; F784-V789 WeakPolarHBondContact CA-O 3.31Å; T785-V789 HydrophobicContact CG2-CB 4.14Å; T785-V789 PolarHBondContact N-O 2.86Å; T785-V789 PolarHBondContact OG1-N 2.99Å; D787-V789 PolarHBondContact O-N 2.86Å; D787-V789 VanDerWaalsContact O-N 3.09Å
790V94.8Very high80Confident1 Ų135.1 Ų35.11%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-74.3142.9-177.5-173.20000111.3G507 I756 Q759 I760 I782 F783 F784G507-V790 WeakPolarHBondContact CA-O 3.41Å; I756-V790 HydrophobicContact CB-CG2 4.41Å; I756-V790 HydrophobicContact CG1-CG2 4.28Å; I756-V790 HydrophobicContact CG2-CG2 4.15Å; Q759-V790 HydrophobicContact CB-CB 3.82Å; Q759-V790 HydrophobicContact CB-CG2 4.02Å; Q759-V790 HydrophobicContact CG-CG2 4.48Å; I760-V790 HydrophobicContact CD1-CG1 4.43Å; I760-V790 HydrophobicContact CG1-CG1 3.71Å; I782-V790 HydrophobicContact CG2-CG1 3.51Å; F783-V790 CarbonylContact O-C 3.56Å; F784-V790 HydrophobicContact CD1-CG2 4.13Å; F784-V790 HydrophobicContact CE1-CG2 3.88Å
791K93.7Very high78.3Confident17 Ų1735 Ų357%0.07419%0.194CC..EExtended strand (participates in β ladder)trans-138.3108.1-174.2-70.3-60.4-1621770111.9P506 G507 I508 I509 F783 T785P506-K791 WeakPolarHBondContact O-CE 3.36Å; P506-K791 PolarHBondContact O-NZ 2.91Å; G507-K791 WeakPolarHBondContact O-CA 3.43Å; I508-K791 WeakPolarHBondContact O-CD 3.32Å; I508-K791 PolarHBondContact O-NZ 3.45Å; I509-K791 HydrophobicContact CG1-CB 3.82Å; F783-K791 HydrophobicContact CB-CB 4.38Å; F783-K791 PolarHBondContact N-O 2.91Å; F783-K791 PolarHBondContact O-N 3.3Å; T785-K791 HydrophobicContact CG2-CD 4.14Å; T785-K791 VanDerWaalsContact CG2-CE 3.5Å; T785-K791 HydrophobicContact CG2-CG 3.62Å
792V93.2Very high76.2Confident1 Ų140.2 Ų40.21%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-73.2136.7168.8-177.60000109.8G507 I509 I760 A763 H774 L777 F795G507-V792 PolarHBondContact O-N 3.4Å; I509-V792 PolarHBondContact N-O 3.14Å; I760-V792 HydrophobicContact CG2-CG2 4.07Å; A763-V792 HydrophobicContact CB-CB 4.33Å; A763-V792 HydrophobicContact CB-CG2 3.72Å; H774-V792 VanDerWaalsContact CD2-CG1 3.41Å; H774-V792 WeakPolarHBondContact CD2-CG1 3.12Å; H774-V792 WeakPolarHBondContact NE2-CG1 3.35Å; L777-V792 HydrophobicContact CD1-CG1 3.85Å; V792-F795 HydrophobicContact CG1-CE1 4.23Å; V792-F795 HydrophobicContact CG1-CZ 4.34Å; V792-F795 WeakPolarHBondContact O-CZ 3.46Å
793G84.9Confident73.4Confident0 Ų048 Ų480%026%0.258CS..  trans-159.9-172.6-173.200000115.1H774 N781H774-G793 PolarHBondContact NE2-O 3Å; N781-G793 PolarHBondContact O-N 3.09Å
794D74.9Confident70.7Confident45 Ų4554.8 Ų54.824%0.24129%0.291CS..  trans51.752.4-171.6-161.835.2000114.4K479 N781 G796K479-D794 IonicContact NZ-OD1 3.33Å; K479-D794 PolarHBondContact NZ-OD1 3.22Å; N781-D794 HydrophobicContact CB-CB 4.48Å; D794-G796 PolarHBondContact O-N 2.79Å
795F65.6Low67.9Low18 Ų1860.9 Ų60.98%0.07932%0.324CS..  trans-63.325.7178-61.5-76.2000116.2L500 I508 L767 H774 V792 L797 V798L500-F795 HydrophobicContact CD1-CB 4.09Å; L500-F795 HydrophobicContact CD2-CB 3.45Å; L500-F795 VanDerWaalsContact CD2-CB 3.45Å; L500-F795 HydrophobicContact CD2-CD1 4.24Å; L500-F795 HydrophobicContact CD2-CD2 3.54Å; L500-F795 HydrophobicContact CD2-CE2 4.32Å; L500-F795 HydrophobicContact CD2-CG 3.49Å; L500-F795 VanDerWaalsContact CD2-CG 3.49Å; L500-F795 HydrophobicContact CG-CB 4.37Å; I508-F795 HydrophobicContact CB-CZ 4.47Å; I508-F795 HydrophobicContact CD1-CZ 4.4Å; I508-F795 HydrophobicContact CG1-CZ 4.19Å; I508-F795 HydrophobicContact CG2-CE2 3.94Å; I508-F795 HydrophobicContact CG2-CZ 3.75Å; L767-F795 HydrophobicContact CD1-CE1 3.98Å; L767-F795 HydrophobicContact CD2-CE1 4.06Å; H774-F795 AromaticContact CD2-CD1 3.48Å; H774-F795 VanDerWaalsContact CD2-CD1 3.48Å; H774-F795 WeakPolarHBondContact CD2-CD1 3.48Å; H774-F795 AromaticContact CD2-CE1 3.49Å; H774-F795 VanDerWaalsContact CD2-CE1 3.49Å; H774-F795 WeakPolarHBondContact CD2-CE1 3.2Å; H774-F795 AromaticContact NE2-CD1 3.72Å; H774-F795 AromaticContact NE2-CE1 3.88Å; V792-F795 HydrophobicContact CG1-CE1 4.23Å; V792-F795 HydrophobicContact CG1-CZ 4.34Å; V792-F795 WeakPolarHBondContact O-CZ 3.46Å; F795-L797 PolarHBondContact O-N 3.48Å; F795-V798 HydrophobicContact CB-CB 4.43Å; F795-V798 HydrophobicContact CB-CG2 3.61Å; F795-V798 HydrophobicContact CD1-CG2 3.67Å; F795-V798 HydrophobicContact CG-CG2 4.1Å; F795-V798 PolarHBondContact O-N 3.36Å
796G54.2Low65Low17 Ų1768 Ų6818%0.17536%0.361CS..THydrogen-bonded Turntrans-67.311.7-169.300000117.2F461 D794F461-G796 WeakPolarHBondContact CE1-O 3.48Å; D794-G796 PolarHBondContact O-N 2.79Å
797L52.3Low62.8Low44 Ų4471.6 Ų71.623%0.2338%0.377CS..THydrogen-bonded Turntrans-137.23.2173.1-68.5179.1000113.4F461 R775 D776 F795 T799F461-L797 HydrophobicContact CE1-CD2 4.12Å; F461-L797 HydrophobicContact CE1-CG 4.36Å; F461-L797 HydrophobicContact CZ-CD1 4.43Å; F461-L797 HydrophobicContact CZ-CD2 4.08Å; F461-L797 HydrophobicContact CZ-CG 3.97Å; R775-L797 HydrophobicContact CB-CB 4.35Å; R775-L797 WeakPolarHBondContact CD-O 3.44Å; R775-L797 PolarHBondContact NH1-O 2.78Å; D776-L797 HydrophobicContact CB-CD1 4.35Å; F795-L797 PolarHBondContact O-N 3.48Å; L797-T799 PolarHBondContact O-N 3.11Å
798V56.7Low60.3Low2 Ų272.9 Ų72.91%0.01238%0.384CS..  trans-54.6141-177.9167.20000110.4E496 L772 M773 F795E496-V798 VanDerWaalsContact CG-O 3.31Å; E496-V798 WeakPolarHBondContact CG-O 3.45Å; L772-V798 HydrophobicContact CB-CG1 4.25Å; L772-V798 HydrophobicContact CD1-CG1 4.35Å; L772-V798 HydrophobicContact CD2-CG1 4.11Å; L772-V798 HydrophobicContact CG-CG1 4.48Å; M773-V798 WeakPolarHBondContact O-CA 3.1Å; M773-V798 WeakPolarHBondContact O-CG2 3.44Å; F795-V798 HydrophobicContact CB-CB 4.43Å; F795-V798 HydrophobicContact CB-CG2 3.61Å; F795-V798 HydrophobicContact CD1-CG2 3.67Å; F795-V798 HydrophobicContact CG-CG2 4.1Å; F795-V798 PolarHBondContact O-N 3.36Å
799T56.9Low57.6Low36 Ų3676.2 Ų76.222%0.22140%0.396CS..EExtended strand (participates in β ladder)trans-147.5164.9168.1-55.60000107.5M773 R775 L797M773-T799 PolarHBondContact N-O 3.4Å; R775-T799 PolarHBondContact NH1-OG1 3.46Å; L797-T799 PolarHBondContact O-N 3.11Å
800A50.2Low54.8Low49 Ų4978.9 Ų78.941%0.40542%0.415SS..EExtended strand (participates in β ladder)trans-52.2153.4164.300000111.3G771G771-A800 CarbonylContact O-C 3.54Å; G771-A800 VanDerWaalsContact O-CA 3.29Å; G771-A800 WeakPolarHBondContact O-CA 3.21Å
801M53.8Low51.6Low42 Ų4283.6 Ų83.621%0.20745%0.447CS..PPolyproline II helixtrans-72.2131.4153.6-55.4-178-155.400107.2H768 G771 L772 M773 Q803 H844H768-M801 HydrophobicContact CB-CE 4.06Å; H768-M801 WeakPolarHBondContact O-CE 3.37Å; G771-M801 PolarHBondContact O-N 2.72Å; L772-M801 WeakPolarHBondContact O-CE 3.29Å; M773-M801 HydrophobicContact CE-CG 4.4Å; M801-Q803 PolarHBondContact O-N 3.47Å; M801-H844 HydrophobicContact CE-CB 3.52Å; M801-H844 HydrophobicContact SD-CB 3.97Å
802D45.7Very low48.5Very low117 Ų11789 Ų8963%0.62648%0.482SS*.PPolyproline II helixtrans-70.8119167.5-57.8-35.8000106.1
803Q37Very low45.5Very low163 Ų16395.9 Ų95.976%0.76252%0.518SS*.PPolyproline II helixtrans-90.2132.1179.9-65.1-171.2-83.300109.5M801 D805M801-Q803 PolarHBondContact O-N 3.47Å; Q803-D805 PolarHBondContact O-N 3.39Å
804E36.3Very low42.9Very low190 Ų190100 Ų10089%0.88854%0.543SS*.  trans-87.422.4-171.8-57.7-178.9162.300113
805D34.7Very low40.6Very low136 Ų136103.1 Ų103.173%0.72757%0.566SS**  trans-97.13.6-165.2-72.7-50.3000115.6Q803Q803-D805 PolarHBondContact O-N 3.39Å
806D31.8Very low38.8Very low154 Ų154105.6 Ų105.682%0.82459%0.59SS**  trans-124.7104.7173.5-77.8-54000110.3D808D806-D808 PolarHBondContact O-N 2.63Å
807E38.2Very low37.9Very low195 Ų195107.8 Ų107.891%0.91160%0.601SS**THydrogen-bonded Turntrans-79.5-7.8-173.3-73.6-162.4127.900115.6
808D34.1Very low36.8Very low166 Ų166113.5 Ų113.589%0.88863%0.631SS**THydrogen-bonded Turntrans-102.114.2-165.9-84-51.2000116.2D806D806-D808 PolarHBondContact O-N 2.63Å
809E30.5Very low35.7Very low157 Ų157118.8 Ų118.873%0.73466%0.658SS**SBendtrans-117.4129.9172.1-90.9-72.9151.900112.5S811E809-S811 PolarHBondContact O-N 3.33Å
810P30.8Very low34.5Very low107 Ų107123 Ų12370%0.69568%0.684SS**  trans-76.880.4-17031.5-37.6000114.1V812P810-V812 PolarHBondContact O-N 2.74Å; P810-V812 VanDerWaalsContact O-N 3.14Å
811S28Very low33.7Very low99 Ų99132 Ų13269%0.69271%0.707SS**  trans44.856.3150.2-660000115.7E809 L813E809-S811 PolarHBondContact O-N 3.33Å; S811-L813 PolarHBondContact O-N 2.92Å
812V28.9Very low32.8Very low132 Ų132133.6 Ų133.680%0.871%0.714SS**  trans-74.667167.4-171.50000109.2P810 T814P810-V812 PolarHBondContact O-N 2.74Å; P810-V812 VanDerWaalsContact O-N 3.14Å; V812-T814 PolarHBondContact O-N 2.99Å; V812-T814 VanDerWaalsContact O-N 3.1Å
813L30.2Very low32Very low144 Ų144132.8 Ų132.875%0.75471%0.714SS**  trans-51.7113.9179.9-70167.5000109.7S811 P815S811-L813 PolarHBondContact O-N 2.92Å; L813-P815 WeakPolarHBondContact O-CD 3.34Å
814T31.2Very low31.7Very low88 Ų88129 Ų12954%0.5472%0.719SS.*  trans-49.2107.4177.5-67.90000109.9V812 A816V812-T814 PolarHBondContact O-N 2.99Å; V812-T814 VanDerWaalsContact O-N 3.1Å; T814-A816 PolarHBondContact O-N 2.96Å
815P26.4Very low31.6Very low110 Ų110127.1 Ų127.171%0.71471%0.71SS**PPolyproline II helixtrans-66.1132.1178.7-18.532.9000107.8L813L813-P815 WeakPolarHBondContact O-CD 3.34Å
816A27.9Very low31.6Very low70 Ų70127 Ų12758%0.57971%0.713SS**PPolyproline II helixtrans-48.7119.1178.100000108.8T814 L818T814-A816 PolarHBondContact O-N 2.96Å; A816-L818 PolarHBondContact O-N 2.73Å
817P34.3Very low32.2Very low63 Ų63120.9 Ų120.941%0.40969%0.687SS.*PPolyproline II helixtrans-62117-168.923-33.1000108.3L819P817-L819 VanDerWaalsContact O-CA 3.25Å; P817-L819 WeakPolarHBondContact O-CA 3.17Å; P817-L819 PolarHBondContact O-N 3.03Å
818L28.5Very low33.1Very low164 Ų164113.6 Ų113.686%0.85966%0.656SS**  trans-45.3103.5-177.7-93.1168.6000109.3A816 T820A816-L818 PolarHBondContact O-N 2.73Å; L818-T820 PolarHBondContact O-N 3.13Å
819L34.3Very low35.1Very low112 Ų112112.8 Ų112.859%0.58664%0.644SS**  trans-68.4110.4-154.9-147.184.4000108.2P817 R821P817-L819 VanDerWaalsContact O-CA 3.25Å; P817-L819 WeakPolarHBondContact O-CA 3.17Å; P817-L819 PolarHBondContact O-N 3.03Å; L819-R821 PolarHBondContact O-N 2.7Å
820T32.5Very low37.8Very low125 Ų125106 Ų10677%0.76761%0.613SS**  trans-60.7107.5-179.3-59.60000106.9L818 H822L818-T820 PolarHBondContact O-N 3.13Å; T820-H822 VanDerWaalsContact C-N 3.33Å; T820-H822 PolarHBondContact O-CD2 2.96Å; T820-H822 PolarHBondContact O-N 3.06Å
821R32.9Very low40.7Very low237 Ų237101.5 Ų101.589%0.89458%0.583SS**  trans-32.485.6-160.3-173.1-178.3-177.7-175.31.2113.2L819 T823L819-R821 PolarHBondContact O-N 2.7Å; R821-T823 PolarHBondContact O-N 3.4Å
822H34.5Very low43.7Very low77 Ų7799 Ų9936%0.35656%0.56SS.*  trans-56.1118.5-178.5-89.1-114000107.9F461 T820 G824F461-H822 AromaticContact CE2-CE1 3.93Å; F461-H822 AromaticContact CZ-CE1 3.63Å; F461-H822 AromaticContact CZ-NE2 3.94Å; T820-H822 VanDerWaalsContact C-N 3.33Å; T820-H822 PolarHBondContact O-CD2 2.96Å; T820-H822 PolarHBondContact O-N 3.06Å; H822-G824 PolarHBondContact O-N 2.83Å
823T30Very low46.7Very low99 Ų9992.7 Ų92.761%0.60752%0.522SS*.  trans-53131.5-171.7450000110.5R821 Q825R821-T823 PolarHBondContact O-N 3.4Å; T823-Q825 PolarHBondContact O-N 3.35Å
824G29Very low49.6Very low84 Ų8487.9 Ų87.987%0.86650%0.5SS*.  trans-70.355.7-170.300000115.4H822H822-G824 PolarHBondContact O-N 2.83Å
825Q34.7Very low52.3Low150 Ų15084.4 Ų84.470%0.70148%0.477SS*.  trans-83.5131.4163.7-73.2-175.5-17.300109.4T823 G827T823-Q825 PolarHBondContact O-N 3.35Å; Q825-G827 PolarHBondContact O-N 2.88Å
826V35.8Very low55.2Low133 Ų13380.3 Ų80.381%0.80645%0.449SS*.THydrogen-bonded Turntrans-70-3-165.3-171.80000113.7
827G43.8Very low58Low26 Ų2680.4 Ų80.427%0.26844%0.439SS..THydrogen-bonded Turntrans-94.8-32.3-175.600000116.8Q825 K829 L830Q825-G827 PolarHBondContact O-N 2.88Å; G827-K829 VanDerWaalsContact C-N 3.34Å; G827-K829 PolarHBondContact O-N 3.13Å; G827-L830 WeakPolarHBondContact O-CB 3.28Å; G827-L830 VanDerWaalsContact O-CG 3.32Å; G827-L830 WeakPolarHBondContact O-CG 3.36Å; G827-L830 PolarHBondContact O-N 3Å; G827-L830 VanDerWaalsContact O-N 3.16Å
828T57.3Low60.3Low42 Ų4281.5 Ų81.526%0.25845%0.448SS..G310 helixtrans-65.7-33.2-162.7-50.60000113.9L830T828-L830 PolarHBondContact O-N 3.5Å
829K76Confident62.6Low149 Ų14975.9 Ų75.965%0.64843%0.43SS*.G310 helixtrans-73.1-5.8-179.7-70.1-168.6173.7-164.60114.5G827 Y831 L837G827-K829 VanDerWaalsContact C-N 3.34Å; G827-K829 PolarHBondContact O-N 3.13Å; K829-Y831 PolarHBondContact O-N 3.22Å; K829-L837 HydrophobicContact CB-CD2 4.08Å; K829-L837 HydrophobicContact CD-CD2 3.89Å; K829-L837 HydrophobicContact CG-CD2 4.09Å
830L86.9Confident64.7Low16 Ų1675.3 Ų75.38%0.08443%0.427CS..G310 helixtrans-68.9-28.4-174.3-69.1170.8000113.9G827 T828 L853 V869 R876G827-L830 WeakPolarHBondContact O-CB 3.28Å; G827-L830 VanDerWaalsContact O-CG 3.32Å; G827-L830 WeakPolarHBondContact O-CG 3.36Å; G827-L830 PolarHBondContact O-N 3Å; G827-L830 VanDerWaalsContact O-N 3.16Å; T828-L830 PolarHBondContact O-N 3.5Å; L830-L853 WeakPolarHBondContact O-CD1 3.17Å; L830-V869 HydrophobicContact CD1-CG2 4.17Å; L830-R876 WeakPolarHBondContact O-CD 3.44Å; L830-R876 PolarHBondContact O-NH1 2.85Å
831Y91.9Very high66.9Low12 Ų1274.9 Ų74.95%0.04743%0.43CS..THydrogen-bonded Turntrans-96.6-26.9-178.9-54.1-84.1000113K778 P779 K829 S833 S850 L853 I854 E857 R868K778-Y831 HydrophobicContact CB-CD2 3.48Å; K778-Y831 VanDerWaalsContact CB-CD2 3.48Å; K778-Y831 HydrophobicContact CB-CE2 3.96Å; K778-Y831 HydrophobicContact CB-CG 3.85Å; P779-Y831 VanDerWaalsContact CD-CZ 3.41Å; P779-Y831 HydrophobicContact CG-CE1 4.08Å; K829-Y831 PolarHBondContact O-N 3.22Å; Y831-S833 PolarHBondContact O-N 3.23Å; Y831-S850 PolarHBondContact O-OG 3.32Å; Y831-L853 HydrophobicContact CD1-CB 3.98Å; Y831-L853 HydrophobicContact CD1-CD1 4.49Å; Y831-L853 HydrophobicContact CE1-CB 4.33Å; Y831-I854 HydrophobicContact CD1-CG1 4.19Å; Y831-I854 HydrophobicContact CE1-CG1 4.32Å; Y831-E857 PolarHBondContact OH-OE2 3.46Å; Y831-R868 PolarHBondContact OH-NH2 3.27Å
832M90.6Very high69.2Low45 Ų4567 Ų6722%0.22240%0.401CS..SBendtrans-54.1131-178.2-172.9172-82.900112.1Q836 L837 R876M832-Q836 HydrophobicContact CG-CB 3.36Å; M832-Q836 HydrophobicContact CG-CG 4.28Å; M832-Q836 HydrophobicContact SD-CB 4.08Å; M832-L837 HydrophobicContact CB-CD2 4.22Å; M832-L837 HydrophobicContact CB-CG 4.21Å; M832-L837 HydrophobicContact CG-CD2 4.01Å; M832-L837 HydrophobicContact CG-CG 3.89Å; M832-L837 HydrophobicContact SD-CD2 3.6Å; M832-L837 HydrophobicContact SD-CG 4.06Å; M832-R876 VanDerWaalsContact O-CZ 3.24Å; M832-R876 PolarHBondContact O-NH1 2.96Å; M832-R876 PolarHBondContact O-NH2 2.8Å
833S92.1Very high71.9Confident0 Ų065.7 Ų65.70%040%0.4CS..  trans-69.4164.3-175.573.80000112.8Y831 E835 Q836 L837 V846Y831-S833 PolarHBondContact O-N 3.23Å; S833-E835 VanDerWaalsContact C-N 3.35Å; S833-E835 WeakPolarHBondContact CB-OE1 3.39Å; S833-E835 PolarHBondContact O-N 2.63Å; S833-E835 PolarHBondContact OG-OE1 2.87Å; S833-E835 PolarHBondContact OG-OE2 2.69Å; S833-Q836 PolarHBondContact O-N 2.83Å; S833-Q836 WeakPolarHBondContact OG-CG 3.39Å; S833-Q836 PolarHBondContact OG-N 2.7Å; S833-Q836 PolarHBondContact OG-OE1 2.86Å; S833-L837 WeakPolarHBondContact O-CG 3.42Å; S833-L837 PolarHBondContact O-N 2.76Å; S833-V846 WeakPolarHBondContact OG-CG1 3.28Å
834P91.4Very high74.8Confident43 Ų4362.5 Ų62.528%0.27938%0.378SS..Hα-helixtrans-55.5-46.7179.1-2635.7000112.9Q836 L837 S838 Y849P834-Q836 PolarHBondContact O-N 2.94Å; P834-L837 PolarHBondContact O-N 3.45Å; P834-L837 VanDerWaalsContact O-N 3.17Å; P834-S838 PolarHBondContact O-N 2.9Å; P834-S838 PolarHBondContact O-OG 3.42Å; P834-Y849 HydrophobicContact CG-CE2 4.1Å
835E88.2Confident77.9Confident15 Ų1559.3 Ų59.37%0.0734%0.34CS..Hα-helixtrans-65.7-36.4-179.362.6-76.3173.200113.2S833 S838 G839 N840 V846 P903 R906S833-E835 VanDerWaalsContact C-N 3.35Å; S833-E835 WeakPolarHBondContact CB-OE1 3.39Å; S833-E835 PolarHBondContact O-N 2.63Å; S833-E835 PolarHBondContact OG-OE1 2.87Å; S833-E835 PolarHBondContact OG-OE2 2.69Å; E835-S838 PolarHBondContact O-N 3.44Å; E835-G839 PolarHBondContact O-N 3.12Å; E835-G839 VanDerWaalsContact O-N 3.1Å; E835-N840 HydrophobicContact CB-CB 4.39Å; E835-N840 PolarHBondContact O-N 3.21Å; E835-N840 VanDerWaalsContact O-N 3.11Å; E835-V846 HydrophobicContact CG-CG1 4.42Å; E835-P903 HydrophobicContact CG-CG 4.3Å; E835-R906 IonicContact OE1-CZ 3.75Å; E835-R906 IonicContact OE1-NH1 2.72Å; E835-R906 PolarHBondContact OE1-NH1 2.04Å; E835-R906 IonicContact OE1-NH2 2.91Å; E835-R906 PolarHBondContact OE1-NH2 3.49Å; E835-R906 IonicContact OE2-CZ 2.83Å; E835-R906 IonicContact OE2-NH1 3.04Å; E835-R906 IonicContact OE2-NH2 2.76Å; E835-R906 PolarHBondContact OE2-NH2 2.79Å
836Q86.6Confident80.7Confident25 Ų2552.1 Ų52.112%0.11731%0.307CS..Hα-helixtrans-65.5-38.6171.5-71.8179.2-51.300112.4R775 M832 S833 P834 G839 Y842 V846R775-Q836 PolarHBondContact O-NE2 3.25Å; M832-Q836 HydrophobicContact CG-CB 3.36Å; M832-Q836 HydrophobicContact CG-CG 4.28Å; M832-Q836 HydrophobicContact SD-CB 4.08Å; S833-Q836 PolarHBondContact O-N 2.83Å; S833-Q836 WeakPolarHBondContact OG-CG 3.39Å; S833-Q836 PolarHBondContact OG-N 2.7Å; S833-Q836 PolarHBondContact OG-OE1 2.86Å; P834-Q836 PolarHBondContact O-N 2.94Å; Q836-G839 PolarHBondContact O-N 2.79Å; Q836-Y842 HydrophobicContact CG-CD1 4.22Å; Q836-Y842 HydrophobicContact CG-CD2 4.33Å; Q836-Y842 HydrophobicContact CG-CE1 4.49Å; Q836-Y842 HydrophobicContact CG-CG 4.17Å; Q836-V846 HydrophobicContact CG-CB 4.14Å; Q836-V846 HydrophobicContact CG-CG1 3.58Å
837L86.6Confident83.6Confident72 Ų7245.8 Ų45.838%0.37727%0.268SS..Hα-helixtrans-69.7-32.1177.6-74.2171.2000112.7K829 M832 S833 P834K829-L837 HydrophobicContact CB-CD2 4.08Å; K829-L837 HydrophobicContact CD-CD2 3.89Å; K829-L837 HydrophobicContact CG-CD2 4.09Å; M832-L837 HydrophobicContact CB-CD2 4.22Å; M832-L837 HydrophobicContact CB-CG 4.21Å; M832-L837 HydrophobicContact CG-CD2 4.01Å; M832-L837 HydrophobicContact CG-CG 3.89Å; M832-L837 HydrophobicContact SD-CD2 3.6Å; M832-L837 HydrophobicContact SD-CG 4.06Å; S833-L837 WeakPolarHBondContact O-CG 3.42Å; S833-L837 PolarHBondContact O-N 2.76Å; P834-L837 PolarHBondContact O-N 3.45Å; P834-L837 VanDerWaalsContact O-N 3.17Å
838S83.4Confident86.1Confident86 Ų8644.6 Ų44.660%0.60126%0.256SS*.Hα-helixtrans-75.3-21.4173-69.30000113.6P834 E835P834-S838 PolarHBondContact O-N 2.9Å; P834-S838 PolarHBondContact O-OG 3.42Å; E835-S838 PolarHBondContact O-N 3.44Å
839G76.2Confident88Confident46 Ų4642.8 Ų42.847%0.47424%0.244SC..THydrogen-bonded Turntrans76.822.8-173.800000113.8E835 Q836E835-G839 PolarHBondContact O-N 3.12Å; E835-G839 VanDerWaalsContact O-N 3.1Å; Q836-G839 PolarHBondContact O-N 2.79Å
840N79Confident88.9Confident99 Ų9935.8 Ų35.853%0.52921%0.214SC..  trans-73.7176.7175.5-63.8-12.9000110.8E835 Y842E835-N840 HydrophobicContact CB-CB 4.39Å; E835-N840 PolarHBondContact O-N 3.21Å; E835-N840 VanDerWaalsContact O-N 3.11Å; N840-Y842 WeakPolarHBondContact O-CD1 3.36Å
841S77.2Confident89.4Confident117 Ų11735 Ų3582%0.81821%0.21SC*.  trans-62.8149159.548.60000110.7
842Y83.1Confident89.6Confident72 Ų7234.4 Ų34.428%0.28221%0.208SC..  trans-155.6147.5-178.161.6-96.3000111.8M773 R775 Q836 N840 V846M773-Y842 HydrophobicContact SD-CD2 4.09Å; M773-Y842 HydrophobicContact SD-CE2 3.93Å; R775-Y842 HydrophobicContact CG-CE2 3.99Å; R775-Y842 PolarHBondContact NE-OH 2.78Å; Q836-Y842 HydrophobicContact CG-CD1 4.22Å; Q836-Y842 HydrophobicContact CG-CD2 4.33Å; Q836-Y842 HydrophobicContact CG-CE1 4.49Å; Q836-Y842 HydrophobicContact CG-CG 4.17Å; N840-Y842 WeakPolarHBondContact O-CD1 3.36Å; Y842-V846 HydrophobicContact CD2-CG1 3.52Å; Y842-V846 HydrophobicContact CD2-CG2 4.32Å; Y842-V846 HydrophobicContact CE2-CG1 4.44Å; Y842-V846 HydrophobicContact CG-CG1 3.85Å
843S89.2Confident89.9Confident49 Ų4932.3 Ų32.334%0.34320%0.197SC..  trans-104.7-170.217964.50000112K845 V846S843-K845 PolarHBondContact O-N 3.31Å; S843-K845 VanDerWaalsContact O-N 3.09Å; S843-K845 WeakPolarHBondContact OG-CG 3.25Å; S843-V846 WeakPolarHBondContact O-CG1 3.46Å; S843-V846 WeakPolarHBondContact O-CG2 3.4Å; S843-V846 PolarHBondContact O-N 2.8Å
844H91.5Very high90.1Very high32 Ų3232.3 Ų32.315%0.14820%0.197CC..THydrogen-bonded Turntrans-57.8-18.9174.865.6-64.6000114.6H768 M773 M801 V846 D847 E908H768-H844 AromaticContact CE1-CD2 3.83Å; H768-H844 PolarHBondContact CE1-O 3.01Å; H768-H844 AromaticContact CG-CD2 3.96Å; H768-H844 AromaticContact ND1-CD2 3.5Å; H768-H844 PolarHBondContact ND1-CD2 3.36Å; M773-H844 HydrophobicContact CB-CB 4.13Å; M801-H844 HydrophobicContact CE-CB 3.52Å; M801-H844 HydrophobicContact SD-CB 3.97Å; H844-V846 PolarHBondContact O-N 3.36Å; H844-D847 WeakPolarHBondContact O-CB 3.23Å; H844-D847 PolarHBondContact O-N 3.09Å; H844-E908 IonicContact CD2-OE2 3.16Å; H844-E908 IonicContact CE1-OE2 3.13Å; H844-E908 IonicContact NE2-OE1 2.7Å; H844-E908 IonicContact NE2-OE2 2.7Å; H844-E908 PolarHBondContact NE2-OE2 2.82Å
845K94.9Very high90.4Very high16 Ų1630.2 Ų30.27%0.0718%0.184CC..Hα-helixtrans-57.6-12.1174.4-61.9-65.9-171.51770114.6S843 D847 I848 Y849 P903 R906 P907 E908S843-K845 PolarHBondContact O-N 3.31Å; S843-K845 VanDerWaalsContact O-N 3.09Å; S843-K845 WeakPolarHBondContact OG-CG 3.25Å; K845-D847 VanDerWaalsContact C-N 3.34Å; K845-I848 HydrophobicContact CD-CG1 4.34Å; K845-Y849 PolarHBondContact O-N 3.2Å; K845-P903 HydrophobicContact CB-CB 3.9Å; K845-P903 WeakPolarHBondContact CD-O 3.19Å; K845-P903 HydrophobicContact CG-CB 4.35Å; K845-P903 VanDerWaalsContact CG-O 3.3Å; K845-P903 WeakPolarHBondContact CG-O 3.46Å; K845-R906 HydrophobicContact CD-CB 4.34Å; K845-R906 PolarHBondContact NZ-O 3.14Å; K845-R906 PolarHBondContact O-NH1 2.84Å; K845-P907 PolarHBondContact NZ-O 3.4Å; K845-P907 VanDerWaalsContact NZ-O 3.08Å; K845-E908 WeakPolarHBondContact CE-OE1 3.12Å; K845-E908 WeakPolarHBondContact CE-OE2 3.41Å; K845-E908 IonicContact NZ-OE1 2.69Å; K845-E908 PolarHBondContact NZ-OE1 2.93Å; K845-E908 IonicContact NZ-OE2 2.83Å; K845-E908 PolarHBondContact NZ-OE2 3.33Å
846V93.9Very high90.7Very high0 Ų029.5 Ų29.50%018%0.18CC..Hα-helixtrans-64.6-35.9169.3-59.10000112.8R775 S833 E835 Q836 Y842 S843 H844 I848 Y849 S850R775-V846 HydrophobicContact CG-CG2 4.21Å; S833-V846 WeakPolarHBondContact OG-CG1 3.28Å; E835-V846 HydrophobicContact CG-CG1 4.42Å; Q836-V846 HydrophobicContact CG-CB 4.14Å; Q836-V846 HydrophobicContact CG-CG1 3.58Å; Y842-V846 HydrophobicContact CD2-CG1 3.52Å; Y842-V846 HydrophobicContact CD2-CG2 4.32Å; Y842-V846 HydrophobicContact CE2-CG1 4.44Å; Y842-V846 HydrophobicContact CG-CG1 3.85Å; S843-V846 WeakPolarHBondContact O-CG1 3.46Å; S843-V846 WeakPolarHBondContact O-CG2 3.4Å; S843-V846 PolarHBondContact O-N 2.8Å; H844-V846 PolarHBondContact O-N 3.36Å; V846-I848 VanDerWaalsContact C-N 3.35Å; V846-Y849 PolarHBondContact O-N 3.32Å; V846-S850 PolarHBondContact O-N 3.02Å; V846-S850 PolarHBondContact O-OG 3.24Å
847D95Very high91.2Very high0 Ų028.5 Ų28.50%018%0.176CC..Hα-helixtrans-71.7-35.8-179.6-61-30.1000110.1V764 H768 M773 H774 R775 H844 K845 S850 L851V764-D847 HydrophobicContact CG1-CB 3.96Å; H768-D847 IonicContact CD2-OD2 3.02Å; H768-D847 IonicContact CE1-OD2 2.71Å; H768-D847 IonicContact NE2-OD2 3.8Å; H768-D847 PolarHBondContact NE2-OD2 3.42Å; M773-D847 WeakPolarHBondContact CA-OD2 3.43Å; H774-D847 WeakPolarHBondContact CB-OD1 3.43Å; H774-D847 PolarHBondContact N-OD1 3.19Å; H774-D847 PolarHBondContact N-OD2 3.21Å; R775-D847 PolarHBondContact N-OD1 2.9Å; H844-D847 WeakPolarHBondContact O-CB 3.23Å; H844-D847 PolarHBondContact O-N 3.09Å; K845-D847 VanDerWaalsContact C-N 3.34Å; D847-S850 CarbonylContact O-C 3.57Å; D847-S850 WeakPolarHBondContact O-CB 3.43Å; D847-S850 PolarHBondContact O-N 2.91Å; D847-S850 VanDerWaalsContact O-N 3.14Å; D847-L851 WeakPolarHBondContact O-CG 3.5Å; D847-L851 PolarHBondContact O-N 3.27Å
848I97.1Very high91.6Very high0 Ų025.1 Ų25.10%016%0.158CC..Hα-helixtrans-62.9-42176-51.2-54.1000111.5K845 V846 S850 L851 G852 M898 R906 P907 A909 I912K845-I848 HydrophobicContact CD-CG1 4.34Å; V846-I848 VanDerWaalsContact C-N 3.35Å; I848-S850 VanDerWaalsContact C-N 3.29Å; I848-S850 PolarHBondContact O-N 2.85Å; I848-L851 HydrophobicContact CD1-CD1 4.19Å; I848-L851 WeakPolarHBondContact O-CB 3.44Å; I848-L851 PolarHBondContact O-N 2.97Å; I848-G852 PolarHBondContact O-N 2.81Å; I848-M898 HydrophobicContact CG2-CB 4.16Å; I848-M898 HydrophobicContact CG2-CG 3.85Å; I848-M898 HydrophobicContact CG2-SD 4.46Å; I848-R906 HydrophobicContact CB-CB 4.41Å; I848-R906 HydrophobicContact CG2-CB 3.92Å; I848-P907 HydrophobicContact CG2-CG 4.31Å; I848-A909 HydrophobicContact CD1-CB 4.08Å; I848-I912 HydrophobicContact CD1-CD1 4.18Å; I848-I912 HydrophobicContact CG2-CD1 3.99Å
849Y96.4Very high92.1Very high4 Ų421.9 Ų21.92%0.01613%0.134CC..Hα-helixtrans-63.2-37.9173.7-170-84.4000111.7P834 K845 V846 G852 L853 R876 M898 L899P834-Y849 HydrophobicContact CG-CE2 4.1Å; K845-Y849 PolarHBondContact O-N 3.2Å; V846-Y849 PolarHBondContact O-N 3.32Å; Y849-G852 PolarHBondContact O-N 2.8Å; Y849-L853 HydrophobicContact CD1-CD1 4.27Å; Y849-L853 HydrophobicContact CE1-CD1 3.83Å; Y849-L853 PolarHBondContact O-N 2.95Å; Y849-R876 PolarHBondContact OH-O 3.45Å; Y849-M898 WeakPolarHBondContact CA-O 3.5Å; Y849-L899 HydrophobicContact CD1-CD2 4.11Å; Y849-L899 HydrophobicContact CD2-CB 4.47Å; Y849-L899 HydrophobicContact CD2-CD2 3.86Å; Y849-L899 HydrophobicContact CE1-CD2 4.11Å; Y849-L899 HydrophobicContact CE2-CB 4.14Å; Y849-L899 HydrophobicContact CE2-CD2 3.86Å; Y849-L899 HydrophobicContact CG-CD2 3.98Å; Y849-L899 WeakPolarHBondContact O-CD2 3.21Å
850S95.9Very high92.9Very high2 Ų222 Ų221%0.01412%0.12CC..Hα-helixtrans-66.2-42.2175.7-55.70000111.8L777 Y831 V846 D847 I848 G852 L853 I854L777-S850 WeakPolarHBondContact O-CB 3.39Å; Y831-S850 PolarHBondContact O-OG 3.32Å; V846-S850 PolarHBondContact O-N 3.02Å; V846-S850 PolarHBondContact O-OG 3.24Å; D847-S850 CarbonylContact O-C 3.57Å; D847-S850 WeakPolarHBondContact O-CB 3.43Å; D847-S850 PolarHBondContact O-N 2.91Å; D847-S850 VanDerWaalsContact O-N 3.14Å; I848-S850 VanDerWaalsContact C-N 3.29Å; I848-S850 PolarHBondContact O-N 2.85Å; S850-G852 VanDerWaalsContact C-N 3.34Å; S850-G852 PolarHBondContact O-N 3.41Å; S850-L853 PolarHBondContact O-N 2.87Å; S850-I854 WeakPolarHBondContact O-CD1 3.49Å; S850-I854 VanDerWaalsContact O-CG1 3.29Å; S850-I854 WeakPolarHBondContact O-CG1 3.33Å; S850-I854 PolarHBondContact O-N 3.35Å; S850-I854 VanDerWaalsContact O-N 3.1Å
851L97.1Very high93.5Very high0 Ų018.3 Ų18.30%010%0.101CC..Hα-helixtrans-57.8-42.6173.8-75.6174.9000112.2F757 I760 V764 L777 D847 I848 L853 I854 L855 M898 I912F757-L851 HydrophobicContact CE2-CB 4.01Å; F757-L851 HydrophobicContact CE2-CD2 3.86Å; F757-L851 HydrophobicContact CE2-CG 4.49Å; F757-L851 WeakPolarHBondContact CE2-O 3.39Å; F757-L851 HydrophobicContact CZ-CB 4.16Å; F757-L851 HydrophobicContact CZ-CD2 4.28Å; I760-L851 HydrophobicContact CB-CD2 4.46Å; I760-L851 HydrophobicContact CG2-CD2 3.69Å; V764-L851 HydrophobicContact CB-CD1 4.23Å; V764-L851 HydrophobicContact CG1-CD1 4.09Å; V764-L851 HydrophobicContact CG2-CD1 4.3Å; V764-L851 HydrophobicContact CG2-CD2 4.29Å; V764-L851 HydrophobicContact CG2-CG 4.49Å; L777-L851 HydrophobicContact CD2-CD2 3.83Å; L777-L851 HydrophobicContact CD2-CG 3.9Å; D847-L851 WeakPolarHBondContact O-CG 3.5Å; D847-L851 PolarHBondContact O-N 3.27Å; I848-L851 HydrophobicContact CD1-CD1 4.19Å; I848-L851 WeakPolarHBondContact O-CB 3.44Å; I848-L851 PolarHBondContact O-N 2.97Å; L851-L853 VanDerWaalsContact C-N 3.31Å; L851-L853 PolarHBondContact O-N 3.34Å; L851-I854 PolarHBondContact O-N 3.15Å; L851-I854 VanDerWaalsContact O-N 3.12Å; L851-L855 PolarHBondContact O-N 2.85Å; L851-M898 HydrophobicContact CB-SD 3.75Å; L851-I912 HydrophobicContact CD1-CD1 4.44Å
852G96.8Very high94.2Very high0 Ų013.4 Ų13.40%07%0.066CC..Hα-helixtrans-57.3-41.1178.300000113.6I848 Y849 S850 F856 V895I848-G852 PolarHBondContact O-N 2.81Å; Y849-G852 PolarHBondContact O-N 2.8Å; S850-G852 VanDerWaalsContact C-N 3.34Å; S850-G852 PolarHBondContact O-N 3.41Å; G852-F856 PolarHBondContact O-N 2.75Å; G852-V895 WeakPolarHBondContact O-CG1 3.44Å
853L96.7Very high94.5Very high0 Ų019 Ų190%09%0.086CC..Hα-helixtrans-73.4-34.4175.9-71166.7000112.6L830 Y831 Y849 S850 L851 F856 E857 L872 V875 R876 L899L830-L853 WeakPolarHBondContact O-CD1 3.17Å; Y831-L853 HydrophobicContact CD1-CB 3.98Å; Y831-L853 HydrophobicContact CD1-CD1 4.49Å; Y831-L853 HydrophobicContact CE1-CB 4.33Å; Y849-L853 HydrophobicContact CD1-CD1 4.27Å; Y849-L853 HydrophobicContact CE1-CD1 3.83Å; Y849-L853 PolarHBondContact O-N 2.95Å; S850-L853 PolarHBondContact O-N 2.87Å; L851-L853 VanDerWaalsContact C-N 3.31Å; L851-L853 PolarHBondContact O-N 3.34Å; L853-F856 PolarHBondContact O-N 2.95Å; L853-E857 WeakPolarHBondContact O-CB 3.34Å; L853-E857 PolarHBondContact O-N 2.81Å; L853-L872 HydrophobicContact CD2-CD2 4.23Å; L853-V875 HydrophobicContact CD2-CG1 3.95Å; L853-R876 HydrophobicContact CD1-CG 3.97Å; L853-R876 HydrophobicContact CD2-CG 3.87Å; L853-L899 HydrophobicContact CD2-CD1 4Å; L853-L899 HydrophobicContact CD2-CD2 4.43Å; L853-L899 HydrophobicContact CG-CD1 4.28Å; L853-L899 HydrophobicContact CG-CD2 3.85Å
854I96.5Very high94.4Very high0 Ų020.3 Ų20.30%09%0.092CC..Hα-helixtrans-67.8-42.3176.9-67.6162.4000110.9L735 I760 L777 P779 I782 Y831 S850 L851 F856 E857 L858L735-I854 HydrophobicContact CD2-CG2 4.27Å; I760-I854 HydrophobicContact CD1-CG2 4.23Å; L777-I854 HydrophobicContact CD2-CD1 4.21Å; L777-I854 HydrophobicContact CG-CD1 3.91Å; P779-I854 HydrophobicContact CG-CG1 4.26Å; I782-I854 HydrophobicContact CD1-CD1 3.91Å; Y831-I854 HydrophobicContact CD1-CG1 4.19Å; Y831-I854 HydrophobicContact CE1-CG1 4.32Å; S850-I854 WeakPolarHBondContact O-CD1 3.49Å; S850-I854 VanDerWaalsContact O-CG1 3.29Å; S850-I854 WeakPolarHBondContact O-CG1 3.33Å; S850-I854 PolarHBondContact O-N 3.35Å; S850-I854 VanDerWaalsContact O-N 3.1Å; L851-I854 PolarHBondContact O-N 3.15Å; L851-I854 VanDerWaalsContact O-N 3.12Å; I854-F856 PolarHBondContact O-N 3.21Å; I854-E857 PolarHBondContact O-N 2.84Å; I854-L858 HydrophobicContact CG2-CD1 3.96Å; I854-L858 HydrophobicContact CG2-CG 4.4Å; I854-L858 WeakPolarHBondContact O-CB 3.45Å; I854-L858 VanDerWaalsContact O-CG 3.31Å; I854-L858 WeakPolarHBondContact O-CG 3.32Å; I854-L858 PolarHBondContact O-N 3.4Å
855L96.3Very high94.2Very high0 Ų023.9 Ų23.90%011%0.109CC..Hα-helixtrans-60.3-45.5174.7179.855.1000111.4L754 F757 L851 L858 L859 M894 V895 M898L754-L855 HydrophobicContact CD2-CD1 4.03Å; F757-L855 HydrophobicContact CB-CD1 4.18Å; F757-L855 HydrophobicContact CD1-CD1 4.18Å; F757-L855 HydrophobicContact CD2-CB 3.76Å; F757-L855 HydrophobicContact CD2-CD1 4.07Å; F757-L855 HydrophobicContact CD2-CG 4.4Å; F757-L855 HydrophobicContact CE1-CD2 4.31Å; F757-L855 HydrophobicContact CE2-CB 3.66Å; F757-L855 HydrophobicContact CE2-CG 4.48Å; F757-L855 HydrophobicContact CG-CB 4.39Å; F757-L855 HydrophobicContact CG-CD1 3.85Å; F757-L855 HydrophobicContact CZ-CB 4.21Å; F757-L855 HydrophobicContact CZ-CD2 4.29Å; L851-L855 PolarHBondContact O-N 2.85Å; L855-L858 PolarHBondContact O-N 3.01Å; L855-L859 HydrophobicContact CD1-CD1 3.85Å; L855-L859 HydrophobicContact CD1-CG 4.23Å; L855-L859 HydrophobicContact CG-CD1 4.22Å; L855-L859 WeakPolarHBondContact O-CG 3.48Å; L855-L859 PolarHBondContact O-N 2.66Å; L855-L859 VanDerWaalsContact O-N 3.15Å; L855-M894 HydrophobicContact CD2-CE 4.48Å; L855-M894 HydrophobicContact CD2-CG 4.33Å; L855-M894 HydrophobicContact CD2-SD 3.6Å; L855-V895 HydrophobicContact CB-CG2 4.03Å; L855-V895 HydrophobicContact CD2-CG2 3.75Å; L855-V895 HydrophobicContact CG-CG2 3.85Å; L855-M898 HydrophobicContact CB-CE 4.15Å; L855-M898 HydrophobicContact CD2-CE 3.56Å
856F96Very high93.9Very high0 Ų030.3 Ų30.30%014%0.141CC..Hα-helixtrans-62.2-43.1175.6175.5-98.6000112.5G852 L853 I854 L858 L859 Y860 F862 T871 L872 V875 F880 P881 F884 V895G852-F856 PolarHBondContact O-N 2.75Å; L853-F856 PolarHBondContact O-N 2.95Å; I854-F856 PolarHBondContact O-N 3.21Å; F856-L858 VanDerWaalsContact C-N 3.35Å; F856-L858 PolarHBondContact O-N 3.37Å; F856-L859 PolarHBondContact O-N 2.84Å; F856-Y860 HydrophobicContact CE1-CG 4.4Å; F856-Y860 HydrophobicContact CE2-CD2 4.29Å; F856-Y860 HydrophobicContact CE2-CG 4.13Å; F856-Y860 HydrophobicContact CZ-CD1 4.15Å; F856-Y860 HydrophobicContact CZ-CD2 4.17Å; F856-Y860 AromaticContact CZ-CG 3.73Å; F856-Y860 HydrophobicContact CZ-CG 3.73Å; F856-Y860 VanDerWaalsContact O-CB 3.3Å; F856-Y860 WeakPolarHBondContact O-CB 3.46Å; F856-Y860 PolarHBondContact O-N 3.07Å; F856-F862 HydrophobicContact CE1-CZ 4.01Å; F856-T871 HydrophobicContact CE1-CG2 3.92Å; F856-T871 HydrophobicContact CZ-CG2 3.78Å; F856-L872 HydrophobicContact CD1-CD2 3.83Å; F856-L872 HydrophobicContact CE1-CD2 4.2Å; F856-V875 HydrophobicContact CD1-CB 4.43Å; F856-V875 HydrophobicContact CD1-CG1 4.18Å; F856-V875 HydrophobicContact CD1-CG2 4.05Å; F856-V875 HydrophobicContact CD2-CG2 4.32Å; F856-V875 HydrophobicContact CE1-CB 4.43Å; F856-V875 HydrophobicContact CE1-CG2 3.7Å; F856-V875 HydrophobicContact CE2-CG2 4Å; F856-V875 HydrophobicContact CG-CG1 4.2Å; F856-V875 HydrophobicContact CG-CG2 4.35Å; F856-V875 HydrophobicContact CZ-CG2 3.69Å; F856-F880 HydrophobicContact CD2-CD1 4.27Å; F856-F880 HydrophobicContact CE2-CD1 4.37Å; F856-P881 HydrophobicContact CE2-CG 4.42Å; F856-P881 HydrophobicContact CZ-CG 4.05Å; F856-F884 AromaticContact CD2-CD1 3.93Å; F856-F884 HydrophobicContact CD2-CD1 3.93Å; F856-F884 HydrophobicContact CD2-CD2 4.27Å; F856-F884 AromaticContact CD2-CE1 3.74Å; F856-F884 HydrophobicContact CD2-CE1 3.74Å; F856-F884 HydrophobicContact CD2-CE2 4.1Å; F856-F884 HydrophobicContact CD2-CG 4.2Å; F856-F884 AromaticContact CD2-CZ 3.84Å; F856-F884 HydrophobicContact CD2-CZ 3.84Å; F856-F884 HydrophobicContact CE2-CB 4.37Å; F856-F884 AromaticContact CE2-CD1 3.81Å; F856-F884 HydrophobicContact CE2-CD1 3.81Å; F856-F884 HydrophobicContact CE2-CD2 4.15Å; F856-F884 HydrophobicContact CE2-CE1 4.12Å; F856-F884 HydrophobicContact CE2-CE2 4.44Å; F856-F884 AromaticContact CE2-CG 3.83Å; F856-F884 HydrophobicContact CE2-CG 3.83Å; F856-F884 HydrophobicContact CE2-CZ 4.43Å; F856-V895 HydrophobicContact CB-CG1 4.32Å; F856-V895 HydrophobicContact CB-CG2 4.4Å
857E95.6Very high93.8Very high4 Ų433.3 Ų33.32%0.01916%0.155CC..Hα-helixtrans-70.9-27.3178.6-164.6-179.3165.300113.5M739 R748 Y831 L853 I854 F862 R868 L872M739-E857 HydrophobicContact CE-CB 4.38Å; M739-E857 VanDerWaalsContact CE-CD 3.41Å; M739-E857 HydrophobicContact CE-CG 3.73Å; M739-E857 VanDerWaalsContact CE-OE1 3.24Å; M739-E857 WeakPolarHBondContact CE-OE1 3.44Å; M739-E857 HydrophobicContact SD-CB 4.26Å; M739-E857 HydrophobicContact SD-CG 3.83Å; M739-E857 VanDerWaalsContact SD-O 3.39Å; R748-E857 PolarHBondContact NH1-O 2.69Å; Y831-E857 PolarHBondContact OH-OE2 3.46Å; L853-E857 WeakPolarHBondContact O-CB 3.34Å; L853-E857 PolarHBondContact O-N 2.81Å; I854-E857 PolarHBondContact O-N 2.84Å; E857-F862 HydrophobicContact CG-CD2 4.44Å; E857-F862 HydrophobicContact CG-CE2 4.17Å; E857-R868 IonicContact OE1-CZ 2.69Å; E857-R868 IonicContact OE1-NE 3.03Å; E857-R868 PolarHBondContact OE1-NE 3.35Å; E857-R868 IonicContact OE1-NH2 2.71Å; E857-R868 PolarHBondContact OE1-NH2 3.3Å; E857-R868 IonicContact OE2-CZ 2.93Å; E857-R868 IonicContact OE2-NH2 2.91Å; E857-R868 PolarHBondContact OE2-NH2 2.98Å; E857-L872 HydrophobicContact CB-CD2 4.49Å
858L95.3Very high93.6Very high0 Ų034.3 Ų34.30%016%0.159CC..Hα-helixtrans-66.4-40.6171.1-82.3167.8000111.6L735 W738 M739 R748 C753 I756 F757 I854 L855 F856L735-L858 HydrophobicContact CD1-CD2 3.92Å; L735-L858 HydrophobicContact CD2-CD2 4.36Å; W738-L858 HydrophobicContact CZ3-CD2 4.37Å; M739-L858 HydrophobicContact SD-CD2 4.14Å; M739-L858 HydrophobicContact SD-CG 4.34Å; R748-L858 VanDerWaalsContact NH1-C 3.31Å; R748-L858 PolarHBondContact NH1-O 2.95Å; C753-L858 HydrophobicContact CB-CB 4.26Å; C753-L858 PolarHBondContact SG-O 2.91Å; I756-L858 HydrophobicContact CB-CD2 4.49Å; I756-L858 HydrophobicContact CG2-CD1 4.27Å; I756-L858 HydrophobicContact CG2-CD2 3.91Å; F757-L858 HydrophobicContact CB-CD1 3.83Å; F757-L858 HydrophobicContact CD2-CD1 4.23Å; I854-L858 HydrophobicContact CG2-CD1 3.96Å; I854-L858 HydrophobicContact CG2-CG 4.4Å; I854-L858 WeakPolarHBondContact O-CB 3.45Å; I854-L858 VanDerWaalsContact O-CG 3.31Å; I854-L858 WeakPolarHBondContact O-CG 3.32Å; I854-L858 PolarHBondContact O-N 3.4Å; L855-L858 PolarHBondContact O-N 3.01Å; F856-L858 VanDerWaalsContact C-N 3.35Å; F856-L858 PolarHBondContact O-N 3.37Å
859L93.6Very high93.3Very high18 Ų1836.1 Ų36.19%0.09417%0.17CC..Hα-helixtrans-88.3-28.7-176.9-62175.3000113.7L750 C753 L855 F856 P861 F884 E891L750-L859 HydrophobicContact CD1-CD2 3.49Å; L750-L859 VanDerWaalsContact CD1-CD2 3.49Å; C753-L859 HydrophobicContact CB-CD2 3.78Å; L855-L859 HydrophobicContact CD1-CD1 3.85Å; L855-L859 HydrophobicContact CD1-CG 4.23Å; L855-L859 HydrophobicContact CG-CD1 4.22Å; L855-L859 WeakPolarHBondContact O-CG 3.48Å; L855-L859 PolarHBondContact O-N 2.66Å; L855-L859 VanDerWaalsContact O-N 3.15Å; F856-L859 PolarHBondContact O-N 2.84Å; L859-P861 WeakPolarHBondContact O-CD 3.17Å; L859-F884 HydrophobicContact CB-CE2 3.79Å; L859-F884 HydrophobicContact CD1-CE2 4.01Å; L859-F884 HydrophobicContact CD1-CZ 4.32Å; L859-E891 HydrophobicContact CD1-CB 3.69Å; L859-E891 HydrophobicContact CD1-CG 3.92Å
860Y93.4Very high93.1Very high50 Ų5043.7 Ų43.720%0.19620%0.198CC..SBendtrans-107.5100.6-178.5-163.5-83.7000111.6F856 F862 P881 F884F856-Y860 HydrophobicContact CE1-CG 4.4Å; F856-Y860 HydrophobicContact CE2-CD2 4.29Å; F856-Y860 HydrophobicContact CE2-CG 4.13Å; F856-Y860 HydrophobicContact CZ-CD1 4.15Å; F856-Y860 HydrophobicContact CZ-CD2 4.17Å; F856-Y860 AromaticContact CZ-CG 3.73Å; F856-Y860 HydrophobicContact CZ-CG 3.73Å; F856-Y860 VanDerWaalsContact O-CB 3.3Å; F856-Y860 WeakPolarHBondContact O-CB 3.46Å; F856-Y860 PolarHBondContact O-N 3.07Å; Y860-F862 AromaticContact CD1-CD1 3.95Å; Y860-F862 HydrophobicContact CD1-CD1 3.95Å; Y860-F862 AromaticContact CD1-CE1 3.43Å; Y860-F862 HydrophobicContact CD1-CE1 3.43Å; Y860-F862 VanDerWaalsContact CD1-CE1 3.43Å; Y860-F862 HydrophobicContact CD1-CE2 4.24Å; Y860-F862 AromaticContact CD1-CZ 3.61Å; Y860-F862 HydrophobicContact CD1-CZ 3.61Å; Y860-F862 AromaticContact CE1-CD1 3.93Å; Y860-F862 HydrophobicContact CE1-CD1 3.93Å; Y860-F862 AromaticContact CE1-CE1 3.52Å; Y860-F862 HydrophobicContact CE1-CE1 3.52Å; Y860-F862 HydrophobicContact CE1-CZ 4.17Å; Y860-P881 HydrophobicContact CD2-CG 4.24Å; Y860-P881 HydrophobicContact CE2-CB 3.76Å; Y860-P881 HydrophobicContact CE2-CG 3.74Å; Y860-F884 HydrophobicContact CD2-CB 4.04Å; Y860-F884 HydrophobicContact CD2-CD2 4.5Å; Y860-F884 HydrophobicContact CE2-CB 4.44Å
861P92.9Very high93.1Very high20 Ų2044.4 Ų44.413%0.1320%0.202CC..  trans-73.4148.1177.729.7-33.7000112R742 P745 R748 L859R742-P861 WeakPolarHBondContact O-CB 3.42Å; P745-P861 HydrophobicContact CG-CG 4.24Å; R748-P861 HydrophobicContact CG-CB 4.02Å; R748-P861 HydrophobicContact CG-CG 4.16Å; L859-P861 WeakPolarHBondContact O-CD 3.17Å
862F91.5Very high92.9Very high15 Ų1544.4 Ų44.47%0.06620%0.203CC..  trans-118.3144.4-179.9-67.3-67.8000111.4C743 F856 E857 Y860 E867 R868 T871 L872C743-F862 WeakPolarHBondContact CB-O 3.48Å; C743-F862 PolarHBondContact SG-O 3.36Å; F856-F862 HydrophobicContact CE1-CZ 4.01Å; E857-F862 HydrophobicContact CG-CD2 4.44Å; E857-F862 HydrophobicContact CG-CE2 4.17Å; Y860-F862 AromaticContact CD1-CD1 3.95Å; Y860-F862 HydrophobicContact CD1-CD1 3.95Å; Y860-F862 AromaticContact CD1-CE1 3.43Å; Y860-F862 HydrophobicContact CD1-CE1 3.43Å; Y860-F862 VanDerWaalsContact CD1-CE1 3.43Å; Y860-F862 HydrophobicContact CD1-CE2 4.24Å; Y860-F862 AromaticContact CD1-CZ 3.61Å; Y860-F862 HydrophobicContact CD1-CZ 3.61Å; Y860-F862 AromaticContact CE1-CD1 3.93Å; Y860-F862 HydrophobicContact CE1-CD1 3.93Å; Y860-F862 AromaticContact CE1-CE1 3.52Å; Y860-F862 HydrophobicContact CE1-CE1 3.52Å; Y860-F862 HydrophobicContact CE1-CZ 4.17Å; F862-E867 HydrophobicContact CD1-CB 4.49Å; F862-E867 HydrophobicContact CD1-CG 3.81Å; F862-E867 HydrophobicContact CE1-CG 4.36Å; F862-R868 HydrophobicContact CB-CB 3.94Å; F862-R868 HydrophobicContact CD1-CB 4.08Å; F862-R868 HydrophobicContact CD2-CB 3.74Å; F862-R868 HydrophobicContact CD2-CG 3.59Å; F862-R868 HydrophobicContact CE2-CB 4.23Å; F862-R868 HydrophobicContact CE2-CG 3.9Å; F862-R868 HydrophobicContact CG-CB 3.64Å; F862-R868 HydrophobicContact CG-CG 4.05Å; F862-T871 HydrophobicContact CE1-CG2 3.89Å; F862-T871 HydrophobicContact CZ-CG2 4Å; F862-L872 HydrophobicContact CE2-CG 4.46Å; F862-L872 HydrophobicContact CZ-CG 4.49Å
863R88.2Confident92.8Very high189 Ų18948.1 Ų48.171%0.71323%0.225SC*.SBendtrans-94.9-23.8175.5-65.9-177.2176.1-172.4-1.1112.9E867R863-E867 PolarHBondContact N-OE2 3.04Å
864T88.7Confident92.7Very high76 Ų7650.4 Ų50.447%0.46624%0.236SC..  trans-137.4152.5178.272.30000112.8M866 E867 R868T864-M866 PolarHBondContact O-N 2.72Å; T864-E867 PolarHBondContact N-OE2 3.26Å; T864-E867 PolarHBondContact O-N 2.98Å; T864-E867 WeakPolarHBondContact OG1-CB 3.35Å; T864-E867 PolarHBondContact OG1-N 3.29Å; T864-E867 VanDerWaalsContact OG1-N 3.12Å; T864-R868 WeakPolarHBondContact O-CB 2.81Å; T864-R868 PolarHBondContact O-N 2.88Å
865Q86.6Confident92.6Very high107 Ų10750.4 Ų50.450%0.524%0.236SC..Hα-helixtrans-63-30.3174.3-173.463.619.500112.3V869Q865-V869 HydrophobicContact CG-CG2 4.44Å; Q865-V869 WeakPolarHBondContact O-CB 3.41Å; Q865-V869 WeakPolarHBondContact O-CG2 3.32Å; Q865-V869 PolarHBondContact O-N 3.09Å
866M87.6Confident92.5Very high151 Ų15152.8 Ų52.874%0.74425%0.245SC*.Hα-helixtrans-69.5-46.9178.9-173.162.771.500111.6T864 V869 R870T864-M866 PolarHBondContact O-N 2.72Å; M866-V869 PolarHBondContact O-N 3.34Å; M866-R870 WeakPolarHBondContact O-CB 3.43Å; M866-R870 PolarHBondContact O-N 2.9Å
867E92.4Very high92.4Very high63 Ų6356 Ų5629%0.29427%0.272SS..Hα-helixtrans-55.6-52.6171.9-179.5-167.4-162.400110.7F862 R863 T864 V869 R870 T871F862-E867 HydrophobicContact CD1-CB 4.49Å; F862-E867 HydrophobicContact CD1-CG 3.81Å; F862-E867 HydrophobicContact CE1-CG 4.36Å; R863-E867 PolarHBondContact N-OE2 3.04Å; T864-E867 PolarHBondContact N-OE2 3.26Å; T864-E867 PolarHBondContact O-N 2.98Å; T864-E867 WeakPolarHBondContact OG1-CB 3.35Å; T864-E867 PolarHBondContact OG1-N 3.29Å; T864-E867 VanDerWaalsContact OG1-N 3.12Å; E867-V869 PolarHBondContact O-N 2.95Å; E867-R870 PolarHBondContact O-N 2.84Å; E867-R870 VanDerWaalsContact O-N 3.15Å; E867-T871 PolarHBondContact O-N 2.77Å; E867-T871 PolarHBondContact O-OG1 2.84Å
868R91.8Very high92.3Very high22 Ų2258.5 Ų58.58%0.08329%0.285CS..Hα-helixtrans-53.1-50.4177-179.6179.4179.1-788113.2Y831 E857 F862 T864 L872Y831-R868 PolarHBondContact OH-NH2 3.27Å; E857-R868 IonicContact OE1-CZ 2.69Å; E857-R868 IonicContact OE1-NE 3.03Å; E857-R868 PolarHBondContact OE1-NE 3.35Å; E857-R868 IonicContact OE1-NH2 2.71Å; E857-R868 PolarHBondContact OE1-NH2 3.3Å; E857-R868 IonicContact OE2-CZ 2.93Å; E857-R868 IonicContact OE2-NH2 2.91Å; E857-R868 PolarHBondContact OE2-NH2 2.98Å; F862-R868 HydrophobicContact CB-CB 3.94Å; F862-R868 HydrophobicContact CD1-CB 4.08Å; F862-R868 HydrophobicContact CD2-CB 3.74Å; F862-R868 HydrophobicContact CD2-CG 3.59Å; F862-R868 HydrophobicContact CE2-CB 4.23Å; F862-R868 HydrophobicContact CE2-CG 3.9Å; F862-R868 HydrophobicContact CG-CB 3.64Å; F862-R868 HydrophobicContact CG-CG 4.05Å; T864-R868 WeakPolarHBondContact O-CB 2.81Å; T864-R868 PolarHBondContact O-N 2.88Å; R868-L872 HydrophobicContact CG-CD1 3.9Å; R868-L872 VanDerWaalsContact O-CB 3.3Å; R868-L872 WeakPolarHBondContact O-CB 3.49Å; R868-L872 VanDerWaalsContact O-CG 3.25Å; R868-L872 WeakPolarHBondContact O-CG 3.37Å; R868-L872 PolarHBondContact O-N 2.87Å
869V90.4Very high92.3Very high38 Ų3866.1 Ų66.123%0.2331%0.313CS..Hα-helixtrans-61.9-44.2178.41690000110.9L830 Q865 M866 E867 T873L830-V869 HydrophobicContact CD1-CG2 4.17Å; Q865-V869 HydrophobicContact CG-CG2 4.44Å; Q865-V869 WeakPolarHBondContact O-CB 3.41Å; Q865-V869 WeakPolarHBondContact O-CG2 3.32Å; Q865-V869 PolarHBondContact O-N 3.09Å; M866-V869 PolarHBondContact O-N 3.34Å; E867-V869 PolarHBondContact O-N 2.95Å; V869-T873 WeakPolarHBondContact O-CB 3.32Å; V869-T873 PolarHBondContact O-N 2.9Å; V869-T873 VanDerWaalsContact O-N 3.1Å; V869-T873 PolarHBondContact O-OG1 2.89Å
870R92.8Very high92.3Very high162 Ų16266.6 Ų66.661%0.61132%0.315SS*.Hα-helixtrans-63.5-54.9178.8179.3-179167.7-167.6-11.5111.7M866 E867 L872 T873 E874M866-R870 WeakPolarHBondContact O-CB 3.43Å; M866-R870 PolarHBondContact O-N 2.9Å; E867-R870 PolarHBondContact O-N 2.84Å; E867-R870 VanDerWaalsContact O-N 3.15Å; R870-L872 PolarHBondContact O-N 3.49Å; R870-T873 WeakPolarHBondContact O-CA 3.5Å; R870-T873 WeakPolarHBondContact O-CB 3.38Å; R870-T873 PolarHBondContact O-N 2.86Å; R870-T873 VanDerWaalsContact O-N 3.08Å; R870-E874 IonicContact CZ-OE1 3.39Å; R870-E874 VanDerWaalsContact CZ-OE1 3.29Å; R870-E874 IonicContact NE-OE1 3.95Å; R870-E874 PolarHBondContact NE-OE1 3.39Å; R870-E874 IonicContact NH2-OE1 3.66Å; R870-E874 PolarHBondContact NH2-OE1 2.81Å; R870-E874 PolarHBondContact O-N 2.88Å
871T94.3Very high92.3Very high17 Ų1765.5 Ų65.510%0.10431%0.314CS..Hα-helixtrans-66.3-39-175.3-56.90000111.9F856 F862 E867 T873 E874 V875 P881F856-T871 HydrophobicContact CE1-CG2 3.92Å; F856-T871 HydrophobicContact CZ-CG2 3.78Å; F862-T871 HydrophobicContact CE1-CG2 3.89Å; F862-T871 HydrophobicContact CZ-CG2 4Å; E867-T871 PolarHBondContact O-N 2.77Å; E867-T871 PolarHBondContact O-OG1 2.84Å; T871-T873 VanDerWaalsContact C-N 3.29Å; T871-T873 PolarHBondContact O-N 2.85Å; T871-E874 PolarHBondContact O-N 3.31Å; T871-V875 HydrophobicContact CG2-CG2 4.5Å; T871-V875 WeakPolarHBondContact O-CB 3.43Å; T871-V875 WeakPolarHBondContact O-CG2 3.37Å; T871-V875 PolarHBondContact O-N 2.86Å; T871-P881 HydrophobicContact CG2-CG 3.74Å
872L94.1Very high92.2Very high1 Ų170.8 Ų70.81%0.00534%0.337CS..Hα-helixtrans-62.7-36.5172-69.8172.8000111.7L853 F856 E857 F862 R868 R870 V875 R876L853-L872 HydrophobicContact CD2-CD2 4.23Å; F856-L872 HydrophobicContact CD1-CD2 3.83Å; F856-L872 HydrophobicContact CE1-CD2 4.2Å; E857-L872 HydrophobicContact CB-CD2 4.49Å; F862-L872 HydrophobicContact CE2-CG 4.46Å; F862-L872 HydrophobicContact CZ-CG 4.49Å; R868-L872 HydrophobicContact CG-CD1 3.9Å; R868-L872 VanDerWaalsContact O-CB 3.3Å; R868-L872 WeakPolarHBondContact O-CB 3.49Å; R868-L872 VanDerWaalsContact O-CG 3.25Å; R868-L872 WeakPolarHBondContact O-CG 3.37Å; R868-L872 PolarHBondContact O-N 2.87Å; R870-L872 PolarHBondContact O-N 3.49Å; L872-V875 PolarHBondContact O-N 2.82Å; L872-R876 VanDerWaalsContact O-CG 3.26Å; L872-R876 WeakPolarHBondContact O-CG 3.48Å; L872-R876 PolarHBondContact O-N 3.45Å
873T93.2Very high92Very high77 Ų7775.7 Ų75.747%0.47236%0.363SS..Hα-helixtrans-67.6-37.6174.7-55.40000112.2V869 R870 T871V869-T873 WeakPolarHBondContact O-CB 3.32Å; V869-T873 PolarHBondContact O-N 2.9Å; V869-T873 VanDerWaalsContact O-N 3.1Å; V869-T873 PolarHBondContact O-OG1 2.89Å; R870-T873 WeakPolarHBondContact O-CA 3.5Å; R870-T873 WeakPolarHBondContact O-CB 3.38Å; R870-T873 PolarHBondContact O-N 2.86Å; R870-T873 VanDerWaalsContact O-N 3.08Å; T871-T873 VanDerWaalsContact C-N 3.29Å; T871-T873 PolarHBondContact O-N 2.85Å
874E94.9Very high92.1Very high49 Ų4967 Ų6723%0.22933%0.33CS..Hα-helixtrans-67-41.3173.3-68.9179.5-169.400111.3R870 T871 R876 A877 L878 R879R870-E874 IonicContact CZ-OE1 3.39Å; R870-E874 VanDerWaalsContact CZ-OE1 3.29Å; R870-E874 IonicContact NE-OE1 3.95Å; R870-E874 PolarHBondContact NE-OE1 3.39Å; R870-E874 IonicContact NH2-OE1 3.66Å; R870-E874 PolarHBondContact NH2-OE1 2.81Å; R870-E874 PolarHBondContact O-N 2.88Å; T871-E874 PolarHBondContact O-N 3.31Å; E874-R876 PolarHBondContact O-N 3.46Å; E874-A877 CarbonylContact O-C 3.56Å; E874-A877 WeakPolarHBondContact O-CA 3.48Å; E874-A877 WeakPolarHBondContact O-CB 3.36Å; E874-A877 PolarHBondContact O-N 3.04Å; E874-L878 PolarHBondContact O-N 2.99Å; E874-R879 CarbonylContact C-O 3.41Å; E874-R879 HydrophobicContact CB-CB 4.34Å; E874-R879 WeakPolarHBondContact O-CB 3.29Å; E874-R879 PolarHBondContact O-N 3.1Å
875V95.4Very high92.1Very high0 Ų065.3 Ų65.30%032%0.322CS..Hα-helixtrans-67.3-34.8177.6164.90000112.9L853 F856 T871 L872 A877 L878 R879 F880 L899L853-V875 HydrophobicContact CD2-CG1 3.95Å; F856-V875 HydrophobicContact CD1-CB 4.43Å; F856-V875 HydrophobicContact CD1-CG1 4.18Å; F856-V875 HydrophobicContact CD1-CG2 4.05Å; F856-V875 HydrophobicContact CD2-CG2 4.32Å; F856-V875 HydrophobicContact CE1-CB 4.43Å; F856-V875 HydrophobicContact CE1-CG2 3.7Å; F856-V875 HydrophobicContact CE2-CG2 4Å; F856-V875 HydrophobicContact CG-CG1 4.2Å; F856-V875 HydrophobicContact CG-CG2 4.35Å; F856-V875 HydrophobicContact CZ-CG2 3.69Å; T871-V875 HydrophobicContact CG2-CG2 4.5Å; T871-V875 WeakPolarHBondContact O-CB 3.43Å; T871-V875 WeakPolarHBondContact O-CG2 3.37Å; T871-V875 PolarHBondContact O-N 2.86Å; L872-V875 PolarHBondContact O-N 2.82Å; V875-A877 PolarHBondContact O-N 2.82Å; V875-L878 WeakPolarHBondContact O-CA 3.36Å; V875-L878 PolarHBondContact O-N 2.99Å; V875-R879 WeakPolarHBondContact CA-O 3.32Å; V875-R879 WeakPolarHBondContact CG2-O 3.5Å; V875-R879 PolarHBondContact N-O 2.74Å; V875-F880 HydrophobicContact CB-CE1 4.43Å; V875-F880 HydrophobicContact CG1-CD1 4.17Å; V875-F880 HydrophobicContact CG1-CE1 3.64Å; V875-F880 HydrophobicContact CG1-CZ 4.21Å; V875-F880 HydrophobicContact CG2-CD1 3.79Å; V875-F880 HydrophobicContact CG2-CE1 4.14Å; V875-F880 HydrophobicContact CG2-CG 4.38Å; V875-L899 HydrophobicContact CG1-CD1 3.67Å
876R94.4Very high92.2Very high49 Ų4968.7 Ų68.719%0.18533%0.33CS..Hα-helixtrans-59.8-24.7169.4-74.8176.568.788.413.9113.5L830 M832 Y849 L853 L872 E874 L878L830-R876 WeakPolarHBondContact O-CD 3.44Å; L830-R876 PolarHBondContact O-NH1 2.85Å; M832-R876 VanDerWaalsContact O-CZ 3.24Å; M832-R876 PolarHBondContact O-NH1 2.96Å; M832-R876 PolarHBondContact O-NH2 2.8Å; Y849-R876 PolarHBondContact OH-O 3.45Å; L853-R876 HydrophobicContact CD1-CG 3.97Å; L853-R876 HydrophobicContact CD2-CG 3.87Å; L872-R876 VanDerWaalsContact O-CG 3.26Å; L872-R876 WeakPolarHBondContact O-CG 3.48Å; L872-R876 PolarHBondContact O-N 3.45Å; E874-R876 PolarHBondContact O-N 3.46Å; R876-L878 VanDerWaalsContact C-N 3.32Å
877A92.8Very high92.1Very high68 Ų6867.5 Ų67.556%0.56233%0.327SS*.THydrogen-bonded Turntrans-9520.1171.900000112.6E874 V875 R879E874-A877 CarbonylContact O-C 3.56Å; E874-A877 WeakPolarHBondContact O-CA 3.48Å; E874-A877 WeakPolarHBondContact O-CB 3.36Å; E874-A877 PolarHBondContact O-N 3.04Å; V875-A877 PolarHBondContact O-N 2.82Å; A877-R879 PolarHBondContact O-N 2.77Å
878L94.4Very high91.9Very high56 Ų5665.8 Ų65.829%0.29332%0.32SS..THydrogen-bonded Turntrans57.223.3-178-57.3178.5000114.9E874 V875 R876 F880 L899E874-L878 PolarHBondContact O-N 2.99Å; V875-L878 WeakPolarHBondContact O-CA 3.36Å; V875-L878 PolarHBondContact O-N 2.99Å; R876-L878 VanDerWaalsContact C-N 3.32Å; L878-F880 HydrophobicContact CB-CE2 4.26Å; L878-F880 HydrophobicContact CD2-CE2 4.35Å; L878-F880 HydrophobicContact CD2-CZ 4.35Å; L878-F880 VanDerWaalsContact O-CD2 3.24Å; L878-F880 WeakPolarHBondContact O-CD2 3.34Å; L878-F880 VanDerWaalsContact O-CE2 3.32Å; L878-F880 WeakPolarHBondContact O-CE2 3.18Å; L878-L899 HydrophobicContact CD2-CB 3.7Å
879R94.3Very high91.8Very high160 Ų16067.5 Ų67.560%0.60434%0.339SS*.  trans-100.7114.3173.5-64.5-179.662-143.7-8109.9E874 V875 A877E874-R879 CarbonylContact C-O 3.41Å; E874-R879 HydrophobicContact CB-CB 4.34Å; E874-R879 WeakPolarHBondContact O-CB 3.29Å; E874-R879 PolarHBondContact O-N 3.1Å; V875-R879 WeakPolarHBondContact CA-O 3.32Å; V875-R879 WeakPolarHBondContact CG2-O 3.5Å; V875-R879 PolarHBondContact N-O 2.74Å; A877-R879 PolarHBondContact O-N 2.77Å
880F94.3Very high91.7Very high29 Ų2971.5 Ų71.513%0.12736%0.355CS..  trans-108.5150.8-173.7-62.5-93.6000111.4F856 V875 L878 F884 L892 V895F856-F880 HydrophobicContact CD2-CD1 4.27Å; F856-F880 HydrophobicContact CE2-CD1 4.37Å; V875-F880 HydrophobicContact CB-CE1 4.43Å; V875-F880 HydrophobicContact CG1-CD1 4.17Å; V875-F880 HydrophobicContact CG1-CE1 3.64Å; V875-F880 HydrophobicContact CG1-CZ 4.21Å; V875-F880 HydrophobicContact CG2-CD1 3.79Å; V875-F880 HydrophobicContact CG2-CE1 4.14Å; V875-F880 HydrophobicContact CG2-CG 4.38Å; L878-F880 HydrophobicContact CB-CE2 4.26Å; L878-F880 HydrophobicContact CD2-CE2 4.35Å; L878-F880 HydrophobicContact CD2-CZ 4.35Å; L878-F880 VanDerWaalsContact O-CD2 3.24Å; L878-F880 WeakPolarHBondContact O-CD2 3.34Å; L878-F880 VanDerWaalsContact O-CE2 3.32Å; L878-F880 WeakPolarHBondContact O-CE2 3.18Å; F880-F884 HydrophobicContact CB-CD1 4.49Å; F880-F884 HydrophobicContact CD1-CD1 4.15Å; F880-F884 HydrophobicContact CD1-CE1 4.15Å; F880-L892 HydrophobicContact CB-CD1 4Å; F880-L892 HydrophobicContact CD1-CD1 3.48Å; F880-L892 VanDerWaalsContact CD1-CD1 3.48Å; F880-L892 HydrophobicContact CD2-CD1 3.5Å; F880-L892 VanDerWaalsContact CD2-CD1 3.5Å; F880-L892 HydrophobicContact CE1-CD1 3.73Å; F880-L892 HydrophobicContact CE2-CD1 3.75Å; F880-L892 HydrophobicContact CG-CD1 3.36Å; F880-L892 HydrophobicContact CZ-CD1 3.87Å; F880-V895 HydrophobicContact CE1-CB 4.38Å; F880-V895 HydrophobicContact CE1-CG1 3.64Å; F880-V895 HydrophobicContact CZ-CG1 3.97Å
881P94Very high91.6Very high26 Ų2664.3 Ų64.317%0.16933%0.328CS..  trans-58.1141.3169.8-23.934.6000111.9F856 Y860 T871 L883 F884 S885F856-P881 HydrophobicContact CE2-CG 4.42Å; F856-P881 HydrophobicContact CZ-CG 4.05Å; Y860-P881 HydrophobicContact CD2-CG 4.24Å; Y860-P881 HydrophobicContact CE2-CB 3.76Å; Y860-P881 HydrophobicContact CE2-CG 3.74Å; T871-P881 HydrophobicContact CG2-CG 3.74Å; P881-L883 VanDerWaalsContact C-N 3.31Å; P881-L883 PolarHBondContact O-N 3.32Å; P881-F884 HydrophobicContact CB-CB 4.29Å; P881-F884 PolarHBondContact O-N 2.72Å; P881-S885 WeakPolarHBondContact O-CB 3.48Å; P881-S885 PolarHBondContact O-N 2.66Å; P881-S885 PolarHBondContact O-OG 3.09Å
882E89.6Confident91.5Very high132 Ų13264.2 Ų64.262%0.61733%0.327SS*.Hα-helixtrans-61-38.5179.1-73-169.8-135.200112.9S885 R886E882-S885 PolarHBondContact O-N 3.28Å; E882-R886 WeakPolarHBondContact O-CG 3.19Å; E882-R886 PolarHBondContact O-N 3.04Å; E882-R886 IonicContact OE2-CZ 3.67Å; E882-R886 IonicContact OE2-NE 2.77Å; E882-R886 IonicContact OE2-NH2 3.3Å; E882-R886 PolarHBondContact OE2-NH2 2.99Å
883L87.4Confident91.5Very high118 Ų11868.6 Ų68.662%0.61835%0.354SS*.Hα-helixtrans-63.3-45.6-180-63.7176000111.5P881 S885 R886 N887P881-L883 VanDerWaalsContact C-N 3.31Å; P881-L883 PolarHBondContact O-N 3.32Å; L883-S885 VanDerWaalsContact C-N 3.31Å; L883-S885 PolarHBondContact O-N 2.81Å; L883-R886 PolarHBondContact O-N 3.1Å; L883-N887 WeakPolarHBondContact O-CB 3.47Å; L883-N887 VanDerWaalsContact O-CG 3.31Å; L883-N887 PolarHBondContact O-N 2.8Å; L883-N887 VanDerWaalsContact O-N 3.1Å; L883-N887 PolarHBondContact O-OD1 2.85Å
884F90Very high91.4Very high5 Ų565 Ų652%0.02233%0.332CS..Hα-helixtrans-59.4-45172.6-177.9-104.7000110.9F856 L859 Y860 F880 P881 R886 N887 N888 L892F856-F884 AromaticContact CD2-CD1 3.93Å; F856-F884 HydrophobicContact CD2-CD1 3.93Å; F856-F884 HydrophobicContact CD2-CD2 4.27Å; F856-F884 AromaticContact CD2-CE1 3.74Å; F856-F884 HydrophobicContact CD2-CE1 3.74Å; F856-F884 HydrophobicContact CD2-CE2 4.1Å; F856-F884 HydrophobicContact CD2-CG 4.2Å; F856-F884 AromaticContact CD2-CZ 3.84Å; F856-F884 HydrophobicContact CD2-CZ 3.84Å; F856-F884 HydrophobicContact CE2-CB 4.37Å; F856-F884 AromaticContact CE2-CD1 3.81Å; F856-F884 HydrophobicContact CE2-CD1 3.81Å; F856-F884 HydrophobicContact CE2-CD2 4.15Å; F856-F884 HydrophobicContact CE2-CE1 4.12Å; F856-F884 HydrophobicContact CE2-CE2 4.44Å; F856-F884 AromaticContact CE2-CG 3.83Å; F856-F884 HydrophobicContact CE2-CG 3.83Å; F856-F884 HydrophobicContact CE2-CZ 4.43Å; L859-F884 HydrophobicContact CB-CE2 3.79Å; L859-F884 HydrophobicContact CD1-CE2 4.01Å; L859-F884 HydrophobicContact CD1-CZ 4.32Å; Y860-F884 HydrophobicContact CD2-CB 4.04Å; Y860-F884 HydrophobicContact CD2-CD2 4.5Å; Y860-F884 HydrophobicContact CE2-CB 4.44Å; F880-F884 HydrophobicContact CB-CD1 4.49Å; F880-F884 HydrophobicContact CD1-CD1 4.15Å; F880-F884 HydrophobicContact CD1-CE1 4.15Å; P881-F884 HydrophobicContact CB-CB 4.29Å; P881-F884 PolarHBondContact O-N 2.72Å; F884-R886 PolarHBondContact O-N 3.36Å; F884-N887 PolarHBondContact O-N 3.17Å; F884-N888 HydrophobicContact CD2-CB 3.98Å; F884-N888 HydrophobicContact CE2-CB 3.66Å; F884-N888 HydrophobicContact CZ-CB 4.02Å; F884-N888 PolarHBondContact O-N 3.38Å; F884-L892 HydrophobicContact CD1-CD1 4.3Å; F884-L892 HydrophobicContact CE1-CB 3.96Å; F884-L892 HydrophobicContact CE1-CD1 4.03Å
885S90.3Very high91.5Very high42 Ų4262.7 Ų62.729%0.29432%0.321SS..Hα-helixtrans-67.7-18.7-177-51.80000114.5P881 E882 L883P881-S885 WeakPolarHBondContact O-CB 3.48Å; P881-S885 PolarHBondContact O-N 2.66Å; P881-S885 PolarHBondContact O-OG 3.09Å; E882-S885 PolarHBondContact O-N 3.28Å; L883-S885 VanDerWaalsContact C-N 3.31Å; L883-S885 PolarHBondContact O-N 2.81Å
886R87.1Confident91.5Very high178 Ų17868.1 Ų68.167%0.67234%0.341SS*.Hα-helixtrans-93.4-30.9174.5-67.2174.7-162.5-161.47.9112.8E882 L883 F884E882-R886 WeakPolarHBondContact O-CG 3.19Å; E882-R886 PolarHBondContact O-N 3.04Å; E882-R886 IonicContact OE2-CZ 3.67Å; E882-R886 IonicContact OE2-NE 2.77Å; E882-R886 IonicContact OE2-NH2 3.3Å; E882-R886 PolarHBondContact OE2-NH2 2.99Å; L883-R886 PolarHBondContact O-N 3.1Å; F884-R886 PolarHBondContact O-N 3.36Å
887N85.9Confident91.5Very high126 Ų12668 Ų6867%0.67435%0.348SS*.Hα-helixtrans-94.3-28.3-173.1-67.59.3000113.6L883 F884L883-N887 WeakPolarHBondContact O-CB 3.47Å; L883-N887 VanDerWaalsContact O-CG 3.31Å; L883-N887 PolarHBondContact O-N 2.8Å; L883-N887 VanDerWaalsContact O-N 3.1Å; L883-N887 PolarHBondContact O-OD1 2.85Å; F884-N887 PolarHBondContact O-N 3.17Å
888N87.9Confident91.7Very high26 Ų2664.7 Ų64.714%0.13932%0.321CS..  trans-129.363-170.4-62100.3000110.6F884 E891 L892F884-N888 HydrophobicContact CD2-CB 3.98Å; F884-N888 HydrophobicContact CE2-CB 3.66Å; F884-N888 HydrophobicContact CZ-CB 4.02Å; F884-N888 PolarHBondContact O-N 3.38Å; N888-E891 WeakPolarHBondContact CA-OE2 3.48Å; N888-E891 HydrophobicContact CB-CB 4.32Å; N888-E891 WeakPolarHBondContact CB-OE2 3.47Å; N888-E891 PolarHBondContact ND2-OE1 3.02Å; N888-L892 WeakPolarHBondContact O-CB 3.04Å; N888-L892 PolarHBondContact O-N 3.28Å
889A89.2Confident91.8Very high59 Ų5962.1 Ų62.149%0.48831%0.307SS..Hα-helixtrans-72.3-33.7-170.800000113.9E891 T893A889-E891 PolarHBondContact N-OE2 2.67Å; A889-T893 PolarHBondContact O-N 3.07Å; A889-T893 PolarHBondContact O-OG1 3.16Å
890E88.4Confident91.9Very high121 Ų12154.9 Ų54.957%0.56528%0.282SS*.Hα-helixtrans-76.7-43.9178.7-61.4-167.2-176.400110.2T893 M894E890-T893 WeakPolarHBondContact O-CB 3.41Å; E890-T893 PolarHBondContact O-N 3.18Å; E890-T893 VanDerWaalsContact O-N 3.09Å; E890-M894 PolarHBondContact O-N 3.46Å
891E91.4Very high91.8Very high11 Ų1157.9 Ų57.95%0.05130%0.304CS..Hα-helixtrans-68.8-36.2178.4-43.594.6121.200111L750 L859 N888 A889 T893 M894 V895 L917L750-E891 WeakPolarHBondContact CD1-OE1 3.48Å; L859-E891 HydrophobicContact CD1-CB 3.69Å; L859-E891 HydrophobicContact CD1-CG 3.92Å; N888-E891 WeakPolarHBondContact CA-OE2 3.48Å; N888-E891 HydrophobicContact CB-CB 4.32Å; N888-E891 WeakPolarHBondContact CB-OE2 3.47Å; N888-E891 PolarHBondContact ND2-OE1 3.02Å; A889-E891 PolarHBondContact N-OE2 2.67Å; E891-T893 VanDerWaalsContact C-N 3.28Å; E891-T893 PolarHBondContact O-N 3.47Å; E891-M894 PolarHBondContact O-N 3.26Å; E891-V895 WeakPolarHBondContact O-CB 3.49Å; E891-V895 VanDerWaalsContact O-CG2 3.29Å; E891-V895 WeakPolarHBondContact O-CG2 3.24Å; E891-V895 PolarHBondContact O-N 2.76Å; E891-L917 HydrophobicContact CG-CD1 4.34Å; E891-L917 HydrophobicContact CG-CD2 3.88Å
892L93Very high91.7Very high15 Ų1558.5 Ų58.58%0.07931%0.309CS..Hα-helixtrans-58.9-40.8168.9171.964.7000111.7F880 F884 N888 M894 R896F880-L892 HydrophobicContact CB-CD1 4Å; F880-L892 HydrophobicContact CD1-CD1 3.48Å; F880-L892 VanDerWaalsContact CD1-CD1 3.48Å; F880-L892 HydrophobicContact CD2-CD1 3.5Å; F880-L892 VanDerWaalsContact CD2-CD1 3.5Å; F880-L892 HydrophobicContact CE1-CD1 3.73Å; F880-L892 HydrophobicContact CE2-CD1 3.75Å; F880-L892 HydrophobicContact CG-CD1 3.36Å; F880-L892 HydrophobicContact CZ-CD1 3.87Å; F884-L892 HydrophobicContact CD1-CD1 4.3Å; F884-L892 HydrophobicContact CE1-CB 3.96Å; F884-L892 HydrophobicContact CE1-CD1 4.03Å; N888-L892 WeakPolarHBondContact O-CB 3.04Å; N888-L892 PolarHBondContact O-N 3.28Å; L892-M894 VanDerWaalsContact C-N 3.35Å; L892-R896 VanDerWaalsContact O-CB 3.3Å; L892-R896 WeakPolarHBondContact O-CB 3.25Å; L892-R896 PolarHBondContact O-N 2.91Å
893T93Very high91.9Very high93 Ų9354.1 Ų54.157%0.57129%0.292SS*.Hα-helixtrans-66.4-41.7179.5-58.70000110.4A889 E890 E891 R896 S897A889-T893 PolarHBondContact O-N 3.07Å; A889-T893 PolarHBondContact O-OG1 3.16Å; E890-T893 WeakPolarHBondContact O-CB 3.41Å; E890-T893 PolarHBondContact O-N 3.18Å; E890-T893 VanDerWaalsContact O-N 3.09Å; E891-T893 VanDerWaalsContact C-N 3.28Å; E891-T893 PolarHBondContact O-N 3.47Å; T893-R896 PolarHBondContact O-N 3.4Å; T893-S897 PolarHBondContact O-N 3.2Å; T893-S897 VanDerWaalsContact O-N 3.17Å
894M91.7Very high92.2Very high3 Ų353.3 Ų53.32%0.01530%0.296CS..Hα-helixtrans-65.8-44.6174.8-169.4-169.7-176.200113.2F757 L855 E890 E891 L892 R896 S897 M898 I912 M915 L917 F918F757-M894 HydrophobicContact CE1-CE 3.73Å; F757-M894 HydrophobicContact CZ-CE 4.32Å; L855-M894 HydrophobicContact CD2-CE 4.48Å; L855-M894 HydrophobicContact CD2-CG 4.33Å; L855-M894 HydrophobicContact CD2-SD 3.6Å; E890-M894 PolarHBondContact O-N 3.46Å; E891-M894 PolarHBondContact O-N 3.26Å; L892-M894 VanDerWaalsContact C-N 3.35Å; M894-R896 VanDerWaalsContact C-N 3.31Å; M894-R896 PolarHBondContact O-N 2.94Å; M894-S897 PolarHBondContact O-N 3.08Å; M894-S897 PolarHBondContact O-OG 3.17Å; M894-M898 HydrophobicContact CE-CE 4.13Å; M894-M898 HydrophobicContact CG-CE 3.96Å; M894-M898 WeakPolarHBondContact O-CG 3.31Å; M894-M898 PolarHBondContact O-N 3.47Å; M894-M898 HydrophobicContact SD-CE 4.28Å; M894-I912 HydrophobicContact CE-CB 4.04Å; M894-I912 HydrophobicContact CE-CG1 3.9Å; M894-I912 HydrophobicContact CE-CG2 3.56Å; M894-M915 HydrophobicContact CB-CE 4.28Å; M894-M915 HydrophobicContact CB-SD 4.46Å; M894-M915 HydrophobicContact CE-SD 3.74Å; M894-M915 HydrophobicContact CG-CE 4.16Å; M894-M915 HydrophobicContact CG-SD 3.7Å; M894-M915 HydrophobicContact SD-CE 4.49Å; M894-M915 HydrophobicContact SD-SD 3.87Å; M894-L917 HydrophobicContact SD-CD2 4.26Å; M894-F918 HydrophobicContact CE-CE2 3.75Å; M894-F918 HydrophobicContact CE-CZ 3.89Å; M894-F918 HydrophobicContact SD-CE2 4.29Å; M894-F918 HydrophobicContact SD-CZ 4.21Å
895V95.8Very high92.4Very high0 Ų059.4 Ų59.40%033%0.325CS..Hα-helixtrans-63.3-39.7174.9173.10000110.4G852 L855 F856 F880 E891 S897 M898 L899G852-V895 WeakPolarHBondContact O-CG1 3.44Å; L855-V895 HydrophobicContact CB-CG2 4.03Å; L855-V895 HydrophobicContact CD2-CG2 3.75Å; L855-V895 HydrophobicContact CG-CG2 3.85Å; F856-V895 HydrophobicContact CB-CG1 4.32Å; F856-V895 HydrophobicContact CB-CG2 4.4Å; F880-V895 HydrophobicContact CE1-CB 4.38Å; F880-V895 HydrophobicContact CE1-CG1 3.64Å; F880-V895 HydrophobicContact CZ-CG1 3.97Å; E891-V895 WeakPolarHBondContact O-CB 3.49Å; E891-V895 VanDerWaalsContact O-CG2 3.29Å; E891-V895 WeakPolarHBondContact O-CG2 3.24Å; E891-V895 PolarHBondContact O-N 2.76Å; V895-S897 PolarHBondContact O-N 3.26Å; V895-M898 PolarHBondContact O-N 2.89Å; V895-L899 HydrophobicContact CG1-CD1 3.58Å; V895-L899 HydrophobicContact CG1-CG 4.02Å; V895-L899 WeakPolarHBondContact O-CB 3.3Å; V895-L899 VanDerWaalsContact O-CG 3.26Å; V895-L899 WeakPolarHBondContact O-CG 3.38Å; V895-L899 PolarHBondContact O-N 2.93Å
896R95.5Very high92.7Very high113 Ų11357.5 Ų57.543%0.42631%0.311SS..Hα-helixtrans-62.9-37.7177.6-179.4175-73.8125.5-1.2112.9L892 T893 M894 S900L892-R896 VanDerWaalsContact O-CB 3.3Å; L892-R896 WeakPolarHBondContact O-CB 3.25Å; L892-R896 PolarHBondContact O-N 2.91Å; T893-R896 PolarHBondContact O-N 3.4Å; M894-R896 VanDerWaalsContact C-N 3.31Å; M894-R896 PolarHBondContact O-N 2.94Å; R896-S900 PolarHBondContact O-N 3.34Å
897S95.4Very high93.1Very high46 Ų4650.4 Ų50.432%0.32229%0.288SS..Hα-helixtrans-72.8-42.7175.864.20000112.1T893 M894 V895 L899 S900T893-S897 PolarHBondContact O-N 3.2Å; T893-S897 VanDerWaalsContact O-N 3.17Å; M894-S897 PolarHBondContact O-N 3.08Å; M894-S897 PolarHBondContact O-OG 3.17Å; V895-S897 PolarHBondContact O-N 3.26Å; S897-L899 PolarHBondContact O-N 2.73Å; S897-S900 PolarHBondContact O-N 2.72Å
898M97Very high93.6Very high0 Ų047.8 Ų47.80%027%0.272CS..Hα-helixtrans-59.3-33.4174.1-73.5-163.1-81.800113.1F757 I848 Y849 L851 L855 M894 V895 R906 P907 I912F757-M898 HydrophobicContact CE2-CE 4.41Å; F757-M898 HydrophobicContact CZ-CE 3.8Å; F757-M898 HydrophobicContact CZ-SD 4.09Å; I848-M898 HydrophobicContact CG2-CB 4.16Å; I848-M898 HydrophobicContact CG2-CG 3.85Å; I848-M898 HydrophobicContact CG2-SD 4.46Å; Y849-M898 WeakPolarHBondContact CA-O 3.5Å; L851-M898 HydrophobicContact CB-SD 3.75Å; L855-M898 HydrophobicContact CB-CE 4.15Å; L855-M898 HydrophobicContact CD2-CE 3.56Å; M894-M898 HydrophobicContact CE-CE 4.13Å; M894-M898 HydrophobicContact CG-CE 3.96Å; M894-M898 WeakPolarHBondContact O-CG 3.31Å; M894-M898 PolarHBondContact O-N 3.47Å; M894-M898 HydrophobicContact SD-CE 4.28Å; V895-M898 PolarHBondContact O-N 2.89Å; M898-R906 WeakPolarHBondContact O-CD 3.5Å; M898-R906 WeakPolarHBondContact O-CG 3.27Å; M898-P907 HydrophobicContact CG-CG 4.17Å; M898-I912 HydrophobicContact CG-CD1 3.93Å; M898-I912 HydrophobicContact SD-CD1 3.59Å; M898-I912 VanDerWaalsContact SD-CD1 3.59Å; M898-I912 HydrophobicContact SD-CG1 4.3Å
899L97.1Very high93.9Very high1 Ų146.6 Ų46.61%0.00527%0.266CS..THydrogen-bonded Turntrans-94.217-178.8-60.3-174000115.1Y849 L853 V875 L878 V895 S897Y849-L899 HydrophobicContact CD1-CD2 4.11Å; Y849-L899 HydrophobicContact CD2-CB 4.47Å; Y849-L899 HydrophobicContact CD2-CD2 3.86Å; Y849-L899 HydrophobicContact CE1-CD2 4.11Å; Y849-L899 HydrophobicContact CE2-CB 4.14Å; Y849-L899 HydrophobicContact CE2-CD2 3.86Å; Y849-L899 HydrophobicContact CG-CD2 3.98Å; Y849-L899 WeakPolarHBondContact O-CD2 3.21Å; L853-L899 HydrophobicContact CD2-CD1 4Å; L853-L899 HydrophobicContact CD2-CD2 4.43Å; L853-L899 HydrophobicContact CG-CD1 4.28Å; L853-L899 HydrophobicContact CG-CD2 3.85Å; V875-L899 HydrophobicContact CG1-CD1 3.67Å; L878-L899 HydrophobicContact CD2-CB 3.7Å; V895-L899 HydrophobicContact CG1-CD1 3.58Å; V895-L899 HydrophobicContact CG1-CG 4.02Å; V895-L899 WeakPolarHBondContact O-CB 3.3Å; V895-L899 VanDerWaalsContact O-CG 3.26Å; V895-L899 WeakPolarHBondContact O-CG 3.38Å; V895-L899 PolarHBondContact O-N 2.93Å; S897-L899 PolarHBondContact O-N 2.73Å
900S96.4Very high94.1Very high9 Ų946 Ų466%0.06326%0.26CS..  trans-57.5135.6173.8179.30000111.1R896 S897 S902 E905 R906R896-S900 PolarHBondContact O-N 3.34Å; S897-S900 PolarHBondContact O-N 2.72Å; S900-S902 PolarHBondContact O-N 2.87Å; S900-S902 PolarHBondContact OG-N 2.79Å; S900-E905 PolarHBondContact OG-OE2 3.46Å; S900-R906 PolarHBondContact O-NE 2.69Å; S900-R906 PolarHBondContact O-NH2 3.14Å
901P91.7Very high94.3Very high91 Ų9144.5 Ų44.559%0.59126%0.256SS*.SBendtrans-55-35.2170.3-25.134.9000112.7P903 R906P901-P903 WeakPolarHBondContact O-CD 3.34Å; P901-R906 PolarHBondContact O-NH2 3.46Å
902S92.6Very high94.3Very high39 Ų3944 Ų4427%0.27325%0.254SS..SBendtrans-80.6123.3176.7-174.10000110.9S900 S904 E905S900-S902 PolarHBondContact O-N 2.87Å; S900-S902 PolarHBondContact OG-N 2.79Å; S902-S904 PolarHBondContact O-N 3.18Å; S902-S904 PolarHBondContact OG-OG 2.92Å; S902-E905 PolarHBondContact O-N 2.77Å
903P93.9Very high94.2Very high40 Ų4045.1 Ų45.126%0.2626%0.261SS..G310 helixtrans-60-30.9177.2-24.935.1000114E835 K845 P901 R906E835-P903 HydrophobicContact CG-CG 4.3Å; K845-P903 HydrophobicContact CB-CB 3.9Å; K845-P903 WeakPolarHBondContact CD-O 3.19Å; K845-P903 HydrophobicContact CG-CB 4.35Å; K845-P903 VanDerWaalsContact CG-O 3.3Å; K845-P903 WeakPolarHBondContact CG-O 3.46Å; P901-P903 WeakPolarHBondContact O-CD 3.34Å; P903-R906 PolarHBondContact O-N 2.84Å
904S93Very high93.9Very high102 Ų10244 Ų4471%0.71326%0.261SS*.G310 helixtrans-76.8-16.6-177.955.20000114.5S902S902-S904 PolarHBondContact O-N 3.18Å; S902-S904 PolarHBondContact OG-OG 2.92Å
905E94.6Very high93.5Very high132 Ų13247.1 Ų47.162%0.61728%0.277SS*.G310 helixtrans-87.9-13.3176.2-68.1177-174.200112.9S900 S902S900-E905 PolarHBondContact OG-OE2 3.46Å; S902-E905 PolarHBondContact O-N 2.77Å
906R96.4Very high92.8Very high3 Ų350.8 Ų50.81%0.01130%0.302CS..SBendtrans-75.3138.8177.9-53.2175.8-163149.210108.8E835 K845 I848 M898 S900 P901 P903E835-R906 IonicContact OE1-CZ 3.75Å; E835-R906 IonicContact OE1-NH1 2.72Å; E835-R906 PolarHBondContact OE1-NH1 2.04Å; E835-R906 IonicContact OE1-NH2 2.91Å; E835-R906 PolarHBondContact OE1-NH2 3.49Å; E835-R906 IonicContact OE2-CZ 2.83Å; E835-R906 IonicContact OE2-NH1 3.04Å; E835-R906 IonicContact OE2-NH2 2.76Å; E835-R906 PolarHBondContact OE2-NH2 2.79Å; K845-R906 HydrophobicContact CD-CB 4.34Å; K845-R906 PolarHBondContact NZ-O 3.14Å; K845-R906 PolarHBondContact O-NH1 2.84Å; I848-R906 HydrophobicContact CB-CB 4.41Å; I848-R906 HydrophobicContact CG2-CB 3.92Å; M898-R906 WeakPolarHBondContact O-CD 3.5Å; M898-R906 WeakPolarHBondContact O-CG 3.27Å; S900-R906 PolarHBondContact O-NE 2.69Å; S900-R906 PolarHBondContact O-NH2 3.14Å; P901-R906 PolarHBondContact O-NH2 3.46Å; P903-R906 PolarHBondContact O-N 2.84Å
907P96.1Very high92Very high28 Ų2846.8 Ų46.818%0.18229%0.289CS..PPolyproline II helixtrans-63169.717827.7-36.2000112.6K845 I848 M898 D911 I912K845-P907 PolarHBondContact NZ-O 3.4Å; K845-P907 VanDerWaalsContact NZ-O 3.08Å; I848-P907 HydrophobicContact CG2-CG 4.31Å; M898-P907 HydrophobicContact CG-CG 4.17Å; P907-D911 HydrophobicContact CB-CB 4.12Å; P907-I912 HydrophobicContact CB-CG1 4.37Å; P907-I912 HydrophobicContact CG-CD1 3.98Å; P907-I912 HydrophobicContact CG-CG1 3.94Å
908E95.6Very high91.4Very high72 Ų7245 Ų4534%0.33628%0.276SS..PPolyproline II helixtrans-80.6161.9163.6-56.9-5516000111.9H844 K845 A910 D911 I912H844-E908 IonicContact CD2-OE2 3.16Å; H844-E908 IonicContact CE1-OE2 3.13Å; H844-E908 IonicContact NE2-OE1 2.7Å; H844-E908 IonicContact NE2-OE2 2.7Å; H844-E908 PolarHBondContact NE2-OE2 2.82Å; K845-E908 WeakPolarHBondContact CE-OE1 3.12Å; K845-E908 WeakPolarHBondContact CE-OE2 3.41Å; K845-E908 IonicContact NZ-OE1 2.69Å; K845-E908 PolarHBondContact NZ-OE1 2.93Å; K845-E908 IonicContact NZ-OE2 2.83Å; K845-E908 PolarHBondContact NZ-OE2 3.33Å; E908-A910 VanDerWaalsContact C-N 3.28Å; E908-A910 PolarHBondContact O-N 2.85Å; E908-D911 WeakPolarHBondContact CB-OD2 3.41Å; E908-D911 PolarHBondContact N-OD2 3.38Å; E908-D911 PolarHBondContact O-N 3.24Å; E908-I912 PolarHBondContact O-N 2.73Å; E908-I912 VanDerWaalsContact O-N 3.07Å
909A94.6Very high90.2Very high1 Ų151.3 Ų51.31%0.00831%0.305CS..Hα-helixtrans-63.8-34174.100000112.1V764 D765 I848 I912 T913V764-A909 HydrophobicContact CG1-CB 4.23Å; D765-A909 HydrophobicContact CB-CB 3.65Å; I848-A909 HydrophobicContact CD1-CB 4.08Å; A909-I912 WeakPolarHBondContact O-CB 3.26Å; A909-I912 PolarHBondContact O-N 2.95Å; A909-T913 WeakPolarHBondContact O-CG2 3.31Å; A909-T913 PolarHBondContact O-N 3.19Å; A909-T913 PolarHBondContact O-OG1 2.72Å
910A92.1Very high88.5Confident46 Ų4659.7 Ų59.738%0.3834%0.344SS..Hα-helixtrans-59.4-46.4169.700000112.4D765 E908 I912 T913 A914D765-A910 WeakPolarHBondContact OD1-CA 3.33Å; D765-A910 WeakPolarHBondContact OD1-CB 3.32Å; D765-A910 PolarHBondContact OD1-N 3.24Å; E908-A910 VanDerWaalsContact C-N 3.28Å; E908-A910 PolarHBondContact O-N 2.85Å; A910-I912 VanDerWaalsContact C-N 3.32Å; A910-I912 PolarHBondContact O-N 3.04Å; A910-T913 PolarHBondContact O-N 3.38Å; A910-T913 PolarHBondContact O-OG1 3.49Å; A910-T913 VanDerWaalsContact O-OG1 3.1Å; A910-A914 WeakPolarHBondContact O-CB 3.42Å; A910-A914 PolarHBondContact O-N 3.05Å; A910-A914 VanDerWaalsContact O-N 3.07Å
911D93Very high87.1Confident90 Ų9060.4 Ų60.448%0.48135%0.348SS..Hα-helixtrans-61.9-43.2178.3-56.4-42.3000110.9P907 E908 A914 M915P907-D911 HydrophobicContact CB-CB 4.12Å; E908-D911 WeakPolarHBondContact CB-OD2 3.41Å; E908-D911 PolarHBondContact N-OD2 3.38Å; E908-D911 PolarHBondContact O-N 3.24Å; D911-A914 PolarHBondContact O-N 3.44Å; D911-M915 WeakPolarHBondContact O-CG 3.18Å; D911-M915 PolarHBondContact O-N 3.11Å
912I92.1Very high85.2Confident1 Ų159.9 Ų59.91%0.00534%0.337CS..Hα-helixtrans-56.4-50.9175.9-81.2163.3000111.4F757 A761 I848 L851 M894 M898 P907 E908 A909 A910 A914 M915 F918F757-I912 HydrophobicContact CE1-CG2 3.96Å; F757-I912 HydrophobicContact CZ-CG2 4.34Å; A761-I912 HydrophobicContact CB-CG2 3.75Å; I848-I912 HydrophobicContact CD1-CD1 4.18Å; I848-I912 HydrophobicContact CG2-CD1 3.99Å; L851-I912 HydrophobicContact CD1-CD1 4.44Å; M894-I912 HydrophobicContact CE-CB 4.04Å; M894-I912 HydrophobicContact CE-CG1 3.9Å; M894-I912 HydrophobicContact CE-CG2 3.56Å; M898-I912 HydrophobicContact CG-CD1 3.93Å; M898-I912 HydrophobicContact SD-CD1 3.59Å; M898-I912 VanDerWaalsContact SD-CD1 3.59Å; M898-I912 HydrophobicContact SD-CG1 4.3Å; P907-I912 HydrophobicContact CB-CG1 4.37Å; P907-I912 HydrophobicContact CG-CD1 3.98Å; P907-I912 HydrophobicContact CG-CG1 3.94Å; E908-I912 PolarHBondContact O-N 2.73Å; E908-I912 VanDerWaalsContact O-N 3.07Å; A909-I912 WeakPolarHBondContact O-CB 3.26Å; A909-I912 PolarHBondContact O-N 2.95Å; A910-I912 VanDerWaalsContact C-N 3.32Å; A910-I912 PolarHBondContact O-N 3.04Å; I912-A914 VanDerWaalsContact C-N 3.27Å; I912-A914 PolarHBondContact O-N 2.93Å; I912-M915 PolarHBondContact O-N 3Å; I912-F918 WeakPolarHBondContact O-CD2 3.06Å; I912-F918 VanDerWaalsContact O-CE2 3.24Å; I912-F918 WeakPolarHBondContact O-CE2 3.03Å
913T89.9Confident82.9Confident37 Ų3765.2 Ų65.223%0.22736%0.362CS..Hα-helixtrans-72-20.9-177.656.60000113L758 A761 E762 A909 A910L758-T913 HydrophobicContact CD1-CG2 4.14Å; A761-T913 HydrophobicContact CB-CG2 3.74Å; E762-T913 HydrophobicContact CG-CG2 4.13Å; A909-T913 WeakPolarHBondContact O-CG2 3.31Å; A909-T913 PolarHBondContact O-N 3.19Å; A909-T913 PolarHBondContact O-OG1 2.72Å; A910-T913 PolarHBondContact O-N 3.38Å; A910-T913 PolarHBondContact O-OG1 3.49Å; A910-T913 VanDerWaalsContact O-OG1 3.1Å
914A86.8Confident80.3Confident69 Ų6968.1 Ų68.157%0.5738%0.381SS*.THydrogen-bonded Turntrans-83.4-8.9177.500000114.9A910 D911 I912A910-A914 WeakPolarHBondContact O-CB 3.42Å; A910-A914 PolarHBondContact O-N 3.05Å; A910-A914 VanDerWaalsContact O-N 3.07Å; D911-A914 PolarHBondContact O-N 3.44Å; I912-A914 VanDerWaalsContact C-N 3.27Å; I912-A914 PolarHBondContact O-N 2.93Å
915M85Confident77.6Confident70 Ų7068 Ų6835%0.34538%0.378SS..SBendtrans-61.7145.9-175.9-66.8-172.266.600113.3M894 D911 I912 L917 F918M894-M915 HydrophobicContact CB-CE 4.28Å; M894-M915 HydrophobicContact CB-SD 4.46Å; M894-M915 HydrophobicContact CE-SD 3.74Å; M894-M915 HydrophobicContact CG-CE 4.16Å; M894-M915 HydrophobicContact CG-SD 3.7Å; M894-M915 HydrophobicContact SD-CE 4.49Å; M894-M915 HydrophobicContact SD-SD 3.87Å; D911-M915 WeakPolarHBondContact O-CG 3.18Å; D911-M915 PolarHBondContact O-N 3.11Å; I912-M915 PolarHBondContact O-N 3Å; M915-L917 PolarHBondContact O-N 2.77Å; M915-L917 VanDerWaalsContact O-N 3.15Å; M915-F918 HydrophobicContact CB-CD2 4.07Å; M915-F918 HydrophobicContact CB-CE2 4.17Å; M915-F918 PolarHBondContact O-N 3Å; M915-F918 VanDerWaalsContact O-N 3.13Å
916S79.2Confident75.2Confident76 Ų7665 Ų6553%0.53136%0.362SS..G310 helixtrans-54.7-33.5179.847.60000113.9F918 Q919S916-F918 PolarHBondContact O-N 3.5Å; S916-Q919 WeakPolarHBondContact O-CB 3.27Å; S916-Q919 PolarHBondContact O-N 2.86Å
917L80.1Confident72.3Confident30 Ų3070.4 Ų70.416%0.15739%0.39CS..G310 helixtrans-50.3-30.5176.8-174.466.2000113.7L754 E891 M894 M915L754-L917 HydrophobicContact CD1-CD1 3.94Å; L754-L917 HydrophobicContact CD1-CD2 4.36Å; L754-L917 HydrophobicContact CD1-CG 3.97Å; L754-L917 HydrophobicContact CD2-CD2 3.88Å; L754-L917 HydrophobicContact CD2-CG 4.34Å; E891-L917 HydrophobicContact CG-CD1 4.34Å; E891-L917 HydrophobicContact CG-CD2 3.88Å; M894-L917 HydrophobicContact SD-CD2 4.26Å; M915-L917 PolarHBondContact O-N 2.77Å; M915-L917 VanDerWaalsContact O-N 3.15Å
918F82.8Confident69.4Low9 Ų973 Ų734%0.03941%0.414CS..G310 helixtrans-95-8-178.2-56.7-70000113.9L754 F757 L758 M894 I912 M915 S916 L921L754-F918 HydrophobicContact CB-CE1 4.23Å; L754-F918 HydrophobicContact CD2-CE1 4.05Å; F757-F918 AromaticContact CD1-CE1 3.98Å; F757-F918 HydrophobicContact CD1-CE1 3.98Å; F757-F918 AromaticContact CD1-CZ 3.72Å; F757-F918 HydrophobicContact CD1-CZ 3.72Å; F757-F918 AromaticContact CE1-CZ 4Å; F757-F918 HydrophobicContact CE1-CZ 4Å; L758-F918 HydrophobicContact CB-CD1 3.97Å; L758-F918 HydrophobicContact CB-CE1 4.27Å; L758-F918 HydrophobicContact CD1-CB 4.19Å; L758-F918 HydrophobicContact CD1-CD1 4.06Å; L758-F918 HydrophobicContact CD1-CD2 4.44Å; L758-F918 HydrophobicContact CD1-CG 3.95Å; L758-F918 HydrophobicContact CD2-CB 4.2Å; L758-F918 HydrophobicContact CD2-CD1 4.33Å; L758-F918 HydrophobicContact CG-CD1 4.34Å; M894-F918 HydrophobicContact CE-CE2 3.75Å; M894-F918 HydrophobicContact CE-CZ 3.89Å; M894-F918 HydrophobicContact SD-CE2 4.29Å; M894-F918 HydrophobicContact SD-CZ 4.21Å; I912-F918 WeakPolarHBondContact O-CD2 3.06Å; I912-F918 VanDerWaalsContact O-CE2 3.24Å; I912-F918 WeakPolarHBondContact O-CE2 3.03Å; M915-F918 HydrophobicContact CB-CD2 4.07Å; M915-F918 HydrophobicContact CB-CE2 4.17Å; M915-F918 PolarHBondContact O-N 3Å; M915-F918 VanDerWaalsContact O-N 3.13Å; S916-F918 PolarHBondContact O-N 3.5Å; F918-L921 HydrophobicContact CD1-CD1 3.91Å; F918-L921 PolarHBondContact O-N 3.38Å
919Q70.6Confident66.9Low131 Ų13174.6 Ų74.661%0.61243%0.428SS*.THydrogen-bonded Turntrans-74.2-31.1-173.6-62.7-179.811.300112.7S916 L921S916-Q919 WeakPolarHBondContact O-CB 3.27Å; S916-Q919 PolarHBondContact O-N 2.86Å; Q919-L921 VanDerWaalsContact C-N 3.3Å; Q919-L921 PolarHBondContact O-N 2.82Å
920E62.6Low64Low177 Ų17781.1 Ų81.183%0.82745%0.453SS*.G310 helixtrans-76.3-16.1178.2-58.7-160.8161.500113.3E922E920-E922 VanDerWaalsContact C-N 3.31Å; E920-E922 PolarHBondContact O-N 3.08Å
921L65.9Low61Low25 Ų2586.1 Ų86.113%0.13147%0.468CS..G310 helixtrans-75.3-12.7-178.9-58.6173.4000114N751 L754 F918 Q919 L923N751-L921 HydrophobicContact CB-CD2 3.77Å; L754-L921 HydrophobicContact CB-CD1 3.75Å; F918-L921 HydrophobicContact CD1-CD1 3.91Å; F918-L921 PolarHBondContact O-N 3.38Å; Q919-L921 VanDerWaalsContact C-N 3.3Å; Q919-L921 PolarHBondContact O-N 2.82Å; L921-L923 PolarHBondContact O-N 2.94Å; L921-L923 VanDerWaalsContact O-N 3.12Å
922E51.8Low58.3Low80 Ų8093 Ų9337%0.37449%0.487SS..G310 helixtrans-66.7-12.9-176.1-78.9-125.4116.700114.3E920 R926 R930E920-E922 VanDerWaalsContact C-N 3.31Å; E920-E922 PolarHBondContact O-N 3.08Å; E922-R926 VanDerWaalsContact OE1-CD 3.23Å; E922-R926 WeakPolarHBondContact OE1-CD 3.47Å; E922-R926 IonicContact OE1-CZ 3.75Å; E922-R926 IonicContact OE1-NE 2.85Å; E922-R926 IonicContact OE1-NH1 2.67Å; E922-R926 PolarHBondContact OE1-NH1 3.29Å; E922-R930 IonicContact OE1-CZ 3.45Å; E922-R930 IonicContact OE1-NH1 2.76Å; E922-R930 PolarHBondContact OE1-NH1 3.27Å; E922-R930 IonicContact OE1-NH2 3.8Å; E922-R930 PolarHBondContact OE1-NH2 2.81Å; E922-R930 IonicContact OE2-NH1 3.44Å; E922-R930 PolarHBondContact OE2-NH1 3.31Å
923L44.8Very low55.5Low150 Ų15097.6 Ų97.679%0.78552%0.52SS*.SBendtrans-121.8106.1174.3-68.982.9000109.7L921L921-L923 PolarHBondContact O-N 2.94Å; L921-L923 VanDerWaalsContact O-N 3.12Å
924P38.9Very low52.9Low102 Ų102106.4 Ų106.466%0.66255%0.549SS*.SBendcis-132.3-9.242.431.3-12.4000117R926P924-R926 PolarHBondContact O-N 3.46Å
925C37.8Very low50.3Low98 Ų98108.9 Ų108.966%0.66256%0.557SS**THydrogen-bonded Turntrans-75.6-28-163.3-67.40000115.2L927C925-L927 PolarHBondContact O-N 3.13Å; C925-L927 VanDerWaalsContact O-N 3.09Å
926R42.6Very low47.7Very low70 Ų70117 Ų11726%0.26459%0.585SS.*THydrogen-bonded Turntrans-66.7-13-173.9-79.5-175163.9-168.6-7.6115E762 E922 P924 R930E762-R926 IonicContact OE1-CZ 3.41Å; E762-R926 IonicContact OE1-NH2 2.81Å; E762-R926 PolarHBondContact OE1-NH2 2.73Å; E762-R926 IonicContact OE2-NH2 3.32Å; E762-R926 PolarHBondContact OE2-NH2 2.8Å; E922-R926 VanDerWaalsContact OE1-CD 3.23Å; E922-R926 WeakPolarHBondContact OE1-CD 3.47Å; E922-R926 IonicContact OE1-CZ 3.75Å; E922-R926 IonicContact OE1-NE 2.85Å; E922-R926 IonicContact OE1-NH1 2.67Å; E922-R926 PolarHBondContact OE1-NH1 3.29Å; P924-R926 PolarHBondContact O-N 3.46Å; R926-R930 WeakPolarHBondContact O-CB 3.37Å; R926-R930 PolarHBondContact O-N 3.03Å; R926-R930 VanDerWaalsContact O-N 3.11Å
927L36.3Very low45.3Very low117 Ų117119.1 Ų119.161%0.61360%0.6SS**Hα-helixtrans-69-36.5-175.6-83.3168.7000114.5C925 V929 Q931C925-L927 PolarHBondContact O-N 3.13Å; C925-L927 VanDerWaalsContact O-N 3.09Å; L927-V929 VanDerWaalsContact C-N 3.32Å; L927-V929 PolarHBondContact O-N 3.48Å; L927-Q931 WeakPolarHBondContact O-CG 3.18Å; L927-Q931 PolarHBondContact O-N 3.14Å
928A35.4Very low42.9Very low83 Ų83123.2 Ų123.269%0.68663%0.632SS**Hα-helixtrans-66.3-34.9-178.900000112.6
929V42.1Very low40.4Very low105 Ų105128.6 Ų128.664%0.63667%0.67SS**Hα-helixtrans-87.3-46.5-177.2-175.20000111.5L927 Q931 R932L927-V929 VanDerWaalsContact C-N 3.32Å; L927-V929 PolarHBondContact O-N 3.48Å; V929-Q931 VanDerWaalsContact C-N 3.26Å; V929-Q931 PolarHBondContact O-N 3.49Å; V929-R932 PolarHBondContact O-N 2.87Å
930R34.2Very low38.4Very low137 Ų137127.8 Ų127.852%0.51768%0.679SS.*Hα-helixtrans-62.5-27.6-178.8-87.1-178.6170.9152.81.6113.4E922 R926 R932 S933E922-R930 IonicContact OE1-CZ 3.45Å; E922-R930 IonicContact OE1-NH1 2.76Å; E922-R930 PolarHBondContact OE1-NH1 3.27Å; E922-R930 IonicContact OE1-NH2 3.8Å; E922-R930 PolarHBondContact OE1-NH2 2.81Å; E922-R930 IonicContact OE2-NH1 3.44Å; E922-R930 PolarHBondContact OE2-NH1 3.31Å; R926-R930 WeakPolarHBondContact O-CB 3.37Å; R926-R930 PolarHBondContact O-N 3.03Å; R926-R930 VanDerWaalsContact O-N 3.11Å; R930-R932 VanDerWaalsContact C-N 3.34Å; R930-R932 PolarHBondContact O-N 3.12Å; R930-S933 PolarHBondContact O-N 3.32Å
931Q29.9Very low37.1Very low151 Ų151128.3 Ų128.371%0.70668%0.684SS**THydrogen-bonded Turntrans-72.6-16.8-178.4-78.4-163.5-4.900115.4L927 V929L927-Q931 WeakPolarHBondContact O-CG 3.18Å; L927-Q931 PolarHBondContact O-N 3.14Å; V929-Q931 VanDerWaalsContact C-N 3.26Å; V929-Q931 PolarHBondContact O-N 3.49Å
932R35.5Very low35.3Very low235 Ų235130.6 Ų130.689%0.88771%0.714SS**THydrogen-bonded Turntrans-88.4-6.1172.5-73.2-173.7174.9174.11114.2V929 R930V929-R932 PolarHBondContact O-N 2.87Å; R930-R932 VanDerWaalsContact C-N 3.34Å; R930-R932 PolarHBondContact O-N 3.12Å
933S33.5Very low34.3Very low98 Ų98138 Ų13869%0.68574%0.738SS**SBendtrans-108.912.1-176.2-52.30000114.1R930R930-S933 PolarHBondContact O-N 3.32Å
934R34.6Very low33.7Very low221 Ų221137 Ų13783%0.83474%0.741SS**  trans-139.264.2-178.9-82.2-168.6168.1177.9-2114.3
935T33.4Very low33.3Very low121 Ų121136.9 Ų136.974%0.74275%0.748SS**  trans-138.571.7158.3500000112.2
936Y30.2Very low32.9Very low240 Ų240144 Ų14494%0.94176%0.761SS**  trans-157.585.6148.9-101.3-67.4000108.9
937S29.3Very low32.4Very low121 Ų121150 Ų15085%0.84679%0.792SS**  trans-77129.8178.8-60.60000110.9S939S937-S939 PolarHBondContact O-N 3.08Å
938S28.8Very low32Very low117 Ų117149.3 Ų149.382%0.81880%0.803SS**  trans-68.3116.2169.340.80000110.7S940S938-S940 PolarHBondContact O-N 3.19Å
939S29.3Very low31.8Very low121 Ų121150.3 Ų150.385%0.84681%0.805SS**  trans-82.294.4173.456.50000110.4S937S937-S939 PolarHBondContact O-N 3.08Å
940S30.2Very low31.4Very low114 Ų114150.8 Ų150.880%0.79781%0.813SS**  trans-72.2156170.558.90000111.7S938 G942S938-S940 PolarHBondContact O-N 3.19Å; S940-G942 PolarHBondContact O-N 3.2Å
941M33.8Very low31.3Very low189 Ų189153.3 Ų153.393%0.93185%0.852SS**  trans-70.3115.6-172.4-77.8-116.117200113.3
942G28.1Very low31.4Very low73 Ų73153.5 Ų153.575%0.75386%0.859SS**  trans-115.9102.6166.300000111.9S940S940-G942 PolarHBondContact O-N 3.2Å
943R32.5Very low31.1Very low234 Ų234149.2 Ų149.288%0.88386%0.858SS**PPolyproline II helixtrans-81.2130.7170.3-76.1-176.3174.6-177.9-1.2110.4A945R943-A945 PolarHBondContact O-N 3.4Å
944P32.2Very low31Very low131 Ų131152 Ų15285%0.85187%0.868SS**PPolyproline II helixtrans-79.1117.8170.830.8-32000110.9
945A28.8Very low30.8Very low98 Ų98147.9 Ų147.981%0.8187%0.869SS**PPolyproline II helixtrans-87.6134.2167.200000110R943R943-A945 PolarHBondContact O-N 3.4Å
946R31Very low30.6Very low247 Ų247149.6 Ų149.693%0.93288%0.877SS**PPolyproline II helixtrans-71.6136.7175.4-78178.3168.4162.2-4.6110.6
947Q31.1Very low30.7Very low197 Ų197143.6 Ų143.692%0.92187%0.873SS**PPolyproline II helixtrans-69138.3156.5-72.8-178.9-20.300109.8
948A29.3Very low30.7Very low102 Ų102145.2 Ų145.284%0.84388%0.875SS**  trans-136.1139.9160.400000107.5
949S30Very low30.9Very low105 Ų105147.4 Ų147.473%0.73488%0.879SS**  trans-96.6154.3-173.153.60000112.6
950S33.5Very low31Very low115 Ų115149.6 Ų149.680%0.80488%0.882SS**  trans64148.817063.60000116
951S32.2Very low31.1Very low190 Ų190152.8 Ų152.8100%1.32989%0.89SS**  cis-135.507.8-39.80000111.4

Retrieved 951 of 951 residues in 158.5 ms (Link to these results)

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