A0A077ZLQ5_TRITR Loading...

ATP-dependent Clp protease ATP-binding subunit ClpA

ATP-dependent specificity component of the ClpAP protease. It directs the protease to specific substrates. It has unfoldase activity. The primary function of the ClpA-ClpP complex appears to be the degradation of unfolded or abnormal proteins.

AlphaFold DB , UniProt , Accession A0A077ZLQ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 747 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
1M74.9Confident82.9Confident158 Ų15881.3 Ų81.378%0.77838%0.379SS*.  0-61.70-61.8-176.1-146.500111.4F3 A4 R5 A22M1-F3 PolarHBondContact O-N 3.02Å; M1-A4 PolarHBondContact O-N 3.26Å; M1-A4 VanDerWaalsContact O-N 3.11Å; M1-R5 PolarHBondContact O-N 3.23Å; M1-R5 VanDerWaalsContact O-N 3.15Å; M1-A22 HydrophobicContact CB-CB 4.23Å
2A81.5Confident83.2Confident11 Ų1179 Ų799%0.09137%0.368CS..Hα-helixtrans-53.9-48.8-179.600000113.6A4 R5 A6 M14 A22A2-A4 VanDerWaalsContact C-N 3.34Å; A2-A4 PolarHBondContact O-N 3.09Å; A2-R5 PolarHBondContact O-N 2.9Å; A2-A6 WeakPolarHBondContact O-CB 3.46Å; A2-A6 PolarHBondContact O-N 3.37Å; A2-M14 HydrophobicContact CB-CG 4.5Å; A2-M14 HydrophobicContact CB-SD 3.67Å; A2-A22 HydrophobicContact CB-CB 3.89Å
3F82.9Confident83.7Confident84 Ų8478.5 Ų78.537%0.36837%0.365SS..Hα-helixtrans-57.1-43175.6-90.2-74.6000113.6M1 R5 A6 R7 M14 P69M1-F3 PolarHBondContact O-N 3.02Å; F3-R5 VanDerWaalsContact C-N 3.34Å; F3-R5 PolarHBondContact O-N 3.41Å; F3-A6 PolarHBondContact O-N 3.12Å; F3-R7 WeakPolarHBondContact O-CB 3.45Å; F3-R7 WeakPolarHBondContact O-CG 2.98Å; F3-R7 PolarHBondContact O-N 2.79Å; F3-M14 HydrophobicContact CB-SD 4.28Å; F3-M14 HydrophobicContact CD1-CE 3.95Å; F3-M14 HydrophobicContact CD1-SD 3.99Å; F3-M14 HydrophobicContact CD2-CE 3.5Å; F3-M14 HydrophobicContact CD2-SD 3.74Å; F3-M14 HydrophobicContact CE1-CE 3.64Å; F3-M14 HydrophobicContact CE1-SD 4.28Å; F3-M14 HydrophobicContact CE2-CE 3.17Å; F3-M14 HydrophobicContact CE2-SD 4.07Å; F3-M14 HydrophobicContact CG-CE 3.89Å; F3-M14 HydrophobicContact CG-SD 3.71Å; F3-M14 HydrophobicContact CZ-CE 3.24Å; F3-M14 HydrophobicContact CZ-SD 4.32Å; F3-M14 PolarHBondContact N-SD 3.1Å; F3-P69 HydrophobicContact CZ-CB 4.43Å; F3-P69 HydrophobicContact CZ-CG 4.36Å
4A80.7Confident84.2Confident64 Ų6472.9 Ų72.953%0.52934%0.339SS..Hα-helixtrans-62.9-44.3-178.900000110.8M1 A2 R7 E8M1-A4 PolarHBondContact O-N 3.26Å; M1-A4 VanDerWaalsContact O-N 3.11Å; A2-A4 VanDerWaalsContact C-N 3.34Å; A2-A4 PolarHBondContact O-N 3.09Å; A4-R7 PolarHBondContact O-N 3.29Å; A4-E8 WeakPolarHBondContact O-CB 3.38Å; A4-E8 PolarHBondContact O-N 3.37Å
5R80.2Confident84.7Confident83 Ų8369.7 Ų69.731%0.31333%0.326SS..Hα-helixtrans-68.8-41.6179.2-166.4171.3-175.3165.93.3112.6M1 A2 F3 E8 H9 E48M1-R5 PolarHBondContact O-N 3.23Å; M1-R5 VanDerWaalsContact O-N 3.15Å; A2-R5 PolarHBondContact O-N 2.9Å; F3-R5 VanDerWaalsContact C-N 3.34Å; F3-R5 PolarHBondContact O-N 3.41Å; R5-E8 PolarHBondContact O-N 3.17Å; R5-H9 PolarHBondContact O-N 2.61Å; R5-H9 VanDerWaalsContact O-N 3.1Å; R5-H9 PolarHBondContact O-ND1 3.43Å; R5-E48 IonicContact CZ-OE1 3.07Å; R5-E48 IonicContact NH1-OE1 2.95Å; R5-E48 PolarHBondContact NH1-OE1 2.74Å; R5-E48 VanDerWaalsContact NH2-CD 3.34Å; R5-E48 IonicContact NH2-OE1 2.86Å; R5-E48 PolarHBondContact NH2-OE1 3.43Å
6A85.7Confident85.3Confident0 Ų065.5 Ų65.50%031%0.307CS..Hα-helixtrans-63.8-41.3176.600000111.6A2 F3 H9 R10 H11 M14 T67A2-A6 WeakPolarHBondContact O-CB 3.46Å; A2-A6 PolarHBondContact O-N 3.37Å; F3-A6 PolarHBondContact O-N 3.12Å; A6-H9 CarbonylContact O-C 3.57Å; A6-H9 PolarHBondContact O-N 2.91Å; A6-R10 PolarHBondContact O-N 2.98Å; A6-H11 HydrophobicContact CB-CB 4.36Å; A6-H11 PolarHBondContact O-N 3.32Å; A6-M14 HydrophobicContact CB-CG 4.5Å; A6-T67 HydrophobicContact CB-CG2 3.97Å
7R83.5Confident85.9Confident126 Ų12662.6 Ų62.648%0.47529%0.293SS..Hα-helixtrans-66.7-40.5174.5-76.9-177.6176.6170.32.1112.9F3 A4 H9 R10 D66F3-R7 WeakPolarHBondContact O-CB 3.45Å; F3-R7 WeakPolarHBondContact O-CG 2.98Å; F3-R7 PolarHBondContact O-N 2.79Å; A4-R7 PolarHBondContact O-N 3.29Å; R7-H9 VanDerWaalsContact C-N 3.27Å; R7-H9 PolarHBondContact O-N 3.12Å; R7-R10 PolarHBondContact O-N 3.44Å; R7-D66 IonicContact CZ-OD1 3.46Å; R7-D66 IonicContact CZ-OD2 2.78Å; R7-D66 IonicContact NE-OD1 3.91Å; R7-D66 PolarHBondContact NE-OD1 2.93Å; R7-D66 IonicContact NE-OD2 2.83Å; R7-D66 IonicContact NH2-OD1 3.83Å; R7-D66 PolarHBondContact NH2-OD1 2.78Å; R7-D66 IonicContact NH2-OD2 3.61Å; R7-D66 PolarHBondContact NH2-OD2 2.85Å
8E83.5Confident86.3Confident151 Ų15159.7 Ų59.771%0.70628%0.279SS*.Hα-helixtrans-59-39.9176.3-177179.1-162.300111.7A4 R5 R10A4-E8 WeakPolarHBondContact O-CB 3.38Å; A4-E8 PolarHBondContact O-N 3.37Å; R5-E8 PolarHBondContact O-N 3.17Å; E8-R10 VanDerWaalsContact C-N 3.29Å
9H84.5Confident86.7Confident90 Ų9057.3 Ų57.342%0.41727%0.269SS..THydrogen-bonded Turntrans-895.8176-62.367.3000112.9R5 A6 R7 H11R5-H9 PolarHBondContact O-N 2.61Å; R5-H9 VanDerWaalsContact O-N 3.1Å; R5-H9 PolarHBondContact O-ND1 3.43Å; A6-H9 CarbonylContact O-C 3.57Å; A6-H9 PolarHBondContact O-N 2.91Å; R7-H9 VanDerWaalsContact C-N 3.27Å; R7-H9 PolarHBondContact O-N 3.12Å; H9-H11 WeakPolarHBondContact CB-NE2 3.49Å; H9-H11 PolarHBondContact O-CD2 3.27Å; H9-H11 PolarHBondContact O-N 3.05Å
10R84.9Confident87.1Confident112 Ų11254.5 Ų54.542%0.42326%0.255SS..THydrogen-bonded Turntrans52.134.3-178.2-67.2-173160.1-165.7-8.3114.5A6 R7 E8 E12 V57 L58 A60A6-R10 PolarHBondContact O-N 2.98Å; R7-R10 PolarHBondContact O-N 3.44Å; E8-R10 VanDerWaalsContact C-N 3.29Å; R10-E12 PolarHBondContact O-N 3.25Å; R10-V57 HydrophobicContact CB-CG1 3.77Å; R10-V57 CarbonylContact O-C 3.58Å; R10-V57 WeakPolarHBondContact O-CA 3.43Å; R10-V57 WeakPolarHBondContact O-CG1 3.41Å; R10-L58 PolarHBondContact O-N 3.11Å; R10-A60 VanDerWaalsContact NH1-CA 3.33Å
11H89.3Confident87.4Confident15 Ų1552.1 Ų52.17%0.06925%0.245CC..BIsolated β-bridgetrans-66.8133.4175.3-63.9163.2000110.7A6 H9 F13 H18 I51 T55 T67A6-H11 HydrophobicContact CB-CB 4.36Å; A6-H11 PolarHBondContact O-N 3.32Å; H9-H11 WeakPolarHBondContact CB-NE2 3.49Å; H9-H11 PolarHBondContact O-CD2 3.27Å; H9-H11 PolarHBondContact O-N 3.05Å; H11-F13 VanDerWaalsContact C-N 3.34Å; H11-H18 AromaticContact CE1-NE2 3.64Å; H11-H18 AromaticContact CG-NE2 3.81Å; H11-H18 AromaticContact ND1-CD2 3.86Å; H11-H18 AromaticContact ND1-CE1 3.69Å; H11-H18 AromaticContact ND1-NE2 2.81Å; H11-H18 PolarHBondContact ND1-NE2 3.04Å; H11-I51 WeakPolarHBondContact CE1-CG2 3.32Å; H11-T55 HydrophobicContact CB-CG2 3.73Å; H11-T67 WeakPolarHBondContact O-CB 3.45Å; H11-T67 WeakPolarHBondContact O-CG2 3.08Å; H11-T67 PolarHBondContact O-OG1 3.43Å
12E86.5Confident88.3Confident54 Ų5445.6 Ų45.625%0.25222%0.216SC..SBendtrans-65.8-39.7177.6-176.1178.3-169.400111R10 P56 L58 Q68R10-E12 PolarHBondContact O-N 3.25Å; E12-P56 HydrophobicContact CB-CG 4.26Å; E12-P56 WeakPolarHBondContact CB-O 3.25Å; E12-P56 PolarHBondContact N-O 3.33Å; E12-L58 HydrophobicContact CB-CD2 3.96Å; E12-L58 HydrophobicContact CB-CG 4Å; E12-L58 HydrophobicContact CG-CD2 3.83Å; E12-L58 HydrophobicContact CG-CG 4.4Å; E12-Q68 PolarHBondContact O-N 2.75Å
13F90.5Very high88.9Confident73 Ų7345.6 Ų45.632%0.3221%0.214SC..EExtended strand (participates in β ladder)trans-120.5136.5-177.5-57.4-68.2000112.9H11 T55 P56 Q68 T70H11-F13 VanDerWaalsContact C-N 3.34Å; F13-T55 WeakPolarHBondContact O-CG2 3.45Å; F13-P56 HydrophobicContact CD2-CG 3.87Å; F13-P56 HydrophobicContact CE2-CG 4.04Å; F13-Q68 CarbonylContact C-O 3.5Å; F13-Q68 VanDerWaalsContact CA-O 3.26Å; F13-Q68 WeakPolarHBondContact CA-O 3.34Å; F13-Q68 HydrophobicContact CD1-CB 4.38Å; F13-T70 HydrophobicContact CB-CG2 4.01Å
14M90Very high89.3Confident0 Ų041.8 Ų41.80%020%0.198CC..EExtended strand (participates in β ladder)trans-95.7113169-173.6179.858.100109.9A2 F3 A6 H18 T67 Q68 P69 T70 F73A2-M14 HydrophobicContact CB-CG 4.5Å; A2-M14 HydrophobicContact CB-SD 3.67Å; F3-M14 HydrophobicContact CB-SD 4.28Å; F3-M14 HydrophobicContact CD1-CE 3.95Å; F3-M14 HydrophobicContact CD1-SD 3.99Å; F3-M14 HydrophobicContact CD2-CE 3.5Å; F3-M14 HydrophobicContact CD2-SD 3.74Å; F3-M14 HydrophobicContact CE1-CE 3.64Å; F3-M14 HydrophobicContact CE1-SD 4.28Å; F3-M14 HydrophobicContact CE2-CE 3.17Å; F3-M14 HydrophobicContact CE2-SD 4.07Å; F3-M14 HydrophobicContact CG-CE 3.89Å; F3-M14 HydrophobicContact CG-SD 3.71Å; F3-M14 HydrophobicContact CZ-CE 3.24Å; F3-M14 HydrophobicContact CZ-SD 4.32Å; F3-M14 PolarHBondContact N-SD 3.1Å; A6-M14 HydrophobicContact CB-CG 4.5Å; M14-H18 HydrophobicContact CG-CB 3.92Å; M14-T67 HydrophobicContact CB-CG2 4.02Å; M14-Q68 PolarHBondContact N-O 3.41Å; M14-P69 HydrophobicContact CE-CB 3.9Å; M14-T70 PolarHBondContact O-N 3.28Å; M14-F73 HydrophobicContact CE-CD1 3.83Å; M14-F73 HydrophobicContact CE-CD2 4.06Å; M14-F73 HydrophobicContact CE-CE1 3.31Å; M14-F73 HydrophobicContact CE-CE2 3.54Å; M14-F73 HydrophobicContact CE-CG 4.19Å; M14-F73 HydrophobicContact CE-CZ 3.17Å; M14-F73 HydrophobicContact CG-CD2 4.27Å; M14-F73 HydrophobicContact CG-CE2 4.1Å; M14-F73 HydrophobicContact SD-CE2 3.88Å; M14-F73 HydrophobicContact SD-CZ 3.93Å
15T92.5Very high89.6Confident24 Ų2441.8 Ų41.815%0.14719%0.194CC..  trans-101.7178.3-172.672.80000113.4E17 H18 L19 T70 F73T15-E17 WeakPolarHBondContact CB-OE2 3.3Å; T15-E17 PolarHBondContact O-N 3.07Å; T15-E17 PolarHBondContact OG1-N 3.15Å; T15-E17 PolarHBondContact OG1-OE2 3Å; T15-H18 PolarHBondContact N-ND1 3.36Å; T15-H18 WeakPolarHBondContact O-CB 3.5Å; T15-H18 PolarHBondContact O-N 3.15Å; T15-H18 PolarHBondContact OG1-ND1 2.93Å; T15-L19 PolarHBondContact O-N 2.98Å; T15-T70 HydrophobicContact CG2-CG2 3.99Å; T15-F73 WeakPolarHBondContact O-CD2 3.43Å
16V93.9Very high90.2Very high3 Ų339.7 Ų39.72%0.01819%0.189CC..Hα-helixtrans-65.6-29.2176.5-174.70000111.2L19 L20 V76 I101 A109V16-L19 VanDerWaalsContact O-CB 3.29Å; V16-L19 WeakPolarHBondContact O-CB 3.25Å; V16-L19 PolarHBondContact O-N 3.47Å; V16-L20 PolarHBondContact O-N 3.4Å; V16-V76 HydrophobicContact CG1-CG2 4.32Å; V16-V76 HydrophobicContact CG2-CG2 4.37Å; V16-I101 HydrophobicContact CG1-CB 4.5Å; V16-I101 HydrophobicContact CG1-CG1 4.03Å; V16-I101 HydrophobicContact CG1-CG2 3.98Å; V16-A109 HydrophobicContact CB-CB 4.42Å; V16-A109 HydrophobicContact CG1-CB 3.83Å
17E95Very high90.4Very high17 Ų1744.5 Ų44.58%0.07922%0.22CC..Hα-helixtrans-67.8-39.2176.7-62.570-148.500111T15 L19 L20 L21 L47 F50 I51 Q108 A109T15-E17 WeakPolarHBondContact CB-OE2 3.3Å; T15-E17 PolarHBondContact O-N 3.07Å; T15-E17 PolarHBondContact OG1-N 3.15Å; T15-E17 PolarHBondContact OG1-OE2 3Å; E17-L19 VanDerWaalsContact C-N 3.26Å; E17-L19 PolarHBondContact O-N 3.09Å; E17-L20 PolarHBondContact O-N 2.71Å; E17-L21 VanDerWaalsContact O-CB 3.3Å; E17-L21 WeakPolarHBondContact O-CB 3.28Å; E17-L21 PolarHBondContact O-N 3.17Å; E17-L47 HydrophobicContact CB-CD2 3.94Å; E17-L47 HydrophobicContact CG-CD2 4.24Å; E17-F50 HydrophobicContact CB-CD1 4.43Å; E17-F50 HydrophobicContact CG-CD1 3.81Å; E17-F50 HydrophobicContact CG-CE1 3.79Å; E17-I51 HydrophobicContact CB-CD1 4.06Å; E17-I51 HydrophobicContact CB-CG1 3.89Å; E17-Q108 HydrophobicContact CG-CB 3.98Å; E17-Q108 PolarHBondContact OE1-N 2.85Å; E17-A109 HydrophobicContact CG-CB 4.25Å; E17-A109 PolarHBondContact OE1-N 3.15Å
18H94Very high90.6Very high9 Ų940 Ų404%0.04221%0.208CC..Hα-helixtrans-61.3-38.2171.2-68.580.7000111.8H11 M14 T15 A22 I51H11-H18 AromaticContact CE1-NE2 3.64Å; H11-H18 AromaticContact CG-NE2 3.81Å; H11-H18 AromaticContact ND1-CD2 3.86Å; H11-H18 AromaticContact ND1-CE1 3.69Å; H11-H18 AromaticContact ND1-NE2 2.81Å; H11-H18 PolarHBondContact ND1-NE2 3.04Å; M14-H18 HydrophobicContact CG-CB 3.92Å; T15-H18 PolarHBondContact N-ND1 3.36Å; T15-H18 WeakPolarHBondContact O-CB 3.5Å; T15-H18 PolarHBondContact O-N 3.15Å; T15-H18 PolarHBondContact OG1-ND1 2.93Å; H18-A22 WeakPolarHBondContact O-CB 3.08Å; H18-A22 PolarHBondContact O-N 2.65Å; H18-I51 WeakPolarHBondContact NE2-CG2 3.38Å
19L94Very high90.9Very high15 Ų1532.9 Ų32.98%0.07917%0.174CC..Hα-helixtrans-64.7-49.7176.1-173.256.4000110.6T15 V16 E17 L21 A22 L23 F73 V76 L77 V97T15-L19 PolarHBondContact O-N 2.98Å; V16-L19 VanDerWaalsContact O-CB 3.29Å; V16-L19 WeakPolarHBondContact O-CB 3.25Å; V16-L19 PolarHBondContact O-N 3.47Å; E17-L19 VanDerWaalsContact C-N 3.26Å; E17-L19 PolarHBondContact O-N 3.09Å; L19-L21 PolarHBondContact O-N 2.91Å; L19-A22 PolarHBondContact O-N 3.34Å; L19-L23 HydrophobicContact CG-CD1 4.43Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.2Å; L19-F73 HydrophobicContact CB-CD2 3.89Å; L19-F73 HydrophobicContact CB-CE2 3.71Å; L19-F73 HydrophobicContact CD1-CE2 3.8Å; L19-F73 HydrophobicContact CD1-CZ 4.25Å; L19-F73 HydrophobicContact CD2-CD2 4.11Å; L19-F73 HydrophobicContact CD2-CE2 4.01Å; L19-F73 HydrophobicContact CG-CD2 4.45Å; L19-F73 HydrophobicContact CG-CE2 4.04Å; L19-V76 HydrophobicContact CD2-CB 4.27Å; L19-V76 HydrophobicContact CD2-CG1 3.68Å; L19-L77 HydrophobicContact CD2-CD2 4.4Å; L19-V97 HydrophobicContact CD1-CG1 4.18Å; L19-V97 HydrophobicContact CD2-CG1 3.7Å; L19-V97 HydrophobicContact CG-CG1 4.05Å
20L94.8Very high91.2Very high0 Ų034.4 Ų34.40%018%0.177CC..Hα-helixtrans-60.8-44.1178.1-176.156.6000111.7V16 E17 A22 L23 L24 L47 L98 I101 A109 L113V16-L20 PolarHBondContact O-N 3.4Å; E17-L20 PolarHBondContact O-N 2.71Å; L20-A22 VanDerWaalsContact C-N 3.29Å; L20-A22 PolarHBondContact O-N 3.35Å; L20-L23 WeakPolarHBondContact O-CA 3.49Å; L20-L23 WeakPolarHBondContact O-CB 3.46Å; L20-L23 PolarHBondContact O-N 2.87Å; L20-L24 WeakPolarHBondContact O-CG 3.41Å; L20-L24 PolarHBondContact O-N 3.16Å; L20-L24 VanDerWaalsContact O-N 3.11Å; L20-L47 HydrophobicContact CB-CD1 4.23Å; L20-L47 HydrophobicContact CB-CD2 4.49Å; L20-L47 HydrophobicContact CD2-CD1 3.93Å; L20-L47 HydrophobicContact CD2-CD2 4.16Å; L20-L47 HydrophobicContact CG-CD1 3.79Å; L20-L98 HydrophobicContact CD1-CD1 3.65Å; L20-I101 HydrophobicContact CB-CD1 4.06Å; L20-I101 HydrophobicContact CD1-CD1 4.08Å; L20-A109 HydrophobicContact CB-CB 4.12Å; L20-A109 HydrophobicContact CD2-CB 3.8Å; L20-L113 HydrophobicContact CD1-CD1 4.18Å; L20-L113 HydrophobicContact CD1-CD2 4.19Å; L20-L113 HydrophobicContact CD1-CG 4.42Å; L20-L113 HydrophobicContact CD2-CD1 4.03Å; L20-L113 HydrophobicContact CD2-CD2 4.2Å; L20-L113 HydrophobicContact CD2-CG 3.82Å
21L93.6Very high91.3Very high6 Ų633.8 Ų33.83%0.03118%0.178CC..Hα-helixtrans-59.5-40.1177.2-178.560.7000112E17 L19 L24 R44 L47 E48 I51E17-L21 VanDerWaalsContact O-CB 3.3Å; E17-L21 WeakPolarHBondContact O-CB 3.28Å; E17-L21 PolarHBondContact O-N 3.17Å; L19-L21 PolarHBondContact O-N 2.91Å; L21-L24 HydrophobicContact CD1-CD1 4.21Å; L21-L24 PolarHBondContact O-N 3.21Å; L21-R44 HydrophobicContact CD1-CB 4.46Å; L21-R44 HydrophobicContact CD1-CG 3.86Å; L21-L47 HydrophobicContact CB-CB 4.45Å; L21-L47 HydrophobicContact CB-CD1 4.31Å; L21-L47 HydrophobicContact CD1-CB 4.23Å; L21-E48 HydrophobicContact CD1-CG 3.96Å; L21-E48 HydrophobicContact CD2-CG 3.79Å; L21-I51 HydrophobicContact CB-CD1 4.4Å; L21-I51 HydrophobicContact CD2-CD1 3.81Å
22A93.2Very high91.1Very high20 Ų2033 Ų3317%0.16518%0.175CC..Hα-helixtrans-68.4-37173.900000112.3M1 A2 H18 L19 L20 L24 S25M1-A22 HydrophobicContact CB-CB 4.23Å; A2-A22 HydrophobicContact CB-CB 3.89Å; H18-A22 WeakPolarHBondContact O-CB 3.08Å; H18-A22 PolarHBondContact O-N 2.65Å; L19-A22 PolarHBondContact O-N 3.34Å; L20-A22 VanDerWaalsContact C-N 3.29Å; L20-A22 PolarHBondContact O-N 3.35Å; A22-L24 PolarHBondContact O-N 3.37Å; A22-S25 PolarHBondContact O-N 3.26Å; A22-S25 VanDerWaalsContact O-N 3.09Å
23L93.1Very high91.3Very high11 Ų1130.5 Ų30.56%0.05816%0.163CC..Hα-helixtrans-64-27.1177-71.9174.2000112.9L19 L20 S25 N26 A29 V97 L98 I101L19-L23 HydrophobicContact CG-CD1 4.43Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.2Å; L20-L23 WeakPolarHBondContact O-CA 3.49Å; L20-L23 WeakPolarHBondContact O-CB 3.46Å; L20-L23 PolarHBondContact O-N 2.87Å; L23-S25 PolarHBondContact O-N 3.42Å; L23-S25 VanDerWaalsContact O-N 3.09Å; L23-N26 HydrophobicContact CD2-CB 4.28Å; L23-N26 WeakPolarHBondContact O-CB 3.45Å; L23-N26 PolarHBondContact O-N 2.74Å; L23-A29 HydrophobicContact CB-CB 3.92Å; L23-A29 HydrophobicContact CD2-CB 4.02Å; L23-A29 HydrophobicContact CG-CB 4.46Å; L23-V97 HydrophobicContact CD1-CB 4.18Å; L23-V97 HydrophobicContact CD1-CG1 3.95Å; L23-V97 HydrophobicContact CD2-CB 4.26Å; L23-V97 HydrophobicContact CD2-CG1 4.5Å; L23-L98 HydrophobicContact CD1-CB 4.34Å; L23-I101 HydrophobicContact CD1-CD1 3.62Å
24L91.6Very high91.2Very high5 Ų531.2 Ų31.23%0.02617%0.167CC..THydrogen-bonded Turntrans-59.1-22.3172.9-56.1-173.1000113.2L20 L21 A22 L33 L40 L43 R44 L47L20-L24 WeakPolarHBondContact O-CG 3.41Å; L20-L24 PolarHBondContact O-N 3.16Å; L20-L24 VanDerWaalsContact O-N 3.11Å; L21-L24 HydrophobicContact CD1-CD1 4.21Å; L21-L24 PolarHBondContact O-N 3.21Å; A22-L24 PolarHBondContact O-N 3.37Å; L24-L33 HydrophobicContact CD2-CD1 3.6Å; L24-L40 HydrophobicContact CD2-CD2 4.18Å; L24-L43 HydrophobicContact CD1-CG 4.44Å; L24-L43 HydrophobicContact CD2-CD2 3.8Å; L24-L43 HydrophobicContact CD2-CG 4.37Å; L24-R44 HydrophobicContact CD1-CB 3.72Å; L24-R44 HydrophobicContact CD1-CG 4.5Å; L24-L47 HydrophobicContact CD1-CD1 4.15Å
25S88.1Confident90.8Very high64 Ų6431.5 Ų31.545%0.44817%0.17SC..THydrogen-bonded Turntrans-100-6176.6-47.40000112.9A22 L23 R44A22-S25 PolarHBondContact O-N 3.26Å; A22-S25 VanDerWaalsContact O-N 3.09Å; L23-S25 PolarHBondContact O-N 3.42Å; L23-S25 VanDerWaalsContact O-N 3.09Å; S25-R44 PolarHBondContact OG-NH2 2.88Å
26N92.2Very high90.3Very high39 Ų3930.6 Ų30.621%0.20917%0.165CC..SBendtrans-81.6127.4177.3178.8-84.4000109.7L23 S28 A29 R30L23-N26 HydrophobicContact CD2-CB 4.28Å; L23-N26 WeakPolarHBondContact O-CB 3.45Å; L23-N26 PolarHBondContact O-N 2.74Å; N26-S28 PolarHBondContact O-N 3.35Å; N26-S28 PolarHBondContact OD1-N 3.43Å; N26-S28 VanDerWaalsContact OD1-N 3.11Å; N26-S28 PolarHBondContact OD1-OG 2.88Å; N26-A29 HydrophobicContact CB-CB 4.24Å; N26-A29 PolarHBondContact O-N 3.25Å; N26-A29 PolarHBondContact OD1-N 3.48Å; N26-R30 WeakPolarHBondContact O-CB 3.36Å; N26-R30 PolarHBondContact O-N 3.16Å
27P89Confident89.8Confident100 Ų10033.8 Ų33.865%0.64919%0.187SC*.Hα-helixtrans-53.8-48.4-175.6-27.934.3000114R30 E31P27-R30 PolarHBondContact O-N 3.15Å; P27-E31 WeakPolarHBondContact O-CB 3.37Å; P27-E31 PolarHBondContact O-N 3.49Å
28S87.8Confident89.4Confident33 Ų3333.6 Ų33.623%0.23119%0.187CC..Hα-helixtrans-69.3-38.5-176.163.30000113.8N26 A32 G94 A95N26-S28 PolarHBondContact O-N 3.35Å; N26-S28 PolarHBondContact OD1-N 3.43Å; N26-S28 VanDerWaalsContact OD1-N 3.11Å; N26-S28 PolarHBondContact OD1-OG 2.88Å; S28-A32 PolarHBondContact O-N 3.02Å; S28-G94 WeakPolarHBondContact OG-CA 3.46Å; S28-G94 PolarHBondContact OG-N 2.98Å; S28-A95 PolarHBondContact OG-N 3.29Å
29A90.2Very high89.2Confident0 Ų037.5 Ų37.50%021%0.208CC..Hα-helixtrans-74.2-37177.100000111.4L23 N26 A32 L33L23-A29 HydrophobicContact CB-CB 3.92Å; L23-A29 HydrophobicContact CD2-CB 4.02Å; L23-A29 HydrophobicContact CG-CB 4.46Å; N26-A29 HydrophobicContact CB-CB 4.24Å; N26-A29 PolarHBondContact O-N 3.25Å; N26-A29 PolarHBondContact OD1-N 3.48Å; A29-A32 PolarHBondContact O-N 3.46Å; A29-L33 WeakPolarHBondContact O-CG 3.43Å; A29-L33 PolarHBondContact O-N 3.5Å
30R90.2Very high89Confident123 Ų12338 Ų3846%0.46421%0.211SC..Hα-helixtrans-61.5-48175.9-178.9176.9172.2-179.1-3.4111.4N26 P27 A32 L33 E34 L40N26-R30 WeakPolarHBondContact O-CB 3.36Å; N26-R30 PolarHBondContact O-N 3.16Å; P27-R30 PolarHBondContact O-N 3.15Å; R30-A32 VanDerWaalsContact C-N 3.28Å; R30-A32 PolarHBondContact O-N 3.12Å; R30-L33 PolarHBondContact O-N 3.35Å; R30-L33 VanDerWaalsContact O-N 3.16Å; R30-E34 HydrophobicContact CG-CG 4.31Å; R30-E34 IonicContact CZ-OE1 3.71Å; R30-E34 VanDerWaalsContact CZ-OE1 3.28Å; R30-E34 IonicContact NE-OE1 3.9Å; R30-E34 PolarHBondContact NE-OE1 3.02Å; R30-E34 IonicContact NH2-OE1 2.61Å; R30-E34 PolarHBondContact NH2-OE1 3.26Å; R30-E34 WeakPolarHBondContact O-CB 3.36Å; R30-E34 WeakPolarHBondContact O-CG 3.28Å; R30-E34 PolarHBondContact O-N 3.37Å; R30-L40 HydrophobicContact CG-CD1 3.71Å
31E87.4Confident88.8Confident98 Ų9842.5 Ų42.546%0.45824%0.238SC..Hα-helixtrans-58.8-41.3178.3-164.5-176.8-179.900111.7P27 E34 A35 F126P27-E31 WeakPolarHBondContact O-CB 3.37Å; P27-E31 PolarHBondContact O-N 3.49Å; E31-E34 PolarHBondContact O-N 3.37Å; E31-A35 VanDerWaalsContact O-CB 3.31Å; E31-A35 WeakPolarHBondContact O-CB 3.41Å; E31-A35 PolarHBondContact O-N 2.94Å; E31-F126 HydrophobicContact CB-CE1 4.45Å; E31-F126 HydrophobicContact CB-CZ 4.42Å; E31-F126 HydrophobicContact CG-CE1 4.24Å; E31-F126 HydrophobicContact CG-CZ 3.75Å
32A86.7Confident88.7Confident0 Ų043.4 Ų43.40%025%0.246CC..Hα-helixtrans-65.8-38.6176.400000113.2S28 A29 R30 C36 L98 V123 F126S28-A32 PolarHBondContact O-N 3.02Å; A29-A32 PolarHBondContact O-N 3.46Å; R30-A32 VanDerWaalsContact C-N 3.28Å; R30-A32 PolarHBondContact O-N 3.12Å; A32-C36 PolarHBondContact O-N 3.17Å; A32-C36 PolarHBondContact O-SG 2.76Å; A32-L98 HydrophobicContact CB-CD2 4.34Å; A32-V123 HydrophobicContact CB-CG1 4.26Å; A32-F126 HydrophobicContact CB-CD1 3.54Å; A32-F126 HydrophobicContact CB-CE1 3.91Å; A32-F126 HydrophobicContact CB-CG 4.41Å
33L90.1Very high88.7Confident0 Ų042.4 Ų42.40%024%0.238CC..Hα-helixtrans-71.6-40176.4-71169.2000112.1L24 A29 R30 A35 C36 S37 V38 L40 L98 L113 V118L24-L33 HydrophobicContact CD2-CD1 3.6Å; A29-L33 WeakPolarHBondContact O-CG 3.43Å; A29-L33 PolarHBondContact O-N 3.5Å; R30-L33 PolarHBondContact O-N 3.35Å; R30-L33 VanDerWaalsContact O-N 3.16Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-C36 CarbonylContact O-C 3.57Å; L33-C36 WeakPolarHBondContact O-CB 3.46Å; L33-C36 PolarHBondContact O-N 3.13Å; L33-C36 VanDerWaalsContact O-N 3.11Å; L33-S37 PolarHBondContact O-N 3.37Å; L33-V38 HydrophobicContact CB-CB 4.43Å; L33-V38 HydrophobicContact CB-CG2 4.47Å; L33-V38 HydrophobicContact CD2-CG2 4.27Å; L33-V38 WeakPolarHBondContact O-CB 3.13Å; L33-V38 VanDerWaalsContact O-CG2 3.31Å; L33-V38 WeakPolarHBondContact O-CG2 3.49Å; L33-V38 PolarHBondContact O-N 2.91Å; L33-L40 HydrophobicContact CB-CD2 3.68Å; L33-L40 HydrophobicContact CD1-CD2 3.96Å; L33-L40 HydrophobicContact CG-CD2 4.44Å; L33-L98 HydrophobicContact CD1-CD2 4.32Å; L33-L98 HydrophobicContact CD2-CD1 4.29Å; L33-L98 HydrophobicContact CD2-CD2 3.82Å; L33-L98 HydrophobicContact CG-CD2 3.72Å; L33-L113 HydrophobicContact CD2-CD2 3.71Å; L33-V118 HydrophobicContact CD2-CG1 4.36Å; L33-V118 HydrophobicContact CD2-CG2 4.29Å
34E87.5Confident88.8Confident88 Ų8846.3 Ų46.341%0.41125%0.252SS..Hα-helixtrans-63.9-38.4174.5-72176.4168.900111R30 E31 C36 S37 L40R30-E34 HydrophobicContact CG-CG 4.31Å; R30-E34 IonicContact CZ-OE1 3.71Å; R30-E34 VanDerWaalsContact CZ-OE1 3.28Å; R30-E34 IonicContact NE-OE1 3.9Å; R30-E34 PolarHBondContact NE-OE1 3.02Å; R30-E34 IonicContact NH2-OE1 2.61Å; R30-E34 PolarHBondContact NH2-OE1 3.26Å; R30-E34 WeakPolarHBondContact O-CB 3.36Å; R30-E34 WeakPolarHBondContact O-CG 3.28Å; R30-E34 PolarHBondContact O-N 3.37Å; E31-E34 PolarHBondContact O-N 3.37Å; E34-C36 PolarHBondContact O-N 3.18Å; E34-S37 PolarHBondContact O-N 3.3Å; E34-L40 HydrophobicContact CG-CD1 3.81Å; E34-L40 HydrophobicContact CG-CG 4.47Å
35A82.2Confident88.9Confident6 Ų652 Ų525%0.0528%0.279CS..Hα-helixtrans-63.8-21.9173.500000113.8E31 L33 S37 F126 R132 K133E31-A35 VanDerWaalsContact O-CB 3.31Å; E31-A35 WeakPolarHBondContact O-CB 3.41Å; E31-A35 PolarHBondContact O-N 2.94Å; L33-A35 VanDerWaalsContact C-N 3.32Å; A35-S37 VanDerWaalsContact C-N 3.33Å; A35-F126 HydrophobicContact CB-CD2 3.39Å; A35-F126 HydrophobicContact CB-CE2 3.48Å; A35-F126 VanDerWaalsContact CB-CE2 3.48Å; A35-F126 HydrophobicContact CB-CG 4.05Å; A35-F126 HydrophobicContact CB-CZ 4.19Å; A35-R132 HydrophobicContact CB-CG 3.95Å; A35-K133 PolarHBondContact O-N 3.45Å
36C83Confident89.1Confident6 Ų651.7 Ų51.74%0.04127%0.27CS..THydrogen-bonded Turntrans-91.27.4173.9-62.30000113.1A32 L33 E34 V38 V118A32-C36 PolarHBondContact O-N 3.17Å; A32-C36 PolarHBondContact O-SG 2.76Å; L33-C36 CarbonylContact O-C 3.57Å; L33-C36 WeakPolarHBondContact O-CB 3.46Å; L33-C36 PolarHBondContact O-N 3.13Å; L33-C36 VanDerWaalsContact O-N 3.11Å; E34-C36 PolarHBondContact O-N 3.18Å; C36-V38 VanDerWaalsContact C-N 3.33Å; C36-V38 HydrophobicContact CB-CG2 4.02Å; C36-V38 PolarHBondContact O-N 2.81Å; C36-V118 HydrophobicContact CB-CG1 4.33Å; C36-V118 HydrophobicContact CB-CG2 4.36Å
37S82.9Confident89.2Confident69 Ų6949.9 Ų49.948%0.48326%0.26SS..THydrogen-bonded Turntrans61.135.1179.7-43.80000113.9L33 E34 A35 D134L33-S37 PolarHBondContact O-N 3.37Å; E34-S37 PolarHBondContact O-N 3.3Å; A35-S37 VanDerWaalsContact C-N 3.33Å; S37-D134 PolarHBondContact OG-OD1 3.42Å
38V86.4Confident89.4Confident14 Ų1448 Ų489%0.08524%0.243CC..  trans-82.5131.3-179.7-178.50000111.4L33 C36 L40 L43 H116 V118L33-V38 HydrophobicContact CB-CB 4.43Å; L33-V38 HydrophobicContact CB-CG2 4.47Å; L33-V38 HydrophobicContact CD2-CG2 4.27Å; L33-V38 WeakPolarHBondContact O-CB 3.13Å; L33-V38 VanDerWaalsContact O-CG2 3.31Å; L33-V38 WeakPolarHBondContact O-CG2 3.49Å; L33-V38 PolarHBondContact O-N 2.91Å; C36-V38 VanDerWaalsContact C-N 3.33Å; C36-V38 HydrophobicContact CB-CG2 4.02Å; C36-V38 PolarHBondContact O-N 2.81Å; V38-L40 HydrophobicContact CB-CD2 4.45Å; V38-L40 HydrophobicContact CG1-CD2 4.25Å; V38-L40 PolarHBondContact O-N 2.91Å; V38-L43 HydrophobicContact CG1-CB 4.5Å; V38-L43 HydrophobicContact CG1-CD2 4.06Å; V38-H116 HydrophobicContact CG1-CB 4.1Å; V38-V118 HydrophobicContact CB-CG2 4.46Å; V38-V118 HydrophobicContact CG2-CG2 3.08Å
39D89Confident89.6Confident91 Ų9148.4 Ų48.449%0.48725%0.248SC..  trans-72.396.7164.8-174.1-13.6000110.5V41 A42 L43D39-V41 PolarHBondContact O-N 3.27Å; D39-V41 WeakPolarHBondContact OD1-CA 3.28Å; D39-V41 WeakPolarHBondContact OD1-CB 3.39Å; D39-V41 PolarHBondContact OD1-N 2.98Å; D39-A42 HydrophobicContact CB-CB 4.04Å; D39-A42 PolarHBondContact O-N 3.39Å; D39-A42 PolarHBondContact OD1-N 3.46Å; D39-A42 VanDerWaalsContact OD1-N 3.12Å; D39-L43 PolarHBondContact O-N 3.17Å
40L90.7Very high89.7Confident26 Ų2651 Ų5114%0.13626%0.259CS..Hα-helixtrans-64.5-26.1179.4-58.2-179.5000113.2L24 R30 L33 E34 V38 R44L24-L40 HydrophobicContact CD2-CD2 4.18Å; R30-L40 HydrophobicContact CG-CD1 3.71Å; L33-L40 HydrophobicContact CB-CD2 3.68Å; L33-L40 HydrophobicContact CD1-CD2 3.96Å; L33-L40 HydrophobicContact CG-CD2 4.44Å; E34-L40 HydrophobicContact CG-CD1 3.81Å; E34-L40 HydrophobicContact CG-CG 4.47Å; V38-L40 HydrophobicContact CB-CD2 4.45Å; V38-L40 HydrophobicContact CG1-CD2 4.25Å; V38-L40 PolarHBondContact O-N 2.91Å; L40-R44 WeakPolarHBondContact O-CB 3.46Å; L40-R44 PolarHBondContact O-N 3.29Å
41V91Very high89.8Confident93 Ų9345.4 Ų45.456%0.56424%0.239SC*.Hα-helixtrans-73.3-47.3-179.8-179.50000109.1D39 R44 Q45D39-V41 PolarHBondContact O-N 3.27Å; D39-V41 WeakPolarHBondContact OD1-CA 3.28Å; D39-V41 WeakPolarHBondContact OD1-CB 3.39Å; D39-V41 PolarHBondContact OD1-N 2.98Å; V41-R44 PolarHBondContact O-N 2.92Å; V41-Q45 WeakPolarHBondContact O-CG 3.47Å; V41-Q45 PolarHBondContact O-N 2.86Å
42A91.3Very high89.9Confident25 Ų2548.3 Ų48.321%0.20725%0.252CS..Hα-helixtrans-60.6-48.4174.300000111.5D39 R44 Q45 E46D39-A42 HydrophobicContact CB-CB 4.04Å; D39-A42 PolarHBondContact O-N 3.39Å; D39-A42 PolarHBondContact OD1-N 3.46Å; D39-A42 VanDerWaalsContact OD1-N 3.12Å; A42-R44 VanDerWaalsContact C-N 3.29Å; A42-R44 PolarHBondContact O-N 3.03Å; A42-Q45 PolarHBondContact O-N 3.1Å; A42-E46 WeakPolarHBondContact O-CG 3.39Å; A42-E46 PolarHBondContact O-N 3.09Å
43L92.9Very high90Very high0 Ų056 Ų560%029%0.288CS..Hα-helixtrans-60.6-38.4178.7179.259000112.2L24 V38 D39 L47 L112 L113L24-L43 HydrophobicContact CD1-CG 4.44Å; L24-L43 HydrophobicContact CD2-CD2 3.8Å; L24-L43 HydrophobicContact CD2-CG 4.37Å; V38-L43 HydrophobicContact CG1-CB 4.5Å; V38-L43 HydrophobicContact CG1-CD2 4.06Å; D39-L43 PolarHBondContact O-N 3.17Å; L43-L47 HydrophobicContact CD1-CD1 4.04Å; L43-L47 HydrophobicContact CD1-CG 4.27Å; L43-L47 HydrophobicContact CG-CD1 3.99Å; L43-L47 WeakPolarHBondContact O-CB 3.49Å; L43-L47 WeakPolarHBondContact O-CD1 3.17Å; L43-L47 VanDerWaalsContact O-CG 3.32Å; L43-L47 WeakPolarHBondContact O-CG 3.41Å; L43-L47 PolarHBondContact O-N 3.11Å; L43-L112 HydrophobicContact CD1-CB 3.77Å; L43-L112 HydrophobicContact CD1-CD1 4.41Å; L43-L113 HydrophobicContact CD2-CD2 4.27Å
44R94.2Very high89.8Confident92 Ų9259.5 Ų59.535%0.34731%0.31SS..Hα-helixtrans-62-48.4174.9174.9172.5-74.4176.8-3.8111.6L21 L24 S25 L40 V41 A42 E46 L47 E48L21-R44 HydrophobicContact CD1-CB 4.46Å; L21-R44 HydrophobicContact CD1-CG 3.86Å; L24-R44 HydrophobicContact CD1-CB 3.72Å; L24-R44 HydrophobicContact CD1-CG 4.5Å; S25-R44 PolarHBondContact OG-NH2 2.88Å; L40-R44 WeakPolarHBondContact O-CB 3.46Å; L40-R44 PolarHBondContact O-N 3.29Å; V41-R44 PolarHBondContact O-N 2.92Å; A42-R44 VanDerWaalsContact C-N 3.29Å; A42-R44 PolarHBondContact O-N 3.03Å; R44-E46 VanDerWaalsContact C-N 3.34Å; R44-E46 PolarHBondContact O-N 3.44Å; R44-L47 PolarHBondContact O-N 2.86Å; R44-E48 HydrophobicContact CG-CG 4.33Å; R44-E48 VanDerWaalsContact CG-OE1 3.28Å; R44-E48 WeakPolarHBondContact CG-OE1 3.48Å; R44-E48 WeakPolarHBondContact O-CB 3.43Å; R44-E48 WeakPolarHBondContact O-CG 3.21Å; R44-E48 PolarHBondContact O-N 2.92Å
45Q93.3Very high89.8Confident126 Ų12655.9 Ų55.959%0.58929%0.294SS*.Hα-helixtrans-62-42.2-179.5-72.7177.5-0.900111.6V41 A42 E48 A49V41-Q45 WeakPolarHBondContact O-CG 3.47Å; V41-Q45 PolarHBondContact O-N 2.86Å; A42-Q45 PolarHBondContact O-N 3.1Å; Q45-E48 PolarHBondContact O-N 3.07Å; Q45-A49 VanDerWaalsContact O-CB 3.27Å; Q45-A49 WeakPolarHBondContact O-CB 3.31Å; Q45-A49 PolarHBondContact O-N 3.22Å
46E94.1Very high90Very high57 Ų5758.4 Ų58.427%0.26631%0.31SS..Hα-helixtrans-65.7-39.8177.9-68.2-170.9-164.700112.3A42 R44 F50 L112 K115A42-E46 WeakPolarHBondContact O-CG 3.39Å; A42-E46 PolarHBondContact O-N 3.09Å; R44-E46 VanDerWaalsContact C-N 3.34Å; R44-E46 PolarHBondContact O-N 3.44Å; E46-F50 VanDerWaalsContact O-CB 3.31Å; E46-F50 WeakPolarHBondContact O-CB 3.24Å; E46-F50 PolarHBondContact O-N 3.06Å; E46-L112 HydrophobicContact CB-CD1 4.33Å; E46-L112 HydrophobicContact CB-CD2 4.15Å; E46-L112 WeakPolarHBondContact OE2-CD2 3.4Å; E46-K115 IonicContact OE1-NZ 3.8Å; E46-K115 PolarHBondContact OE1-NZ 3.27Å; E46-K115 IonicContact OE2-NZ 2.61Å; E46-K115 PolarHBondContact OE2-NZ 3.32Å
47L93.6Very high90.2Very high0 Ų062.3 Ų62.30%033%0.333CS..Hα-helixtrans-66.8-44.6175.4-77.4165.9000112.3E17 L20 L21 L24 L43 R44 F50 I51 L112E17-L47 HydrophobicContact CB-CD2 3.94Å; E17-L47 HydrophobicContact CG-CD2 4.24Å; L20-L47 HydrophobicContact CB-CD1 4.23Å; L20-L47 HydrophobicContact CB-CD2 4.49Å; L20-L47 HydrophobicContact CD2-CD1 3.93Å; L20-L47 HydrophobicContact CD2-CD2 4.16Å; L20-L47 HydrophobicContact CG-CD1 3.79Å; L21-L47 HydrophobicContact CB-CB 4.45Å; L21-L47 HydrophobicContact CB-CD1 4.31Å; L21-L47 HydrophobicContact CD1-CB 4.23Å; L24-L47 HydrophobicContact CD1-CD1 4.15Å; L43-L47 HydrophobicContact CD1-CD1 4.04Å; L43-L47 HydrophobicContact CD1-CG 4.27Å; L43-L47 HydrophobicContact CG-CD1 3.99Å; L43-L47 WeakPolarHBondContact O-CB 3.49Å; L43-L47 WeakPolarHBondContact O-CD1 3.17Å; L43-L47 VanDerWaalsContact O-CG 3.32Å; L43-L47 WeakPolarHBondContact O-CG 3.41Å; L43-L47 PolarHBondContact O-N 3.11Å; R44-L47 PolarHBondContact O-N 2.86Å; L47-F50 PolarHBondContact O-N 3.35Å; L47-I51 WeakPolarHBondContact O-CB 3.27Å; L47-I51 WeakPolarHBondContact O-CD1 3.49Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 2.92Å; L47-L112 HydrophobicContact CD2-CD1 3.59Å; L47-L112 HydrophobicContact CG-CD1 3.82Å
48E92.9Very high90.2Very high61 Ų6159.8 Ų59.829%0.28531%0.314SS..Hα-helixtrans-63.3-47.6178.8-74.817218000110.9R5 L21 R44 Q45 F50 I51 E52R5-E48 IonicContact CZ-OE1 3.07Å; R5-E48 IonicContact NH1-OE1 2.95Å; R5-E48 PolarHBondContact NH1-OE1 2.74Å; R5-E48 VanDerWaalsContact NH2-CD 3.34Å; R5-E48 IonicContact NH2-OE1 2.86Å; R5-E48 PolarHBondContact NH2-OE1 3.43Å; L21-E48 HydrophobicContact CD1-CG 3.96Å; L21-E48 HydrophobicContact CD2-CG 3.79Å; R44-E48 HydrophobicContact CG-CG 4.33Å; R44-E48 VanDerWaalsContact CG-OE1 3.28Å; R44-E48 WeakPolarHBondContact CG-OE1 3.48Å; R44-E48 WeakPolarHBondContact O-CB 3.43Å; R44-E48 WeakPolarHBondContact O-CG 3.21Å; R44-E48 PolarHBondContact O-N 2.92Å; Q45-E48 PolarHBondContact O-N 3.07Å; E48-F50 VanDerWaalsContact C-N 3.33Å; E48-F50 PolarHBondContact O-N 3.33Å; E48-I51 PolarHBondContact O-N 3.47Å; E48-E52 WeakPolarHBondContact O-CB 3.46Å; E48-E52 PolarHBondContact O-N 3.33Å
49A92.3Very high89.8Confident41 Ų4162.4 Ų62.434%0.33933%0.332SS..Hα-helixtrans-60.4-41.1176.400000112.4Q45 Q53Q45-A49 VanDerWaalsContact O-CB 3.27Å; Q45-A49 WeakPolarHBondContact O-CB 3.31Å; Q45-A49 PolarHBondContact O-N 3.22Å; A49-Q53 WeakPolarHBondContact O-CB 3.31Å; A49-Q53 VanDerWaalsContact O-CG 3.22Å; A49-Q53 WeakPolarHBondContact O-CG 3.45Å; A49-Q53 PolarHBondContact O-N 2.94Å; A49-Q53 VanDerWaalsContact O-N 3.17Å
50F92.4Very high89Confident54 Ų5461.6 Ų61.624%0.23734%0.337CS..Hα-helixtrans-65.7-49176.9179.6-97.5000111.6E17 E46 L47 E48 E52 Q53 T54 Q108E17-F50 HydrophobicContact CB-CD1 4.43Å; E17-F50 HydrophobicContact CG-CD1 3.81Å; E17-F50 HydrophobicContact CG-CE1 3.79Å; E46-F50 VanDerWaalsContact O-CB 3.31Å; E46-F50 WeakPolarHBondContact O-CB 3.24Å; E46-F50 PolarHBondContact O-N 3.06Å; L47-F50 PolarHBondContact O-N 3.35Å; E48-F50 VanDerWaalsContact C-N 3.33Å; E48-F50 PolarHBondContact O-N 3.33Å; F50-E52 VanDerWaalsContact C-N 3.3Å; F50-E52 PolarHBondContact O-N 2.84Å; F50-Q53 PolarHBondContact O-N 3.46Å; F50-Q53 VanDerWaalsContact O-N 3.15Å; F50-T54 HydrophobicContact CD2-CG2 4.04Å; F50-T54 HydrophobicContact CE1-CG2 4.38Å; F50-T54 WeakPolarHBondContact CE1-OG1 3.37Å; F50-T54 HydrophobicContact CE2-CG2 3.66Å; F50-T54 HydrophobicContact CZ-CG2 3.86Å; F50-T54 PolarHBondContact O-N 2.98Å; F50-T54 PolarHBondContact O-OG1 3.03Å; F50-Q108 HydrophobicContact CD1-CB 4.11Å; F50-Q108 HydrophobicContact CD1-CG 3.96Å; F50-Q108 HydrophobicContact CD2-CB 4.46Å; F50-Q108 HydrophobicContact CD2-CG 3.71Å; F50-Q108 HydrophobicContact CE1-CB 3.62Å; F50-Q108 HydrophobicContact CE1-CG 3.89Å; F50-Q108 HydrophobicContact CE2-CB 3.99Å; F50-Q108 HydrophobicContact CE2-CG 3.62Å; F50-Q108 HydrophobicContact CG-CB 4.5Å; F50-Q108 HydrophobicContact CG-CG 3.86Å; F50-Q108 HydrophobicContact CZ-CB 3.54Å; F50-Q108 HydrophobicContact CZ-CG 3.71Å
51I92.5Very high88Confident7 Ų765.5 Ų65.54%0.03637%0.367CS..Hα-helixtrans-57.7-45.2-179.5-73.7166.3000110.6H11 E17 H18 L21 L47 E48 Q53 T54 T55H11-I51 WeakPolarHBondContact CE1-CG2 3.32Å; E17-I51 HydrophobicContact CB-CD1 4.06Å; E17-I51 HydrophobicContact CB-CG1 3.89Å; H18-I51 WeakPolarHBondContact NE2-CG2 3.38Å; L21-I51 HydrophobicContact CB-CD1 4.4Å; L21-I51 HydrophobicContact CD2-CD1 3.81Å; L47-I51 WeakPolarHBondContact O-CB 3.27Å; L47-I51 WeakPolarHBondContact O-CD1 3.49Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 2.92Å; E48-I51 PolarHBondContact O-N 3.47Å; I51-Q53 VanDerWaalsContact C-N 3.32Å; I51-Q53 PolarHBondContact O-N 3.04Å; I51-T54 PolarHBondContact O-N 2.85Å; I51-T55 WeakPolarHBondContact O-CB 3.42Å; I51-T55 PolarHBondContact O-N 3.16Å; I51-T55 PolarHBondContact O-OG1 3.03Å
52E88.5Confident86.7Confident158 Ų15864.6 Ų64.674%0.73836%0.356SS*.Hα-helixtrans-64.7-34.4179.6-170.5173-166.100112.6E48 F50E48-E52 WeakPolarHBondContact O-CB 3.46Å; E48-E52 PolarHBondContact O-N 3.33Å; F50-E52 VanDerWaalsContact C-N 3.3Å; F50-E52 PolarHBondContact O-N 2.84Å
53Q88.5Confident85.2Confident162 Ų16271.5 Ų71.576%0.75738%0.384SS*.Hα-helixtrans-79.8-31.3-180-73.1174.31600113.8A49 F50 I51A49-Q53 WeakPolarHBondContact O-CB 3.31Å; A49-Q53 VanDerWaalsContact O-CG 3.22Å; A49-Q53 WeakPolarHBondContact O-CG 3.45Å; A49-Q53 PolarHBondContact O-N 2.94Å; A49-Q53 VanDerWaalsContact O-N 3.17Å; F50-Q53 PolarHBondContact O-N 3.46Å; F50-Q53 VanDerWaalsContact O-N 3.15Å; I51-Q53 VanDerWaalsContact C-N 3.32Å; I51-Q53 PolarHBondContact O-N 3.04Å
54T86.7Confident84Confident74 Ų7481.1 Ų81.145%0.45443%0.429SS..Hα-helixtrans-110.6-18.6-169.762.30000114.8F50 I51 P56F50-T54 HydrophobicContact CD2-CG2 4.04Å; F50-T54 HydrophobicContact CE1-CG2 4.38Å; F50-T54 WeakPolarHBondContact CE1-OG1 3.37Å; F50-T54 HydrophobicContact CE2-CG2 3.66Å; F50-T54 HydrophobicContact CZ-CG2 3.86Å; F50-T54 PolarHBondContact O-N 2.98Å; F50-T54 PolarHBondContact O-OG1 3.03Å; I51-T54 PolarHBondContact O-N 2.85Å; T54-P56 WeakPolarHBondContact O-CD 3.25Å
55T88Confident82.7Confident11 Ų1183.1 Ų83.17%0.06744%0.437CS..SBendtrans-93.6118.2-172.6-43.90000110.5H11 F13 I51H11-T55 HydrophobicContact CB-CG2 3.73Å; F13-T55 WeakPolarHBondContact O-CG2 3.45Å; I51-T55 WeakPolarHBondContact O-CB 3.42Å; I51-T55 PolarHBondContact O-N 3.16Å; I51-T55 PolarHBondContact O-OG1 3.03Å
56P86.2Confident82.1Confident60 Ų6081.2 Ų81.239%0.3943%0.431SS..PPolyproline II helixtrans-64.4141176.823.5-29.6000111E12 F13 T54E12-P56 HydrophobicContact CB-CG 4.26Å; E12-P56 WeakPolarHBondContact CB-O 3.25Å; E12-P56 PolarHBondContact N-O 3.33Å; F13-P56 HydrophobicContact CD2-CG 3.87Å; F13-P56 HydrophobicContact CE2-CG 4.04Å; T54-P56 WeakPolarHBondContact O-CD 3.25Å
57V86.1Confident81.6Confident88 Ų8878.9 Ų78.953%0.53342%0.42SS..BIsolated β-bridgetrans-100.8134179.9-173.40000108.9R10R10-V57 HydrophobicContact CB-CG1 3.77Å; R10-V57 CarbonylContact O-C 3.58Å; R10-V57 WeakPolarHBondContact O-CA 3.43Å; R10-V57 WeakPolarHBondContact O-CG1 3.41Å
58L83Confident81.3Confident16 Ų1684.6 Ų84.68%0.08445%0.447CS..PPolyproline II helixtrans-62.6131.4176.7-72.8167.7000110.8R10 E12 R65R10-L58 PolarHBondContact O-N 3.11Å; E12-L58 HydrophobicContact CB-CD2 3.96Å; E12-L58 HydrophobicContact CB-CG 4Å; E12-L58 HydrophobicContact CG-CD2 3.83Å; E12-L58 HydrophobicContact CG-CG 4.4Å; L58-R65 WeakPolarHBondContact CD1-O 3.22Å; L58-R65 HydrophobicContact CD2-CB 4.24Å; L58-R65 HydrophobicContact CD2-CG 4.47Å
59P78Confident81.2Confident69 Ų6983.6 Ų83.645%0.44845%0.446SS..PPolyproline II helixtrans-58.6143.5176-21.531.7000111.6S61 E62P59-S61 PolarHBondContact O-N 3Å; P59-E62 PolarHBondContact O-N 3.47Å; P59-E62 VanDerWaalsContact O-N 3.09Å
60A72.7Confident81Confident73 Ų7383.4 Ų83.460%0.60344%0.44SS*.THydrogen-bonded Turntrans-62.5-16.9-178.100000114.7R10R10-A60 VanDerWaalsContact NH1-CA 3.33Å
61S70.1Confident80.7Confident108 Ų10886.9 Ų86.976%0.75546%0.461SS*.THydrogen-bonded Turntrans-78.3-14.7177.552.60000114.7P59P59-S61 PolarHBondContact O-N 3Å
62E63.5Low80.4Confident74 Ų7488.3 Ų88.335%0.34647%0.472SS..  trans-104.562.5-175.5-63.1-171.8167.200111.6P59 E64 R65P59-E62 PolarHBondContact O-N 3.47Å; P59-E62 VanDerWaalsContact O-N 3.09Å; E62-E64 PolarHBondContact O-N 3.32Å; E62-R65 HydrophobicContact CB-CB 4.15Å; E62-R65 PolarHBondContact O-N 3.16Å; E62-R65 VanDerWaalsContact O-N 3.17Å; E62-R65 IonicContact OE1-NH1 3.11Å; E62-R65 PolarHBondContact OE1-NH1 3.17Å; E62-R65 WeakPolarHBondContact OE2-CD 3.31Å; E62-R65 IonicContact OE2-CZ 2.65Å; E62-R65 IonicContact OE2-NE 3.34Å; E62-R65 IonicContact OE2-NH1 3.24Å; E62-R65 PolarHBondContact OE2-NH1 3.04Å
63E61Low80.5Confident171 Ų17181.4 Ų81.480%0.79944%0.439SS*.THydrogen-bonded Turntrans-61.4-26.1-176.8-69.1-168.3157.600114.2R65E63-R65 VanDerWaalsContact C-N 3.34Å
64E67Low80.5Confident201 Ų20177.9 Ų77.994%0.93942%0.423SS*.THydrogen-bonded Turntrans-81.3-11.8180-67.1-172.7164.200113.8E62 D66E62-E64 PolarHBondContact O-N 3.32Å; E64-D66 PolarHBondContact O-N 3.42Å
65R67.6Low80.7Confident135 Ų13579.6 Ų79.651%0.50942%0.421SS..PPolyproline II helixtrans-86.1117.2-174.7-134.5172.1-175.5-173-2.1110.3L58 E62 E63L58-R65 WeakPolarHBondContact CD1-O 3.22Å; L58-R65 HydrophobicContact CD2-CB 4.24Å; L58-R65 HydrophobicContact CD2-CG 4.47Å; E62-R65 HydrophobicContact CB-CB 4.15Å; E62-R65 PolarHBondContact O-N 3.16Å; E62-R65 VanDerWaalsContact O-N 3.17Å; E62-R65 IonicContact OE1-NH1 3.11Å; E62-R65 PolarHBondContact OE1-NH1 3.17Å; E62-R65 WeakPolarHBondContact OE2-CD 3.31Å; E62-R65 IonicContact OE2-CZ 2.65Å; E62-R65 IonicContact OE2-NE 3.34Å; E62-R65 IonicContact OE2-NH1 3.24Å; E62-R65 PolarHBondContact OE2-NH1 3.04Å; E63-R65 VanDerWaalsContact C-N 3.34Å
66D79.3Confident80.7Confident86 Ų8679.1 Ų79.146%0.4642%0.418SS..PPolyproline II helixtrans-92148.9-177.2-159.42.8000111.8R7 E64 Q68R7-D66 IonicContact CZ-OD1 3.46Å; R7-D66 IonicContact CZ-OD2 2.78Å; R7-D66 IonicContact NE-OD1 3.91Å; R7-D66 PolarHBondContact NE-OD1 2.93Å; R7-D66 IonicContact NE-OD2 2.83Å; R7-D66 IonicContact NH2-OD1 3.83Å; R7-D66 PolarHBondContact NH2-OD1 2.78Å; R7-D66 IonicContact NH2-OD2 3.61Å; R7-D66 PolarHBondContact NH2-OD2 2.85Å; E64-D66 PolarHBondContact O-N 3.42Å; D66-Q68 PolarHBondContact O-N 3.41Å
67T83.9Confident80.9Confident8 Ų879.4 Ų79.45%0.04942%0.416CS..PPolyproline II helixtrans-61.2126.8177-60.90000110.7A6 H11 M14A6-T67 HydrophobicContact CB-CG2 3.97Å; H11-T67 WeakPolarHBondContact O-CB 3.45Å; H11-T67 WeakPolarHBondContact O-CG2 3.08Å; H11-T67 PolarHBondContact O-OG1 3.43Å; M14-T67 HydrophobicContact CB-CG2 4.02Å
68Q87.1Confident80.7Confident119 Ų11981.6 Ų81.656%0.55642%0.42SS*.EExtended strand (participates in β ladder)trans-103.2135.8-176.7-62.1-165.6-3.100112.8E12 F13 M14 D66E12-Q68 PolarHBondContact O-N 2.75Å; F13-Q68 CarbonylContact C-O 3.5Å; F13-Q68 VanDerWaalsContact CA-O 3.26Å; F13-Q68 WeakPolarHBondContact CA-O 3.34Å; F13-Q68 HydrophobicContact CD1-CB 4.38Å; M14-Q68 PolarHBondContact N-O 3.41Å; D66-Q68 PolarHBondContact O-N 3.41Å
69P90.3Very high80.8Confident41 Ų4186 Ų8627%0.26644%0.436SS..EExtended strand (participates in β ladder)trans-71.5140.6173.730-33.9000111.4F3 M14 F73 Q74F3-P69 HydrophobicContact CZ-CB 4.43Å; F3-P69 HydrophobicContact CZ-CG 4.36Å; M14-P69 HydrophobicContact CE-CB 3.9Å; P69-F73 HydrophobicContact CB-CD1 3.76Å; P69-F73 HydrophobicContact CB-CE1 4.3Å; P69-F73 HydrophobicContact CB-CG 4.41Å; P69-Q74 HydrophobicContact CB-CG 4.3Å; P69-Q74 HydrophobicContact CG-CG 4.4Å
70T89Confident81Confident36 Ų3682.8 Ų82.822%0.22142%0.415CS..PPolyproline II helixtrans-73.3159.2172.566.20000111.9F13 M14 T15 S72 F73 Q74F13-T70 HydrophobicContact CB-CG2 4.01Å; M14-T70 PolarHBondContact O-N 3.28Å; T15-T70 HydrophobicContact CG2-CG2 3.99Å; T70-S72 VanDerWaalsContact C-N 3.27Å; T70-S72 PolarHBondContact O-N 3.4Å; T70-F73 WeakPolarHBondContact O-CB 3.49Å; T70-F73 PolarHBondContact O-N 2.84Å; T70-F73 VanDerWaalsContact O-N 3.16Å; T70-F73 PolarHBondContact OG1-N 3.07Å; T70-Q74 PolarHBondContact O-N 3.4Å; T70-Q74 VanDerWaalsContact O-N 3.1Å
71L86.9Confident81.4Confident127 Ų12782.4 Ų82.467%0.66541%0.405SS*.Hα-helixtrans-58.2-40.5175.2-68.3174.9000111.8F73 Q74 R75L71-F73 VanDerWaalsContact C-N 3.34Å; L71-F73 PolarHBondContact O-N 3.48Å; L71-Q74 PolarHBondContact O-N 3.46Å; L71-R75 WeakPolarHBondContact O-CG 3.42Å; L71-R75 PolarHBondContact O-N 3.45Å
72S85.8Confident81.5Confident38 Ų3884.2 Ų84.227%0.26640%0.4SS..Hα-helixtrans-63.3-40.1177.6-52.70000111.7T70 Q74 R75 V76T70-S72 VanDerWaalsContact C-N 3.27Å; T70-S72 PolarHBondContact O-N 3.4Å; S72-Q74 PolarHBondContact O-N 3.41Å; S72-R75 PolarHBondContact O-N 3.01Å; S72-R75 PolarHBondContact OG-NH2 3.47Å; S72-V76 WeakPolarHBondContact O-CG2 3.28Å; S72-V76 PolarHBondContact O-N 3.28Å; S72-V76 VanDerWaalsContact O-N 3.08Å
73F90.7Very high81.9Confident13 Ų1384.4 Ų84.46%0.05740%0.4CS..Hα-helixtrans-58.7-47.9173.5176.8-83.6000111.5M14 T15 L19 P69 T70 L71 R75 V76 L77M14-F73 HydrophobicContact CE-CD1 3.83Å; M14-F73 HydrophobicContact CE-CD2 4.06Å; M14-F73 HydrophobicContact CE-CE1 3.31Å; M14-F73 HydrophobicContact CE-CE2 3.54Å; M14-F73 HydrophobicContact CE-CG 4.19Å; M14-F73 HydrophobicContact CE-CZ 3.17Å; M14-F73 HydrophobicContact CG-CD2 4.27Å; M14-F73 HydrophobicContact CG-CE2 4.1Å; M14-F73 HydrophobicContact SD-CE2 3.88Å; M14-F73 HydrophobicContact SD-CZ 3.93Å; T15-F73 WeakPolarHBondContact O-CD2 3.43Å; L19-F73 HydrophobicContact CB-CD2 3.89Å; L19-F73 HydrophobicContact CB-CE2 3.71Å; L19-F73 HydrophobicContact CD1-CE2 3.8Å; L19-F73 HydrophobicContact CD1-CZ 4.25Å; L19-F73 HydrophobicContact CD2-CD2 4.11Å; L19-F73 HydrophobicContact CD2-CE2 4.01Å; L19-F73 HydrophobicContact CG-CD2 4.45Å; L19-F73 HydrophobicContact CG-CE2 4.04Å; P69-F73 HydrophobicContact CB-CD1 3.76Å; P69-F73 HydrophobicContact CB-CE1 4.3Å; P69-F73 HydrophobicContact CB-CG 4.41Å; T70-F73 WeakPolarHBondContact O-CB 3.49Å; T70-F73 PolarHBondContact O-N 2.84Å; T70-F73 VanDerWaalsContact O-N 3.16Å; T70-F73 PolarHBondContact OG1-N 3.07Å; L71-F73 VanDerWaalsContact C-N 3.34Å; L71-F73 PolarHBondContact O-N 3.48Å; F73-R75 PolarHBondContact O-N 3.44Å; F73-V76 PolarHBondContact O-N 3.3Å; F73-L77 HydrophobicContact CD1-CD1 4.11Å; F73-L77 HydrophobicContact CE1-CD1 3.36Å; F73-L77 HydrophobicContact CE1-CG 4.22Å; F73-L77 HydrophobicContact CZ-CD1 3.8Å; F73-L77 HydrophobicContact CZ-CG 4.5Å; F73-L77 PolarHBondContact O-N 3.02Å
74Q88.6Confident82.4Confident88 Ų8876.4 Ų76.441%0.41136%0.363SS..Hα-helixtrans-63.5-42.3179-68.9-176.3-12.500112.2P69 T70 L71 S72 V76 L77 Q78P69-Q74 HydrophobicContact CB-CG 4.3Å; P69-Q74 HydrophobicContact CG-CG 4.4Å; T70-Q74 PolarHBondContact O-N 3.4Å; T70-Q74 VanDerWaalsContact O-N 3.1Å; L71-Q74 PolarHBondContact O-N 3.46Å; S72-Q74 PolarHBondContact O-N 3.41Å; Q74-V76 VanDerWaalsContact C-N 3.32Å; Q74-V76 PolarHBondContact O-N 3.47Å; Q74-L77 PolarHBondContact O-N 3.09Å; Q74-Q78 WeakPolarHBondContact O-CG 3.34Å; Q74-Q78 PolarHBondContact O-N 2.93Å
75R89.8Confident82.6Confident110 Ų11073.1 Ų73.142%0.41535%0.348SS..Hα-helixtrans-59.8-40.3176.7-74-165.5-56.7-1301.1112.4L71 S72 F73 Q78 R79 E104L71-R75 WeakPolarHBondContact O-CG 3.42Å; L71-R75 PolarHBondContact O-N 3.45Å; S72-R75 PolarHBondContact O-N 3.01Å; S72-R75 PolarHBondContact OG-NH2 3.47Å; F73-R75 PolarHBondContact O-N 3.44Å; R75-Q78 PolarHBondContact O-N 3.21Å; R75-R79 VanDerWaalsContact O-CB 3.28Å; R75-R79 WeakPolarHBondContact O-CB 3.49Å; R75-R79 VanDerWaalsContact O-CG 3.23Å; R75-R79 WeakPolarHBondContact O-CG 3.18Å; R75-R79 PolarHBondContact O-N 2.79Å; R75-E104 IonicContact CZ-OE1 2.71Å; R75-E104 IonicContact CZ-OE2 3.74Å; R75-E104 IonicContact NE-OE1 3.67Å; R75-E104 PolarHBondContact NE-OE1 3.47Å; R75-E104 IonicContact NE-OE2 2.64Å; R75-E104 IonicContact NH2-OE1 3.51Å; R75-E104 IonicContact NH2-OE2 3.08Å; R75-E104 PolarHBondContact NH2-OE2 2.9Å
76V89.3Confident82.6Confident0 Ų070.3 Ų70.30%035%0.349CS..Hα-helixtrans-61.4-46.3177.71700000110.8V16 L19 S72 F73 Q74 R79 A80 V97 A100 I101 E104V16-V76 HydrophobicContact CG1-CG2 4.32Å; V16-V76 HydrophobicContact CG2-CG2 4.37Å; L19-V76 HydrophobicContact CD2-CB 4.27Å; L19-V76 HydrophobicContact CD2-CG1 3.68Å; S72-V76 WeakPolarHBondContact O-CG2 3.28Å; S72-V76 PolarHBondContact O-N 3.28Å; S72-V76 VanDerWaalsContact O-N 3.08Å; F73-V76 PolarHBondContact O-N 3.3Å; Q74-V76 VanDerWaalsContact C-N 3.32Å; Q74-V76 PolarHBondContact O-N 3.47Å; V76-R79 PolarHBondContact O-N 3.16Å; V76-A80 PolarHBondContact O-N 3.24Å; V76-V97 HydrophobicContact CG1-CG1 4.04Å; V76-A100 HydrophobicContact CG1-CB 3.88Å; V76-A100 WeakPolarHBondContact O-CB 3.28Å; V76-I101 HydrophobicContact CG1-CG1 3.8Å; V76-E104 HydrophobicContact CG2-CG 3.47Å; V76-E104 VanDerWaalsContact CG2-CG 3.47Å
77L88.6Confident81.9Confident66 Ų6669 Ų6935%0.34635%0.347SS..Hα-helixtrans-65.3-46.4178.2-68.3179.4000112.2L19 F73 Q74 R79 A80 V81 V97L19-L77 HydrophobicContact CD2-CD2 4.4Å; F73-L77 HydrophobicContact CD1-CD1 4.11Å; F73-L77 HydrophobicContact CE1-CD1 3.36Å; F73-L77 HydrophobicContact CE1-CG 4.22Å; F73-L77 HydrophobicContact CZ-CD1 3.8Å; F73-L77 HydrophobicContact CZ-CG 4.5Å; F73-L77 PolarHBondContact O-N 3.02Å; Q74-L77 PolarHBondContact O-N 3.09Å; L77-R79 VanDerWaalsContact C-N 3.29Å; L77-R79 PolarHBondContact O-N 2.95Å; L77-A80 PolarHBondContact O-N 3.2Å; L77-V81 WeakPolarHBondContact O-CG2 3.49Å; L77-V81 PolarHBondContact O-N 3.05Å; L77-V97 HydrophobicContact CD2-CG1 4.19Å; L77-V97 HydrophobicContact CD2-CG2 4.41Å
78Q83.7Confident81.1Confident135 Ų13571.8 Ų71.863%0.63138%0.377SS*.Hα-helixtrans-59.5-41.4177.2-74.7-179.3-12.200111.7Q74 R75 V81 F82Q74-Q78 WeakPolarHBondContact O-CG 3.34Å; Q74-Q78 PolarHBondContact O-N 2.93Å; R75-Q78 PolarHBondContact O-N 3.21Å; Q78-V81 PolarHBondContact O-N 3.45Å; Q78-F82 WeakPolarHBondContact O-CB 3.45Å; Q78-F82 PolarHBondContact O-N 3.26Å
79R83.3Confident80.3Confident108 Ų10873.3 Ų73.341%0.40838%0.377SS..Hα-helixtrans-64.4-40.7175.9-78.2171.1166.7174.2-7112.3R75 V76 L77 F82 H83 A100 S103 E104R75-R79 VanDerWaalsContact O-CB 3.28Å; R75-R79 WeakPolarHBondContact O-CB 3.49Å; R75-R79 VanDerWaalsContact O-CG 3.23Å; R75-R79 WeakPolarHBondContact O-CG 3.18Å; R75-R79 PolarHBondContact O-N 2.79Å; V76-R79 PolarHBondContact O-N 3.16Å; L77-R79 VanDerWaalsContact C-N 3.29Å; L77-R79 PolarHBondContact O-N 2.95Å; R79-F82 PolarHBondContact O-N 3.15Å; R79-H83 VanDerWaalsContact O-CB 3.28Å; R79-H83 WeakPolarHBondContact O-CB 3.36Å; R79-H83 PolarHBondContact O-N 3.15Å; R79-A100 HydrophobicContact CB-CB 4.24Å; R79-S103 PolarHBondContact NH1-O 3.35Å; R79-E104 IonicContact CZ-OE1 3.74Å; R79-E104 IonicContact NH1-OE1 3.28Å; R79-E104 PolarHBondContact NH1-OE1 3.39Å
80A83.8Confident79.6Confident1 Ų179.3 Ų79.31%0.00841%0.407CS..Hα-helixtrans-62.5-43.5176.100000111.4V76 L77 V84 V92 V97 A100V76-A80 PolarHBondContact O-N 3.24Å; L77-A80 PolarHBondContact O-N 3.2Å; A80-V84 VanDerWaalsContact O-CG2 3.27Å; A80-V84 WeakPolarHBondContact O-CG2 3.35Å; A80-V84 PolarHBondContact O-N 2.7Å; A80-V84 VanDerWaalsContact O-N 3.16Å; A80-V92 HydrophobicContact CB-CG1 3.95Å; A80-V97 HydrophobicContact CB-CG2 4.08Å; A80-A100 HydrophobicContact CB-CB 3.98Å
81V79.4Confident79.1Confident65 Ų6585 Ų8539%0.39443%0.431SS..Hα-helixtrans-62-50175.5174.90000111L77 Q78 H83 V84 Q85 V92L77-V81 WeakPolarHBondContact O-CG2 3.49Å; L77-V81 PolarHBondContact O-N 3.05Å; Q78-V81 PolarHBondContact O-N 3.45Å; V81-H83 VanDerWaalsContact C-N 3.31Å; V81-H83 PolarHBondContact O-N 3.04Å; V81-V84 PolarHBondContact O-N 3.42Å; V81-Q85 HydrophobicContact CG1-CG 4.42Å; V81-Q85 WeakPolarHBondContact O-CG 3.43Å; V81-Q85 PolarHBondContact O-N 3.03Å; V81-V92 HydrophobicContact CB-CG2 4.46Å; V81-V92 HydrophobicContact CG2-CG2 4.06Å
82F73.4Confident78.9Confident147 Ų14782 Ų8265%0.64542%0.418SS*.Hα-helixtrans-62.6-39.6-178.5-164.1-92.7000112Q78 R79 V84 Q85 S86Q78-F82 WeakPolarHBondContact O-CB 3.45Å; Q78-F82 PolarHBondContact O-N 3.26Å; R79-F82 PolarHBondContact O-N 3.15Å; F82-V84 PolarHBondContact O-N 2.72Å; F82-Q85 PolarHBondContact O-N 3.27Å; F82-S86 WeakPolarHBondContact O-CB 3.45Å; F82-S86 PolarHBondContact O-N 3.06Å; F82-S86 PolarHBondContact O-OG 2.95Å
83H70.8Confident79Confident77 Ų7783 Ų8336%0.35642%0.423SS..Hα-helixtrans-62.5-43.8177.3-172.951.5000111.9R79 V81 S86 S87R79-H83 VanDerWaalsContact O-CB 3.28Å; R79-H83 WeakPolarHBondContact O-CB 3.36Å; R79-H83 PolarHBondContact O-N 3.15Å; V81-H83 VanDerWaalsContact C-N 3.31Å; V81-H83 PolarHBondContact O-N 3.04Å; H83-S86 WeakPolarHBondContact CA-OG 3.5Å; H83-S86 PolarHBondContact O-N 3.38Å; H83-S86 PolarHBondContact O-OG 3.14Å; H83-S87 PolarHBondContact O-N 3.26Å; H83-S87 VanDerWaalsContact O-N 3.15Å; H83-S87 PolarHBondContact O-OG 3.35Å
84V72.2Confident78.8Confident3 Ų382.8 Ų82.82%0.01842%0.423CS..Hα-helixtrans-66.7-44.4179168.90000111.4A80 V81 F82 S86 S87 G88 R89 E91 V92 N96A80-V84 VanDerWaalsContact O-CG2 3.27Å; A80-V84 WeakPolarHBondContact O-CG2 3.35Å; A80-V84 PolarHBondContact O-N 2.7Å; A80-V84 VanDerWaalsContact O-N 3.16Å; V81-V84 PolarHBondContact O-N 3.42Å; F82-V84 PolarHBondContact O-N 2.72Å; V84-S86 VanDerWaalsContact C-N 3.33Å; V84-S86 PolarHBondContact O-N 3.31Å; V84-S87 WeakPolarHBondContact CA-OG 3.29Å; V84-S87 PolarHBondContact O-N 2.97Å; V84-S87 PolarHBondContact O-OG 3.44Å; V84-G88 PolarHBondContact O-N 3.16Å; V84-R89 CarbonylContact C-O 3.57Å; V84-R89 HydrophobicContact CG1-CB 3.92Å; V84-R89 VanDerWaalsContact CG1-O 3.23Å; V84-R89 WeakPolarHBondContact CG1-O 3.48Å; V84-R89 PolarHBondContact O-N 3.35Å; V84-E91 WeakPolarHBondContact CG1-O 3.46Å; V84-V92 HydrophobicContact CB-CG2 3.97Å; V84-V92 HydrophobicContact CG1-CG2 4.03Å; V84-V92 HydrophobicContact CG2-CB 4.38Å; V84-V92 HydrophobicContact CG2-CG1 4.31Å; V84-V92 HydrophobicContact CG2-CG2 4Å; V84-N96 HydrophobicContact CG2-CB 3.93Å; V84-N96 WeakPolarHBondContact CG2-ND2 3.3Å
85Q71.5Confident78.7Confident132 Ų13278.9 Ų78.962%0.61741%0.406SS*.Hα-helixtrans-60.4-41.8174.5-74-177.9-30.600112.1V81 F82 S87 G88V81-Q85 HydrophobicContact CG1-CG 4.42Å; V81-Q85 WeakPolarHBondContact O-CG 3.43Å; V81-Q85 PolarHBondContact O-N 3.03Å; F82-Q85 PolarHBondContact O-N 3.27Å; Q85-S87 PolarHBondContact O-N 3.35Å; Q85-G88 PolarHBondContact O-N 3.49Å; Q85-G88 VanDerWaalsContact O-N 3.1Å
86S67Low78.6Confident76 Ų7674.2 Ų74.253%0.53139%0.39SS..Hα-helixtrans-66.5-21176.768.80000113.6F82 H83 V84F82-S86 WeakPolarHBondContact O-CB 3.45Å; F82-S86 PolarHBondContact O-N 3.06Å; F82-S86 PolarHBondContact O-OG 2.95Å; H83-S86 WeakPolarHBondContact CA-OG 3.5Å; H83-S86 PolarHBondContact O-N 3.38Å; H83-S86 PolarHBondContact O-OG 3.14Å; V84-S86 VanDerWaalsContact C-N 3.33Å; V84-S86 PolarHBondContact O-N 3.31Å
87S64.6Low78.7Confident60 Ų6074.8 Ų74.842%0.4239%0.393SS..THydrogen-bonded Turntrans-91.34.8175.269.20000113.9H83 V84 Q85 R89H83-S87 PolarHBondContact O-N 3.26Å; H83-S87 VanDerWaalsContact O-N 3.15Å; H83-S87 PolarHBondContact O-OG 3.35Å; V84-S87 WeakPolarHBondContact CA-OG 3.29Å; V84-S87 PolarHBondContact O-N 2.97Å; V84-S87 PolarHBondContact O-OG 3.44Å; Q85-S87 PolarHBondContact O-N 3.35Å; S87-R89 PolarHBondContact O-N 2.98Å
88G66.3Low78.9Confident66 Ų6671.7 Ų71.768%0.6838%0.377SS*.THydrogen-bonded Turntrans70.79.7-178.800000114.8V84 Q85V84-G88 PolarHBondContact O-N 3.16Å; Q85-G88 PolarHBondContact O-N 3.49Å; Q85-G88 VanDerWaalsContact O-N 3.1Å
89R71.1Confident79Confident151 Ų15165.4 Ų65.457%0.5735%0.348SS*.  trans-92.4147.8175.7-66.5-174.9-175.9-175.53.4109.9V84 S87V84-R89 CarbonylContact C-O 3.57Å; V84-R89 HydrophobicContact CG1-CB 3.92Å; V84-R89 VanDerWaalsContact CG1-O 3.23Å; V84-R89 WeakPolarHBondContact CG1-O 3.48Å; V84-R89 PolarHBondContact O-N 3.35Å; S87-R89 PolarHBondContact O-N 2.98Å
90N75.7Confident79.3Confident166 Ų16660.4 Ų60.489%0.88833%0.33SS*.SBendtrans-99.5-10.7-177.1-67.3-18.2000113.8
91E78.6Confident79.6Confident157 Ų15760.4 Ų60.473%0.73433%0.329SS*.  trans-119.2127.1-174.8-67.8-171.7172.700112.6V84V84-E91 WeakPolarHBondContact CG1-O 3.46Å
92V83.3Confident80Confident63 Ų6357.8 Ų57.838%0.38231%0.313SS..  trans-92.5109.5176.4-173.20000109.4A80 V81 V84 N96 V97A80-V92 HydrophobicContact CB-CG1 3.95Å; V81-V92 HydrophobicContact CB-CG2 4.46Å; V81-V92 HydrophobicContact CG2-CG2 4.06Å; V84-V92 HydrophobicContact CB-CG2 3.97Å; V84-V92 HydrophobicContact CG1-CG2 4.03Å; V84-V92 HydrophobicContact CG2-CB 4.38Å; V84-V92 HydrophobicContact CG2-CG1 4.31Å; V84-V92 HydrophobicContact CG2-CG2 4Å; V92-N96 HydrophobicContact CG1-CB 4.06Å; V92-V97 HydrophobicContact CG1-CG2 4.17Å
93T86.9Confident80.4Confident60 Ų6052.7 Ų52.737%0.36830%0.295SS..  trans-84.8167175.367.40000111.7A95 N96 V97T93-A95 VanDerWaalsContact C-N 3.25Å; T93-A95 PolarHBondContact O-N 2.89Å; T93-N96 PolarHBondContact N-ND2 3.02Å; T93-N96 WeakPolarHBondContact O-CB 3.14Å; T93-N96 PolarHBondContact O-N 3.49Å; T93-N96 VanDerWaalsContact O-N 3.16Å; T93-N96 PolarHBondContact OG1-ND2 2.87Å; T93-V97 PolarHBondContact O-N 2.93Å
94G87.5Confident81.1Confident7 Ų749.8 Ų49.87%0.07228%0.282CS..Hα-helixtrans-62.8-32.3176.200000112.9S28 N96 V97 L98S28-G94 WeakPolarHBondContact OG-CA 3.46Å; S28-G94 PolarHBondContact OG-N 2.98Å; G94-N96 VanDerWaalsContact C-N 3.3Å; G94-N96 PolarHBondContact O-N 3.33Å; G94-V97 PolarHBondContact O-N 2.92Å; G94-L98 PolarHBondContact O-N 2.93Å
95A86.6Confident81.5Confident6 Ų655.4 Ų55.45%0.0531%0.308CS..Hα-helixtrans-61.4-38.1174.300000112S28 T93 V97 L98 V99 I127S28-A95 PolarHBondContact OG-N 3.29Å; T93-A95 VanDerWaalsContact C-N 3.25Å; T93-A95 PolarHBondContact O-N 2.89Å; A95-V97 VanDerWaalsContact C-N 3.32Å; A95-V97 PolarHBondContact O-N 3.16Å; A95-L98 WeakPolarHBondContact O-CB 3.27Å; A95-L98 PolarHBondContact O-N 3.24Å; A95-V99 WeakPolarHBondContact O-CG2 3.42Å; A95-V99 PolarHBondContact O-N 3.37Å; A95-I127 HydrophobicContact CB-CD1 3.72Å; A95-I127 HydrophobicContact CB-CG1 3.79Å
96N88Confident82Confident12 Ų1258.9 Ų58.96%0.06432%0.324CS..Hα-helixtrans-65.1-38175.6-62-30.6000111.9V84 V92 T93 G94 V99 A100V84-N96 HydrophobicContact CG2-CB 3.93Å; V84-N96 WeakPolarHBondContact CG2-ND2 3.3Å; V92-N96 HydrophobicContact CG1-CB 4.06Å; T93-N96 PolarHBondContact N-ND2 3.02Å; T93-N96 WeakPolarHBondContact O-CB 3.14Å; T93-N96 PolarHBondContact O-N 3.49Å; T93-N96 VanDerWaalsContact O-N 3.16Å; T93-N96 PolarHBondContact OG1-ND2 2.87Å; G94-N96 VanDerWaalsContact C-N 3.3Å; G94-N96 PolarHBondContact O-N 3.33Å; N96-V99 PolarHBondContact O-N 3.39Å; N96-A100 PolarHBondContact O-N 3.19Å; N96-A100 VanDerWaalsContact O-N 3.14Å
97V91.5Very high83.1Confident13 Ų1356 Ų568%0.07930%0.304CS..Hα-helixtrans-66.4-40.4174.5-173.80000110.6L19 L23 V76 L77 A80 V92 T93 G94 A95 V99 A100 I101L19-V97 HydrophobicContact CD1-CG1 4.18Å; L19-V97 HydrophobicContact CD2-CG1 3.7Å; L19-V97 HydrophobicContact CG-CG1 4.05Å; L23-V97 HydrophobicContact CD1-CB 4.18Å; L23-V97 HydrophobicContact CD1-CG1 3.95Å; L23-V97 HydrophobicContact CD2-CB 4.26Å; L23-V97 HydrophobicContact CD2-CG1 4.5Å; V76-V97 HydrophobicContact CG1-CG1 4.04Å; L77-V97 HydrophobicContact CD2-CG1 4.19Å; L77-V97 HydrophobicContact CD2-CG2 4.41Å; A80-V97 HydrophobicContact CB-CG2 4.08Å; V92-V97 HydrophobicContact CG1-CG2 4.17Å; T93-V97 PolarHBondContact O-N 2.93Å; G94-V97 PolarHBondContact O-N 2.92Å; A95-V97 VanDerWaalsContact C-N 3.32Å; A95-V97 PolarHBondContact O-N 3.16Å; V97-V99 VanDerWaalsContact C-N 3.33Å; V97-V99 PolarHBondContact O-N 2.97Å; V97-A100 WeakPolarHBondContact O-CB 3.41Å; V97-A100 PolarHBondContact O-N 3.05Å; V97-A100 VanDerWaalsContact O-N 3.09Å; V97-I101 WeakPolarHBondContact O-CG1 3.43Å; V97-I101 PolarHBondContact O-N 2.65Å; V97-I101 VanDerWaalsContact O-N 3.1Å
98L91.5Very high84.3Confident0 Ų056 Ų560%030%0.297CS..Hα-helixtrans-59.2-42.8175.3-17664.8000111.8L20 L23 A32 L33 G94 A95 A100 I101 F102 L113 V123L20-L98 HydrophobicContact CD1-CD1 3.65Å; L23-L98 HydrophobicContact CD1-CB 4.34Å; A32-L98 HydrophobicContact CB-CD2 4.34Å; L33-L98 HydrophobicContact CD1-CD2 4.32Å; L33-L98 HydrophobicContact CD2-CD1 4.29Å; L33-L98 HydrophobicContact CD2-CD2 3.82Å; L33-L98 HydrophobicContact CG-CD2 3.72Å; G94-L98 PolarHBondContact O-N 2.93Å; A95-L98 WeakPolarHBondContact O-CB 3.27Å; A95-L98 PolarHBondContact O-N 3.24Å; L98-A100 VanDerWaalsContact C-N 3.3Å; L98-A100 PolarHBondContact O-N 3.2Å; L98-I101 PolarHBondContact O-N 3.36Å; L98-F102 WeakPolarHBondContact O-CD2 3.45Å; L98-L113 HydrophobicContact CD1-CD1 3.98Å; L98-L113 HydrophobicContact CD1-CD2 4.24Å; L98-V123 HydrophobicContact CD2-CG1 3.84Å; L98-V123 HydrophobicContact CD2-CG2 4.11Å; L98-V123 HydrophobicContact CG-CG1 4.19Å
99V86Confident85.6Confident3 Ų352.9 Ų52.92%0.01827%0.265CS..Hα-helixtrans-60.7-39.9173.8174.10000111.7A95 N96 V97 I101 F102 R120 V123 V124 I127A95-V99 WeakPolarHBondContact O-CG2 3.42Å; A95-V99 PolarHBondContact O-N 3.37Å; N96-V99 PolarHBondContact O-N 3.39Å; V97-V99 VanDerWaalsContact C-N 3.33Å; V97-V99 PolarHBondContact O-N 2.97Å; V99-I101 VanDerWaalsContact C-N 3.34Å; V99-I101 PolarHBondContact O-N 2.92Å; V99-F102 PolarHBondContact O-N 3.36Å; V99-R120 HydrophobicContact CG1-CG 4.21Å; V99-R120 PolarHBondContact O-NH1 3.44Å; V99-V123 HydrophobicContact CG2-CB 4.22Å; V99-V123 HydrophobicContact CG2-CG1 3.61Å; V99-V124 HydrophobicContact CB-CG2 4.46Å; V99-V124 HydrophobicContact CG1-CG2 3.7Å; V99-V124 HydrophobicContact CG2-CG2 3.8Å; V99-I127 HydrophobicContact CG2-CD1 3.47Å; V99-I127 VanDerWaalsContact CG2-CD1 3.47Å
100A89.4Confident86.4Confident4 Ų445.7 Ų45.73%0.03324%0.238CC..Hα-helixtrans-68.5-29.7-179.200000113.3V76 R79 A80 N96 V97 L98 F102 S103V76-A100 HydrophobicContact CG1-CB 3.88Å; V76-A100 WeakPolarHBondContact O-CB 3.28Å; R79-A100 HydrophobicContact CB-CB 4.24Å; A80-A100 HydrophobicContact CB-CB 3.98Å; N96-A100 PolarHBondContact O-N 3.19Å; N96-A100 VanDerWaalsContact O-N 3.14Å; V97-A100 WeakPolarHBondContact O-CB 3.41Å; V97-A100 PolarHBondContact O-N 3.05Å; V97-A100 VanDerWaalsContact O-N 3.09Å; L98-A100 VanDerWaalsContact C-N 3.3Å; L98-A100 PolarHBondContact O-N 3.2Å; A100-F102 VanDerWaalsContact C-N 3.27Å; A100-F102 PolarHBondContact O-N 3.05Å; A100-S103 VanDerWaalsContact O-CB 3.31Å; A100-S103 WeakPolarHBondContact O-CB 3.14Å; A100-S103 PolarHBondContact O-N 3.11Å; A100-S103 VanDerWaalsContact O-N 3.08Å; A100-S103 PolarHBondContact O-OG 2.89Å
101I90.5Very high87.2Confident0 Ų044 Ų440%022%0.22CC..Hα-helixtrans-57.9-39176.4-70.7172.8000111.5V16 L20 L23 V76 V97 L98 V99 S103 E104 A109 L113V16-I101 HydrophobicContact CG1-CB 4.5Å; V16-I101 HydrophobicContact CG1-CG1 4.03Å; V16-I101 HydrophobicContact CG1-CG2 3.98Å; L20-I101 HydrophobicContact CB-CD1 4.06Å; L20-I101 HydrophobicContact CD1-CD1 4.08Å; L23-I101 HydrophobicContact CD1-CD1 3.62Å; V76-I101 HydrophobicContact CG1-CG1 3.8Å; V97-I101 WeakPolarHBondContact O-CG1 3.43Å; V97-I101 PolarHBondContact O-N 2.65Å; V97-I101 VanDerWaalsContact O-N 3.1Å; L98-I101 PolarHBondContact O-N 3.36Å; V99-I101 VanDerWaalsContact C-N 3.34Å; V99-I101 PolarHBondContact O-N 2.92Å; I101-S103 PolarHBondContact O-N 3.46Å; I101-E104 PolarHBondContact O-N 2.86Å; I101-A109 HydrophobicContact CG2-CB 3.89Å; I101-L113 HydrophobicContact CG2-CD1 3.99Å
102F87.3Confident87.8Confident11 Ų1136.8 Ų36.85%0.04819%0.187CC..THydrogen-bonded Turntrans-61.2-16.5178.6-75-79000114.4L98 V99 A100 E104 L113 V118 R120 V123L98-F102 WeakPolarHBondContact O-CD2 3.45Å; V99-F102 PolarHBondContact O-N 3.36Å; A100-F102 VanDerWaalsContact C-N 3.27Å; A100-F102 PolarHBondContact O-N 3.05Å; F102-E104 VanDerWaalsContact C-N 3.32Å; F102-L113 HydrophobicContact CE1-CB 3.85Å; F102-L113 HydrophobicContact CE1-CD1 4.25Å; F102-L113 HydrophobicContact CE2-CD1 3.97Å; F102-L113 HydrophobicContact CZ-CB 3.8Å; F102-L113 HydrophobicContact CZ-CD1 3.81Å; F102-L113 HydrophobicContact CZ-CG 4.3Å; F102-V118 VanDerWaalsContact CE1-O 3.28Å; F102-V118 WeakPolarHBondContact CE1-O 3.19Å; F102-V118 HydrophobicContact CE2-CG1 4.42Å; F102-V118 HydrophobicContact CZ-CB 4.18Å; F102-V118 HydrophobicContact CZ-CG1 3.8Å; F102-V118 WeakPolarHBondContact CZ-O 3.44Å; F102-R120 HydrophobicContact CB-CB 3.84Å; F102-R120 HydrophobicContact CB-CG 3.96Å; F102-R120 HydrophobicContact CD1-CB 4.13Å; F102-R120 HydrophobicContact CD2-CB 3.91Å; F102-R120 HydrophobicContact CD2-CG 4.15Å; F102-R120 HydrophobicContact CE2-CB 4.49Å; F102-R120 HydrophobicContact CG-CB 3.7Å; F102-R120 HydrophobicContact CG-CG 4.16Å; F102-V123 HydrophobicContact CE2-CG2 4.06Å
103S82.1Confident88.2Confident39 Ų3933.8 Ų33.827%0.27317%0.168SC..THydrogen-bonded Turntrans-76.8-18.4174.7-56.90000113R79 A100 I101 Q105 R120R79-S103 PolarHBondContact NH1-O 3.35Å; A100-S103 VanDerWaalsContact O-CB 3.31Å; A100-S103 WeakPolarHBondContact O-CB 3.14Å; A100-S103 PolarHBondContact O-N 3.11Å; A100-S103 VanDerWaalsContact O-N 3.08Å; A100-S103 PolarHBondContact O-OG 2.89Å; I101-S103 PolarHBondContact O-N 3.46Å; S103-Q105 PolarHBondContact O-N 3.17Å; S103-R120 PolarHBondContact OG-NH1 2.9Å
104E86.7Confident88.2Confident17 Ų1737 Ų378%0.07917%0.174CC..  trans-93.173.3173.5-62.4-61.9134.400109.1R75 V76 R79 I101 F102 E106 S107 A110R75-E104 IonicContact CZ-OE1 2.71Å; R75-E104 IonicContact CZ-OE2 3.74Å; R75-E104 IonicContact NE-OE1 3.67Å; R75-E104 PolarHBondContact NE-OE1 3.47Å; R75-E104 IonicContact NE-OE2 2.64Å; R75-E104 IonicContact NH2-OE1 3.51Å; R75-E104 IonicContact NH2-OE2 3.08Å; R75-E104 PolarHBondContact NH2-OE2 2.9Å; V76-E104 HydrophobicContact CG2-CG 3.47Å; V76-E104 VanDerWaalsContact CG2-CG 3.47Å; R79-E104 IonicContact CZ-OE1 3.74Å; R79-E104 IonicContact NH1-OE1 3.28Å; R79-E104 PolarHBondContact NH1-OE1 3.39Å; I101-E104 PolarHBondContact O-N 2.86Å; F102-E104 VanDerWaalsContact C-N 3.32Å; E104-E106 PolarHBondContact O-N 2.94Å; E104-E106 VanDerWaalsContact O-N 3.16Å; E104-S107 WeakPolarHBondContact O-CB 3.36Å; E104-S107 PolarHBondContact O-N 3.49Å; E104-S107 PolarHBondContact O-OG 3.02Å; E104-A110 WeakPolarHBondContact O-CB 3.41Å
105Q79.2Confident88.2Confident120 Ų12041.9 Ų41.956%0.56119%0.193SC*.THydrogen-bonded Turntrans-62.7-23.9-171.9-58.9-171.121.200114.3S103 S107S103-Q105 PolarHBondContact O-N 3.17Å; Q105-S107 VanDerWaalsContact C-N 3.31Å
106E81.8Confident88.3Confident205 Ų20543.3 Ų43.396%0.95820%0.198SC*.THydrogen-bonded Turntrans-85.2-3.9177.6-61.4-179.6172.700112.6E104E104-E106 PolarHBondContact O-N 2.94Å; E104-E106 VanDerWaalsContact O-N 3.16Å
107S89.8Confident88.1Confident15 Ų1549.8 Ų49.811%0.10523%0.228CC..SBendtrans-78.2145.5177.768.90000112E104 Q105 A109 A110 Y111E104-S107 WeakPolarHBondContact O-CB 3.36Å; E104-S107 PolarHBondContact O-N 3.49Å; E104-S107 PolarHBondContact O-OG 3.02Å; Q105-S107 VanDerWaalsContact C-N 3.31Å; S107-A109 PolarHBondContact O-N 3.17Å; S107-A110 PolarHBondContact O-N 3.31Å; S107-A110 WeakPolarHBondContact OG-CB 3.5Å; S107-A110 PolarHBondContact OG-N 2.97Å; S107-A110 VanDerWaalsContact OG-N 3.15Å; S107-Y111 PolarHBondContact O-N 2.75Å; S107-Y111 VanDerWaalsContact O-N 3.15Å
108Q90.7Very high87.7Confident61 Ų6149.2 Ų49.229%0.28523%0.225SC..Hα-helixtrans-66-32.1174.1-169.569.32.900110.4E17 F50 A110 Y111 L112E17-Q108 HydrophobicContact CG-CB 3.98Å; E17-Q108 PolarHBondContact OE1-N 2.85Å; F50-Q108 HydrophobicContact CD1-CB 4.11Å; F50-Q108 HydrophobicContact CD1-CG 3.96Å; F50-Q108 HydrophobicContact CD2-CB 4.46Å; F50-Q108 HydrophobicContact CD2-CG 3.71Å; F50-Q108 HydrophobicContact CE1-CB 3.62Å; F50-Q108 HydrophobicContact CE1-CG 3.89Å; F50-Q108 HydrophobicContact CE2-CB 3.99Å; F50-Q108 HydrophobicContact CE2-CG 3.62Å; F50-Q108 HydrophobicContact CG-CB 4.5Å; F50-Q108 HydrophobicContact CG-CG 3.86Å; F50-Q108 HydrophobicContact CZ-CB 3.54Å; F50-Q108 HydrophobicContact CZ-CG 3.71Å; Q108-A110 PolarHBondContact O-N 3.45Å; Q108-Y111 WeakPolarHBondContact O-CB 3.39Å; Q108-Y111 PolarHBondContact O-N 2.96Å; Q108-L112 HydrophobicContact CG-CD1 4.25Å; Q108-L112 HydrophobicContact CG-CG 4.27Å; Q108-L112 WeakPolarHBondContact O-CB 3.43Å; Q108-L112 WeakPolarHBondContact O-CG 3.47Å; Q108-L112 PolarHBondContact O-N 3.49Å
109A92.9Very high87.2Confident0 Ų051.4 Ų51.40%024%0.24CC..Hα-helixtrans-55.4-48.2172.700000112.6V16 E17 L20 I101 S107 L112 L113V16-A109 HydrophobicContact CB-CB 4.42Å; V16-A109 HydrophobicContact CG1-CB 3.83Å; E17-A109 HydrophobicContact CG-CB 4.25Å; E17-A109 PolarHBondContact OE1-N 3.15Å; L20-A109 HydrophobicContact CB-CB 4.12Å; L20-A109 HydrophobicContact CD2-CB 3.8Å; I101-A109 HydrophobicContact CG2-CB 3.89Å; S107-A109 PolarHBondContact O-N 3.17Å; A109-L112 PolarHBondContact O-N 3.32Å; A109-L113 WeakPolarHBondContact O-CG 3.48Å; A109-L113 PolarHBondContact O-N 3.36Å
110A89.1Confident86.9Confident0 Ų055.8 Ų55.80%026%0.256CS..Hα-helixtrans-67.7-36177.400000112.2E104 S107 Q108 R114E104-A110 WeakPolarHBondContact O-CB 3.41Å; S107-A110 PolarHBondContact O-N 3.31Å; S107-A110 WeakPolarHBondContact OG-CB 3.5Å; S107-A110 PolarHBondContact OG-N 2.97Å; S107-A110 VanDerWaalsContact OG-N 3.15Å; Q108-A110 PolarHBondContact O-N 3.45Å; A110-R114 WeakPolarHBondContact O-CG 3.36Å; A110-R114 PolarHBondContact O-N 3.4Å; A110-R114 VanDerWaalsContact O-N 3.16Å
111Y91.1Very high85.9Confident132 Ų13260.4 Ų60.452%0.51828%0.28SS..Hα-helixtrans-61.9-49174.1170.2-96.8000111.9S107 Q108 L113 R114 K115S107-Y111 PolarHBondContact O-N 2.75Å; S107-Y111 VanDerWaalsContact O-N 3.15Å; Q108-Y111 WeakPolarHBondContact O-CB 3.39Å; Q108-Y111 PolarHBondContact O-N 2.96Å; Y111-L113 PolarHBondContact O-N 3.3Å; Y111-R114 PolarHBondContact O-N 3.43Å; Y111-K115 HydrophobicContact CE1-CD 4.44Å; Y111-K115 PolarHBondContact O-N 3.41Å
112L91.4Very high85.1Confident5 Ų562.5 Ų62.53%0.02629%0.291CS..Hα-helixtrans-63.2-42179.6-71176.9000111.9L43 E46 L47 Q108 A109 R114 K115 H116L43-L112 HydrophobicContact CD1-CB 3.77Å; L43-L112 HydrophobicContact CD1-CD1 4.41Å; E46-L112 HydrophobicContact CB-CD1 4.33Å; E46-L112 HydrophobicContact CB-CD2 4.15Å; E46-L112 WeakPolarHBondContact OE2-CD2 3.4Å; L47-L112 HydrophobicContact CD2-CD1 3.59Å; L47-L112 HydrophobicContact CG-CD1 3.82Å; Q108-L112 HydrophobicContact CG-CD1 4.25Å; Q108-L112 HydrophobicContact CG-CG 4.27Å; Q108-L112 WeakPolarHBondContact O-CB 3.43Å; Q108-L112 WeakPolarHBondContact O-CG 3.47Å; Q108-L112 PolarHBondContact O-N 3.49Å; A109-L112 PolarHBondContact O-N 3.32Å; L112-R114 VanDerWaalsContact C-N 3.29Å; L112-R114 PolarHBondContact O-N 2.92Å; L112-K115 HydrophobicContact CD2-CD 4.35Å; L112-K115 WeakPolarHBondContact O-CB 3.45Å; L112-K115 PolarHBondContact O-N 2.95Å; L112-K115 VanDerWaalsContact O-N 3.15Å; L112-H116 PolarHBondContact O-CD2 2.58Å; L112-H116 VanDerWaalsContact O-CD2 3.28Å; L112-H116 PolarHBondContact O-N 2.99Å
113L92.2Very high84.6Confident0 Ų062 Ų620%029%0.289CS..Hα-helixtrans-57.4-43.2174-74.1170000111.8L20 L33 L43 L98 I101 F102 A109 Y111 H116 E117 V118L20-L113 HydrophobicContact CD1-CD1 4.18Å; L20-L113 HydrophobicContact CD1-CD2 4.19Å; L20-L113 HydrophobicContact CD1-CG 4.42Å; L20-L113 HydrophobicContact CD2-CD1 4.03Å; L20-L113 HydrophobicContact CD2-CD2 4.2Å; L20-L113 HydrophobicContact CD2-CG 3.82Å; L33-L113 HydrophobicContact CD2-CD2 3.71Å; L43-L113 HydrophobicContact CD2-CD2 4.27Å; L98-L113 HydrophobicContact CD1-CD1 3.98Å; L98-L113 HydrophobicContact CD1-CD2 4.24Å; I101-L113 HydrophobicContact CG2-CD1 3.99Å; F102-L113 HydrophobicContact CE1-CB 3.85Å; F102-L113 HydrophobicContact CE1-CD1 4.25Å; F102-L113 HydrophobicContact CE2-CD1 3.97Å; F102-L113 HydrophobicContact CZ-CB 3.8Å; F102-L113 HydrophobicContact CZ-CD1 3.81Å; F102-L113 HydrophobicContact CZ-CG 4.3Å; A109-L113 WeakPolarHBondContact O-CG 3.48Å; A109-L113 PolarHBondContact O-N 3.36Å; Y111-L113 PolarHBondContact O-N 3.3Å; L113-H116 CarbonylContact O-C 3.57Å; L113-H116 PolarHBondContact O-N 3.41Å; L113-E117 PolarHBondContact O-N 2.88Å; L113-V118 HydrophobicContact CB-CB 4.35Å; L113-V118 HydrophobicContact CD2-CB 4.41Å; L113-V118 HydrophobicContact CD2-CG2 4.37Å; L113-V118 WeakPolarHBondContact O-CA 3.4Å; L113-V118 VanDerWaalsContact O-CB 3.3Å; L113-V118 WeakPolarHBondContact O-CB 3.13Å; L113-V118 PolarHBondContact O-N 3.17Å
114R87.2Confident84.1Confident126 Ų12661 Ų6148%0.47528%0.282SS..Hα-helixtrans-68.4-37176-70.3176.3-174.1175.63.8112.9A110 Y111 L112 H116 E117A110-R114 WeakPolarHBondContact O-CG 3.36Å; A110-R114 PolarHBondContact O-N 3.4Å; A110-R114 VanDerWaalsContact O-N 3.16Å; Y111-R114 PolarHBondContact O-N 3.43Å; L112-R114 VanDerWaalsContact C-N 3.29Å; L112-R114 PolarHBondContact O-N 2.92Å; R114-H116 PolarHBondContact O-N 3.2Å; R114-E117 PolarHBondContact O-N 2.84Å
115K87.9Confident83.2Confident110 Ų11063.5 Ų63.548%0.47830%0.295SS..Hα-helixtrans-60.2-36.1175.3-176.7-172.1169.3-162.90111.2E46 Y111 L112 E117E46-K115 IonicContact OE1-NZ 3.8Å; E46-K115 PolarHBondContact OE1-NZ 3.27Å; E46-K115 IonicContact OE2-NZ 2.61Å; E46-K115 PolarHBondContact OE2-NZ 3.32Å; Y111-K115 HydrophobicContact CE1-CD 4.44Å; Y111-K115 PolarHBondContact O-N 3.41Å; L112-K115 HydrophobicContact CD2-CD 4.35Å; L112-K115 WeakPolarHBondContact O-CB 3.45Å; L112-K115 PolarHBondContact O-N 2.95Å; L112-K115 VanDerWaalsContact O-N 3.15Å; K115-E117 PolarHBondContact O-N 3Å
116H88.1Confident82.8Confident36 Ų3659 Ų5917%0.16727%0.274CS..THydrogen-bonded Turntrans-85.821.2172.7-73.8-83.3000113.7V38 L112 L113 R114 V118V38-H116 HydrophobicContact CG1-CB 4.1Å; L112-H116 PolarHBondContact O-CD2 2.58Å; L112-H116 VanDerWaalsContact O-CD2 3.28Å; L112-H116 PolarHBondContact O-N 2.99Å; L113-H116 CarbonylContact O-C 3.57Å; L113-H116 PolarHBondContact O-N 3.41Å; R114-H116 PolarHBondContact O-N 3.2Å; H116-V118 HydrophobicContact CB-CG2 4.42Å; H116-V118 PolarHBondContact O-N 3.44Å; H116-V118 VanDerWaalsContact O-N 3.1Å
117E82.8Confident82.3Confident148 Ų14851.4 Ų51.469%0.69224%0.24SC*.THydrogen-bonded Turntrans57.125.7176.7-54.5-172.5167.600115L113 R114 K115 K133L113-E117 PolarHBondContact O-N 2.88Å; R114-E117 PolarHBondContact O-N 2.84Å; K115-E117 PolarHBondContact O-N 3Å; E117-K133 PolarHBondContact O-NZ 3.27Å
118V84.2Confident81.1Confident2 Ų253.9 Ų53.91%0.01226%0.257CS..  trans-90.2114.6171.6-166.40000108.6L33 C36 V38 F102 L113 H116 V123L33-V118 HydrophobicContact CD2-CG1 4.36Å; L33-V118 HydrophobicContact CD2-CG2 4.29Å; C36-V118 HydrophobicContact CB-CG1 4.33Å; C36-V118 HydrophobicContact CB-CG2 4.36Å; V38-V118 HydrophobicContact CB-CG2 4.46Å; V38-V118 HydrophobicContact CG2-CG2 3.08Å; F102-V118 VanDerWaalsContact CE1-O 3.28Å; F102-V118 WeakPolarHBondContact CE1-O 3.19Å; F102-V118 HydrophobicContact CE2-CG1 4.42Å; F102-V118 HydrophobicContact CZ-CB 4.18Å; F102-V118 HydrophobicContact CZ-CG1 3.8Å; F102-V118 WeakPolarHBondContact CZ-O 3.44Å; L113-V118 HydrophobicContact CB-CB 4.35Å; L113-V118 HydrophobicContact CD2-CB 4.41Å; L113-V118 HydrophobicContact CD2-CG2 4.37Å; L113-V118 WeakPolarHBondContact O-CA 3.4Å; L113-V118 VanDerWaalsContact O-CB 3.3Å; L113-V118 WeakPolarHBondContact O-CB 3.13Å; L113-V118 PolarHBondContact O-N 3.17Å; H116-V118 HydrophobicContact CB-CG2 4.42Å; H116-V118 PolarHBondContact O-N 3.44Å; H116-V118 VanDerWaalsContact O-N 3.1Å; V118-V123 HydrophobicContact CG1-CG2 3.64Å
119S80.6Confident79.7Confident45 Ų4557 Ų5732%0.31527%0.271SS..  trans-94.1156.3167.883.20000110.6L121 D122 V123S119-L121 PolarHBondContact O-N 2.88Å; S119-L121 PolarHBondContact OG-N 2.85Å; S119-D122 WeakPolarHBondContact CA-OD2 3.5Å; S119-D122 VanDerWaalsContact CB-OD2 3.25Å; S119-D122 WeakPolarHBondContact CB-OD2 3.38Å; S119-D122 PolarHBondContact N-OD2 3.03Å; S119-D122 PolarHBondContact O-N 3.28Å; S119-D122 PolarHBondContact OG-N 3.14Å; S119-D122 PolarHBondContact OG-OD1 2.81Å; S119-D122 PolarHBondContact OG-OD2 2.69Å; S119-V123 PolarHBondContact O-N 2.86Å
120R79.2Confident78.2Confident95 Ų9559.1 Ų59.136%0.35829%0.293SS..Hα-helixtrans-56.5-36.5171.8-174.7-172.6176119.2-7111.7V99 F102 S103 D122 V123 V124V99-R120 HydrophobicContact CG1-CG 4.21Å; V99-R120 PolarHBondContact O-NH1 3.44Å; F102-R120 HydrophobicContact CB-CB 3.84Å; F102-R120 HydrophobicContact CB-CG 3.96Å; F102-R120 HydrophobicContact CD1-CB 4.13Å; F102-R120 HydrophobicContact CD2-CB 3.91Å; F102-R120 HydrophobicContact CD2-CG 4.15Å; F102-R120 HydrophobicContact CE2-CB 4.49Å; F102-R120 HydrophobicContact CG-CB 3.7Å; F102-R120 HydrophobicContact CG-CG 4.16Å; S103-R120 PolarHBondContact OG-NH1 2.9Å; R120-D122 VanDerWaalsContact C-N 3.33Å; R120-V123 PolarHBondContact O-N 2.67Å; R120-V124 HydrophobicContact CG-CG2 4.29Å; R120-V124 VanDerWaalsContact O-CG2 3.28Å; R120-V124 WeakPolarHBondContact O-CG2 3.17Å; R120-V124 PolarHBondContact O-N 3.02Å
121L68.6Low76.4Confident102 Ų10262.6 Ų62.653%0.53431%0.314SS..Hα-helixtrans-64.7-39.4-178.8-74.2171000111S119 V123 V124 N125S119-L121 PolarHBondContact O-N 2.88Å; S119-L121 PolarHBondContact OG-N 2.85Å; L121-V123 PolarHBondContact O-N 3.38Å; L121-V124 PolarHBondContact O-N 3.08Å; L121-N125 VanDerWaalsContact O-CB 3.25Å; L121-N125 WeakPolarHBondContact O-CB 3.4Å; L121-N125 PolarHBondContact O-N 3.09Å; L121-N125 PolarHBondContact O-ND2 3.48Å
122D74.4Confident74.6Confident43 Ų4363.1 Ų63.123%0.2332%0.315CS..Hα-helixtrans-61.3-46.2179-53.9-39.9000110.9S119 R120 N125 F126S119-D122 WeakPolarHBondContact CA-OD2 3.5Å; S119-D122 VanDerWaalsContact CB-OD2 3.25Å; S119-D122 WeakPolarHBondContact CB-OD2 3.38Å; S119-D122 PolarHBondContact N-OD2 3.03Å; S119-D122 PolarHBondContact O-N 3.28Å; S119-D122 PolarHBondContact OG-N 3.14Å; S119-D122 PolarHBondContact OG-OD1 2.81Å; S119-D122 PolarHBondContact OG-OD2 2.69Å; R120-D122 VanDerWaalsContact C-N 3.33Å; D122-N125 PolarHBondContact O-N 3.38Å; D122-F126 WeakPolarHBondContact O-CB 3.38Å; D122-F126 PolarHBondContact O-N 3.06Å
123V75.9Confident72.8Confident0 Ų067 Ų670%033%0.332CS..Hα-helixtrans-66.1-41.3178.4-175.80000111.5A32 L98 V99 F102 V118 S119 R120 L121 F126 I127A32-V123 HydrophobicContact CB-CG1 4.26Å; L98-V123 HydrophobicContact CD2-CG1 3.84Å; L98-V123 HydrophobicContact CD2-CG2 4.11Å; L98-V123 HydrophobicContact CG-CG1 4.19Å; V99-V123 HydrophobicContact CG2-CB 4.22Å; V99-V123 HydrophobicContact CG2-CG1 3.61Å; F102-V123 HydrophobicContact CE2-CG2 4.06Å; V118-V123 HydrophobicContact CG1-CG2 3.64Å; S119-V123 PolarHBondContact O-N 2.86Å; R120-V123 PolarHBondContact O-N 2.67Å; L121-V123 PolarHBondContact O-N 3.38Å; V123-F126 PolarHBondContact O-N 3.4Å; V123-I127 HydrophobicContact CG1-CD1 4.04Å; V123-I127 WeakPolarHBondContact O-CD1 3.29Å; V123-I127 VanDerWaalsContact O-CG1 3.25Å; V123-I127 WeakPolarHBondContact O-CG1 3.45Å; V123-I127 PolarHBondContact O-N 2.94Å
124V73.4Confident70.6Confident20 Ų2073.1 Ų73.112%0.12137%0.365CS..Hα-helixtrans-66.6-43.6177.31720000111V99 R120 L121 F126 I127 S128V99-V124 HydrophobicContact CB-CG2 4.46Å; V99-V124 HydrophobicContact CG1-CG2 3.7Å; V99-V124 HydrophobicContact CG2-CG2 3.8Å; R120-V124 HydrophobicContact CG-CG2 4.29Å; R120-V124 VanDerWaalsContact O-CG2 3.28Å; R120-V124 WeakPolarHBondContact O-CG2 3.17Å; R120-V124 PolarHBondContact O-N 3.02Å; L121-V124 PolarHBondContact O-N 3.08Å; V124-F126 VanDerWaalsContact C-N 3.29Å; V124-F126 PolarHBondContact O-N 3.48Å; V124-I127 PolarHBondContact O-N 2.82Å; V124-I127 VanDerWaalsContact O-N 3.17Å; V124-S128 WeakPolarHBondContact O-CB 3.31Å; V124-S128 PolarHBondContact O-N 2.88Å; V124-S128 PolarHBondContact O-OG 3.33Å
125N66.5Low68Low68 Ų6873.6 Ų73.636%0.36437%0.372SS..Hα-helixtrans-61.1-39.9176.6-74.8-14.1000111.2L121 D122 S128 H129L121-N125 VanDerWaalsContact O-CB 3.25Å; L121-N125 WeakPolarHBondContact O-CB 3.4Å; L121-N125 PolarHBondContact O-N 3.09Å; L121-N125 PolarHBondContact O-ND2 3.48Å; D122-N125 PolarHBondContact O-N 3.38Å; N125-S128 PolarHBondContact O-N 3.43Å; N125-H129 WeakPolarHBondContact O-CA 3.33Å; N125-H129 WeakPolarHBondContact O-CB 3.5Å; N125-H129 PolarHBondContact O-N 2.74Å
126F71.9Confident65.5Low26 Ų2674.2 Ų74.211%0.11439%0.388CS..Hα-helixtrans-63-44.1173.7-179.1-99.6000112.2E31 A32 A35 D122 V123 V124 S128 G130E31-F126 HydrophobicContact CB-CE1 4.45Å; E31-F126 HydrophobicContact CB-CZ 4.42Å; E31-F126 HydrophobicContact CG-CE1 4.24Å; E31-F126 HydrophobicContact CG-CZ 3.75Å; A32-F126 HydrophobicContact CB-CD1 3.54Å; A32-F126 HydrophobicContact CB-CE1 3.91Å; A32-F126 HydrophobicContact CB-CG 4.41Å; A35-F126 HydrophobicContact CB-CD2 3.39Å; A35-F126 HydrophobicContact CB-CE2 3.48Å; A35-F126 VanDerWaalsContact CB-CE2 3.48Å; A35-F126 HydrophobicContact CB-CG 4.05Å; A35-F126 HydrophobicContact CB-CZ 4.19Å; D122-F126 WeakPolarHBondContact O-CB 3.38Å; D122-F126 PolarHBondContact O-N 3.06Å; V123-F126 PolarHBondContact O-N 3.4Å; V124-F126 VanDerWaalsContact C-N 3.29Å; V124-F126 PolarHBondContact O-N 3.48Å; F126-S128 VanDerWaalsContact C-N 3.32Å; F126-S128 PolarHBondContact O-N 3.18Å; F126-G130 VanDerWaalsContact O-CA 3.24Å; F126-G130 WeakPolarHBondContact O-CA 3.5Å; F126-G130 PolarHBondContact O-N 3.29Å
127I70.4Confident62.9Low46 Ų4678.9 Ų78.924%0.23642%0.419CS..Hα-helixtrans-65.4-36.2178.3-66.3162.3000112A95 V99 V123 V124A95-I127 HydrophobicContact CB-CD1 3.72Å; A95-I127 HydrophobicContact CB-CG1 3.79Å; V99-I127 HydrophobicContact CG2-CD1 3.47Å; V99-I127 VanDerWaalsContact CG2-CD1 3.47Å; V123-I127 HydrophobicContact CG1-CD1 4.04Å; V123-I127 WeakPolarHBondContact O-CD1 3.29Å; V123-I127 VanDerWaalsContact O-CG1 3.25Å; V123-I127 WeakPolarHBondContact O-CG1 3.45Å; V123-I127 PolarHBondContact O-N 2.94Å; V124-I127 PolarHBondContact O-N 2.82Å; V124-I127 VanDerWaalsContact O-N 3.17Å
128S65.1Low60.5Low67 Ų6781.2 Ų81.247%0.46943%0.43SS..Hα-helixtrans-83.9-36.8-177.3-68.80000113.5V124 N125 F126V124-S128 WeakPolarHBondContact O-CB 3.31Å; V124-S128 PolarHBondContact O-N 2.88Å; V124-S128 PolarHBondContact O-OG 3.33Å; N125-S128 PolarHBondContact O-N 3.43Å; F126-S128 VanDerWaalsContact C-N 3.32Å; F126-S128 PolarHBondContact O-N 3.18Å
129H60.1Low57.9Low126 Ų12686.3 Ų86.358%0.58347%0.466SS*.Hα-helixtrans-128.7-10.9-168-56.8-62.9000114.7N125 T131N125-H129 WeakPolarHBondContact O-CA 3.33Å; N125-H129 WeakPolarHBondContact O-CB 3.5Å; N125-H129 PolarHBondContact O-N 2.74Å; H129-T131 HydrophobicContact CB-CG2 4.12Å; H129-T131 PolarHBondContact O-N 2.99Å
130G61.5Low55.3Low45 Ų4589.8 Ų89.846%0.46449%0.49SS..  trans70.213.4-17800000115.1F126F126-G130 VanDerWaalsContact O-CA 3.24Å; F126-G130 WeakPolarHBondContact O-CA 3.5Å; F126-G130 PolarHBondContact O-N 3.29Å
131T51.8Low52.9Low72 Ų7292.3 Ų92.344%0.44251%0.51SS..  trans-71.8129.6-175.9430000112.2H129H129-T131 HydrophobicContact CB-CG2 4.12Å; H129-T131 PolarHBondContact O-N 2.99Å
132R53.9Low51.4Low143 Ų14393.3 Ų93.354%0.5452%0.523SS..  trans-99.2143.1175.9-70.3-176.6173-178.8-1.8110.3A35 D134 E135A35-R132 HydrophobicContact CB-CG 3.95Å; R132-D134 PolarHBondContact O-N 3.14Å; R132-D134 VanDerWaalsContact O-N 3.12Å; R132-E135 PolarHBondContact O-N 3.14Å
133K53.9Low49.2Very low86 Ų8694.8 Ų94.837%0.37455%0.548SS..THydrogen-bonded Turntrans-57.8-25.1177.3-100.2-174.2-178.5175.20113.5A35 E117 E135A35-K133 PolarHBondContact O-N 3.45Å; E117-K133 PolarHBondContact O-NZ 3.27Å; K133-E135 VanDerWaalsContact C-N 3.26Å; K133-E135 PolarHBondContact O-N 3.43Å
134D46Very low46.8Very low130 Ų130100.2 Ų100.270%0.69559%0.586SS**THydrogen-bonded Turntrans-76.1-6.7-178.8-63.5-24000114.3S37 R132S37-D134 PolarHBondContact OG-OD1 3.42Å; R132-D134 PolarHBondContact O-N 3.14Å; R132-D134 VanDerWaalsContact O-N 3.12Å
135E32.8Very low44.6Very low135 Ų135108.2 Ų108.263%0.63162%0.622SS**SBendtrans-86.9118.4168.7-72.7-171.8159.400109.4R132 K133 T137R132-E135 PolarHBondContact O-N 3.14Å; K133-E135 VanDerWaalsContact C-N 3.26Å; K133-E135 PolarHBondContact O-N 3.43Å; E135-T137 PolarHBondContact O-N 3.1Å
136P34.4Very low43.2Very low124 Ų124110.7 Ų110.781%0.80564%0.642SS**  trans-68.596.6-172.527.7-32000109.2Q138P136-Q138 PolarHBondContact O-N 2.75Å
137T34.2Very low41.1Very low133 Ų133116.9 Ų116.982%0.81668%0.677SS**  trans-67.1113.216022.50000106.1E135 S139E135-T137 PolarHBondContact O-N 3.1Å; T137-S139 PolarHBondContact O-N 2.9Å
138Q31Very low39.1Very low197 Ų197120 Ų12092%0.92170%0.702SS**  trans-40.6106.9-176.3-71.1175.5-8.100110.7P136 S140P136-Q138 PolarHBondContact O-N 2.75Å; Q138-S140 PolarHBondContact O-N 2.9Å
139S30.1Very low37.2Very low110 Ų110126.4 Ų126.477%0.76973%0.725SS**  trans-62.5120.8-177.747.40000109.7T137 D141T137-S139 PolarHBondContact O-N 2.9Å; S139-D141 PolarHBondContact O-N 3.38Å; S139-D141 VanDerWaalsContact O-N 3.09Å
140S27.2Very low35.8Very low117 Ų117129.7 Ų129.782%0.81874%0.741SS**  trans-56.6102.6167.651.10000110.8Q138Q138-S140 PolarHBondContact O-N 2.9Å
141D28.3Very low34.4Very low148 Ų148136.9 Ų136.979%0.79176%0.762SS**  trans-86.6116.6167.7-148.91.4000108.1S139 G143S139-D141 PolarHBondContact O-N 3.38Å; S139-D141 VanDerWaalsContact O-N 3.09Å; D141-G143 PolarHBondContact O-N 2.78Å
142P37.1Very low33.5Very low124 Ų124138.1 Ų138.181%0.80578%0.78SS**SBendtrans-83.186.7-17131.4-31.1000109.8
143G27.4Very low32.5Very low73 Ų73132.8 Ų132.875%0.75377%0.769SS**  trans17242.5178.600000117.9D141D141-G143 PolarHBondContact O-N 2.78Å
144S26.7Very low31.7Very low115 Ų115130.1 Ų130.180%0.80477%0.766SS**  trans-155.1132.3161.748.90000112
145Q26.6Very low31.5Very low187 Ų187132 Ų13287%0.87477%0.771SS**  trans-56.6147.9-170.1-70.4167.3-28.600113.5N147Q145-N147 PolarHBondContact O-N 3.45Å
146P36.1Very low32.4Very low120 Ų120132.2 Ų132.278%0.77977%0.771SS**  trans-80.6112.4-173.232.4-29.5000108.9
147N27.7Very low33.5Very low157 Ų157133.5 Ų133.584%0.8476%0.76SS**  trans-151.3135.1148.9-97.7-26.1000108.6Q145Q145-N147 PolarHBondContact O-N 3.45Å
148S29Very low34.9Very low111 Ų111128.2 Ų128.278%0.77673%0.726SS**SBendtrans64.384.5172.359.10000117.2
149E25.6Very low36.6Very low201 Ų201125.3 Ų125.394%0.93971%0.713SS**  trans-171.971.8139.6-104.1171.8-148.400109.6
150E31.5Very low38.8Very low196 Ų196124.4 Ų124.492%0.91670%0.699SS**  trans-122.616.4177.4-127.7-173.1-166.900113.9
151Q31.6Very low41.5Very low196 Ų196120.3 Ų120.392%0.91667%0.667SS**SBendtrans-114-6.2-175.3-81.3-174.5-21.400117.2
152A32.5Very low44.3Very low98 Ų98113.6 Ų113.681%0.8163%0.631SS**SBendtrans-97-22.2-179.100000115.4
153G32.5Very low46.8Very low31 Ų31110.7 Ų110.732%0.3261%0.611SS.*SBendtrans-95.314.9-17500000115.8
154G37.7Very low50Low29 Ų29108.9 Ų108.930%0.29958%0.584SS.*SBendtrans-80.5-51.5-173.900000113.4R157 Q262G154-R157 PolarHBondContact O-N 2.83Å; G154-Q262 PolarHBondContact O-NE2 3.46Å
155E41.6Very low53.2Low171 Ų171103.7 Ų103.780%0.79955%0.547SS*.Hα-helixtrans-65.6-43.4-174.5-71179.1163.500111.9R157 M158E155-R157 PolarHBondContact O-N 2.83Å; E155-R157 VanDerWaalsContact O-N 3.09Å; E155-M158 PolarHBondContact O-N 2.88Å; E155-M158 VanDerWaalsContact O-N 3.15Å
156E50.7Low56.4Low138 Ų13894.9 Ų94.965%0.64551%0.506SS*.Hα-helixtrans-58.6-26.4178.6-72.6-176.7162.300113.8N160E156-N160 VanDerWaalsContact O-CG 3.22Å; E156-N160 PolarHBondContact O-ND2 3.38Å; E156-N160 VanDerWaalsContact O-ND2 3.07Å
157R59.2Low59.1Low152 Ų15294.2 Ų94.257%0.57449%0.493SS*.Hα-helixtrans-77.3-28.3-179.3-72.8-175.7-160.7151.26.9113.6G154 E155 F161G154-R157 PolarHBondContact O-N 2.83Å; E155-R157 PolarHBondContact O-N 2.83Å; E155-R157 VanDerWaalsContact O-N 3.09Å; R157-F161 WeakPolarHBondContact O-CD2 3.43Å; R157-F161 WeakPolarHBondContact O-CE2 3.45Å
158M62.1Low62.1Low21 Ų2189.7 Ų89.710%0.10347%0.468CS..Hα-helixtrans-78.1-40.6-174.8-144.6-75.2-65.700110.6E155 N160 F161 T162 Y235 Q262 L263E155-M158 PolarHBondContact O-N 2.88Å; E155-M158 VanDerWaalsContact O-N 3.15Å; M158-N160 PolarHBondContact O-N 3.22Å; M158-F161 PolarHBondContact O-N 2.85Å; M158-F161 VanDerWaalsContact O-N 3.16Å; M158-T162 PolarHBondContact O-N 2.96Å; M158-T162 VanDerWaalsContact O-N 3.09Å; M158-T162 PolarHBondContact O-OG1 3.03Å; M158-T162 HydrophobicContact SD-CG2 3.65Å; M158-T162 PolarHBondContact SD-OG1 3.13Å; M158-Y235 HydrophobicContact CE-CD1 3.36Å; M158-Y235 HydrophobicContact CE-CD2 4.14Å; M158-Y235 HydrophobicContact CE-CE1 3.17Å; M158-Y235 HydrophobicContact CE-CE2 3.96Å; M158-Y235 HydrophobicContact CE-CG 3.85Å; M158-Y235 VanDerWaalsContact CE-CZ 3.48Å; M158-Y235 HydrophobicContact SD-CD1 4.35Å; M158-Y235 HydrophobicContact SD-CG 4.49Å; M158-Q262 HydrophobicContact CG-CB 4.39Å; M158-Q262 VanDerWaalsContact CG-OE1 3.23Å; M158-L263 HydrophobicContact SD-CD2 4.41Å
159E68.3Low65Low137 Ų13784.7 Ų84.764%0.6443%0.434SS*.Hα-helixtrans-60.9-26.4173.8-64.1-173161.800112.5F161 T162E159-F161 VanDerWaalsContact C-N 3.34Å; E159-F161 PolarHBondContact O-N 3.43Å; E159-T162 VanDerWaalsContact O-O 3.12Å
160N75.3Confident68.1Low91 Ų9183.4 Ų83.449%0.48742%0.42SS..THydrogen-bonded Turntrans-73.4-22177.8-71.5-22000114.4E156 M158E156-N160 VanDerWaalsContact O-CG 3.22Å; E156-N160 PolarHBondContact O-ND2 3.38Å; E156-N160 VanDerWaalsContact O-ND2 3.07Å; M158-N160 PolarHBondContact O-N 3.22Å
161F83.2Confident71Confident30 Ų3079.3 Ų79.313%0.13241%0.409CS..THydrogen-bonded Turntrans-117.2-7.4-175.2-56.7-53.3000113.4R157 M158 E159 D238 L242 R255 L259R157-F161 WeakPolarHBondContact O-CD2 3.43Å; R157-F161 WeakPolarHBondContact O-CE2 3.45Å; M158-F161 PolarHBondContact O-N 2.85Å; M158-F161 VanDerWaalsContact O-N 3.16Å; E159-F161 VanDerWaalsContact C-N 3.34Å; E159-F161 PolarHBondContact O-N 3.43Å; F161-D238 PolarHBondContact O-N 3.28Å; F161-D238 VanDerWaalsContact O-N 3.1Å; F161-L242 HydrophobicContact CB-CD2 4.1Å; F161-L242 HydrophobicContact CB-CG 4.19Å; F161-L242 HydrophobicContact CD1-CD2 3.84Å; F161-L242 HydrophobicContact CD1-CG 4.17Å; F161-L242 HydrophobicContact CD2-CD2 4.33Å; F161-L242 HydrophobicContact CE1-CD2 4.38Å; F161-L242 HydrophobicContact CG-CD2 3.82Å; F161-L242 HydrophobicContact CG-CG 4.31Å; F161-R255 HydrophobicContact CZ-CB 4.4Å; F161-R255 HydrophobicContact CZ-CG 4.21Å; F161-L259 HydrophobicContact CB-CD1 3.73Å
162T88.1Confident73.5Confident8 Ų872.2 Ų72.25%0.04939%0.389CS..EExtended strand (participates in β ladder)trans-137.1151.4-178.969.40000111.7M158 E159 S236 L237 L259M158-T162 PolarHBondContact O-N 2.96Å; M158-T162 VanDerWaalsContact O-N 3.09Å; M158-T162 PolarHBondContact O-OG1 3.03Å; M158-T162 HydrophobicContact SD-CG2 3.65Å; M158-T162 PolarHBondContact SD-OG1 3.13Å; E159-T162 VanDerWaalsContact O-O 3.12Å; T162-S236 CarbonylContact C-O 3.4Å; T162-S236 WeakPolarHBondContact CA-O 3.12Å; T162-S236 WeakPolarHBondContact CB-O 3.32Å; T162-L237 HydrophobicContact CG2-CD1 4.31Å; T162-L259 HydrophobicContact CG2-CD1 3.5Å; T162-L259 HydrophobicContact CG2-CG 4.41Å
163T90.2Very high76Confident63 Ų6370.1 Ų70.139%0.38738%0.376SS..EExtended strand (participates in β ladder)trans-105.6123.2172.6-53.70000109.2L165 L168 S236T163-L165 PolarHBondContact O-N 3.17Å; T163-L168 HydrophobicContact CG2-CD1 3.45Å; T163-L168 VanDerWaalsContact CG2-CD1 3.45Å; T163-L168 HydrophobicContact CG2-CG 4.14Å; T163-S236 PolarHBondContact N-O 3.47Å; T163-S236 PolarHBondContact O-N 2.84Å
164N93.5Very high78.6Confident34 Ų3469 Ų6918%0.18236%0.363CS..EExtended strand (participates in β ladder)trans-73.7105.5176-173.1-33.6000110.4N166 Q167 L168 T233 Y235N164-N166 VanDerWaalsContact C-N 3.33Å; N164-N166 PolarHBondContact O-N 2.98Å; N164-N166 WeakPolarHBondContact OD1-CB 3.34Å; N164-N166 PolarHBondContact OD1-N 3.03Å; N164-Q167 HydrophobicContact CB-CB 3.93Å; N164-Q167 PolarHBondContact O-N 2.98Å; N164-Q167 PolarHBondContact OD1-N 3.4Å; N164-L168 PolarHBondContact O-N 2.83Å; N164-L168 VanDerWaalsContact O-N 3.09Å; N164-T233 WeakPolarHBondContact ND2-CG2 3.31Å; N164-Y235 HydrophobicContact CB-CD1 4.15Å; N164-Y235 HydrophobicContact CB-CE1 4.02Å
165L93.8Very high80.9Confident6 Ų670.9 Ų70.93%0.03137%0.366CS..Hα-helixtrans-69-31.5-178.7-62.7-172.2000112T163 Q167 L168 A169 I174 E214 A217 I234T163-L165 PolarHBondContact O-N 3.17Å; L165-Q167 VanDerWaalsContact C-N 3.32Å; L165-Q167 PolarHBondContact O-N 2.68Å; L165-L168 HydrophobicContact CD2-CD1 4.13Å; L165-L168 PolarHBondContact O-N 3.28Å; L165-A169 WeakPolarHBondContact O-CB 3.49Å; L165-A169 PolarHBondContact O-N 3.13Å; L165-I174 HydrophobicContact CB-CD1 4.33Å; L165-I174 VanDerWaalsContact O-CD1 3.29Å; L165-I174 WeakPolarHBondContact O-CD1 3.38Å; L165-E214 HydrophobicContact CD1-CG 4.38Å; L165-A217 HydrophobicContact CB-CB 3.59Å; L165-I234 HydrophobicContact CB-CB 4.32Å; L165-I234 HydrophobicContact CB-CG2 4.45Å; L165-I234 HydrophobicContact CD1-CG2 3.79Å; L165-I234 HydrophobicContact CG-CG2 4.37Å; L165-I234 PolarHBondContact N-O 3.25Å
166N93.5Very high82.9Confident2 Ų265 Ų651%0.01134%0.343CS..Hα-helixtrans-66.4-38.5176.3-64.243000110.8N164 A169 R170 V221 C232 T233 I234N164-N166 VanDerWaalsContact C-N 3.33Å; N164-N166 PolarHBondContact O-N 2.98Å; N164-N166 WeakPolarHBondContact OD1-CB 3.34Å; N164-N166 PolarHBondContact OD1-N 3.03Å; N166-A169 WeakPolarHBondContact O-CB 3.22Å; N166-A169 PolarHBondContact O-N 3.2Å; N166-R170 WeakPolarHBondContact O-CG 3.07Å; N166-R170 PolarHBondContact O-N 2.94Å; N166-V221 HydrophobicContact CB-CG2 4.02Å; N166-V221 WeakPolarHBondContact O-CG2 3.5Å; N166-C232 PolarHBondContact ND2-O 2.82Å; N166-T233 HydrophobicContact CB-CG2 4.4Å; N166-I234 PolarHBondContact OD1-N 3.25Å
167Q93.1Very high84.7Confident106 Ų10660.7 Ų60.750%0.49532%0.324SS..Hα-helixtrans-66.3-44.1174.8-172.2175.74.400111.2N164 L165 A169 R170 V171N164-Q167 HydrophobicContact CB-CB 3.93Å; N164-Q167 PolarHBondContact O-N 2.98Å; N164-Q167 PolarHBondContact OD1-N 3.4Å; L165-Q167 VanDerWaalsContact C-N 3.32Å; L165-Q167 PolarHBondContact O-N 2.68Å; Q167-A169 VanDerWaalsContact C-N 3.29Å; Q167-A169 PolarHBondContact O-N 3.15Å; Q167-R170 PolarHBondContact O-N 3.09Å; Q167-R170 VanDerWaalsContact O-N 3.15Å; Q167-V171 PolarHBondContact O-N 3.21Å; Q167-V171 VanDerWaalsContact O-N 3.12Å
168L91.3Very high86Confident62 Ų6255.8 Ų55.833%0.32531%0.308SS..Hα-helixtrans-58-40.3172.9-78.4177.2000112.3T163 N164 L165 V171 G172 G173 I174T163-L168 HydrophobicContact CG2-CD1 3.45Å; T163-L168 VanDerWaalsContact CG2-CD1 3.45Å; T163-L168 HydrophobicContact CG2-CG 4.14Å; N164-L168 PolarHBondContact O-N 2.83Å; N164-L168 VanDerWaalsContact O-N 3.09Å; L165-L168 HydrophobicContact CD2-CD1 4.13Å; L165-L168 PolarHBondContact O-N 3.28Å; L168-V171 WeakPolarHBondContact O-CG2 3.25Å; L168-V171 PolarHBondContact O-N 3.33Å; L168-G172 PolarHBondContact O-N 3.34Å; L168-G173 WeakPolarHBondContact O-CA 3.34Å; L168-G173 PolarHBondContact O-N 3.29Å; L168-I174 HydrophobicContact CB-CD1 4.15Å; L168-I174 HydrophobicContact CB-CG1 3.96Å
169A90.1Very high87.3Confident7 Ų756.7 Ų56.76%0.05832%0.323CS..Hα-helixtrans-61.7-44.9174.100000112.2L165 N166 Q167 V171 G172 I174 W218 V221L165-A169 WeakPolarHBondContact O-CB 3.49Å; L165-A169 PolarHBondContact O-N 3.13Å; N166-A169 WeakPolarHBondContact O-CB 3.22Å; N166-A169 PolarHBondContact O-N 3.2Å; Q167-A169 VanDerWaalsContact C-N 3.29Å; Q167-A169 PolarHBondContact O-N 3.15Å; A169-V171 VanDerWaalsContact C-N 3.32Å; A169-V171 PolarHBondContact O-N 2.67Å; A169-G172 PolarHBondContact O-N 2.96Å; A169-G172 VanDerWaalsContact O-N 3.1Å; A169-I174 HydrophobicContact CB-CD1 4Å; A169-W218 HydrophobicContact CB-CB 4.28Å; A169-V221 HydrophobicContact CB-CB 4.4Å; A169-V221 HydrophobicContact CB-CG2 4.01Å
170R90.4Very high88.3Confident173 Ų17351.5 Ų51.565%0.65330%0.298SS*.Hα-helixtrans-61.4-38.4179.9-74.9176.1-173146.92.3112.8N166 Q167 G172 V221N166-R170 WeakPolarHBondContact O-CG 3.07Å; N166-R170 PolarHBondContact O-N 2.94Å; Q167-R170 PolarHBondContact O-N 3.09Å; Q167-R170 VanDerWaalsContact O-N 3.15Å; R170-G172 VanDerWaalsContact C-N 3.25Å; R170-G172 PolarHBondContact O-N 3.09Å; R170-V221 HydrophobicContact CG-CB 4.43Å; R170-V221 HydrophobicContact CG-CG1 3.55Å; R170-V221 HydrophobicContact CG-CG2 3.92Å
171V91.4Very high89.1Confident110 Ų11053.2 Ų53.267%0.66730%0.303SS*.THydrogen-bonded Turntrans-83.20.5178.3-57.20000113.3Q167 L168 A169 G173Q167-V171 PolarHBondContact O-N 3.21Å; Q167-V171 VanDerWaalsContact O-N 3.12Å; L168-V171 WeakPolarHBondContact O-CG2 3.25Å; L168-V171 PolarHBondContact O-N 3.33Å; A169-V171 VanDerWaalsContact C-N 3.32Å; A169-V171 PolarHBondContact O-N 2.67Å; V171-G173 VanDerWaalsContact C-N 3.33Å
172G84.8Confident89.5Confident48 Ų4860 Ų6050%0.49533%0.332SS..THydrogen-bonded Turntrans76.916.1-179.500000114.6L168 A169 R170 I174L168-G172 PolarHBondContact O-N 3.34Å; A169-G172 PolarHBondContact O-N 2.96Å; A169-G172 VanDerWaalsContact O-N 3.1Å; R170-G172 VanDerWaalsContact C-N 3.25Å; R170-G172 PolarHBondContact O-N 3.09Å; G172-I174 VanDerWaalsContact C-N 3.26Å; G172-I174 PolarHBondContact O-N 3.11Å
173G85Confident89.8Confident53 Ų5361.2 Ų61.255%0.54634%0.337SS..  trans-75.7-10178.600000114.5L168 V171L168-G173 WeakPolarHBondContact O-CA 3.34Å; L168-G173 PolarHBondContact O-N 3.29Å; V171-G173 VanDerWaalsContact C-N 3.33Å
174I87.4Confident89.9Confident9 Ų958.3 Ų58.35%0.04632%0.319CS..SBendtrans-97.4140.4177.3-68.4-175.5000110.7L165 L168 A169 G172 E214 A217 K353L165-I174 HydrophobicContact CB-CD1 4.33Å; L165-I174 VanDerWaalsContact O-CD1 3.29Å; L165-I174 WeakPolarHBondContact O-CD1 3.38Å; L168-I174 HydrophobicContact CB-CD1 4.15Å; L168-I174 HydrophobicContact CB-CG1 3.96Å; A169-I174 HydrophobicContact CB-CD1 4Å; G172-I174 VanDerWaalsContact C-N 3.26Å; G172-I174 PolarHBondContact O-N 3.11Å; I174-E214 HydrophobicContact CD1-CB 3.95Å; I174-E214 HydrophobicContact CD1-CG 4.16Å; I174-E214 HydrophobicContact CG1-CB 4.41Å; I174-E214 HydrophobicContact CG2-CB 3.73Å; I174-A217 HydrophobicContact CD1-CB 4.37Å; I174-K353 PolarHBondContact O-NZ 3.09Å
175D85.4Confident89.9Confident67 Ų6761.8 Ų61.836%0.35834%0.335SS..PPolyproline II helixtrans-75.2142.1172.7-78.8-14.8000112L177 L350 K353D175-L177 PolarHBondContact O-N 3.12Å; D175-L350 HydrophobicContact CB-CD2 3.73Å; D175-K353 WeakPolarHBondContact OD1-CD 3.33Å; D175-K353 WeakPolarHBondContact OD1-CE 3.13Å; D175-K353 IonicContact OD1-NZ 2.93Å; D175-K353 PolarHBondContact OD1-NZ 3.4Å
176P84.7Confident90Very high48 Ų4866.5 Ų66.531%0.31235%0.352SS..PPolyproline II helixtrans-63.9127.9179.627.1-34000110.2I178 L350P176-I178 PolarHBondContact O-N 3.41Å; P176-L350 HydrophobicContact CG-CD2 4.33Å
177L88.4Confident90Very high47 Ų4766.6 Ų66.625%0.24635%0.353CS..  trans-75112.6172.4-174.771.3000109.2D175 R180 L184 A211D175-L177 PolarHBondContact O-N 3.12Å; L177-R180 HydrophobicContact CD1-CB 4.37Å; L177-R180 HydrophobicContact CD1-CG 4.43Å; L177-R180 HydrophobicContact CD2-CB 4.31Å; L177-R180 HydrophobicContact CG-CB 4.49Å; L177-L184 HydrophobicContact CD2-CD2 3.78Å; L177-A211 HydrophobicContact CD1-CB 4.08Å
178I87.1Confident90.1Very high50 Ų5062.3 Ų62.326%0.25633%0.333SS..  trans-100124.6176.5-55.5-71.6000109P176 Q345 I346P176-I178 PolarHBondContact O-N 3.41Å; I178-Q345 HydrophobicContact CG2-CB 4.16Å; I178-I346 HydrophobicContact CB-CB 4.46Å; I178-I346 HydrophobicContact CB-CG1 4.07Å; I178-I346 HydrophobicContact CG2-CG1 4.27Å; I178-I346 WeakPolarHBondContact O-CG1 3.4Å
179G88.2Confident90.2Very high40 Ų4063.4 Ų63.441%0.41234%0.337SS..SBendtrans71.3-152.2-174.500000111.9E181G179-E181 PolarHBondContact O-N 3.47Å; G179-E181 VanDerWaalsContact O-N 3.11Å
180R90.4Very high90.3Very high28 Ų2863.1 Ų63.111%0.10633%0.334CS..  trans56.822.3-177.6-58.9-66.6-165.7-1802.9115.2L177 K182 E183 L184 V207 T336L177-R180 HydrophobicContact CD1-CB 4.37Å; L177-R180 HydrophobicContact CD1-CG 4.43Å; L177-R180 HydrophobicContact CD2-CB 4.31Å; L177-R180 HydrophobicContact CG-CB 4.49Å; R180-K182 VanDerWaalsContact C-N 3.28Å; R180-K182 PolarHBondContact O-N 3.15Å; R180-E183 VanDerWaalsContact C-OE2 3.29Å; R180-E183 VanDerWaalsContact CA-OE2 3.24Å; R180-E183 WeakPolarHBondContact CA-OE2 3.01Å; R180-E183 WeakPolarHBondContact CD-OE1 3.09Å; R180-E183 IonicContact CZ-OE1 2.9Å; R180-E183 IonicContact NE-OE1 2.68Å; R180-E183 IonicContact NH1-OE1 3.6Å; R180-E183 PolarHBondContact NH1-OE1 3.48Å; R180-E183 PolarHBondContact O-N 3.47Å; R180-L184 WeakPolarHBondContact O-CB 3.19Å; R180-L184 PolarHBondContact O-N 3.23Å; R180-V207 PolarHBondContact NH2-O 2.92Å; R180-T336 PolarHBondContact NH1-O 2.65Å; R180-T336 PolarHBondContact NH2-O 3.11Å
181E90.2Very high90.4Very high127 Ų12755 Ų5559%0.59330%0.304SS*.Hα-helixtrans-62.2-37.3-175.9-61.8-152.6144.400112.3G179 L184 E185 R219G179-E181 PolarHBondContact O-N 3.47Å; G179-E181 VanDerWaalsContact O-N 3.11Å; E181-L184 PolarHBondContact O-N 3.05Å; E181-E185 WeakPolarHBondContact O-CB 3.26Å; E181-E185 PolarHBondContact O-N 2.93Å; E181-R219 IonicContact OE1-NH2 3.72Å; E181-R219 PolarHBondContact OE1-NH2 3.16Å
182K92.4Very high90.4Very high173 Ų17352.7 Ų52.775%0.75229%0.292SS*.Hα-helixtrans-65.9-42.6179.5-65.3179.3-177.4172.30111.3R180 R186R180-K182 VanDerWaalsContact C-N 3.28Å; R180-K182 PolarHBondContact O-N 3.15Å; K182-R186 WeakPolarHBondContact O-CB 3.13Å; K182-R186 PolarHBondContact O-N 3.43Å
183E94.1Very high90.6Very high33 Ų3355.8 Ų55.815%0.15429%0.288CS..Hα-helixtrans-69.1-40.8179.3-61.493.8137.500111.1R180 R186 A187 I212 I335R180-E183 VanDerWaalsContact C-OE2 3.29Å; R180-E183 VanDerWaalsContact CA-OE2 3.24Å; R180-E183 WeakPolarHBondContact CA-OE2 3.01Å; R180-E183 WeakPolarHBondContact CD-OE1 3.09Å; R180-E183 IonicContact CZ-OE1 2.9Å; R180-E183 IonicContact NE-OE1 2.68Å; R180-E183 IonicContact NH1-OE1 3.6Å; R180-E183 PolarHBondContact NH1-OE1 3.48Å; R180-E183 PolarHBondContact O-N 3.47Å; E183-R186 WeakPolarHBondContact O-CB 3.31Å; E183-R186 PolarHBondContact O-N 3.02Å; E183-A187 PolarHBondContact O-N 3.39Å; E183-I212 HydrophobicContact CB-CD1 4.14Å; E183-I335 HydrophobicContact CB-CD1 3.88Å; E183-I335 HydrophobicContact CG-CD1 3.81Å
184L93.1Very high90.5Very high1 Ų164.7 Ų64.71%0.00531%0.306CS..Hα-helixtrans-67.7-45.8176.4-175.258.1000111.9L177 R180 E181 R186 A187 I188 I212 L216 R219L177-L184 HydrophobicContact CD2-CD2 3.78Å; R180-L184 WeakPolarHBondContact O-CB 3.19Å; R180-L184 PolarHBondContact O-N 3.23Å; E181-L184 PolarHBondContact O-N 3.05Å; L184-R186 VanDerWaalsContact C-N 3.26Å; L184-R186 PolarHBondContact O-N 2.92Å; L184-A187 WeakPolarHBondContact O-CB 3Å; L184-A187 PolarHBondContact O-N 3.36Å; L184-A187 VanDerWaalsContact O-N 3.13Å; L184-I188 HydrophobicContact CG-CD1 4.41Å; L184-I188 WeakPolarHBondContact O-CG1 3.38Å; L184-I188 PolarHBondContact O-N 3.19Å; L184-I212 HydrophobicContact CD1-CG2 4.2Å; L184-L216 HydrophobicContact CD1-CB 3.64Å; L184-L216 HydrophobicContact CD1-CD1 3.94Å; L184-L216 HydrophobicContact CD1-CG 4.31Å; L184-R219 HydrophobicContact CD2-CG 4.21Å; L184-R219 VanDerWaalsContact CD2-CZ 3.42Å
185E93.6Very high90.3Very high108 Ų10874.3 Ų74.351%0.50534%0.341SS..Hα-helixtrans-58.4-42.4172.8-169.5-166160.800110.3E181 A187 I188 Q189E181-E185 WeakPolarHBondContact O-CB 3.26Å; E181-E185 PolarHBondContact O-N 2.93Å; E185-A187 VanDerWaalsContact C-N 3.34Å; E185-A187 PolarHBondContact O-N 3.37Å; E185-I188 PolarHBondContact O-N 3.16Å; E185-Q189 WeakPolarHBondContact O-CB 3.4Å; E185-Q189 VanDerWaalsContact O-CG 3.26Å; E185-Q189 WeakPolarHBondContact O-CG 3.19Å; E185-Q189 PolarHBondContact O-N 3.26Å; E185-Q189 PolarHBondContact OE1-NE2 3.35Å
186R94.7Very high90.3Very high105 Ų10575.1 Ų75.140%0.39634%0.342SS..Hα-helixtrans-62.3-41.1176-175.158.3171.6-176.7-4.5112K182 E183 L184 Q189 V190 I333K182-R186 WeakPolarHBondContact O-CB 3.13Å; K182-R186 PolarHBondContact O-N 3.43Å; E183-R186 WeakPolarHBondContact O-CB 3.31Å; E183-R186 PolarHBondContact O-N 3.02Å; L184-R186 VanDerWaalsContact C-N 3.26Å; L184-R186 PolarHBondContact O-N 2.92Å; R186-Q189 PolarHBondContact O-N 3.09Å; R186-V190 VanDerWaalsContact O-CG2 3.26Å; R186-V190 WeakPolarHBondContact O-CG2 3.42Å; R186-V190 PolarHBondContact O-N 3.47Å; R186-I333 HydrophobicContact CB-CD1 4.34Å; R186-I333 HydrophobicContact CB-CG2 4.48Å; R186-I333 HydrophobicContact CG-CD1 3.85Å; R186-I333 HydrophobicContact CG-CG1 3.95Å; R186-I333 HydrophobicContact CG-CG2 4.14Å
187A95.1Very high90.6Very high3 Ų373.6 Ų73.63%0.02533%0.331CS..Hα-helixtrans-62.4-45.1176.200000111.5E183 L184 E185 V190 L191 P199 I333E183-A187 PolarHBondContact O-N 3.39Å; L184-A187 WeakPolarHBondContact O-CB 3Å; L184-A187 PolarHBondContact O-N 3.36Å; L184-A187 VanDerWaalsContact O-N 3.13Å; E185-A187 VanDerWaalsContact C-N 3.34Å; E185-A187 PolarHBondContact O-N 3.37Å; A187-V190 PolarHBondContact O-N 3.37Å; A187-L191 WeakPolarHBondContact O-CG 3.4Å; A187-L191 PolarHBondContact O-N 3.15Å; A187-P199 HydrophobicContact CB-CB 4.49Å; A187-I333 HydrophobicContact CB-CD1 4Å
188I94Very high90.9Very high16 Ų1671.4 Ų71.48%0.08232%0.319CS..Hα-helixtrans-59-50.8174.4-68.5167.2000110.6L184 E185 V190 L191 C192 L216 V225 P226 M229L184-I188 HydrophobicContact CG-CD1 4.41Å; L184-I188 WeakPolarHBondContact O-CG1 3.38Å; L184-I188 PolarHBondContact O-N 3.19Å; E185-I188 PolarHBondContact O-N 3.16Å; I188-V190 PolarHBondContact O-N 2.87Å; I188-L191 PolarHBondContact O-N 3.15Å; I188-L191 VanDerWaalsContact O-N 3.17Å; I188-C192 PolarHBondContact O-N 3.46Å; I188-C192 PolarHBondContact O-SG 3.44Å; I188-C192 VanDerWaalsContact O-SG 3.38Å; I188-L216 HydrophobicContact CD1-CD1 3.79Å; I188-L216 HydrophobicContact CG1-CD1 3.47Å; I188-L216 VanDerWaalsContact CG1-CD1 3.47Å; I188-V225 HydrophobicContact CD1-CG1 4.4Å; I188-P226 HydrophobicContact CG2-CG 4.03Å; I188-M229 HydrophobicContact CB-SD 4.39Å; I188-M229 HydrophobicContact CG1-SD 4.43Å; I188-M229 HydrophobicContact CG2-SD 3.83Å
189Q92.9Very high91.3Very high86 Ų8669 Ų6940%0.40231%0.307SS..Hα-helixtrans-55.5-41.4177.9-74.9174.58.900111.6E185 R186 R193E185-Q189 WeakPolarHBondContact O-CB 3.4Å; E185-Q189 VanDerWaalsContact O-CG 3.26Å; E185-Q189 WeakPolarHBondContact O-CG 3.19Å; E185-Q189 PolarHBondContact O-N 3.26Å; E185-Q189 PolarHBondContact OE1-NE2 3.35Å; R186-Q189 PolarHBondContact O-N 3.09Å; Q189-R193 VanDerWaalsContact O-CG 3.29Å; Q189-R193 WeakPolarHBondContact O-CG 3.34Å
190V93.6Very high91.7Very high1 Ų167.1 Ų67.11%0.00629%0.288CS..Hα-helixtrans-66.6-49.1177.4170.30000111.3R186 A187 I188 C192 R193 N197 P199 Q331 I333R186-V190 VanDerWaalsContact O-CG2 3.26Å; R186-V190 WeakPolarHBondContact O-CG2 3.42Å; R186-V190 PolarHBondContact O-N 3.47Å; A187-V190 PolarHBondContact O-N 3.37Å; I188-V190 PolarHBondContact O-N 2.87Å; V190-C192 PolarHBondContact O-N 3.43Å; V190-R193 WeakPolarHBondContact O-CB 3.42Å; V190-R193 WeakPolarHBondContact O-CG 3.32Å; V190-R193 PolarHBondContact O-N 2.95Å; V190-N197 VanDerWaalsContact O-CA 3.25Å; V190-N197 WeakPolarHBondContact O-CA 3.44Å; V190-P199 HydrophobicContact CB-CB 4.28Å; V190-P199 HydrophobicContact CG1-CB 3.94Å; V190-P199 HydrophobicContact CG1-CG 4.42Å; V190-Q331 HydrophobicContact CG1-CB 3.7Å; V190-Q331 HydrophobicContact CG1-CG 4.28Å; V190-Q331 HydrophobicContact CG2-CB 3.96Å; V190-Q331 HydrophobicContact CG2-CG 3.57Å; V190-I333 HydrophobicContact CG2-CD1 4.24Å
191L93.2Very high92Very high3 Ų365.8 Ų65.82%0.01628%0.283CS..Hα-helixtrans-58.7-31.3-179.8-73.7163.9000112.7A187 I188 R193 P199 L216 M229 I270 R306 I308A187-L191 WeakPolarHBondContact O-CG 3.4Å; A187-L191 PolarHBondContact O-N 3.15Å; I188-L191 PolarHBondContact O-N 3.15Å; I188-L191 VanDerWaalsContact O-N 3.17Å; L191-R193 VanDerWaalsContact C-N 3.32Å; L191-P199 HydrophobicContact CD1-CG 4.39Å; L191-P199 HydrophobicContact CD2-CG 4.01Å; L191-P199 HydrophobicContact CG-CG 3.94Å; L191-L216 HydrophobicContact CD1-CD2 3.6Å; L191-M229 HydrophobicContact CB-CE 4.27Å; L191-M229 HydrophobicContact CB-SD 4.31Å; L191-M229 HydrophobicContact CD1-CE 3.78Å; L191-I270 HydrophobicContact CD1-CD1 4.26Å; L191-I270 HydrophobicContact CD2-CD1 4.36Å; L191-I270 HydrophobicContact CD2-CG2 4.19Å; L191-R306 HydrophobicContact CD2-CB 4.29Å; L191-I308 HydrophobicContact CD1-CD1 4.11Å; L191-I308 HydrophobicContact CD1-CG1 4.4Å; L191-I308 HydrophobicContact CD2-CG1 4.21Å
192C90.3Very high92.2Very high61 Ų6159.8 Ų59.841%0.41225%0.254SS..THydrogen-bonded Turntrans-80.6-3.5176.5-66.80000114.4I188 V190 M229I188-C192 PolarHBondContact O-N 3.46Å; I188-C192 PolarHBondContact O-SG 3.44Å; I188-C192 VanDerWaalsContact O-SG 3.38Å; V190-C192 PolarHBondContact O-N 3.43Å; C192-M229 VanDerWaalsContact SG-SD 3.67Å
193R89Confident92.2Very high112 Ų11251.5 Ų51.542%0.42322%0.218SC..  trans-73.9152.5178.5-62.2177.576.7-177.25.5111Q189 V190 L191 R195 N197 Q331Q189-R193 VanDerWaalsContact O-CG 3.29Å; Q189-R193 WeakPolarHBondContact O-CG 3.34Å; V190-R193 WeakPolarHBondContact O-CB 3.42Å; V190-R193 WeakPolarHBondContact O-CG 3.32Å; V190-R193 PolarHBondContact O-N 2.95Å; L191-R193 VanDerWaalsContact C-N 3.32Å; R193-R195 WeakPolarHBondContact CB-O 3.3Å; R193-N197 HydrophobicContact CB-CB 4.36Å; R193-N197 WeakPolarHBondContact O-CB 3.48Å; R193-Q331 VanDerWaalsContact NH1-OE1 3.14Å
194R83.8Confident92Very high241 Ų24152.9 Ų52.991%0.90923%0.225SC*.SBendtrans-75.9-29.5171.6-172.9176.2179.6-173.42.7113.7
195R83Confident91.9Very high210 Ų21056.2 Ų56.279%0.79225%0.248SC*.SBendtrans-135.1147178.9-68.6-176.5177.61780.1108.4R193 N197R193-R195 WeakPolarHBondContact CB-O 3.3Å; R195-N197 VanDerWaalsContact C-N 3.35Å
196K85.5Confident91.6Very high85 Ų8552.4 Ų52.437%0.3724%0.238SC..SBendtrans54.852-171.8-67.6-174.7174.5-1640111.5R328 R329K196-R328 WeakPolarHBondContact CG-O 3.4Å; K196-R329 CarbonylContact C-O 3.6Å; K196-R329 VanDerWaalsContact CA-O 3.31Å; K196-R329 WeakPolarHBondContact CA-O 3.41Å
197N90.3Very high91.5Very high16 Ų1647.5 Ų47.59%0.08622%0.219CC..  trans-9815.4-172.466-36.5000113.8V190 R193 R195V190-N197 VanDerWaalsContact O-CA 3.25Å; V190-N197 WeakPolarHBondContact O-CA 3.44Å; R193-N197 HydrophobicContact CB-CB 4.36Å; R193-N197 WeakPolarHBondContact O-CB 3.48Å; R195-N197 VanDerWaalsContact C-N 3.35Å
198N94.4Very high91.4Very high0 Ų048.4 Ų48.40%023%0.229CC..EExtended strand (participates in β ladder)trans-113.4106.1179.6-54.5-66.6000107.8V307 R329 F330 Q331N198-V307 CarbonylContact C-O 3.53Å; N198-V307 WeakPolarHBondContact CA-O 3.42Å; N198-V307 VanDerWaalsContact CB-O 3.25Å; N198-V307 WeakPolarHBondContact CB-O 3.47Å; N198-V307 PolarHBondContact OD1-N 2.97Å; N198-R329 PolarHBondContact ND2-O 3.06Å; N198-R329 VanDerWaalsContact ND2-O 3.13Å; N198-F330 HydrophobicContact CB-CD1 3.54Å; N198-F330 HydrophobicContact CB-CE1 3.6Å; N198-F330 HydrophobicContact CB-CG 4.17Å; N198-F330 HydrophobicContact CB-CZ 4.24Å; N198-F330 CarbonylContact O-C 3.52Å; N198-F330 WeakPolarHBondContact O-CA 3.49Å; N198-F330 WeakPolarHBondContact O-CD1 3.35Å; N198-Q331 PolarHBondContact O-N 3.1Å
199P96.1Very high91.3Very high0 Ų048.5 Ų48.50%023%0.229CC..EExtended strand (participates in β ladder)trans-68.5136.117528.4-34.5000110.3A187 V190 L191 V307 I308 G309 I333A187-P199 HydrophobicContact CB-CB 4.49Å; V190-P199 HydrophobicContact CB-CB 4.28Å; V190-P199 HydrophobicContact CG1-CB 3.94Å; V190-P199 HydrophobicContact CG1-CG 4.42Å; L191-P199 HydrophobicContact CD1-CG 4.39Å; L191-P199 HydrophobicContact CD2-CG 4.01Å; L191-P199 HydrophobicContact CG-CG 3.94Å; P199-V307 WeakPolarHBondContact CD-O 3.26Å; P199-I308 HydrophobicContact CG-CB 4.21Å; P199-I308 HydrophobicContact CG-CG1 3.77Å; P199-I308 HydrophobicContact CG-CG2 4.15Å; P199-I308 WeakPolarHBondContact O-CA 3.18Å; P199-G309 PolarHBondContact O-N 3.41Å; P199-I333 HydrophobicContact CB-CD1 3.62Å; P199-I333 HydrophobicContact CB-CG1 4.45Å
200L95.5Very high91.3Very high1 Ų146.6 Ų46.61%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-114.6107.1170.3-17467.7000107.8V202 I276 G309 T311 F316 F320 F330 Q331 I333L200-V202 HydrophobicContact CD2-CG2 4.02Å; L200-V202 HydrophobicContact CG-CG2 3.83Å; L200-V202 PolarHBondContact O-N 3.24Å; L200-I276 HydrophobicContact CD1-CG2 3.75Å; L200-G309 CarbonylContact C-O 3.54Å; L200-G309 WeakPolarHBondContact CA-O 3.26Å; L200-T311 HydrophobicContact CD1-CG2 3.93Å; L200-T311 HydrophobicContact CD2-CG2 4.21Å; L200-T311 HydrophobicContact CG-CG2 4.05Å; L200-F316 HydrophobicContact CD2-CD2 3.58Å; L200-F316 HydrophobicContact CD2-CE2 3.77Å; L200-F320 HydrophobicContact CD1-CE1 4.21Å; L200-F320 HydrophobicContact CD1-CE2 4.41Å; L200-F320 HydrophobicContact CD1-CZ 3.97Å; L200-F320 HydrophobicContact CD2-CD1 3.78Å; L200-F320 HydrophobicContact CD2-CD2 4.3Å; L200-F320 HydrophobicContact CD2-CE1 3.94Å; L200-F320 HydrophobicContact CD2-CE2 4.45Å; L200-F320 HydrophobicContact CD2-CG 3.96Å; L200-F320 HydrophobicContact CD2-CZ 4.26Å; L200-F330 HydrophobicContact CB-CB 4Å; L200-F330 HydrophobicContact CB-CD1 3.87Å; L200-F330 HydrophobicContact CB-CG 4.25Å; L200-F330 HydrophobicContact CD1-CD1 4.29Å; L200-F330 HydrophobicContact CD2-CB 4.37Å; L200-Q331 PolarHBondContact N-O 3.42Å; L200-I333 PolarHBondContact O-N 3Å
201L96.9Very high91.3Very high0 Ų048.2 Ų48.20%024%0.237CC..EExtended strand (participates in β ladder)trans-76.8106.6177.6-53179.6000108K209 I212 I308 G309 S310 T311 I333 I335L201-K209 HydrophobicContact CB-CB 4.42Å; L201-K209 HydrophobicContact CB-CG 4.49Å; L201-K209 WeakPolarHBondContact CD1-O 3.29Å; L201-I212 HydrophobicContact CD1-CB 4.15Å; L201-I212 HydrophobicContact CD1-CG2 4.21Å; L201-I212 HydrophobicContact CD2-CG2 4.36Å; L201-I308 HydrophobicContact CD1-CG2 4Å; L201-I308 HydrophobicContact CG-CG2 4.19Å; L201-G309 PolarHBondContact N-O 2.69Å; L201-S310 WeakPolarHBondContact O-CA 3.45Å; L201-T311 PolarHBondContact O-N 2.92Å; L201-I333 HydrophobicContact CD2-CB 4.28Å; L201-I333 HydrophobicContact CD2-CD1 4.35Å; L201-I335 HydrophobicContact CB-CG1 4.17Å; L201-I335 HydrophobicContact CD2-CD1 4.23Å; L201-I335 HydrophobicContact CD2-CG1 4.49Å
202V94.4Very high91.3Very high0 Ų048.2 Ų48.20%024%0.237CC..EExtended strand (participates in β ladder)trans-111.5119-177.6-175.40000109L200 T311 Y313 F316 K332 I333 D334 I335L200-V202 HydrophobicContact CD2-CG2 4.02Å; L200-V202 HydrophobicContact CG-CG2 3.83Å; L200-V202 PolarHBondContact O-N 3.24Å; V202-T311 WeakPolarHBondContact CA-O 3.36Å; V202-T311 HydrophobicContact CG2-CG2 3.86Å; V202-Y313 HydrophobicContact CG1-CD1 3.62Å; V202-Y313 HydrophobicContact CG1-CE1 3.8Å; V202-Y313 HydrophobicContact CG1-CG 4.11Å; V202-F316 HydrophobicContact CG1-CB 3.89Å; V202-F316 HydrophobicContact CG1-CG 4.16Å; V202-F316 HydrophobicContact CG2-CB 4.32Å; V202-F316 HydrophobicContact CG2-CD2 3.87Å; V202-F316 HydrophobicContact CG2-CE2 4.49Å; V202-F316 HydrophobicContact CG2-CG 4.11Å; V202-K332 HydrophobicContact CB-CG 4.19Å; V202-K332 HydrophobicContact CG2-CD 4.44Å; V202-K332 HydrophobicContact CG2-CG 3.8Å; V202-I333 PolarHBondContact N-O 3.12Å; V202-D334 WeakPolarHBondContact O-CA 3.44Å; V202-I335 PolarHBondContact O-N 2.95Å
203G92.4Very high91.5Very high0 Ų045.3 Ų45.30%022%0.217CC..  trans-174.2165.5-179.900000111K209 T311 T312 I335G203-K209 PolarHBondContact O-NZ 3.27Å; G203-T311 PolarHBondContact N-O 3.47Å; G203-T312 WeakPolarHBondContact O-CA 3.35Å; G203-I335 WeakPolarHBondContact CA-O 3.29Å
204E90.6Very high91.8Very high61 Ų6142.6 Ų42.629%0.28521%0.21SC..  trans-60.2163.7177.8-63.9-60.8152.200112.3V207 K209 Y313 H382E204-V207 HydrophobicContact CB-CG1 3.99Å; E204-V207 WeakPolarHBondContact O-CG2 3.27Å; E204-K209 PolarHBondContact O-NZ 3.28Å; E204-Y313 HydrophobicContact CG-CD2 4.33Å; E204-H382 WeakPolarHBondContact CB-ND1 3.43Å
205S89.8Confident92.2Very high72 Ų7231.3 Ų31.350%0.50317%0.168SC..THydrogen-bonded Turntrans-69140.8175.3-64.50000110.8
206G89.2Confident92.8Very high27 Ų2721.3 Ų21.328%0.27813%0.13SC..THydrogen-bonded Turntrans86-3.6-178.100000116.1G208 P384 D385G206-G208 PolarHBondContact O-N 3.25Å; G206-P384 VanDerWaalsContact O-CD 3.29Å; G206-P384 WeakPolarHBondContact O-CD 3.4Å; G206-D385 VanDerWaalsContact O-CB 3.31Å; G206-D385 WeakPolarHBondContact O-CB 3.47Å; G206-D385 PolarHBondContact O-N 2.81Å
207V92.2Very high93.2Very high2 Ų217.3 Ų17.31%0.01211%0.113CC..SBendtrans-76.4-5-178.6-560000115.1R180 E204 K209 I335 H382 L383R180-V207 PolarHBondContact NH2-O 2.92Å; E204-V207 HydrophobicContact CB-CG1 3.99Å; E204-V207 WeakPolarHBondContact O-CG2 3.27Å; V207-K209 HydrophobicContact CG2-CG 3.88Å; V207-I335 HydrophobicContact CB-CG2 4.33Å; V207-I335 HydrophobicContact CG2-CB 4.14Å; V207-I335 HydrophobicContact CG2-CG2 3.62Å; V207-H382 HydrophobicContact CG1-CB 3.98Å; V207-L383 WeakPolarHBondContact CA-O 3.41Å
208G91.6Very high93.3Very high22 Ų2221.4 Ų21.423%0.22713%0.127CC..SBendtrans93.93418000000115.5G206 A211 I212G206-G208 PolarHBondContact O-N 3.25Å; G208-A211 PolarHBondContact O-N 3.09Å; G208-I212 PolarHBondContact O-N 3.14Å
209K93.7Very high93.2Very high19 Ų1923.2 Ų23.28%0.08313%0.134CC..Hα-helixtrans-60.5-49.3177.4-61.6-175.8-68.1-101.90112L201 G203 E204 V207 A211 I212L201-K209 HydrophobicContact CB-CB 4.42Å; L201-K209 HydrophobicContact CB-CG 4.49Å; L201-K209 WeakPolarHBondContact CD1-O 3.29Å; G203-K209 PolarHBondContact O-NZ 3.27Å; E204-K209 PolarHBondContact O-NZ 3.28Å; V207-K209 HydrophobicContact CG2-CG 3.88Å; K209-A211 VanDerWaalsContact C-N 3.32Å; K209-A211 PolarHBondContact O-N 2.9Å; K209-I212 WeakPolarHBondContact O-CB 3.46Å; K209-I212 PolarHBondContact O-N 3.18Å
210T92.4Very high93Very high45 Ų4523.7 Ų23.728%0.27614%0.136SC..Hα-helixtrans-62.5-40.1178-45.10000111.2I212 A213 E214 F272 D274T210-I212 PolarHBondContact O-N 3.1Å; T210-A213 WeakPolarHBondContact O-CB 3.14Å; T210-A213 PolarHBondContact O-N 2.68Å; T210-E214 PolarHBondContact O-N 3.25Å; T210-F272 HydrophobicContact CG2-CE1 3.92Å; T210-F272 HydrophobicContact CG2-CZ 4.16Å; T210-D274 PolarHBondContact OG1-OD2 3.37Å
211A92.7Very high92.9Very high36 Ų3625.6 Ų25.630%0.29815%0.148SC..Hα-helixtrans-59.2-29.8175.900000113.4L177 G208 K209 G215L177-A211 HydrophobicContact CD1-CB 4.08Å; G208-A211 PolarHBondContact O-N 3.09Å; K209-A211 VanDerWaalsContact C-N 3.32Å; K209-A211 PolarHBondContact O-N 2.9Å; A211-G215 WeakPolarHBondContact O-CA 3.43Å; A211-G215 PolarHBondContact O-N 3.1Å
212I94.3Very high92.5Very high2 Ų231 Ų311%0.0117%0.173CC..Hα-helixtrans-69.6-40.7174.7-66.4168.6000111.1E183 L184 L201 G208 K209 T210 L216 I335E183-I212 HydrophobicContact CB-CD1 4.14Å; L184-I212 HydrophobicContact CD1-CG2 4.2Å; L201-I212 HydrophobicContact CD1-CB 4.15Å; L201-I212 HydrophobicContact CD1-CG2 4.21Å; L201-I212 HydrophobicContact CD2-CG2 4.36Å; G208-I212 PolarHBondContact O-N 3.14Å; K209-I212 WeakPolarHBondContact O-CB 3.46Å; K209-I212 PolarHBondContact O-N 3.18Å; T210-I212 PolarHBondContact O-N 3.1Å; I212-L216 WeakPolarHBondContact O-CB 3.32Å; I212-L216 PolarHBondContact O-N 2.98Å; I212-I335 HydrophobicContact CD1-CD1 3.43Å; I212-I335 VanDerWaalsContact CD1-CD1 3.43Å; I212-I335 HydrophobicContact CD1-CG1 3.95Å; I212-I335 HydrophobicContact CD1-CG2 4.06Å
213A94.2Very high92.3Very high1 Ų133.5 Ų33.51%0.00820%0.199CC..Hα-helixtrans-67-42.617700000111.4T210 L216 A217 F272T210-A213 WeakPolarHBondContact O-CB 3.14Å; T210-A213 PolarHBondContact O-N 2.68Å; A213-L216 WeakPolarHBondContact O-CB 3.49Å; A213-L216 PolarHBondContact O-N 3.49Å; A213-A217 PolarHBondContact O-N 2.97Å; A213-A217 VanDerWaalsContact O-N 3.1Å; A213-F272 HydrophobicContact CB-CD1 4.22Å; A213-F272 HydrophobicContact CB-CD2 3.52Å; A213-F272 HydrophobicContact CB-CE1 4.36Å; A213-F272 HydrophobicContact CB-CE2 3.67Å; A213-F272 HydrophobicContact CB-CG 3.81Å; A213-F272 HydrophobicContact CB-CZ 4.1Å
214E94.3Very high92.2Very high55 Ų5538 Ų3826%0.25722%0.223SC..Hα-helixtrans-64.9-43.1174.4-71.5-179.7163.800112.4L165 I174 T210 L216 A217 W218L165-E214 HydrophobicContact CD1-CG 4.38Å; I174-E214 HydrophobicContact CD1-CB 3.95Å; I174-E214 HydrophobicContact CD1-CG 4.16Å; I174-E214 HydrophobicContact CG1-CB 4.41Å; I174-E214 HydrophobicContact CG2-CB 3.73Å; T210-E214 PolarHBondContact O-N 3.25Å; E214-L216 VanDerWaalsContact C-N 3.28Å; E214-L216 PolarHBondContact O-N 3.14Å; E214-A217 WeakPolarHBondContact O-CB 3.47Å; E214-A217 PolarHBondContact O-N 2.92Å; E214-A217 VanDerWaalsContact O-N 3.14Å; E214-W218 PolarHBondContact O-N 3.17Å
215G93.2Very high92.2Very high3 Ų336.1 Ų36.13%0.03122%0.216CC..Hα-helixtrans-62.7-34.3175.100000112.7A211 W218 R219A211-G215 WeakPolarHBondContact O-CA 3.43Å; A211-G215 PolarHBondContact O-N 3.1Å; G215-W218 PolarHBondContact O-N 3.45Å; G215-R219 PolarHBondContact O-N 3.49Å
216L94.8Very high92.2Very high1 Ų135.7 Ų35.71%0.00521%0.211CC..Hα-helixtrans-64.9-45.8171.1-175.659.1000111.6L184 I188 L191 I212 A213 E214 W218 R219 I220 V225 M229 I234 I308L184-L216 HydrophobicContact CD1-CB 3.64Å; L184-L216 HydrophobicContact CD1-CD1 3.94Å; L184-L216 HydrophobicContact CD1-CG 4.31Å; I188-L216 HydrophobicContact CD1-CD1 3.79Å; I188-L216 HydrophobicContact CG1-CD1 3.47Å; I188-L216 VanDerWaalsContact CG1-CD1 3.47Å; L191-L216 HydrophobicContact CD1-CD2 3.6Å; I212-L216 WeakPolarHBondContact O-CB 3.32Å; I212-L216 PolarHBondContact O-N 2.98Å; A213-L216 WeakPolarHBondContact O-CB 3.49Å; A213-L216 PolarHBondContact O-N 3.49Å; E214-L216 VanDerWaalsContact C-N 3.28Å; E214-L216 PolarHBondContact O-N 3.14Å; L216-W218 VanDerWaalsContact C-N 3.26Å; L216-W218 PolarHBondContact O-N 2.71Å; L216-R219 PolarHBondContact O-N 3.24Å; L216-I220 HydrophobicContact CG-CD1 4.2Å; L216-I220 WeakPolarHBondContact O-CG1 3.36Å; L216-I220 PolarHBondContact O-N 3.41Å; L216-V225 HydrophobicContact CD1-CG1 4.44Å; L216-M229 HydrophobicContact CD1-CE 4.32Å; L216-M229 HydrophobicContact CD2-CE 4.28Å; L216-I234 HydrophobicContact CB-CD1 3.92Å; L216-I234 HydrophobicContact CD2-CD1 3.67Å; L216-I234 HydrophobicContact CG-CD1 3.63Å; L216-I308 HydrophobicContact CD2-CD1 3.87Å
217A94.4Very high92.1Very high0 Ų043 Ų430%024%0.238CC..Hα-helixtrans-59.8-40.6177.100000111.3L165 I174 A213 E214 I220 V221 I234L165-A217 HydrophobicContact CB-CB 3.59Å; I174-A217 HydrophobicContact CD1-CB 4.37Å; A213-A217 PolarHBondContact O-N 2.97Å; A213-A217 VanDerWaalsContact O-N 3.1Å; E214-A217 WeakPolarHBondContact O-CB 3.47Å; E214-A217 PolarHBondContact O-N 2.92Å; E214-A217 VanDerWaalsContact O-N 3.14Å; A217-I220 PolarHBondContact O-N 3.39Å; A217-V221 WeakPolarHBondContact O-CG2 3.36Å; A217-V221 PolarHBondContact O-N 3.36Å; A217-V221 VanDerWaalsContact O-N 3.15Å; A217-I234 HydrophobicContact CB-CB 4.41Å; A217-I234 HydrophobicContact CB-CD1 4.11Å
218W92.8Very high91.8Very high103 Ų10348.1 Ų48.139%0.3927%0.269SS..Hα-helixtrans-62.4-46.6174.4-173.888.2000112.4A169 E214 G215 L216 I220 V221 Q222A169-W218 HydrophobicContact CB-CB 4.28Å; E214-W218 PolarHBondContact O-N 3.17Å; G215-W218 PolarHBondContact O-N 3.45Å; L216-W218 VanDerWaalsContact C-N 3.26Å; L216-W218 PolarHBondContact O-N 2.71Å; W218-I220 VanDerWaalsContact C-N 3.33Å; W218-I220 PolarHBondContact O-N 3.25Å; W218-V221 PolarHBondContact O-N 3.15Å; W218-V221 VanDerWaalsContact O-N 3.15Å; W218-Q222 HydrophobicContact CD2-CG 3.87Å; W218-Q222 HydrophobicContact CE3-CG 3.93Å; W218-Q222 HydrophobicContact CH2-CG 3.71Å; W218-Q222 HydrophobicContact CZ2-CG 3.63Å; W218-Q222 HydrophobicContact CZ3-CG 3.85Å; W218-Q222 WeakPolarHBondContact O-CG 3.45Å; W218-Q222 PolarHBondContact O-N 3.29Å
219R91.2Very high91.7Very high38 Ų3847 Ų4714%0.14326%0.258CS..Hα-helixtrans-61.4-38.9176.7-77.9-159.3-179.3168.7-4.7113.1E181 L184 G215 L216 V221 Q222 G223 D224 V225E181-R219 IonicContact OE1-NH2 3.72Å; E181-R219 PolarHBondContact OE1-NH2 3.16Å; L184-R219 HydrophobicContact CD2-CG 4.21Å; L184-R219 VanDerWaalsContact CD2-CZ 3.42Å; G215-R219 PolarHBondContact O-N 3.49Å; L216-R219 PolarHBondContact O-N 3.24Å; R219-V221 VanDerWaalsContact C-N 3.31Å; R219-V221 PolarHBondContact O-N 3.26Å; R219-Q222 PolarHBondContact O-N 3.16Å; R219-G223 PolarHBondContact O-N 3.35Å; R219-D224 HydrophobicContact CB-CB 4.39Å; R219-D224 WeakPolarHBondContact CD-OD2 3.28Å; R219-D224 HydrophobicContact CG-CB 4.4Å; R219-D224 IonicContact CZ-OD2 3.41Å; R219-D224 IonicContact NE-OD2 3.89Å; R219-D224 PolarHBondContact NE-OD2 3.38Å; R219-D224 PolarHBondContact O-N 3.08Å; R219-V225 HydrophobicContact CB-CG1 3.9Å
220I93.2Very high91.4Very high9 Ų948.3 Ų48.35%0.04627%0.272CS..Hα-helixtrans-59.6-45.2175.1-65.3164.5000110.2L216 A217 W218 Q222 G223 V225 C232 I234L216-I220 HydrophobicContact CG-CD1 4.2Å; L216-I220 WeakPolarHBondContact O-CG1 3.36Å; L216-I220 PolarHBondContact O-N 3.41Å; A217-I220 PolarHBondContact O-N 3.39Å; W218-I220 VanDerWaalsContact C-N 3.33Å; W218-I220 PolarHBondContact O-N 3.25Å; I220-Q222 VanDerWaalsContact C-N 3.32Å; I220-Q222 PolarHBondContact O-N 3.46Å; I220-G223 PolarHBondContact O-N 3.34Å; I220-G223 VanDerWaalsContact O-N 3.1Å; I220-V225 HydrophobicContact CB-CG2 4.47Å; I220-V225 HydrophobicContact CG1-CG1 3.86Å; I220-V225 HydrophobicContact CG1-CG2 4.17Å; I220-C232 HydrophobicContact CD1-CB 4.19Å; I220-C232 WeakPolarHBondContact CG2-O 3.45Å; I220-I234 HydrophobicContact CD1-CD1 3.74Å; I220-I234 HydrophobicContact CD1-CG1 3.94Å
221V92.2Very high91.2Very high42 Ų4252.2 Ų52.226%0.25529%0.291SS..Hα-helixtrans-64.9-34.4177.9170.80000112.8N166 A169 R170 A217 W218 R219 G223N166-V221 HydrophobicContact CB-CG2 4.02Å; N166-V221 WeakPolarHBondContact O-CG2 3.5Å; A169-V221 HydrophobicContact CB-CB 4.4Å; A169-V221 HydrophobicContact CB-CG2 4.01Å; R170-V221 HydrophobicContact CG-CB 4.43Å; R170-V221 HydrophobicContact CG-CG1 3.55Å; R170-V221 HydrophobicContact CG-CG2 3.92Å; A217-V221 WeakPolarHBondContact O-CG2 3.36Å; A217-V221 PolarHBondContact O-N 3.36Å; A217-V221 VanDerWaalsContact O-N 3.15Å; W218-V221 PolarHBondContact O-N 3.15Å; W218-V221 VanDerWaalsContact O-N 3.15Å; R219-V221 VanDerWaalsContact C-N 3.31Å; R219-V221 PolarHBondContact O-N 3.26Å; V221-G223 VanDerWaalsContact C-N 3.26Å; V221-G223 PolarHBondContact O-N 2.84Å
222Q89.5Confident91.3Very high112 Ų11250.6 Ų50.652%0.52328%0.278SS..Hα-helixtrans-77.9-8.3175.3-61.6-52-50.100113.7W218 R219 I220 D224W218-Q222 HydrophobicContact CD2-CG 3.87Å; W218-Q222 HydrophobicContact CE3-CG 3.93Å; W218-Q222 HydrophobicContact CH2-CG 3.71Å; W218-Q222 HydrophobicContact CZ2-CG 3.63Å; W218-Q222 HydrophobicContact CZ3-CG 3.85Å; W218-Q222 WeakPolarHBondContact O-CG 3.45Å; W218-Q222 PolarHBondContact O-N 3.29Å; R219-Q222 PolarHBondContact O-N 3.16Å; I220-Q222 VanDerWaalsContact C-N 3.32Å; I220-Q222 PolarHBondContact O-N 3.46Å; Q222-D224 PolarHBondContact O-N 3.4Å
223G89.1Confident91.3Very high53 Ų5351.8 Ų51.855%0.54629%0.285SS..THydrogen-bonded Turntrans72.213.8-17300000114.1R219 I220 V221 V225R219-G223 PolarHBondContact O-N 3.35Å; I220-G223 PolarHBondContact O-N 3.34Å; I220-G223 VanDerWaalsContact O-N 3.1Å; V221-G223 VanDerWaalsContact C-N 3.26Å; V221-G223 PolarHBondContact O-N 2.84Å; G223-V225 PolarHBondContact O-N 3.25Å; G223-V225 VanDerWaalsContact O-N 3.12Å
224D90Very high91.3Very high96 Ų9651.8 Ų51.851%0.51329%0.285SS..  trans-87.547.9177.6-172.334.8000111.2R219 Q222R219-D224 HydrophobicContact CB-CB 4.39Å; R219-D224 WeakPolarHBondContact CD-OD2 3.28Å; R219-D224 HydrophobicContact CG-CB 4.4Å; R219-D224 IonicContact CZ-OD2 3.41Å; R219-D224 IonicContact NE-OD2 3.89Å; R219-D224 PolarHBondContact NE-OD2 3.38Å; R219-D224 PolarHBondContact O-N 3.08Å; Q222-D224 PolarHBondContact O-N 3.4Å
225V91.1Very high91.4Very high21 Ų2150.8 Ų50.813%0.12728%0.279CS..SBendtrans-140.1156.4177.3-67.10000109.6I188 L216 R219 I220 G223 M229I188-V225 HydrophobicContact CD1-CG1 4.4Å; L216-V225 HydrophobicContact CD1-CG1 4.44Å; R219-V225 HydrophobicContact CB-CG1 3.9Å; I220-V225 HydrophobicContact CB-CG2 4.47Å; I220-V225 HydrophobicContact CG1-CG1 3.86Å; I220-V225 HydrophobicContact CG1-CG2 4.17Å; G223-V225 PolarHBondContact O-N 3.25Å; G223-V225 VanDerWaalsContact O-N 3.12Å; V225-M229 HydrophobicContact CB-CB 4.22Å; V225-M229 HydrophobicContact CG2-CB 4.16Å
226P89.5Confident91.4Very high63 Ų6351.9 Ų51.941%0.40929%0.287SS..  trans-56149.2173-24.134.6000111.7I188 V228 M229 A230I188-P226 HydrophobicContact CG2-CG 4.03Å; P226-V228 HydrophobicContact CB-CG2 3.9Å; P226-V228 PolarHBondContact O-N 3.5Å; P226-M229 WeakPolarHBondContact O-CA 3.48Å; P226-M229 PolarHBondContact O-N 2.91Å; P226-A230 PolarHBondContact O-N 3.1Å
227E88Confident91.2Very high181 Ų18152.4 Ų52.485%0.84629%0.289SS*.Hα-helixtrans-51.2-35.9-177.2-65.4179.9172.800113.3M229 A230E227-M229 PolarHBondContact O-N 3.26Å; E227-A230 WeakPolarHBondContact O-CB 3.38Å; E227-A230 PolarHBondContact O-N 2.89Å; E227-A230 VanDerWaalsContact O-N 3.14Å
228V86.5Confident90.8Very high108 Ų10855.4 Ų55.466%0.65531%0.305SS*.Hα-helixtrans-61.4-14.1176.3-68.80000114.8P226P226-V228 HydrophobicContact CB-CG2 3.9Å; P226-V228 PolarHBondContact O-N 3.5Å
229M88.7Confident90.3Very high0 Ų052.6 Ų52.60%030%0.297CS..Hα-helixtrans-117.7-1.7178.4-70.3-17068.400113.7I188 L191 C192 L216 V225 P226 E227 D231 C232 I270I188-M229 HydrophobicContact CB-SD 4.39Å; I188-M229 HydrophobicContact CG1-SD 4.43Å; I188-M229 HydrophobicContact CG2-SD 3.83Å; L191-M229 HydrophobicContact CB-CE 4.27Å; L191-M229 HydrophobicContact CB-SD 4.31Å; L191-M229 HydrophobicContact CD1-CE 3.78Å; C192-M229 VanDerWaalsContact SG-SD 3.67Å; L216-M229 HydrophobicContact CD1-CE 4.32Å; L216-M229 HydrophobicContact CD2-CE 4.28Å; V225-M229 HydrophobicContact CB-CB 4.22Å; V225-M229 HydrophobicContact CG2-CB 4.16Å; P226-M229 WeakPolarHBondContact O-CA 3.48Å; P226-M229 PolarHBondContact O-N 2.91Å; E227-M229 PolarHBondContact O-N 3.26Å; M229-D231 VanDerWaalsContact C-N 3.26Å; M229-D231 PolarHBondContact O-N 3Å; M229-C232 VanDerWaalsContact O-CB 3.31Å; M229-C232 WeakPolarHBondContact O-CB 3.35Å; M229-C232 PolarHBondContact O-N 3.17Å; M229-C232 VanDerWaalsContact O-N 3.09Å; M229-I270 HydrophobicContact CE-CD1 3.92Å
230A87.1Confident89.4Confident46 Ų4652.3 Ų52.338%0.3831%0.307SS..Hα-helixtrans-59.6-37.6-175.500000112.5P226 E227P226-A230 PolarHBondContact O-N 3.1Å; E227-A230 WeakPolarHBondContact O-CB 3.38Å; E227-A230 PolarHBondContact O-N 2.89Å; E227-A230 VanDerWaalsContact O-N 3.14Å
231D89.3Confident88.7Confident126 Ų12653.9 Ų53.967%0.67432%0.318SS*.THydrogen-bonded Turntrans-92.57.3-179.7-60.4-41000113.7M229 N268M229-D231 VanDerWaalsContact C-N 3.26Å; M229-D231 PolarHBondContact O-N 3Å; D231-N268 WeakPolarHBondContact CB-ND2 3.23Å; D231-N268 WeakPolarHBondContact O-CB 3.44Å
232C93.3Very high87.9Confident2 Ų251.9 Ų51.91%0.01431%0.306CS..  trans-73.6143.2-177.4-740000112.4N166 I220 M229 N268 I270 R306N166-C232 PolarHBondContact ND2-O 2.82Å; I220-C232 HydrophobicContact CD1-CB 4.19Å; I220-C232 WeakPolarHBondContact CG2-O 3.45Å; M229-C232 VanDerWaalsContact O-CB 3.31Å; M229-C232 WeakPolarHBondContact O-CB 3.35Å; M229-C232 PolarHBondContact O-N 3.17Å; M229-C232 VanDerWaalsContact O-N 3.09Å; C232-N268 CarbonylContact C-O 3.52Å; C232-N268 WeakPolarHBondContact CA-O 3.27Å; C232-I270 HydrophobicContact CB-CD1 4.04Å; C232-R306 PolarHBondContact SG-NH2 2.98Å
233T94.2Very high87.1Confident28 Ų2850.1 Ų50.117%0.17230%0.3CS..EExtended strand (participates in β ladder)trans-118.9128172.8-55.10000110.6N164 N166 Y235 N268 S269 I270N164-T233 WeakPolarHBondContact ND2-CG2 3.31Å; N166-T233 HydrophobicContact CB-CG2 4.4Å; T233-Y235 HydrophobicContact CG2-CD1 4.47Å; T233-Y235 HydrophobicContact CG2-CD2 4.32Å; T233-Y235 HydrophobicContact CG2-CE1 3.81Å; T233-Y235 HydrophobicContact CG2-CE2 3.67Å; T233-Y235 WeakPolarHBondContact CG2-OH 3.23Å; T233-N268 PolarHBondContact N-O 3.01Å; T233-S269 WeakPolarHBondContact O-CA 3.36Å; T233-I270 PolarHBondContact O-N 2.92Å
234I95.3Very high86.1Confident0 Ų049.7 Ų49.70%029%0.291CS..EExtended strand (participates in β ladder)trans-97.7123.2178.2-53.3-178.3000109.6L165 N166 L216 A217 I220 I270 F272L165-I234 HydrophobicContact CB-CB 4.32Å; L165-I234 HydrophobicContact CB-CG2 4.45Å; L165-I234 HydrophobicContact CD1-CG2 3.79Å; L165-I234 HydrophobicContact CG-CG2 4.37Å; L165-I234 PolarHBondContact N-O 3.25Å; N166-I234 PolarHBondContact OD1-N 3.25Å; L216-I234 HydrophobicContact CB-CD1 3.92Å; L216-I234 HydrophobicContact CD2-CD1 3.67Å; L216-I234 HydrophobicContact CG-CD1 3.63Å; A217-I234 HydrophobicContact CB-CB 4.41Å; A217-I234 HydrophobicContact CB-CD1 4.11Å; I220-I234 HydrophobicContact CD1-CD1 3.74Å; I220-I234 HydrophobicContact CD1-CG1 3.94Å; I234-I270 CarbonylContact C-O 3.26Å; I234-I270 WeakPolarHBondContact CA-O 3.39Å; I234-I270 HydrophobicContact CG1-CB 4.23Å; I234-I270 HydrophobicContact CG1-CD1 4.46Å; I234-F272 HydrophobicContact CG2-CB 4.13Å
235Y95.2Very high84.8Confident35 Ų3547 Ų4714%0.13729%0.286CS..EExtended strand (participates in β ladder)trans-110.6123.1177.2-63.1-75.2000109.7M158 N164 T233 L263 I270 L271 F272M158-Y235 HydrophobicContact CE-CD1 3.36Å; M158-Y235 HydrophobicContact CE-CD2 4.14Å; M158-Y235 HydrophobicContact CE-CE1 3.17Å; M158-Y235 HydrophobicContact CE-CE2 3.96Å; M158-Y235 HydrophobicContact CE-CG 3.85Å; M158-Y235 VanDerWaalsContact CE-CZ 3.48Å; M158-Y235 HydrophobicContact SD-CD1 4.35Å; M158-Y235 HydrophobicContact SD-CG 4.49Å; N164-Y235 HydrophobicContact CB-CD1 4.15Å; N164-Y235 HydrophobicContact CB-CE1 4.02Å; T233-Y235 HydrophobicContact CG2-CD1 4.47Å; T233-Y235 HydrophobicContact CG2-CD2 4.32Å; T233-Y235 HydrophobicContact CG2-CE1 3.81Å; T233-Y235 HydrophobicContact CG2-CE2 3.67Å; T233-Y235 WeakPolarHBondContact CG2-OH 3.23Å; Y235-L263 HydrophobicContact CD2-CD2 3.98Å; Y235-L263 HydrophobicContact CE2-CD2 4.42Å; Y235-I270 PolarHBondContact N-O 2.97Å; Y235-L271 CarbonylContact O-C 3.59Å; Y235-L271 WeakPolarHBondContact O-CA 3.38Å; Y235-F272 PolarHBondContact O-N 3.42Å
236S94.2Very high83.7Confident26 Ų2647.5 Ų47.518%0.18229%0.289CS..EExtended strand (participates in β ladder)trans-85126.5171.3-172.70000109.6T162 T163T162-S236 CarbonylContact C-O 3.4Å; T162-S236 WeakPolarHBondContact CA-O 3.12Å; T162-S236 WeakPolarHBondContact CB-O 3.32Å; T163-S236 PolarHBondContact N-O 3.47Å; T163-S236 PolarHBondContact O-N 2.84Å
237L91.2Very high82.3Confident11 Ų1151.8 Ų51.86%0.05830%0.302CS..EExtended strand (participates in β ladder)trans-76.7125.2177.2-172.367.2000110.9T162 I239 L242 F256 L259 L271 F272 I273 I279T162-L237 HydrophobicContact CG2-CD1 4.31Å; L237-I239 HydrophobicContact CD2-CG1 4.37Å; L237-L242 HydrophobicContact CD1-CD1 3.56Å; L237-L242 HydrophobicContact CD2-CD1 4.27Å; L237-L242 HydrophobicContact CG-CD1 4.04Å; L237-F256 HydrophobicContact CD1-CE2 4.26Å; L237-F256 HydrophobicContact CD2-CE2 3.74Å; L237-F256 HydrophobicContact CD2-CZ 4.42Å; L237-L259 HydrophobicContact CD1-CD1 3.73Å; L237-L259 HydrophobicContact CD1-CD2 4.3Å; L237-L271 HydrophobicContact CB-CD1 4.07Å; L237-L271 HydrophobicContact CD1-CD1 4.43Å; L237-F272 PolarHBondContact N-O 3.29Å; L237-I273 HydrophobicContact CB-CG1 4.26Å; L237-I273 HydrophobicContact CD2-CD1 4.26Å; L237-I273 HydrophobicContact CD2-CG1 4.09Å; L237-I273 HydrophobicContact CD2-CG2 4.24Å; L237-I279 HydrophobicContact CD2-CD1 3.54Å
238D86Confident81.3Confident63 Ų6350 Ų5034%0.33729%0.288SS..  trans-97.7101.7169.8-177.5-1.4000110.4F161 G240 S241 L242F161-D238 PolarHBondContact O-N 3.28Å; F161-D238 VanDerWaalsContact O-N 3.1Å; D238-G240 VanDerWaalsContact C-N 3.26Å; D238-G240 PolarHBondContact O-N 2.73Å; D238-G240 WeakPolarHBondContact OD1-CA 3.45Å; D238-G240 PolarHBondContact OD1-N 3.33Å; D238-S241 PolarHBondContact O-N 2.86Å; D238-S241 PolarHBondContact OD1-N 3.47Å; D238-S241 VanDerWaalsContact OD1-N 3.14Å; D238-S241 VanDerWaalsContact OD2-CB 3.29Å; D238-S241 WeakPolarHBondContact OD2-CB 3.25Å; D238-S241 PolarHBondContact OD2-OG 3.06Å; D238-L242 PolarHBondContact O-N 2.89Å; D238-L242 VanDerWaalsContact O-N 3.14Å
239I80.8Confident80.4Confident44 Ų4451 Ų5123%0.22628%0.28CS..Hα-helixtrans-63.9-35.3177.1-60.8175.7000110.8L237 L242 L243 T278 I279L237-I239 HydrophobicContact CD2-CG1 4.37Å; I239-L242 PolarHBondContact O-N 2.81Å; I239-L243 HydrophobicContact CG2-CD1 3.82Å; I239-L243 HydrophobicContact CG2-CG 4.25Å; I239-L243 WeakPolarHBondContact O-CG 3.28Å; I239-L243 PolarHBondContact O-N 2.73Å; I239-T278 VanDerWaalsContact CD1-OG1 3.3Å; I239-T278 WeakPolarHBondContact CD1-OG1 3.3Å; I239-I279 HydrophobicContact CD1-CD1 3.96Å; I239-I279 HydrophobicContact CD1-CG1 3.92Å; I239-I279 HydrophobicContact CG1-CD1 4.22Å
240G74.1Confident79.5Confident33 Ų3353 Ų5334%0.3430%0.301SS..Hα-helixtrans-61.2-48178.500000111.2D238 L242 L243 A244D238-G240 VanDerWaalsContact C-N 3.26Å; D238-G240 PolarHBondContact O-N 2.73Å; D238-G240 WeakPolarHBondContact OD1-CA 3.45Å; D238-G240 PolarHBondContact OD1-N 3.33Å; G240-L242 VanDerWaalsContact C-N 3.34Å; G240-L242 PolarHBondContact O-N 2.9Å; G240-L243 PolarHBondContact O-N 2.86Å; G240-A244 WeakPolarHBondContact O-CB 3.34Å; G240-A244 PolarHBondContact O-N 3.31Å
241S78.1Confident79Confident42 Ų4253.8 Ų53.829%0.29430%0.299SS..Hα-helixtrans-64.7-33.9175.9-69.50000113.2D238D238-S241 PolarHBondContact O-N 2.86Å; D238-S241 PolarHBondContact OD1-N 3.47Å; D238-S241 VanDerWaalsContact OD1-N 3.14Å; D238-S241 VanDerWaalsContact OD2-CB 3.29Å; D238-S241 WeakPolarHBondContact OD2-CB 3.25Å; D238-S241 PolarHBondContact OD2-OG 3.06Å
242L75Confident78.4Confident0 Ų048 Ų480%027%0.267CS..Hα-helixtrans-66.9-40173.9-84168.3000113.2F161 L237 D238 I239 G240 T246 F252 R255 F256F161-L242 HydrophobicContact CB-CD2 4.1Å; F161-L242 HydrophobicContact CB-CG 4.19Å; F161-L242 HydrophobicContact CD1-CD2 3.84Å; F161-L242 HydrophobicContact CD1-CG 4.17Å; F161-L242 HydrophobicContact CD2-CD2 4.33Å; F161-L242 HydrophobicContact CE1-CD2 4.38Å; F161-L242 HydrophobicContact CG-CD2 3.82Å; F161-L242 HydrophobicContact CG-CG 4.31Å; L237-L242 HydrophobicContact CD1-CD1 3.56Å; L237-L242 HydrophobicContact CD2-CD1 4.27Å; L237-L242 HydrophobicContact CG-CD1 4.04Å; D238-L242 PolarHBondContact O-N 2.89Å; D238-L242 VanDerWaalsContact O-N 3.14Å; I239-L242 PolarHBondContact O-N 2.81Å; G240-L242 VanDerWaalsContact C-N 3.34Å; G240-L242 PolarHBondContact O-N 2.9Å; L242-T246 WeakPolarHBondContact O-CG2 3.21Å; L242-F252 HydrophobicContact CB-CD2 3.88Å; L242-F252 HydrophobicContact CB-CE2 3.63Å; L242-F252 HydrophobicContact CD1-CE2 4.07Å; L242-F252 HydrophobicContact CD1-CZ 4.43Å; L242-F252 HydrophobicContact CG-CE2 4.41Å; L242-R255 HydrophobicContact CD2-CB 3.92Å; L242-R255 PolarHBondContact O-NH1 2.98Å; L242-F256 HydrophobicContact CD1-CD2 3.86Å; L242-F256 HydrophobicContact CD1-CE2 4.43Å
243L72.1Confident77.7Confident74 Ų7450.8 Ų50.839%0.38728%0.28SS..Hα-helixtrans-75.3-32.6178.5-69.5171.3000112.3I239 G240 G245 T246 F252 V290I239-L243 HydrophobicContact CG2-CD1 3.82Å; I239-L243 HydrophobicContact CG2-CG 4.25Å; I239-L243 WeakPolarHBondContact O-CG 3.28Å; I239-L243 PolarHBondContact O-N 2.73Å; G240-L243 PolarHBondContact O-N 2.86Å; L243-G245 PolarHBondContact O-N 3.2Å; L243-T246 PolarHBondContact O-N 3.34Å; L243-T246 PolarHBondContact O-OG1 2.7Å; L243-F252 HydrophobicContact CD2-CD2 3.68Å; L243-F252 HydrophobicContact CD2-CE2 4.16Å; L243-F252 HydrophobicContact CD2-CG 4.37Å; L243-F252 HydrophobicContact CG-CD2 4.16Å; L243-F252 HydrophobicContact CG-CE2 4.34Å; L243-V290 HydrophobicContact CD2-CG2 4Å
244A67.8Low77.1Confident44 Ų4457 Ų5736%0.36431%0.305SS..THydrogen-bonded Turntrans-54.6124.2-178.800000111.7G240 T246 R255G240-A244 WeakPolarHBondContact O-CB 3.34Å; G240-A244 PolarHBondContact O-N 3.31Å; A244-T246 VanDerWaalsContact C-N 3.3Å; A244-T246 PolarHBondContact O-N 3.38Å; A244-R255 PolarHBondContact O-NH1 3.2Å
245G64.2Low76.4Confident39 Ų3960.6 Ų60.640%0.40232%0.319SS..THydrogen-bonded Turntrans75.97.2-179.900000115.8L243L243-G245 PolarHBondContact O-N 3.2Å
246T66.4Low75.9Confident32 Ų3259 Ų5920%0.19631%0.312CS..  trans-95.8128.6171.863.60000111L242 L243 A244 D251L242-T246 WeakPolarHBondContact O-CG2 3.21Å; L243-T246 PolarHBondContact O-N 3.34Å; L243-T246 PolarHBondContact O-OG1 2.7Å; A244-T246 VanDerWaalsContact C-N 3.3Å; A244-T246 PolarHBondContact O-N 3.38Å; T246-D251 HydrophobicContact CG2-CB 3.74Å
247K59.9Low75.5Confident154 Ų15464.2 Ų64.267%0.6733%0.332SS*.  trans-95.6-32.7177.9-172.9-179.1176.2-165.50111.4
248Y66.9Low75.3Confident143 Ų14365.7 Ų65.756%0.56135%0.346SS*.SBendtrans-116.5143-177.3-58-76.3000110.1G250 D251Y248-G250 PolarHBondContact O-N 2.84Å; Y248-G250 VanDerWaalsContact O-N 3.1Å; Y248-D251 PolarHBondContact N-OD2 3.27Å; Y248-D251 WeakPolarHBondContact O-CB 3.33Å; Y248-D251 PolarHBondContact O-N 3.44Å
249R67.8Low75.3Confident129 Ų12962.8 Ų62.849%0.48733%0.33SS..Hα-helixtrans-50.2-35.9174.5178.5-179.6170.8159.94.4112.8D251 F252 E253 D291R249-D251 PolarHBondContact O-N 3.1Å; R249-F252 WeakPolarHBondContact O-CB 3.29Å; R249-F252 PolarHBondContact O-N 2.89Å; R249-E253 IonicContact CZ-OE1 2.75Å; R249-E253 IonicContact NE-OE1 2.71Å; R249-E253 PolarHBondContact NE-OE1 3.02Å; R249-E253 IonicContact NH2-OE1 3.55Å; R249-E253 PolarHBondContact O-N 2.96Å; R249-D291 PolarHBondContact NH2-O 2.48Å
250G70.5Confident75.6Confident43 Ų4360.9 Ų60.944%0.44332%0.32SS..Hα-helixtrans-62.4-27.7177.700000114Y248 K254Y248-G250 PolarHBondContact O-N 2.84Å; Y248-G250 VanDerWaalsContact O-N 3.1Å; G250-K254 VanDerWaalsContact O-CB 3.28Å; G250-K254 WeakPolarHBondContact O-CB 3.42Å; G250-K254 PolarHBondContact O-N 3.39Å
251D77Confident76.2Confident62 Ų6265.8 Ų65.833%0.33233%0.332SS..Hα-helixtrans-71.8-43.4177.2-61.5-34.5000110.8T246 Y248 R249 K254 R255T246-D251 HydrophobicContact CG2-CB 3.74Å; Y248-D251 PolarHBondContact N-OD2 3.27Å; Y248-D251 WeakPolarHBondContact O-CB 3.33Å; Y248-D251 PolarHBondContact O-N 3.44Å; R249-D251 PolarHBondContact O-N 3.1Å; D251-K254 PolarHBondContact O-N 3.43Å; D251-R255 WeakPolarHBondContact O-CG 3.44Å; D251-R255 PolarHBondContact O-N 3.15Å
252F76.4Confident76.6Confident3 Ų366 Ų661%0.01333%0.329CS..Hα-helixtrans-57.6-51.2172171.8-83.7000110.3L242 L243 R249 K254 R255 F256 V290 A292L242-F252 HydrophobicContact CB-CD2 3.88Å; L242-F252 HydrophobicContact CB-CE2 3.63Å; L242-F252 HydrophobicContact CD1-CE2 4.07Å; L242-F252 HydrophobicContact CD1-CZ 4.43Å; L242-F252 HydrophobicContact CG-CE2 4.41Å; L243-F252 HydrophobicContact CD2-CD2 3.68Å; L243-F252 HydrophobicContact CD2-CE2 4.16Å; L243-F252 HydrophobicContact CD2-CG 4.37Å; L243-F252 HydrophobicContact CG-CD2 4.16Å; L243-F252 HydrophobicContact CG-CE2 4.34Å; R249-F252 WeakPolarHBondContact O-CB 3.29Å; R249-F252 PolarHBondContact O-N 2.89Å; F252-K254 PolarHBondContact O-N 3.37Å; F252-R255 PolarHBondContact O-N 3.36Å; F252-R255 VanDerWaalsContact O-N 3.17Å; F252-F256 HydrophobicContact CD1-CB 4.48Å; F252-F256 HydrophobicContact CE1-CB 4.16Å; F252-F256 HydrophobicContact CE1-CG 4.35Å; F252-F256 VanDerWaalsContact O-CB 3.29Å; F252-F256 WeakPolarHBondContact O-CB 3.34Å; F252-F256 PolarHBondContact O-N 3.4Å; F252-V290 HydrophobicContact CD1-CB 4.44Å; F252-V290 HydrophobicContact CD1-CG1 3.27Å; F252-V290 HydrophobicContact CE1-CB 4.31Å; F252-V290 HydrophobicContact CE1-CG1 3.33Å; F252-V290 HydrophobicContact CG-CG1 3.97Å; F252-V290 HydrophobicContact CZ-CG1 4.06Å; F252-A292 HydrophobicContact CE1-CB 4.12Å
253E78.1Confident77.2Confident61 Ų6166.2 Ų66.229%0.28533%0.33SS..Hα-helixtrans-59.9-37-179.7-74.6-179.7-162.800111.5R249 K257 L295R249-E253 IonicContact CZ-OE1 2.75Å; R249-E253 IonicContact NE-OE1 2.71Å; R249-E253 PolarHBondContact NE-OE1 3.02Å; R249-E253 IonicContact NH2-OE1 3.55Å; R249-E253 PolarHBondContact O-N 2.96Å; E253-K257 WeakPolarHBondContact O-CB 3.39Å; E253-K257 PolarHBondContact O-N 3.1Å; E253-L295 HydrophobicContact CB-CD1 4Å; E253-L295 HydrophobicContact CG-CD1 4.13Å
254K81.7Confident77.8Confident159 Ų15965.8 Ų65.869%0.69133%0.326SS*.Hα-helixtrans-66.5-46.2175.5-174179.4178.4-176.30112.2G250 D251 F252 K257 A258G250-K254 VanDerWaalsContact O-CB 3.28Å; G250-K254 WeakPolarHBondContact O-CB 3.42Å; G250-K254 PolarHBondContact O-N 3.39Å; D251-K254 PolarHBondContact O-N 3.43Å; F252-K254 PolarHBondContact O-N 3.37Å; K254-K257 PolarHBondContact O-N 3.48Å; K254-A258 PolarHBondContact O-N 3.28Å
255R81.2Confident78.6Confident76 Ų7671.1 Ų71.129%0.28734%0.343SS..Hα-helixtrans-63.5-45.2176.8-71.5178.1-177.2-170.71.5111.3F161 L242 A244 D251 F252 K257 A258 L259F161-R255 HydrophobicContact CZ-CB 4.4Å; F161-R255 HydrophobicContact CZ-CG 4.21Å; L242-R255 HydrophobicContact CD2-CB 3.92Å; L242-R255 PolarHBondContact O-NH1 2.98Å; A244-R255 PolarHBondContact O-NH1 3.2Å; D251-R255 WeakPolarHBondContact O-CG 3.44Å; D251-R255 PolarHBondContact O-N 3.15Å; F252-R255 PolarHBondContact O-N 3.36Å; F252-R255 VanDerWaalsContact O-N 3.17Å; R255-K257 PolarHBondContact O-N 3.11Å; R255-A258 WeakPolarHBondContact O-CB 3.39Å; R255-A258 PolarHBondContact O-N 3.24Å; R255-A258 VanDerWaalsContact O-N 3.15Å; R255-L259 PolarHBondContact O-N 3.2Å
256F85.5Confident79.6Confident0 Ų071.9 Ų71.90%034%0.338CS..Hα-helixtrans-63.9-42.9178.1-168.1-125.5000111.8L237 L242 F252 A258 L259 L260 I279 A292 L295 I296L237-F256 HydrophobicContact CD1-CE2 4.26Å; L237-F256 HydrophobicContact CD2-CE2 3.74Å; L237-F256 HydrophobicContact CD2-CZ 4.42Å; L242-F256 HydrophobicContact CD1-CD2 3.86Å; L242-F256 HydrophobicContact CD1-CE2 4.43Å; F252-F256 HydrophobicContact CD1-CB 4.48Å; F252-F256 HydrophobicContact CE1-CB 4.16Å; F252-F256 HydrophobicContact CE1-CG 4.35Å; F252-F256 VanDerWaalsContact O-CB 3.29Å; F252-F256 WeakPolarHBondContact O-CB 3.34Å; F252-F256 PolarHBondContact O-N 3.4Å; F256-A258 VanDerWaalsContact C-N 3.29Å; F256-A258 PolarHBondContact O-N 2.91Å; F256-L259 HydrophobicContact CD2-CD2 4.4Å; F256-L259 HydrophobicContact CE2-CD2 4.34Å; F256-L259 PolarHBondContact O-N 2.87Å; F256-L260 HydrophobicContact CD1-CD1 3.81Å; F256-L260 HydrophobicContact CD1-CG 4.44Å; F256-L260 HydrophobicContact CE1-CD1 3.71Å; F256-L260 HydrophobicContact CE1-CG 4.33Å; F256-L260 HydrophobicContact CG-CD1 4.42Å; F256-L260 HydrophobicContact CZ-CD1 4.22Å; F256-L260 HydrophobicContact CZ-CD2 4.34Å; F256-L260 HydrophobicContact CZ-CG 4.39Å; F256-L260 WeakPolarHBondContact O-CB 3.2Å; F256-L260 VanDerWaalsContact O-CG 3.28Å; F256-L260 WeakPolarHBondContact O-CG 3.43Å; F256-L260 PolarHBondContact O-N 3.46Å; F256-I279 HydrophobicContact CE1-CG2 4.27Å; F256-I279 HydrophobicContact CZ-CD1 4.47Å; F256-I279 HydrophobicContact CZ-CG2 4.34Å; F256-A292 HydrophobicContact CD1-CB 3.82Å; F256-A292 HydrophobicContact CE1-CB 3.8Å; F256-L295 HydrophobicContact CD1-CB 4.41Å; F256-L295 HydrophobicContact CD1-CD1 4.02Å; F256-I296 HydrophobicContact CE1-CD1 3.86Å; F256-I296 HydrophobicContact CE1-CG1 3.91Å; F256-I296 HydrophobicContact CZ-CD1 3.57Å; F256-I296 HydrophobicContact CZ-CG1 4.02Å
257K85.3Confident80.3Confident136 Ų13675.4 Ų75.459%0.59136%0.36SS*.Hα-helixtrans-61.9-36.5173.7-172.6176.5-176.7178.40112.4E253 K254 R255 K261 L295E253-K257 WeakPolarHBondContact O-CB 3.39Å; E253-K257 PolarHBondContact O-N 3.1Å; K254-K257 PolarHBondContact O-N 3.48Å; R255-K257 PolarHBondContact O-N 3.11Å; K257-K261 WeakPolarHBondContact O-CB 3.44Å; K257-K261 PolarHBondContact O-N 3.38Å; K257-L295 HydrophobicContact CD-CD2 4.46Å
258A85.6Confident81.8Confident43 Ų4370.7 Ų70.736%0.35534%0.342SS..Hα-helixtrans-64.9-46.8175.500000111.5K254 R255 F256 L260 K261 Q262K254-A258 PolarHBondContact O-N 3.28Å; R255-A258 WeakPolarHBondContact O-CB 3.39Å; R255-A258 PolarHBondContact O-N 3.24Å; R255-A258 VanDerWaalsContact O-N 3.15Å; F256-A258 VanDerWaalsContact C-N 3.29Å; F256-A258 PolarHBondContact O-N 2.91Å; A258-L260 PolarHBondContact O-N 2.77Å; A258-K261 PolarHBondContact O-N 3.46Å; A258-Q262 PolarHBondContact O-N 3.35Å; A258-Q262 VanDerWaalsContact O-N 3.16Å
259L87.1Confident82.9Confident2 Ų264 Ų641%0.0132%0.316CS..Hα-helixtrans-57.9-47.1174174.5151.5000111.6F161 T162 L237 R255 F256 K261 Q262 L263 L271F161-L259 HydrophobicContact CB-CD1 3.73Å; T162-L259 HydrophobicContact CG2-CD1 3.5Å; T162-L259 HydrophobicContact CG2-CG 4.41Å; L237-L259 HydrophobicContact CD1-CD1 3.73Å; L237-L259 HydrophobicContact CD1-CD2 4.3Å; R255-L259 PolarHBondContact O-N 3.2Å; F256-L259 HydrophobicContact CD2-CD2 4.4Å; F256-L259 HydrophobicContact CE2-CD2 4.34Å; F256-L259 PolarHBondContact O-N 2.87Å; L259-K261 VanDerWaalsContact C-N 3.3Å; L259-K261 PolarHBondContact O-N 3.03Å; L259-Q262 WeakPolarHBondContact O-CB 3.41Å; L259-Q262 PolarHBondContact O-N 3Å; L259-Q262 VanDerWaalsContact O-N 3.12Å; L259-L263 HydrophobicContact CD2-CD1 3.54Å; L259-L263 HydrophobicContact CD2-CG 4.39Å; L259-L263 HydrophobicContact CG-CD1 4.34Å; L259-L263 WeakPolarHBondContact O-CG 3.48Å; L259-L263 PolarHBondContact O-N 3.45Å; L259-L271 HydrophobicContact CD2-CD2 4.48Å
260L87.9Confident84.2Confident4 Ų457.9 Ų57.92%0.02129%0.293CS..Hα-helixtrans-62-36.9178.7-72.4174.4000112.7F256 A258 Q262 L263 E264 L295 I296 L299 I305F256-L260 HydrophobicContact CD1-CD1 3.81Å; F256-L260 HydrophobicContact CD1-CG 4.44Å; F256-L260 HydrophobicContact CE1-CD1 3.71Å; F256-L260 HydrophobicContact CE1-CG 4.33Å; F256-L260 HydrophobicContact CG-CD1 4.42Å; F256-L260 HydrophobicContact CZ-CD1 4.22Å; F256-L260 HydrophobicContact CZ-CD2 4.34Å; F256-L260 HydrophobicContact CZ-CG 4.39Å; F256-L260 WeakPolarHBondContact O-CB 3.2Å; F256-L260 VanDerWaalsContact O-CG 3.28Å; F256-L260 WeakPolarHBondContact O-CG 3.43Å; F256-L260 PolarHBondContact O-N 3.46Å; A258-L260 PolarHBondContact O-N 2.77Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 2.94Å; L260-L263 PolarHBondContact O-N 3.43Å; L260-E264 WeakPolarHBondContact O-CB 3.39Å; L260-E264 PolarHBondContact O-N 3.06Å; L260-L295 HydrophobicContact CD1-CB 4.04Å; L260-I296 HydrophobicContact CD1-CG1 4.2Å; L260-I296 HydrophobicContact CD2-CG1 4.22Å; L260-L299 HydrophobicContact CB-CD1 3.62Å; L260-L299 HydrophobicContact CD1-CD1 3.86Å; L260-L299 HydrophobicContact CD2-CD1 3.97Å; L260-L299 HydrophobicContact CG-CD1 4.02Å; L260-I305 HydrophobicContact CD2-CD1 4.01Å
261K86.7Confident85.3Confident136 Ų13656 Ų5659%0.59127%0.272SS*.Hα-helixtrans-67.4-31.7176.5-169.8-177.4177.4-169.70112.1K257 A258 L259K257-K261 WeakPolarHBondContact O-CB 3.44Å; K257-K261 PolarHBondContact O-N 3.38Å; A258-K261 PolarHBondContact O-N 3.46Å; L259-K261 VanDerWaalsContact C-N 3.3Å; L259-K261 PolarHBondContact O-N 3.03Å
262Q85.5Confident86.3Confident46 Ų4653 Ų5322%0.21526%0.257CS..Hα-helixtrans-71.3-47.4174.5-70.6176.5-30.200111G154 M158 A258 L259 L260 E264 Q265G154-Q262 PolarHBondContact O-NE2 3.46Å; M158-Q262 HydrophobicContact CG-CB 4.39Å; M158-Q262 VanDerWaalsContact CG-OE1 3.23Å; A258-Q262 PolarHBondContact O-N 3.35Å; A258-Q262 VanDerWaalsContact O-N 3.16Å; L259-Q262 WeakPolarHBondContact O-CB 3.41Å; L259-Q262 PolarHBondContact O-N 3Å; L259-Q262 VanDerWaalsContact O-N 3.12Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 2.94Å; Q262-E264 PolarHBondContact O-N 3.23Å; Q262-Q265 WeakPolarHBondContact O-CB 3.33Å; Q262-Q265 PolarHBondContact O-N 3.39Å
263L86.9Confident87Confident5 Ų552.9 Ų52.93%0.02626%0.256CS..Hα-helixtrans-62.1-29.7175.6-64.9173.7000112.5M158 Y235 L259 L260 Q265 D266 S269 L271 I305M158-L263 HydrophobicContact SD-CD2 4.41Å; Y235-L263 HydrophobicContact CD2-CD2 3.98Å; Y235-L263 HydrophobicContact CE2-CD2 4.42Å; L259-L263 HydrophobicContact CD2-CD1 3.54Å; L259-L263 HydrophobicContact CD2-CG 4.39Å; L259-L263 HydrophobicContact CG-CD1 4.34Å; L259-L263 WeakPolarHBondContact O-CG 3.48Å; L259-L263 PolarHBondContact O-N 3.45Å; L260-L263 PolarHBondContact O-N 3.43Å; L263-Q265 PolarHBondContact O-N 2.98Å; L263-D266 PolarHBondContact O-N 3.36Å; L263-D266 VanDerWaalsContact O-O 3.07Å; L263-S269 PolarHBondContact O-OG 3.37Å; L263-L271 HydrophobicContact CD1-CB 4.1Å; L263-L271 HydrophobicContact CD1-CD1 3.94Å; L263-L271 HydrophobicContact CD1-CD2 3.88Å; L263-L271 HydrophobicContact CD1-CG 4.2Å; L263-I305 HydrophobicContact CB-CG2 4.43Å
264E85.1Confident87.7Confident65 Ų6552.7 Ų52.730%0.30426%0.257SS..THydrogen-bonded Turntrans-64.3-27.2174.3-169.6-177.417500113.1L260 Q262 L299 K304L260-E264 WeakPolarHBondContact O-CB 3.39Å; L260-E264 PolarHBondContact O-N 3.06Å; Q262-E264 PolarHBondContact O-N 3.23Å; E264-L299 HydrophobicContact CG-CD2 4.42Å; E264-K304 HydrophobicContact CG-CB 4.01Å; E264-K304 HydrophobicContact CG-CD 3.63Å; E264-K304 HydrophobicContact CG-CG 4.47Å; E264-K304 WeakPolarHBondContact OE1-CD 3.5Å; E264-K304 WeakPolarHBondContact OE1-CE 3.36Å; E264-K304 IonicContact OE1-NZ 2.64Å; E264-K304 PolarHBondContact OE1-NZ 2.78Å
265Q85.7Confident88Confident155 Ų15550.2 Ų50.272%0.72425%0.248SC*.THydrogen-bonded Turntrans-82.3-25179.6-66.5174.7-2.500112.5Q262 L263Q262-Q265 WeakPolarHBondContact O-CB 3.33Å; Q262-Q265 PolarHBondContact O-N 3.39Å; L263-Q265 PolarHBondContact O-N 2.98Å
266D85.9Confident88.3Confident56 Ų5646.7 Ų46.730%0.29924%0.235SC..  trans-101.4100.4177.8-179.58.2000111L263 N268 S269L263-D266 PolarHBondContact O-N 3.36Å; L263-D266 VanDerWaalsContact O-O 3.07Å; D266-N268 PolarHBondContact O-N 2.96Å; D266-N268 WeakPolarHBondContact OD1-CA 3.41Å; D266-N268 WeakPolarHBondContact OD1-CB 3.38Å; D266-N268 PolarHBondContact OD1-N 2.9Å; D266-S269 WeakPolarHBondContact O-CB 3.37Å; D266-S269 PolarHBondContact O-N 3.47Å; D266-S269 VanDerWaalsContact O-N 3.13Å; D266-S269 PolarHBondContact O-OG 2.86Å; D266-S269 PolarHBondContact OD1-N 2.83Å; D266-S269 WeakPolarHBondContact OD2-CB 3.36Å
267T81Confident88.2Confident105 Ų10547.8 Ų47.864%0.64424%0.24SC*.THydrogen-bonded Turntrans-63.4-21.5177.651.80000113.3R306T267-R306 PolarHBondContact O-NH2 3.48Å
268N89.4Confident88Confident56 Ų5642.6 Ų42.630%0.29922%0.22SC..THydrogen-bonded Turntrans-90.1-3.7-178.9-68.7-5.2000112.5D231 C232 T233 D266D231-N268 WeakPolarHBondContact CB-ND2 3.23Å; D231-N268 WeakPolarHBondContact O-CB 3.44Å; C232-N268 CarbonylContact C-O 3.52Å; C232-N268 WeakPolarHBondContact CA-O 3.27Å; T233-N268 PolarHBondContact N-O 3.01Å; D266-N268 PolarHBondContact O-N 2.96Å; D266-N268 WeakPolarHBondContact OD1-CA 3.41Å; D266-N268 WeakPolarHBondContact OD1-CB 3.38Å; D266-N268 PolarHBondContact OD1-N 2.9Å
269S91.8Very high87.7Confident3 Ų340.8 Ų40.82%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-75141.9175.572.20000112.6T233 L263 D266T233-S269 WeakPolarHBondContact O-CA 3.36Å; L263-S269 PolarHBondContact O-OG 3.37Å; D266-S269 WeakPolarHBondContact O-CB 3.37Å; D266-S269 PolarHBondContact O-N 3.47Å; D266-S269 VanDerWaalsContact O-N 3.13Å; D266-S269 PolarHBondContact O-OG 2.86Å; D266-S269 PolarHBondContact OD1-N 2.83Å; D266-S269 WeakPolarHBondContact OD2-CB 3.36Å
270I94.1Very high87.1Confident0 Ų041.2 Ų41.20%021%0.206CC..EExtended strand (participates in β ladder)trans-130.5124.2171.2-58.4173.7000107.4L191 M229 C232 T233 I234 Y235 R306 I308L191-I270 HydrophobicContact CD1-CD1 4.26Å; L191-I270 HydrophobicContact CD2-CD1 4.36Å; L191-I270 HydrophobicContact CD2-CG2 4.19Å; M229-I270 HydrophobicContact CE-CD1 3.92Å; C232-I270 HydrophobicContact CB-CD1 4.04Å; T233-I270 PolarHBondContact O-N 2.92Å; I234-I270 CarbonylContact C-O 3.26Å; I234-I270 WeakPolarHBondContact CA-O 3.39Å; I234-I270 HydrophobicContact CG1-CB 4.23Å; I234-I270 HydrophobicContact CG1-CD1 4.46Å; Y235-I270 PolarHBondContact N-O 2.97Å; I270-R306 WeakPolarHBondContact CA-O 3.46Å; I270-R306 HydrophobicContact CG1-CB 4.16Å; I270-R306 HydrophobicContact CG2-CB 4.47Å; I270-I308 HydrophobicContact CG2-CD1 3.85Å; I270-I308 HydrophobicContact CG2-CG1 3.72Å
271L94.7Very high85.8Confident2 Ų241.8 Ų41.81%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-94.9118.4179.2-175.964.6000110Y235 L237 L259 L263 I273 R306 V307 I308Y235-L271 CarbonylContact O-C 3.59Å; Y235-L271 WeakPolarHBondContact O-CA 3.38Å; L237-L271 HydrophobicContact CB-CD1 4.07Å; L237-L271 HydrophobicContact CD1-CD1 4.43Å; L259-L271 HydrophobicContact CD2-CD2 4.48Å; L263-L271 HydrophobicContact CD1-CB 4.1Å; L263-L271 HydrophobicContact CD1-CD1 3.94Å; L263-L271 HydrophobicContact CD1-CD2 3.88Å; L263-L271 HydrophobicContact CD1-CG 4.2Å; L271-I273 HydrophobicContact CD2-CD1 3.88Å; L271-I273 HydrophobicContact CD2-CG1 4.03Å; L271-I273 HydrophobicContact CG-CD1 4.3Å; L271-I273 HydrophobicContact CG-CG1 3.91Å; L271-R306 PolarHBondContact N-O 3.49Å; L271-V307 HydrophobicContact CB-CG2 4.31Å; L271-V307 CarbonylContact O-C 3.55Å; L271-V307 WeakPolarHBondContact O-CA 3.43Å; L271-I308 PolarHBondContact O-N 3.33Å
272F96.1Very high84.1Confident1 Ų136.6 Ų36.60%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-89.9128.7167.3175.7-112.6000109.5T210 A213 I234 Y235 L237 D274 I308T210-F272 HydrophobicContact CG2-CE1 3.92Å; T210-F272 HydrophobicContact CG2-CZ 4.16Å; A213-F272 HydrophobicContact CB-CD1 4.22Å; A213-F272 HydrophobicContact CB-CD2 3.52Å; A213-F272 HydrophobicContact CB-CE1 4.36Å; A213-F272 HydrophobicContact CB-CE2 3.67Å; A213-F272 HydrophobicContact CB-CG 3.81Å; A213-F272 HydrophobicContact CB-CZ 4.1Å; I234-F272 HydrophobicContact CG2-CB 4.13Å; Y235-F272 PolarHBondContact O-N 3.42Å; L237-F272 PolarHBondContact N-O 3.29Å; F272-D274 HydrophobicContact CE1-CB 3.84Å; F272-D274 HydrophobicContact CZ-CB 3.95Å; F272-I308 WeakPolarHBondContact CA-O 3.47Å; F272-I308 HydrophobicContact CD2-CB 3.93Å; F272-I308 HydrophobicContact CD2-CG2 3.77Å; F272-I308 WeakPolarHBondContact CD2-O 3.49Å; F272-I308 HydrophobicContact CE2-CG2 4.24Å
273I93Very high82Confident0 Ų037.8 Ų37.80%022%0.22CC..EExtended strand (participates in β ladder)trans-123.3105.5175.6-52.5178.1000107.1L237 L271 I276 I279 I296 V307 I308 S310L237-I273 HydrophobicContact CB-CG1 4.26Å; L237-I273 HydrophobicContact CD2-CD1 4.26Å; L237-I273 HydrophobicContact CD2-CG1 4.09Å; L237-I273 HydrophobicContact CD2-CG2 4.24Å; L271-I273 HydrophobicContact CD2-CD1 3.88Å; L271-I273 HydrophobicContact CD2-CG1 4.03Å; L271-I273 HydrophobicContact CG-CD1 4.3Å; L271-I273 HydrophobicContact CG-CG1 3.91Å; I273-I276 HydrophobicContact CB-CB 4.14Å; I273-I276 HydrophobicContact CB-CD1 4.33Å; I273-I276 HydrophobicContact CB-CG1 4.04Å; I273-I276 HydrophobicContact CD1-CD1 4.23Å; I273-I276 HydrophobicContact CD1-CG1 4.24Å; I273-I276 HydrophobicContact CG2-CB 3.93Å; I273-I276 HydrophobicContact CG2-CG1 3.94Å; I273-I279 HydrophobicContact CD1-CD1 4.34Å; I273-I279 HydrophobicContact CG2-CD1 3.64Å; I273-I296 HydrophobicContact CD1-CD1 3.95Å; I273-V307 HydrophobicContact CD1-CG1 3.97Å; I273-V307 HydrophobicContact CG1-CG1 4.19Å; I273-I308 PolarHBondContact N-O 3.3Å; I273-S310 PolarHBondContact O-N 3.49Å; I273-S310 VanDerWaalsContact O-N 3.1Å
274D90.8Very high79.7Confident57 Ų5741.2 Ų41.231%0.30525%0.249SC..THydrogen-bonded Turntrans-69.4143168.6-142.7-9.1000109.1T210 F272 I276 S310T210-D274 PolarHBondContact OG1-OD2 3.37Å; F272-D274 HydrophobicContact CE1-CB 3.84Å; F272-D274 HydrophobicContact CZ-CB 3.95Å; D274-I276 VanDerWaalsContact C-N 3.29Å; D274-I276 PolarHBondContact O-N 2.96Å; D274-S310 VanDerWaalsContact CA-OG 3.29Å; D274-S310 WeakPolarHBondContact CA-OG 3.46Å; D274-S310 PolarHBondContact OD1-OG 2.92Å
275E88.2Confident77.5Confident107 Ų10743.2 Ų43.250%0.528%0.277SS..THydrogen-bonded Turntrans50.846.8-177.8-59.6-169.3158.400113.2H277 T278 S310E275-H277 PolarHBondContact O-N 3.36Å; E275-T278 HydrophobicContact CB-CG2 3.94Å; E275-T278 WeakPolarHBondContact O-CB 3.4Å; E275-T278 WeakPolarHBondContact O-CG2 3.26Å; E275-T278 PolarHBondContact O-N 3.47Å; E275-T278 PolarHBondContact O-OG1 2.82Å; E275-S310 WeakPolarHBondContact CA-O 3.47Å; E275-S310 PolarHBondContact N-O 2.98Å; E275-S310 PolarHBondContact N-OG 3.27Å
276I88.5Confident75.1Confident1 Ų140.5 Ų40.51%0.00528%0.275CS..THydrogen-bonded Turntrans-54.6-21.8-172.9-166.9173.2000114L200 I273 D274 T278 I279 I280 V307 S310 F320 F330L200-I276 HydrophobicContact CD1-CG2 3.75Å; I273-I276 HydrophobicContact CB-CB 4.14Å; I273-I276 HydrophobicContact CB-CD1 4.33Å; I273-I276 HydrophobicContact CB-CG1 4.04Å; I273-I276 HydrophobicContact CD1-CD1 4.23Å; I273-I276 HydrophobicContact CD1-CG1 4.24Å; I273-I276 HydrophobicContact CG2-CB 3.93Å; I273-I276 HydrophobicContact CG2-CG1 3.94Å; D274-I276 VanDerWaalsContact C-N 3.29Å; D274-I276 PolarHBondContact O-N 2.96Å; I276-T278 PolarHBondContact O-N 3.1Å; I276-I279 PolarHBondContact O-N 3.01Å; I276-I280 HydrophobicContact CD1-CD1 4.05Å; I276-I280 HydrophobicContact CG1-CD1 3.72Å; I276-I280 PolarHBondContact O-N 2.95Å; I276-V307 HydrophobicContact CD1-CG1 3.99Å; I276-S310 WeakPolarHBondContact CG2-O 3.21Å; I276-S310 PolarHBondContact N-O 2.9Å; I276-F320 HydrophobicContact CD1-CZ 4.47Å; I276-F320 HydrophobicContact CG1-CZ 4.43Å; I276-F320 HydrophobicContact CG2-CE2 3.77Å; I276-F320 HydrophobicContact CG2-CZ 3.49Å; I276-F320 VanDerWaalsContact CG2-CZ 3.49Å; I276-F330 HydrophobicContact CD1-CE1 3.97Å; I276-F330 HydrophobicContact CD1-CE2 4.4Å; I276-F330 HydrophobicContact CD1-CZ 3.57Å
277H83.4Confident72.9Confident24 Ų2442.3 Ų42.311%0.11131%0.306CS..Hα-helixtrans-61.4-29.3175.970.6-90.2000112.8E275 I279 I280 G281 E315 I319 F320E275-H277 PolarHBondContact O-N 3.36Å; H277-I279 PolarHBondContact O-N 3.18Å; H277-I280 PolarHBondContact O-N 2.81Å; H277-I280 VanDerWaalsContact O-N 3.17Å; H277-G281 WeakPolarHBondContact O-CA 3.38Å; H277-G281 PolarHBondContact O-N 2.97Å; H277-E315 HydrophobicContact CB-CB 4.09Å; H277-E315 HydrophobicContact CB-CG 4.27Å; H277-E315 IonicContact CE1-OE1 2.74Å; H277-E315 PolarHBondContact CE1-OE1 2.91Å; H277-E315 IonicContact CE1-OE2 3.97Å; H277-E315 PolarHBondContact CE1-OE2 3.46Å; H277-E315 IonicContact CG-OE2 2.67Å; H277-E315 IonicContact ND1-OE1 3.74Å; H277-E315 IonicContact ND1-OE2 3.28Å; H277-E315 PolarHBondContact ND1-OE2 3.42Å; H277-E315 IonicContact NE2-OE1 2.92Å; H277-E315 IonicContact NE2-OE2 3.4Å; H277-I319 HydrophobicContact CB-CD1 3.72Å; H277-F320 HydrophobicContact CB-CE2 4.49Å
278T80.4Confident71.4Confident27 Ų2740.6 Ų40.617%0.16631%0.31CS..Hα-helixtrans-62-30178.658.70000112.6I239 E275 I276I239-T278 VanDerWaalsContact CD1-OG1 3.3Å; I239-T278 WeakPolarHBondContact CD1-OG1 3.3Å; E275-T278 HydrophobicContact CB-CG2 3.94Å; E275-T278 WeakPolarHBondContact O-CB 3.4Å; E275-T278 WeakPolarHBondContact O-CG2 3.26Å; E275-T278 PolarHBondContact O-N 3.47Å; E275-T278 PolarHBondContact O-OG1 2.82Å; I276-T278 PolarHBondContact O-N 3.1Å
279I78.7Confident69.6Low4 Ų443.5 Ų43.52%0.02132%0.322CS..Hα-helixtrans-88.6-25.1179.6-55.6-174.8000111.5L237 I239 F256 I273 I276 H277 A292 A293L237-I279 HydrophobicContact CD2-CD1 3.54Å; I239-I279 HydrophobicContact CD1-CD1 3.96Å; I239-I279 HydrophobicContact CD1-CG1 3.92Å; I239-I279 HydrophobicContact CG1-CD1 4.22Å; F256-I279 HydrophobicContact CE1-CG2 4.27Å; F256-I279 HydrophobicContact CZ-CD1 4.47Å; F256-I279 HydrophobicContact CZ-CG2 4.34Å; I273-I279 HydrophobicContact CD1-CD1 4.34Å; I273-I279 HydrophobicContact CG2-CD1 3.64Å; I276-I279 PolarHBondContact O-N 3.01Å; H277-I279 PolarHBondContact O-N 3.18Å; I279-A292 HydrophobicContact CG2-CB 3.56Å; I279-A292 PolarHBondContact O-N 3.18Å; I279-A293 PolarHBondContact O-N 3.46Å
280I75.8Confident68Low12 Ų1244.9 Ų44.96%0.06233%0.329CS..Hα-helixtrans-102.6-26.3-169.2-68.1170.8000112.8I276 H277 A293 I319 F320 L326I276-I280 HydrophobicContact CD1-CD1 4.05Å; I276-I280 HydrophobicContact CG1-CD1 3.72Å; I276-I280 PolarHBondContact O-N 2.95Å; H277-I280 PolarHBondContact O-N 2.81Å; H277-I280 VanDerWaalsContact O-N 3.17Å; I280-A293 HydrophobicContact CG2-CB 4.39Å; I280-I319 HydrophobicContact CB-CG2 4.45Å; I280-I319 HydrophobicContact CG2-CG2 3.75Å; I280-F320 HydrophobicContact CD1-CE1 3.89Å; I280-F320 HydrophobicContact CD1-CE2 4.37Å; I280-F320 HydrophobicContact CD1-CZ 3.49Å; I280-F320 VanDerWaalsContact CD1-CZ 3.49Å; I280-L326 HydrophobicContact CB-CD1 4.36Å; I280-L326 HydrophobicContact CD1-CD1 3.95Å; I280-L326 HydrophobicContact CG1-CD1 4.2Å; I280-L326 HydrophobicContact CG2-CD1 3.25Å
281G61.1Low66.7Low16 Ų1646.6 Ų46.617%0.16534%0.339CS..  trans-101.51.8-15900000118.3H277 G283H277-G281 WeakPolarHBondContact O-CA 3.38Å; H277-G281 PolarHBondContact O-N 2.97Å; G281-G283 PolarHBondContact O-N 3.38Å
282A49.9Very low65.5Low27 Ų2746.5 Ų46.522%0.22334%0.339CS..THydrogen-bonded Turntrans-74.26.6-168.400000116.6A284 Q289 D291A282-A284 VanDerWaalsContact C-N 3.27Å; A282-A284 PolarHBondContact O-N 3.13Å; A282-Q289 HydrophobicContact CB-CB 3.57Å; A282-Q289 WeakPolarHBondContact CB-O 3.36Å; A282-D291 HydrophobicContact CB-CB 3.82Å
283G41.5Very low64.5Low71 Ų7146.5 Ų46.573%0.73234%0.339SS*.THydrogen-bonded Turntrans-73.7-10.2175.600000115.2G281 A285G281-G283 PolarHBondContact O-N 3.38Å; G283-A285 PolarHBondContact O-N 3.1Å
284A38.7Very low63.7Low77 Ų7752 Ų5264%0.63637%0.368SS*.SBendtrans-91.286.2-179.300000111.7A282 S286A282-A284 VanDerWaalsContact C-N 3.27Å; A282-A284 PolarHBondContact O-N 3.13Å; A284-S286 PolarHBondContact O-N 2.92Å
285A38.7Very low63.2Low107 Ų10751.2 Ų51.288%0.88436%0.364SS*.SBendtrans49.8-8.5156.500000122G283G283-A285 PolarHBondContact O-N 3.1Å
286S35.6Very low62.9Low98 Ų9846.2 Ų46.269%0.68534%0.34SS*.  trans-118.960.6-170.9-63.40000112.5A284 G288A284-S286 PolarHBondContact O-N 2.92Å; S286-G288 VanDerWaalsContact C-N 3.31Å; S286-G288 PolarHBondContact O-N 3.25Å
287G39.3Very low62.7Low93 Ų9348.6 Ų48.696%0.95935%0.351SS*.SBendtrans47.8-6.9143.200000124.7
288G50.3Low62.7Low69 Ų6951 Ų5171%0.71137%0.369SS*.  trans-132.6-17.5-165.800000118S286S286-G288 VanDerWaalsContact C-N 3.31Å; S286-G288 PolarHBondContact O-N 3.25Å
289Q51.9Low62.8Low118 Ų11850.8 Ų50.855%0.55137%0.366SS*.  trans-99.8151.3-171-67-178-5.100112.8A282 D291A282-Q289 HydrophobicContact CB-CB 3.57Å; A282-Q289 WeakPolarHBondContact CB-O 3.36Å; Q289-D291 PolarHBondContact O-N 3.37Å
290V58.5Low63.1Low31 Ų3150.8 Ų50.819%0.18837%0.366CS..  trans-89106-173.4-175.30000109.8L243 F252 A292L243-V290 HydrophobicContact CD2-CG2 4Å; F252-V290 HydrophobicContact CD1-CB 4.44Å; F252-V290 HydrophobicContact CD1-CG1 3.27Å; F252-V290 HydrophobicContact CE1-CB 4.31Å; F252-V290 HydrophobicContact CE1-CG1 3.33Å; F252-V290 HydrophobicContact CG-CG1 3.97Å; F252-V290 HydrophobicContact CZ-CG1 4.06Å; V290-A292 PolarHBondContact O-N 3.01Å
291D65.9Low63.3Low36 Ų3653.1 Ų53.119%0.19338%0.383CS..  trans-85.2104.6174174.917.4000110.6R249 A282 Q289 A293R249-D291 PolarHBondContact NH2-O 2.48Å; A282-D291 HydrophobicContact CB-CB 3.82Å; Q289-D291 PolarHBondContact O-N 3.37Å; D291-A293 WeakPolarHBondContact OD1-CB 3.43Å; D291-A293 PolarHBondContact OD1-N 3.3Å
292A69.5Low64.2Low1 Ų155.6 Ų55.61%0.00840%0.398CS..  trans-107.814.6173.500000112.3F252 F256 I279 V290 N294 L295 I296F252-A292 HydrophobicContact CE1-CB 4.12Å; F256-A292 HydrophobicContact CD1-CB 3.82Å; F256-A292 HydrophobicContact CE1-CB 3.8Å; I279-A292 HydrophobicContact CG2-CB 3.56Å; I279-A292 PolarHBondContact O-N 3.18Å; V290-A292 PolarHBondContact O-N 3.01Å; A292-N294 PolarHBondContact O-N 2.78Å; A292-N294 VanDerWaalsContact O-N 3.14Å; A292-L295 HydrophobicContact CB-CD1 4.38Å; A292-L295 WeakPolarHBondContact O-CB 3.48Å; A292-L295 PolarHBondContact O-N 2.89Å; A292-I296 PolarHBondContact O-N 3.36Å
293A74.3Confident65.6Low1 Ų156 Ų561%0.00841%0.406CS..Hα-helixtrans-55.5-36.6-178.700000111.7I279 I280 D291 L295 I296 K297I279-A293 PolarHBondContact O-N 3.46Å; I280-A293 HydrophobicContact CG2-CB 4.39Å; D291-A293 WeakPolarHBondContact OD1-CB 3.43Å; D291-A293 PolarHBondContact OD1-N 3.3Å; A293-L295 VanDerWaalsContact C-N 3.25Å; A293-L295 PolarHBondContact O-N 3.44Å; A293-I296 PolarHBondContact O-N 2.9Å; A293-K297 HydrophobicContact CB-CD 4.38Å; A293-K297 VanDerWaalsContact O-CB 3.3Å; A293-K297 WeakPolarHBondContact O-CB 3.49Å; A293-K297 WeakPolarHBondContact O-CD 3.47Å; A293-K297 WeakPolarHBondContact O-CG 3.46Å; A293-K297 PolarHBondContact O-N 3.08Å
294N76.6Confident67.5Low115 Ų11557.9 Ų57.962%0.61539%0.394SS*.Hα-helixtrans-66.9-22.9179.4-67.7-29.8000113.8A292 P298A292-N294 PolarHBondContact O-N 2.78Å; A292-N294 VanDerWaalsContact O-N 3.14Å; N294-P298 WeakPolarHBondContact O-CD 3.46Å
295L80.7Confident69.8Low41 Ų4154.4 Ų54.422%0.21536%0.364CS..Hα-helixtrans-82.8-37.1176.2-63.8177000111.8E253 F256 K257 L260 A292 A293E253-L295 HydrophobicContact CB-CD1 4Å; E253-L295 HydrophobicContact CG-CD1 4.13Å; F256-L295 HydrophobicContact CD1-CB 4.41Å; F256-L295 HydrophobicContact CD1-CD1 4.02Å; K257-L295 HydrophobicContact CD-CD2 4.46Å; L260-L295 HydrophobicContact CD1-CB 4.04Å; A292-L295 HydrophobicContact CB-CD1 4.38Å; A292-L295 WeakPolarHBondContact O-CB 3.48Å; A292-L295 PolarHBondContact O-N 2.89Å; A293-L295 VanDerWaalsContact C-N 3.25Å; A293-L295 PolarHBondContact O-N 3.44Å
296I83Confident72.4Confident2 Ų251 Ų511%0.0133%0.329CS..Hα-helixtrans-80.5-38.9-178.7-92.1178.5000112.4F256 L260 I273 A292 A293 L299 L300F256-I296 HydrophobicContact CE1-CD1 3.86Å; F256-I296 HydrophobicContact CE1-CG1 3.91Å; F256-I296 HydrophobicContact CZ-CD1 3.57Å; F256-I296 HydrophobicContact CZ-CG1 4.02Å; L260-I296 HydrophobicContact CD1-CG1 4.2Å; L260-I296 HydrophobicContact CD2-CG1 4.22Å; I273-I296 HydrophobicContact CD1-CD1 3.95Å; A292-I296 PolarHBondContact O-N 3.36Å; A293-I296 PolarHBondContact O-N 2.9Å; I296-L299 PolarHBondContact O-N 2.82Å; I296-L299 VanDerWaalsContact O-N 3.09Å; I296-L300 HydrophobicContact CG2-CD1 3.25Å; I296-L300 HydrophobicContact CG2-CG 3.64Å; I296-L300 WeakPolarHBondContact O-CG 3.33Å; I296-L300 PolarHBondContact O-N 2.95Å
297K83.5Confident75.1Confident50 Ų5046.4 Ų46.422%0.21730%0.296CS..Hα-helixtrans-52.7-44.4-174.6-82.6166.9179.3173.10114.4A293 S301 D323 L326A293-K297 HydrophobicContact CB-CD 4.38Å; A293-K297 VanDerWaalsContact O-CB 3.3Å; A293-K297 WeakPolarHBondContact O-CB 3.49Å; A293-K297 WeakPolarHBondContact O-CD 3.47Å; A293-K297 WeakPolarHBondContact O-CG 3.46Å; A293-K297 PolarHBondContact O-N 3.08Å; K297-S301 VanDerWaalsContact O-CB 3.27Å; K297-S301 WeakPolarHBondContact O-CB 3.4Å; K297-S301 PolarHBondContact O-N 3.33Å; K297-S301 PolarHBondContact O-OG 2.85Å; K297-D323 WeakPolarHBondContact CE-OD2 3.45Å; K297-D323 IonicContact NZ-OD2 3.63Å; K297-D323 PolarHBondContact NZ-OD2 3.22Å; K297-L326 HydrophobicContact CG-CD2 3.87Å; K297-L326 HydrophobicContact CG-CG 4.18Å
298P83.1Confident77.8Confident76 Ų7642.1 Ų42.149%0.49425%0.251SS..Hα-helixtrans-62.4-44.6176.7-23.434.6000112.4N294 S301 S302N294-P298 WeakPolarHBondContact O-CD 3.46Å; P298-S301 CarbonylContact O-C 3.59Å; P298-S301 WeakPolarHBondContact O-CB 3.19Å; P298-S301 PolarHBondContact O-N 2.69Å; P298-S301 VanDerWaalsContact O-N 3.11Å; P298-S302 PolarHBondContact O-N 3.35Å; P298-S302 PolarHBondContact O-OG 2.99Å
299L83.5Confident79.9Confident22 Ų2238.8 Ų38.812%0.11522%0.217CC..Hα-helixtrans-69.8-40.2-175.6-62.9172.7000112.4L260 E264 I296 S301 S302 G303 K304 I305L260-L299 HydrophobicContact CB-CD1 3.62Å; L260-L299 HydrophobicContact CD1-CD1 3.86Å; L260-L299 HydrophobicContact CD2-CD1 3.97Å; L260-L299 HydrophobicContact CG-CD1 4.02Å; E264-L299 HydrophobicContact CG-CD2 4.42Å; I296-L299 PolarHBondContact O-N 2.82Å; I296-L299 VanDerWaalsContact O-N 3.09Å; L299-S301 PolarHBondContact O-N 2.61Å; L299-S302 WeakPolarHBondContact CA-OG 3.46Å; L299-S302 PolarHBondContact O-N 3.33Å; L299-S302 PolarHBondContact O-OG 3.49Å; L299-S302 VanDerWaalsContact O-OG 3.07Å; L299-G303 PolarHBondContact O-N 2.99Å; L299-K304 PolarHBondContact O-N 2.91Å; L299-I305 HydrophobicContact CB-CD1 3.65Å; L299-I305 HydrophobicContact CB-CG1 3.83Å; L299-I305 HydrophobicContact CB-CG2 4.32Å; L299-I305 HydrophobicContact CD1-CD1 4.13Å
300L84.9Confident81.9Confident3 Ų333.2 Ų33.22%0.01619%0.191CC..Hα-helixtrans-65.4-31.4171.1-64.1-179.2000111.8I296 G303 I305 V307 L326 R329 F330I296-L300 HydrophobicContact CG2-CD1 3.25Å; I296-L300 HydrophobicContact CG2-CG 3.64Å; I296-L300 WeakPolarHBondContact O-CG 3.33Å; I296-L300 PolarHBondContact O-N 2.95Å; L300-G303 PolarHBondContact O-N 3.33Å; L300-I305 HydrophobicContact CD2-CD1 4.19Å; L300-I305 HydrophobicContact CD2-CG1 4.02Å; L300-V307 HydrophobicContact CD2-CB 4.14Å; L300-V307 HydrophobicContact CD2-CG2 3.68Å; L300-L326 HydrophobicContact CD1-CD2 3.81Å; L300-R329 HydrophobicContact CB-CB 4.22Å; L300-R329 HydrophobicContact CB-CG 4.13Å; L300-R329 WeakPolarHBondContact O-CD 3.37Å; L300-F330 HydrophobicContact CD1-CD2 4.41Å; L300-F330 HydrophobicContact CD1-CE2 3.47Å; L300-F330 VanDerWaalsContact CD1-CE2 3.47Å; L300-F330 HydrophobicContact CD1-CZ 3.89Å
301S80.1Confident83.5Confident61 Ų6131.9 Ų31.943%0.42718%0.183SC..Hα-helixtrans-76.9-35.8178.4-68.20000113.7K297 P298 L299 R329K297-S301 VanDerWaalsContact O-CB 3.27Å; K297-S301 WeakPolarHBondContact O-CB 3.4Å; K297-S301 PolarHBondContact O-N 3.33Å; K297-S301 PolarHBondContact O-OG 2.85Å; P298-S301 CarbonylContact O-C 3.59Å; P298-S301 WeakPolarHBondContact O-CB 3.19Å; P298-S301 PolarHBondContact O-N 2.69Å; P298-S301 VanDerWaalsContact O-N 3.11Å; L299-S301 PolarHBondContact O-N 2.61Å; S301-R329 PolarHBondContact OG-NE 3.44Å; S301-R329 PolarHBondContact OG-NH2 3.46Å; S301-R329 VanDerWaalsContact OG-NH2 3.16Å
302S80.1Confident84.7Confident68 Ų6830.7 Ų30.748%0.47618%0.177SC..Hα-helixtrans-74.5-17.2171.157.30000112.6P298 L299 K304P298-S302 PolarHBondContact O-N 3.35Å; P298-S302 PolarHBondContact O-OG 2.99Å; L299-S302 WeakPolarHBondContact CA-OG 3.46Å; L299-S302 PolarHBondContact O-N 3.33Å; L299-S302 PolarHBondContact O-OG 3.49Å; L299-S302 VanDerWaalsContact O-OG 3.07Å; S302-K304 PolarHBondContact O-N 3.48Å; S302-K304 WeakPolarHBondContact OG-CG 3.29Å
303G78.6Confident85.5Confident37 Ų3733.8 Ų33.838%0.38119%0.189SC..THydrogen-bonded Turntrans69.622.4-177.600000113.1L299 L300L299-G303 PolarHBondContact O-N 2.99Å; L300-G303 PolarHBondContact O-N 3.33Å
304K81.4Confident85.7Confident110 Ų11038.1 Ų38.148%0.47821%0.209SC..  trans-80.1-22.8-178.5-68.7-174-174.6-169.10112.8E264 L299 S302E264-K304 HydrophobicContact CG-CB 4.01Å; E264-K304 HydrophobicContact CG-CD 3.63Å; E264-K304 HydrophobicContact CG-CG 4.47Å; E264-K304 WeakPolarHBondContact OE1-CD 3.5Å; E264-K304 WeakPolarHBondContact OE1-CE 3.36Å; E264-K304 IonicContact OE1-NZ 2.64Å; E264-K304 PolarHBondContact OE1-NZ 2.78Å; L299-K304 PolarHBondContact O-N 2.91Å; S302-K304 PolarHBondContact O-N 3.48Å; S302-K304 WeakPolarHBondContact OG-CG 3.29Å
305I87.4Confident86.1Confident4 Ų434.5 Ų34.52%0.02119%0.189CC..SBendtrans-120.4148174.871.7174.3000109.2L260 L263 L299 L300 V307L260-I305 HydrophobicContact CD2-CD1 4.01Å; L263-I305 HydrophobicContact CB-CG2 4.43Å; L299-I305 HydrophobicContact CB-CD1 3.65Å; L299-I305 HydrophobicContact CB-CG1 3.83Å; L299-I305 HydrophobicContact CB-CG2 4.32Å; L299-I305 HydrophobicContact CD1-CD1 4.13Å; L300-I305 HydrophobicContact CD2-CD1 4.19Å; L300-I305 HydrophobicContact CD2-CG1 4.02Å; I305-V307 HydrophobicContact CD1-CG2 3.95Å; I305-V307 HydrophobicContact CG1-CG2 4.2Å
306R91.8Very high86.3Confident35 Ų3533.9 Ų33.913%0.13218%0.184CC..EExtended strand (participates in β ladder)trans-109.2131.9171-71.3178.8-75.2178.3-1.5108.8L191 C232 T267 I270 L271L191-R306 HydrophobicContact CD2-CB 4.29Å; C232-R306 PolarHBondContact SG-NH2 2.98Å; T267-R306 PolarHBondContact O-NH2 3.48Å; I270-R306 WeakPolarHBondContact CA-O 3.46Å; I270-R306 HydrophobicContact CG1-CB 4.16Å; I270-R306 HydrophobicContact CG2-CB 4.47Å; L271-R306 PolarHBondContact N-O 3.49Å
307V93.4Very high86.2Confident1 Ų136.3 Ų36.31%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-126.3134.4-177.8179.60000110.8N198 P199 L271 I273 I276 L300 I305 F330N198-V307 CarbonylContact C-O 3.53Å; N198-V307 WeakPolarHBondContact CA-O 3.42Å; N198-V307 VanDerWaalsContact CB-O 3.25Å; N198-V307 WeakPolarHBondContact CB-O 3.47Å; N198-V307 PolarHBondContact OD1-N 2.97Å; P199-V307 WeakPolarHBondContact CD-O 3.26Å; L271-V307 HydrophobicContact CB-CG2 4.31Å; L271-V307 CarbonylContact O-C 3.55Å; L271-V307 WeakPolarHBondContact O-CA 3.43Å; I273-V307 HydrophobicContact CD1-CG1 3.97Å; I273-V307 HydrophobicContact CG1-CG1 4.19Å; I276-V307 HydrophobicContact CD1-CG1 3.99Å; L300-V307 HydrophobicContact CD2-CB 4.14Å; L300-V307 HydrophobicContact CD2-CG2 3.68Å; I305-V307 HydrophobicContact CD1-CG2 3.95Å; I305-V307 HydrophobicContact CG1-CG2 4.2Å; V307-F330 HydrophobicContact CB-CE1 4.3Å; V307-F330 HydrophobicContact CB-CZ 4.28Å; V307-F330 HydrophobicContact CG1-CE1 4.1Å; V307-F330 HydrophobicContact CG1-CZ 4.07Å
308I96Very high85.9Confident3 Ų337.3 Ų37.32%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-103.3115.1164.3-52.4178.4000106.5L191 P199 L201 L216 I270 L271 F272 I273L191-I308 HydrophobicContact CD1-CD1 4.11Å; L191-I308 HydrophobicContact CD1-CG1 4.4Å; L191-I308 HydrophobicContact CD2-CG1 4.21Å; P199-I308 HydrophobicContact CG-CB 4.21Å; P199-I308 HydrophobicContact CG-CG1 3.77Å; P199-I308 HydrophobicContact CG-CG2 4.15Å; P199-I308 WeakPolarHBondContact O-CA 3.18Å; L201-I308 HydrophobicContact CD1-CG2 4Å; L201-I308 HydrophobicContact CG-CG2 4.19Å; L216-I308 HydrophobicContact CD2-CD1 3.87Å; I270-I308 HydrophobicContact CG2-CD1 3.85Å; I270-I308 HydrophobicContact CG2-CG1 3.72Å; L271-I308 PolarHBondContact O-N 3.33Å; F272-I308 WeakPolarHBondContact CA-O 3.47Å; F272-I308 HydrophobicContact CD2-CB 3.93Å; F272-I308 HydrophobicContact CD2-CG2 3.77Å; F272-I308 WeakPolarHBondContact CD2-O 3.49Å; F272-I308 HydrophobicContact CE2-CG2 4.24Å; I273-I308 PolarHBondContact N-O 3.3Å
309G94.6Very high85.7Confident0 Ų035.6 Ų35.60%020%0.195CC..EExtended strand (participates in β ladder)trans-103.1145.3174.800000111.2P199 L200 L201P199-G309 PolarHBondContact O-N 3.41Å; L200-G309 CarbonylContact C-O 3.54Å; L200-G309 WeakPolarHBondContact CA-O 3.26Å; L201-G309 PolarHBondContact N-O 2.69Å
310S94Very high85.5Confident1 Ų134.6 Ų34.61%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-114.8142.3166.579.40000110.7L201 I273 D274 E275 I276L201-S310 WeakPolarHBondContact O-CA 3.45Å; I273-S310 PolarHBondContact O-N 3.49Å; I273-S310 VanDerWaalsContact O-N 3.1Å; D274-S310 VanDerWaalsContact CA-OG 3.29Å; D274-S310 WeakPolarHBondContact CA-OG 3.46Å; D274-S310 PolarHBondContact OD1-OG 2.92Å; E275-S310 WeakPolarHBondContact CA-O 3.47Å; E275-S310 PolarHBondContact N-O 2.98Å; E275-S310 PolarHBondContact N-OG 3.27Å; I276-S310 WeakPolarHBondContact CG2-O 3.21Å; I276-S310 PolarHBondContact N-O 2.9Å
311T91.6Very high85.2Confident2 Ų240.2 Ų40.21%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-160.2162.4177.7-170.20000110.7L200 L201 V202 G203 E315 F316L200-T311 HydrophobicContact CD1-CG2 3.93Å; L200-T311 HydrophobicContact CD2-CG2 4.21Å; L200-T311 HydrophobicContact CG-CG2 4.05Å; L201-T311 PolarHBondContact O-N 2.92Å; V202-T311 WeakPolarHBondContact CA-O 3.36Å; V202-T311 HydrophobicContact CG2-CG2 3.86Å; G203-T311 PolarHBondContact N-O 3.47Å; T311-E315 WeakPolarHBondContact CA-OE2 3.31Å; T311-E315 WeakPolarHBondContact CB-OE2 3.35Å; T311-E315 WeakPolarHBondContact OG1-CB 3.07Å; T311-E315 PolarHBondContact OG1-OE2 2.95Å; T311-F316 HydrophobicContact CG2-CB 4.13Å
312T90.5Very high85Confident11 Ų1144.9 Ų44.97%0.06723%0.229CC..  trans-82.6166172.568.20000112.2G203 Q314 E315 F316G203-T312 WeakPolarHBondContact O-CA 3.35Å; T312-Q314 VanDerWaalsContact C-N 3.29Å; T312-Q314 PolarHBondContact O-N 3.33Å; T312-E315 WeakPolarHBondContact CG2-OE1 3.26Å; T312-E315 PolarHBondContact N-OE2 3.32Å; T312-E315 VanDerWaalsContact OG1-CG 3.28Å; T312-E315 WeakPolarHBondContact OG1-CG 3.41Å; T312-E315 PolarHBondContact OG1-N 3.37Å; T312-E315 PolarHBondContact OG1-OE1 3.28Å; T312-E315 PolarHBondContact OG1-OE2 3.26Å; T312-F316 WeakPolarHBondContact O-CB 3.34Å; T312-F316 PolarHBondContact O-N 3.49Å
313Y87.1Confident84.9Confident67 Ų6743.2 Ų43.226%0.26322%0.215SC..Hα-helixtrans-60.3-40.6175.2-80.3-69.4000112.3V202 E204 F316 S317 D334V202-Y313 HydrophobicContact CG1-CD1 3.62Å; V202-Y313 HydrophobicContact CG1-CE1 3.8Å; V202-Y313 HydrophobicContact CG1-CG 4.11Å; E204-Y313 HydrophobicContact CG-CD2 4.33Å; Y313-F316 PolarHBondContact O-N 2.78Å; Y313-S317 PolarHBondContact O-N 3.29Å; Y313-S317 VanDerWaalsContact O-N 3.1Å; Y313-S317 PolarHBondContact O-OG 2.76Å; Y313-S317 VanDerWaalsContact O-OG 3.11Å; Y313-D334 WeakPolarHBondContact CE1-OD1 3.12Å; Y313-D334 PolarHBondContact OH-OD1 2.93Å
314Q78.4Confident84.8Confident92 Ų9250.3 Ų50.343%0.4323%0.23SC..Hα-helixtrans-63.6-48.9-180-66.5178.41.900111.2T312 F316 S317 N318 N579T312-Q314 VanDerWaalsContact C-N 3.29Å; T312-Q314 PolarHBondContact O-N 3.33Å; Q314-F316 PolarHBondContact O-N 2.87Å; Q314-S317 PolarHBondContact O-N 2.72Å; Q314-N318 VanDerWaalsContact O-CB 3.31Å; Q314-N318 WeakPolarHBondContact O-CB 3.35Å; Q314-N318 VanDerWaalsContact O-CG 3.25Å; Q314-N318 PolarHBondContact O-N 2.8Å; Q314-N318 PolarHBondContact O-ND2 2.81Å; Q314-N579 PolarHBondContact NE2-O 3.09Å
315E83.8Confident84.6Confident39 Ų3947.2 Ų47.218%0.18223%0.225CC..Hα-helixtrans-62.9-41.3177.4-70.5150.7-147.500112.3H277 T311 T312 N318 I319H277-E315 HydrophobicContact CB-CB 4.09Å; H277-E315 HydrophobicContact CB-CG 4.27Å; H277-E315 IonicContact CE1-OE1 2.74Å; H277-E315 PolarHBondContact CE1-OE1 2.91Å; H277-E315 IonicContact CE1-OE2 3.97Å; H277-E315 PolarHBondContact CE1-OE2 3.46Å; H277-E315 IonicContact CG-OE2 2.67Å; H277-E315 IonicContact ND1-OE1 3.74Å; H277-E315 IonicContact ND1-OE2 3.28Å; H277-E315 PolarHBondContact ND1-OE2 3.42Å; H277-E315 IonicContact NE2-OE1 2.92Å; H277-E315 IonicContact NE2-OE2 3.4Å; T311-E315 WeakPolarHBondContact CA-OE2 3.31Å; T311-E315 WeakPolarHBondContact CB-OE2 3.35Å; T311-E315 WeakPolarHBondContact OG1-CB 3.07Å; T311-E315 PolarHBondContact OG1-OE2 2.95Å; T312-E315 WeakPolarHBondContact CG2-OE1 3.26Å; T312-E315 PolarHBondContact N-OE2 3.32Å; T312-E315 VanDerWaalsContact OG1-CG 3.28Å; T312-E315 WeakPolarHBondContact OG1-CG 3.41Å; T312-E315 PolarHBondContact OG1-N 3.37Å; T312-E315 PolarHBondContact OG1-OE1 3.28Å; T312-E315 PolarHBondContact OG1-OE2 3.26Å; E315-N318 PolarHBondContact O-N 3.01Å; E315-I319 WeakPolarHBondContact O-CB 2.97Å; E315-I319 PolarHBondContact O-N 3.37Å
316F86.5Confident84.3Confident28 Ų2847 Ų4712%0.12322%0.224CC..Iπ-helixtrans-57.9-50.7176.6175.4-98.8000111.6L200 V202 T311 T312 Y313 Q314 N318 F320 E321 K332L200-F316 HydrophobicContact CD2-CD2 3.58Å; L200-F316 HydrophobicContact CD2-CE2 3.77Å; V202-F316 HydrophobicContact CG1-CB 3.89Å; V202-F316 HydrophobicContact CG1-CG 4.16Å; V202-F316 HydrophobicContact CG2-CB 4.32Å; V202-F316 HydrophobicContact CG2-CD2 3.87Å; V202-F316 HydrophobicContact CG2-CE2 4.49Å; V202-F316 HydrophobicContact CG2-CG 4.11Å; T311-F316 HydrophobicContact CG2-CB 4.13Å; T312-F316 WeakPolarHBondContact O-CB 3.34Å; T312-F316 PolarHBondContact O-N 3.49Å; Y313-F316 PolarHBondContact O-N 2.78Å; Q314-F316 PolarHBondContact O-N 2.87Å; F316-N318 VanDerWaalsContact C-N 3.34Å; F316-N318 PolarHBondContact O-N 3.39Å; F316-F320 HydrophobicContact CD2-CB 3.59Å; F316-F320 HydrophobicContact CD2-CG 4.17Å; F316-F320 HydrophobicContact CE2-CB 3.8Å; F316-F320 HydrophobicContact CG-CB 4.38Å; F316-F320 WeakPolarHBondContact O-CA 3.34Å; F316-F320 WeakPolarHBondContact O-CB 3.28Å; F316-F320 PolarHBondContact O-N 3.47Å; F316-E321 HydrophobicContact CD1-CG 4.04Å; F316-E321 HydrophobicContact CE1-CG 3.53Å; F316-E321 HydrophobicContact CZ-CG 3.98Å; F316-E321 PolarHBondContact O-N 2.92Å; F316-K332 HydrophobicContact CE1-CD 3.92Å; F316-K332 HydrophobicContact CE2-CD 4.37Å; F316-K332 HydrophobicContact CZ-CD 3.85Å; F316-K332 HydrophobicContact CZ-CG 4.49Å
317S80.1Confident83.7Confident52 Ų5247.3 Ų47.336%0.36423%0.234SC..Iπ-helixtrans-64.5-38.7178.6-59.40000112.2Y313 Q314Y313-S317 PolarHBondContact O-N 3.29Å; Y313-S317 VanDerWaalsContact O-N 3.1Å; Y313-S317 PolarHBondContact O-OG 2.76Å; Y313-S317 VanDerWaalsContact O-OG 3.11Å; Q314-S317 PolarHBondContact O-N 2.72Å
318N76.1Confident83.3Confident72 Ų7254.1 Ų54.139%0.38526%0.259SS..Iπ-helixtrans-75.1-36.1-176.1-75.7-20.6000113.6Q314 E315 F316 K322Q314-N318 VanDerWaalsContact O-CB 3.31Å; Q314-N318 WeakPolarHBondContact O-CB 3.35Å; Q314-N318 VanDerWaalsContact O-CG 3.25Å; Q314-N318 PolarHBondContact O-N 2.8Å; Q314-N318 PolarHBondContact O-ND2 2.81Å; E315-N318 PolarHBondContact O-N 3.01Å; F316-N318 VanDerWaalsContact C-N 3.34Å; F316-N318 PolarHBondContact O-N 3.39Å; N318-K322 VanDerWaalsContact O-CD 3.26Å; N318-K322 WeakPolarHBondContact O-CD 3.37Å; N318-K322 WeakPolarHBondContact O-CE 3.4Å; N318-K322 PolarHBondContact O-NZ 3.2Å
319I79.1Confident82.9Confident39 Ų3957.4 Ų57.420%0.227%0.271CS..Iπ-helixtrans-113.8-56.2-169.2-62.6162.9000110.9H277 I280 E315 D323H277-I319 HydrophobicContact CB-CD1 3.72Å; I280-I319 HydrophobicContact CB-CG2 4.45Å; I280-I319 HydrophobicContact CG2-CG2 3.75Å; E315-I319 WeakPolarHBondContact O-CB 2.97Å; E315-I319 PolarHBondContact O-N 3.37Å; I319-D323 PolarHBondContact O-N 3.11Å
320F81Confident82.8Confident1 Ų157.8 Ų57.80%0.00427%0.273CS..Iπ-helixtrans-74.5-38.9-171.8-80.8-92.1000113.6L200 I276 H277 I280 F316 K322 D323 L326 F330L200-F320 HydrophobicContact CD1-CE1 4.21Å; L200-F320 HydrophobicContact CD1-CE2 4.41Å; L200-F320 HydrophobicContact CD1-CZ 3.97Å; L200-F320 HydrophobicContact CD2-CD1 3.78Å; L200-F320 HydrophobicContact CD2-CD2 4.3Å; L200-F320 HydrophobicContact CD2-CE1 3.94Å; L200-F320 HydrophobicContact CD2-CE2 4.45Å; L200-F320 HydrophobicContact CD2-CG 3.96Å; L200-F320 HydrophobicContact CD2-CZ 4.26Å; I276-F320 HydrophobicContact CD1-CZ 4.47Å; I276-F320 HydrophobicContact CG1-CZ 4.43Å; I276-F320 HydrophobicContact CG2-CE2 3.77Å; I276-F320 HydrophobicContact CG2-CZ 3.49Å; I276-F320 VanDerWaalsContact CG2-CZ 3.49Å; H277-F320 HydrophobicContact CB-CE2 4.49Å; I280-F320 HydrophobicContact CD1-CE1 3.89Å; I280-F320 HydrophobicContact CD1-CE2 4.37Å; I280-F320 HydrophobicContact CD1-CZ 3.49Å; I280-F320 VanDerWaalsContact CD1-CZ 3.49Å; F316-F320 HydrophobicContact CD2-CB 3.59Å; F316-F320 HydrophobicContact CD2-CG 4.17Å; F316-F320 HydrophobicContact CE2-CB 3.8Å; F316-F320 HydrophobicContact CG-CB 4.38Å; F316-F320 WeakPolarHBondContact O-CA 3.34Å; F316-F320 WeakPolarHBondContact O-CB 3.28Å; F316-F320 PolarHBondContact O-N 3.47Å; F320-K322 VanDerWaalsContact C-N 3.25Å; F320-K322 PolarHBondContact O-N 3.45Å; F320-D323 PolarHBondContact O-N 3.1Å; F320-L326 HydrophobicContact CD1-CB 4.38Å; F320-F330 AromaticContact CE1-CD2 3.95Å; F320-F330 HydrophobicContact CE1-CD2 3.95Å; F320-F330 HydrophobicContact CE1-CE2 4.17Å; F320-F330 HydrophobicContact CE1-CG 4.41Å
321E76.8Confident82.7Confident122 Ų12259.8 Ų59.857%0.5728%0.282SS*.THydrogen-bonded Turntrans-65.3-31.6177.8-74.2-163.2154.200112.5F316F316-E321 HydrophobicContact CD1-CG 4.04Å; F316-E321 HydrophobicContact CE1-CG 3.53Å; F316-E321 HydrophobicContact CZ-CG 3.98Å; F316-E321 PolarHBondContact O-N 2.92Å
322K77Confident82.8Confident158 Ų15862.9 Ų62.969%0.68730%0.295SS*.THydrogen-bonded Turntrans-76.3-34.3177.8-61.2-173.4-169.6161.80111.9N318 F320 R324N318-K322 VanDerWaalsContact O-CD 3.26Å; N318-K322 WeakPolarHBondContact O-CD 3.37Å; N318-K322 WeakPolarHBondContact O-CE 3.4Å; N318-K322 PolarHBondContact O-NZ 3.2Å; F320-K322 VanDerWaalsContact C-N 3.25Å; F320-K322 PolarHBondContact O-N 3.45Å; K322-R324 PolarHBondContact O-N 3.34Å
323D78.7Confident83Confident34 Ų3462.8 Ų62.818%0.18229%0.294CS..  trans-85.191.1177.5-164.7-38.8000112.5K297 I319 F320 A325 L326 A327K297-D323 WeakPolarHBondContact CE-OD2 3.45Å; K297-D323 IonicContact NZ-OD2 3.63Å; K297-D323 PolarHBondContact NZ-OD2 3.22Å; I319-D323 PolarHBondContact O-N 3.11Å; F320-D323 PolarHBondContact O-N 3.1Å; D323-A325 PolarHBondContact O-N 3.12Å; D323-A325 VanDerWaalsContact O-N 3.13Å; D323-A325 WeakPolarHBondContact OD1-CA 3.35Å; D323-A325 VanDerWaalsContact OD1-CB 3.26Å; D323-A325 WeakPolarHBondContact OD1-CB 3.44Å; D323-A325 PolarHBondContact OD1-N 2.66Å; D323-L326 HydrophobicContact CB-CB 4.39Å; D323-L326 HydrophobicContact CB-CD1 4.24Å; D323-L326 PolarHBondContact O-N 3.31Å; D323-L326 PolarHBondContact OD1-N 2.97Å; D323-L326 VanDerWaalsContact OD1-N 3.15Å; D323-A327 WeakPolarHBondContact O-CB 3.12Å; D323-A327 PolarHBondContact O-N 2.88Å
324R76.3Confident83.4Confident186 Ų18663 Ų6370%0.70230%0.3SS*.Hα-helixtrans-57.6-24.9175.5-80.4-174.3154-165.8-4114.3K322 R328K322-R324 PolarHBondContact O-N 3.34Å; R324-R328 WeakPolarHBondContact O-CD 2.99Å; R324-R328 WeakPolarHBondContact O-CG 3.47Å
325A76.4Confident84.1Confident44 Ų4458.6 Ų58.636%0.36428%0.28SS..Hα-helixtrans-73.9-45.3-179.200000110.7D323D323-A325 PolarHBondContact O-N 3.12Å; D323-A325 VanDerWaalsContact O-N 3.13Å; D323-A325 WeakPolarHBondContact OD1-CA 3.35Å; D323-A325 VanDerWaalsContact OD1-CB 3.26Å; D323-A325 WeakPolarHBondContact OD1-CB 3.44Å; D323-A325 PolarHBondContact OD1-N 2.66Å
326L80.9Confident84.5Confident1 Ų160.8 Ų60.81%0.00530%0.296CS..Hα-helixtrans-74.5-41.9179.3-69.2168.6000112.5I280 K297 L300 F320 D323 R328 R329 F330I280-L326 HydrophobicContact CB-CD1 4.36Å; I280-L326 HydrophobicContact CD1-CD1 3.95Å; I280-L326 HydrophobicContact CG1-CD1 4.2Å; I280-L326 HydrophobicContact CG2-CD1 3.25Å; K297-L326 HydrophobicContact CG-CD2 3.87Å; K297-L326 HydrophobicContact CG-CG 4.18Å; L300-L326 HydrophobicContact CD1-CD2 3.81Å; F320-L326 HydrophobicContact CD1-CB 4.38Å; D323-L326 HydrophobicContact CB-CB 4.39Å; D323-L326 HydrophobicContact CB-CD1 4.24Å; D323-L326 PolarHBondContact O-N 3.31Å; D323-L326 PolarHBondContact OD1-N 2.97Å; D323-L326 VanDerWaalsContact OD1-N 3.15Å; L326-R328 PolarHBondContact O-N 3.28Å; L326-R329 PolarHBondContact O-N 2.94Å; L326-F330 HydrophobicContact CB-CD2 4.44Å; L326-F330 HydrophobicContact CD2-CE2 4.15Å; L326-F330 PolarHBondContact O-N 3.37Å
327A80.1Confident84.8Confident41 Ų4163.1 Ų63.134%0.33931%0.307SS..Hα-helixtrans-58-22.5176.500000113.2D323D323-A327 WeakPolarHBondContact O-CB 3.12Å; D323-A327 PolarHBondContact O-N 2.88Å
328R83.5Confident85.4Confident143 Ų14361 Ų6154%0.5429%0.292SS..THydrogen-bonded Turntrans-84.4-5.2175-71172.3-176.2-179.5-0.1114K196 R324 L326K196-R328 WeakPolarHBondContact CG-O 3.4Å; R324-R328 WeakPolarHBondContact O-CD 2.99Å; R324-R328 WeakPolarHBondContact O-CG 3.47Å; L326-R328 PolarHBondContact O-N 3.28Å
329R87.5Confident86.2Confident73 Ų7360.3 Ų60.328%0.27529%0.293SS..THydrogen-bonded Turntrans-116.4-30.7-179.6-56.9-58.3177.8-100.9-3.5112.7K196 N198 L300 S301 L326K196-R329 CarbonylContact C-O 3.6Å; K196-R329 VanDerWaalsContact CA-O 3.31Å; K196-R329 WeakPolarHBondContact CA-O 3.41Å; N198-R329 PolarHBondContact ND2-O 3.06Å; N198-R329 VanDerWaalsContact ND2-O 3.13Å; L300-R329 HydrophobicContact CB-CB 4.22Å; L300-R329 HydrophobicContact CB-CG 4.13Å; L300-R329 WeakPolarHBondContact O-CD 3.37Å; S301-R329 PolarHBondContact OG-NE 3.44Å; S301-R329 PolarHBondContact OG-NH2 3.46Å; S301-R329 VanDerWaalsContact OG-NH2 3.16Å; L326-R329 PolarHBondContact O-N 2.94Å
330F92.5Very high86.8Confident8 Ų861.4 Ų61.44%0.03530%0.299CS..EExtended strand (participates in β ladder)trans-87143.2172.8-74.7-82.2000111.4N198 L200 I276 L300 V307 F320 L326N198-F330 HydrophobicContact CB-CD1 3.54Å; N198-F330 HydrophobicContact CB-CE1 3.6Å; N198-F330 HydrophobicContact CB-CG 4.17Å; N198-F330 HydrophobicContact CB-CZ 4.24Å; N198-F330 CarbonylContact O-C 3.52Å; N198-F330 WeakPolarHBondContact O-CA 3.49Å; N198-F330 WeakPolarHBondContact O-CD1 3.35Å; L200-F330 HydrophobicContact CB-CB 4Å; L200-F330 HydrophobicContact CB-CD1 3.87Å; L200-F330 HydrophobicContact CB-CG 4.25Å; L200-F330 HydrophobicContact CD1-CD1 4.29Å; L200-F330 HydrophobicContact CD2-CB 4.37Å; I276-F330 HydrophobicContact CD1-CE1 3.97Å; I276-F330 HydrophobicContact CD1-CE2 4.4Å; I276-F330 HydrophobicContact CD1-CZ 3.57Å; L300-F330 HydrophobicContact CD1-CD2 4.41Å; L300-F330 HydrophobicContact CD1-CE2 3.47Å; L300-F330 VanDerWaalsContact CD1-CE2 3.47Å; L300-F330 HydrophobicContact CD1-CZ 3.89Å; V307-F330 HydrophobicContact CB-CE1 4.3Å; V307-F330 HydrophobicContact CB-CZ 4.28Å; V307-F330 HydrophobicContact CG1-CE1 4.1Å; V307-F330 HydrophobicContact CG1-CZ 4.07Å; F320-F330 AromaticContact CE1-CD2 3.95Å; F320-F330 HydrophobicContact CE1-CD2 3.95Å; F320-F330 HydrophobicContact CE1-CE2 4.17Å; F320-F330 HydrophobicContact CE1-CG 4.41Å; L326-F330 HydrophobicContact CB-CD2 4.44Å; L326-F330 HydrophobicContact CD2-CE2 4.15Å; L326-F330 PolarHBondContact O-N 3.37Å
331Q93.3Very high87.5Confident43 Ų4365.9 Ų65.920%0.20132%0.32CS..EExtended strand (participates in β ladder)trans-110.9114.5168177.761.564.100107.5V190 R193 N198 L200 I333V190-Q331 HydrophobicContact CG1-CB 3.7Å; V190-Q331 HydrophobicContact CG1-CG 4.28Å; V190-Q331 HydrophobicContact CG2-CB 3.96Å; V190-Q331 HydrophobicContact CG2-CG 3.57Å; R193-Q331 VanDerWaalsContact NH1-OE1 3.14Å; N198-Q331 PolarHBondContact O-N 3.1Å; L200-Q331 PolarHBondContact N-O 3.42Å; Q331-I333 PolarHBondContact O-N 3.01Å
332K93.2Very high88.3Confident66 Ų6664.9 Ų64.929%0.28732%0.315SS..EExtended strand (participates in β ladder)trans-60.4132174.5-174.7-177.9-178.2-138.50110.3V202 F316 D334V202-K332 HydrophobicContact CB-CG 4.19Å; V202-K332 HydrophobicContact CG2-CD 4.44Å; V202-K332 HydrophobicContact CG2-CG 3.8Å; F316-K332 HydrophobicContact CE1-CD 3.92Å; F316-K332 HydrophobicContact CE2-CD 4.37Å; F316-K332 HydrophobicContact CZ-CD 3.85Å; F316-K332 HydrophobicContact CZ-CG 4.49Å; K332-D334 WeakPolarHBondContact CE-OD1 3.42Å; K332-D334 WeakPolarHBondContact CE-OD2 3.08Å; K332-D334 IonicContact NZ-OD1 2.65Å; K332-D334 PolarHBondContact NZ-OD1 3.27Å; K332-D334 IonicContact NZ-OD2 3.61Å; K332-D334 PolarHBondContact NZ-OD2 3.22Å
333I95.1Very high89.2Confident9 Ų957.3 Ų57.35%0.04628%0.282CS..EExtended strand (participates in β ladder)trans-124.1112.5168-56179.5000106R186 A187 V190 P199 L200 L201 V202 Q331 I335R186-I333 HydrophobicContact CB-CD1 4.34Å; R186-I333 HydrophobicContact CB-CG2 4.48Å; R186-I333 HydrophobicContact CG-CD1 3.85Å; R186-I333 HydrophobicContact CG-CG1 3.95Å; R186-I333 HydrophobicContact CG-CG2 4.14Å; A187-I333 HydrophobicContact CB-CD1 4Å; V190-I333 HydrophobicContact CG2-CD1 4.24Å; P199-I333 HydrophobicContact CB-CD1 3.62Å; P199-I333 HydrophobicContact CB-CG1 4.45Å; L200-I333 PolarHBondContact O-N 3Å; L201-I333 HydrophobicContact CD2-CB 4.28Å; L201-I333 HydrophobicContact CD2-CD1 4.35Å; V202-I333 PolarHBondContact N-O 3.12Å; Q331-I333 PolarHBondContact O-N 3.01Å; I333-I335 HydrophobicContact CG2-CD1 3.86Å; I333-I335 PolarHBondContact O-N 2.76Å
334D94.6Very high90Very high71 Ų7156.3 Ų56.338%0.3828%0.277SS..EExtended strand (participates in β ladder)trans-74.2120.9178.4-77.9-71.3000110.1V202 Y313 K332V202-D334 WeakPolarHBondContact O-CA 3.44Å; Y313-D334 WeakPolarHBondContact CE1-OD1 3.12Å; Y313-D334 PolarHBondContact OH-OD1 2.93Å; K332-D334 WeakPolarHBondContact CE-OD1 3.42Å; K332-D334 WeakPolarHBondContact CE-OD2 3.08Å; K332-D334 IonicContact NZ-OD1 2.65Å; K332-D334 PolarHBondContact NZ-OD1 3.27Å; K332-D334 IonicContact NZ-OD2 3.61Å; K332-D334 PolarHBondContact NZ-OD2 3.22Å
335I94.2Very high90.8Very high1 Ų153 Ų531%0.00527%0.269CS..  trans-105.696.2175.5-49.8-53.8000107.5E183 L201 V202 G203 V207 I212 I333E183-I335 HydrophobicContact CB-CD1 3.88Å; E183-I335 HydrophobicContact CG-CD1 3.81Å; L201-I335 HydrophobicContact CB-CG1 4.17Å; L201-I335 HydrophobicContact CD2-CD1 4.23Å; L201-I335 HydrophobicContact CD2-CG1 4.49Å; V202-I335 PolarHBondContact O-N 2.95Å; G203-I335 WeakPolarHBondContact CA-O 3.29Å; V207-I335 HydrophobicContact CB-CG2 4.33Å; V207-I335 HydrophobicContact CG2-CB 4.14Å; V207-I335 HydrophobicContact CG2-CG2 3.62Å; I212-I335 HydrophobicContact CD1-CD1 3.43Å; I212-I335 VanDerWaalsContact CD1-CD1 3.43Å; I212-I335 HydrophobicContact CD1-CG1 3.95Å; I212-I335 HydrophobicContact CD1-CG2 4.06Å; I333-I335 HydrophobicContact CG2-CD1 3.86Å; I333-I335 PolarHBondContact O-N 2.76Å
336T92.2Very high91.7Very high84 Ų8451.8 Ų51.852%0.51526%0.257SS..PPolyproline II helixtrans-77.4154.8179.155.90000110.7R180R180-T336 PolarHBondContact NH1-O 2.65Å; R180-T336 PolarHBondContact NH2-O 3.11Å
337E92.6Very high92.3Very high77 Ų7752 Ų5236%0.3626%0.258SS..PPolyproline II helixtrans-56.7134.1169.2-171.4174.7-168.900110.1H382 L383 K386E337-H382 HydrophobicContact CG-CB 4.29Å; E337-H382 WeakPolarHBondContact OE1-CA 3.18Å; E337-H382 IonicContact OE2-CD2 3.81Å; E337-L383 HydrophobicContact CG-CB 3.83Å; E337-L383 HydrophobicContact CG-CG 4.45Å; E337-L383 WeakPolarHBondContact OE1-CG 3.31Å; E337-L383 PolarHBondContact OE1-N 2.97Å; E337-K386 IonicContact OE1-NZ 2.78Å
338P93.1Very high93Very high8 Ų853.2 Ų53.25%0.05226%0.259CS..PPolyproline II helixtrans-70.1152.4177.929.8-31.5000111E342 T343 I346 L383P338-E342 HydrophobicContact CB-CB 4.02Å; P338-T343 WeakPolarHBondContact CG-OG1 3.12Å; P338-I346 HydrophobicContact CB-CD1 4.33Å; P338-I346 HydrophobicContact CG-CD1 4.36Å; P338-L383 WeakPolarHBondContact CD-O 3.23Å; P338-L383 HydrophobicContact CG-CB 3.91Å
339S92.8Very high93.4Very high57 Ų5747.5 Ų47.540%0.39924%0.244SC..PPolyproline II helixtrans-66.3167173.364.90000112.1E341 E342 T343S339-E341 VanDerWaalsContact C-N 3.3Å; S339-E341 PolarHBondContact O-N 3.17Å; S339-E342 WeakPolarHBondContact CB-OE2 3.31Å; S339-E342 PolarHBondContact N-OE2 2.73Å; S339-E342 PolarHBondContact O-N 3.21Å; S339-E342 WeakPolarHBondContact OG-CB 3.45Å; S339-E342 VanDerWaalsContact OG-CD 3.3Å; S339-E342 VanDerWaalsContact OG-CG 3.29Å; S339-E342 WeakPolarHBondContact OG-CG 3.44Å; S339-E342 PolarHBondContact OG-N 3.44Å; S339-E342 PolarHBondContact OG-OE2 3.45Å; S339-T343 WeakPolarHBondContact O-CB 3.29Å; S339-T343 PolarHBondContact O-N 2.79Å; S339-T343 PolarHBondContact O-OG1 2.93Å
340I92Very high93.6Very high63 Ų6344.7 Ų44.732%0.32323%0.234SC..Hα-helixtrans-55.8-46.7176.2-66.2174.4000110.5T343 V344 V371 E372 V375I340-T343 PolarHBondContact O-N 2.82Å; I340-V344 WeakPolarHBondContact O-CG2 3.24Å; I340-V344 PolarHBondContact O-N 3.25Å; I340-V371 HydrophobicContact CB-CG1 4.22Å; I340-V371 HydrophobicContact CG1-CG1 4.32Å; I340-V371 HydrophobicContact CG2-CG1 3.83Å; I340-E372 HydrophobicContact CG2-CG 4.42Å; I340-V375 HydrophobicContact CG1-CG2 4.35Å
341E94.9Very high93.6Very high95 Ų9546 Ų4644%0.44424%0.24SC..Hα-helixtrans-69.1-40.3-177.9-68.2-60.9142.100112.3S339 T343 V344 Q345 R368S339-E341 VanDerWaalsContact C-N 3.3Å; S339-E341 PolarHBondContact O-N 3.17Å; E341-T343 VanDerWaalsContact C-N 3.31Å; E341-T343 PolarHBondContact O-N 3.26Å; E341-V344 PolarHBondContact O-N 3.16Å; E341-Q345 WeakPolarHBondContact O-CG 3.21Å; E341-Q345 PolarHBondContact O-N 2.93Å; E341-R368 IonicContact OE1-NE 2.78Å; E341-R368 IonicContact OE1-NH2 3.65Å; E341-R368 PolarHBondContact OE1-NH2 3.3Å; E341-R368 IonicContact OE2-NH2 3.49Å; E341-R368 PolarHBondContact OE2-NH2 2.88Å
342E93.6Very high93.6Very high100 Ų10047.9 Ų47.947%0.46726%0.256SS..Hα-helixtrans-62.1-40.6172.8-72.8165.4146.600111.2P338 S339 Q345 I346P338-E342 HydrophobicContact CB-CB 4.02Å; S339-E342 WeakPolarHBondContact CB-OE2 3.31Å; S339-E342 PolarHBondContact N-OE2 2.73Å; S339-E342 PolarHBondContact O-N 3.21Å; S339-E342 WeakPolarHBondContact OG-CB 3.45Å; S339-E342 VanDerWaalsContact OG-CD 3.3Å; S339-E342 VanDerWaalsContact OG-CG 3.29Å; S339-E342 WeakPolarHBondContact OG-CG 3.44Å; S339-E342 PolarHBondContact OG-N 3.44Å; S339-E342 PolarHBondContact OG-OE2 3.45Å; E342-Q345 WeakPolarHBondContact O-CB 3.44Å; E342-Q345 PolarHBondContact O-N 2.93Å; E342-Q345 VanDerWaalsContact O-N 3.16Å; E342-I346 VanDerWaalsContact O-CG1 3.31Å; E342-I346 WeakPolarHBondContact O-CG1 3.46Å; E342-I346 PolarHBondContact O-N 2.93Å
343T95Very high93.5Very high0 Ų048.7 Ų48.70%026%0.26CS..Hα-helixtrans-66.7-39.1177.9-54.50000112P338 S339 I340 E341 Q345 I346 I347 V371 L383 P384 A387P338-T343 WeakPolarHBondContact CG-OG1 3.12Å; S339-T343 WeakPolarHBondContact O-CB 3.29Å; S339-T343 PolarHBondContact O-N 2.79Å; S339-T343 PolarHBondContact O-OG1 2.93Å; I340-T343 PolarHBondContact O-N 2.82Å; E341-T343 VanDerWaalsContact C-N 3.31Å; E341-T343 PolarHBondContact O-N 3.26Å; T343-Q345 VanDerWaalsContact C-N 3.26Å; T343-Q345 PolarHBondContact O-N 2.77Å; T343-I346 PolarHBondContact O-N 2.75Å; T343-I347 HydrophobicContact CG2-CD1 4.1Å; T343-I347 HydrophobicContact CG2-CG1 4.4Å; T343-I347 WeakPolarHBondContact O-CG1 3.38Å; T343-I347 PolarHBondContact O-N 3Å; T343-V371 HydrophobicContact CG2-CG1 4.07Å; T343-V371 HydrophobicContact CG2-CG2 3.84Å; T343-L383 HydrophobicContact CG2-CB 4.39Å; T343-L383 HydrophobicContact CG2-CD2 4.14Å; T343-P384 HydrophobicContact CG2-CB 3.86Å; T343-A387 HydrophobicContact CG2-CB 4.14Å
344V95.8Very high93.4Very high13 Ų1350.6 Ų50.68%0.07927%0.267CS..Hα-helixtrans-60.2-39.5172.71690000110.6I340 E341 N348 V367 R368 V371I340-V344 WeakPolarHBondContact O-CG2 3.24Å; I340-V344 PolarHBondContact O-N 3.25Å; E341-V344 PolarHBondContact O-N 3.16Å; V344-N348 WeakPolarHBondContact CG1-ND2 3.23Å; V344-N348 WeakPolarHBondContact O-CB 3.3Å; V344-N348 VanDerWaalsContact O-CG 3.31Å; V344-N348 PolarHBondContact O-N 3.25Å; V344-N348 PolarHBondContact O-ND2 3.33Å; V344-V367 HydrophobicContact CG1-CG1 4.27Å; V344-R368 HydrophobicContact CG2-CB 4.45Å; V344-V371 HydrophobicContact CG2-CB 4.22Å; V344-V371 HydrophobicContact CG2-CG2 3.81Å
345Q94.4Very high93.4Very high115 Ų11549.3 Ų49.354%0.53726%0.258SS..Hα-helixtrans-65-45.5174.3-68.2175.44.200111.8I178 E341 E342 T343 I347 N348 G349I178-Q345 HydrophobicContact CG2-CB 4.16Å; E341-Q345 WeakPolarHBondContact O-CG 3.21Å; E341-Q345 PolarHBondContact O-N 2.93Å; E342-Q345 WeakPolarHBondContact O-CB 3.44Å; E342-Q345 PolarHBondContact O-N 2.93Å; E342-Q345 VanDerWaalsContact O-N 3.16Å; T343-Q345 VanDerWaalsContact C-N 3.26Å; T343-Q345 PolarHBondContact O-N 2.77Å; Q345-I347 PolarHBondContact O-N 3.38Å; Q345-N348 PolarHBondContact O-N 3.07Å; Q345-N348 VanDerWaalsContact O-N 3.16Å; Q345-G349 PolarHBondContact O-N 3.48Å
346I93.7Very high93.3Very high20 Ų2053.2 Ų53.210%0.10329%0.29CS..Hα-helixtrans-55.4-51.9176.3-68.3163000110.7I178 P338 E342 T343 N348 G349 L350 P384I178-I346 HydrophobicContact CB-CB 4.46Å; I178-I346 HydrophobicContact CB-CG1 4.07Å; I178-I346 HydrophobicContact CG2-CG1 4.27Å; I178-I346 WeakPolarHBondContact O-CG1 3.4Å; P338-I346 HydrophobicContact CB-CD1 4.33Å; P338-I346 HydrophobicContact CG-CD1 4.36Å; E342-I346 VanDerWaalsContact O-CG1 3.31Å; E342-I346 WeakPolarHBondContact O-CG1 3.46Å; E342-I346 PolarHBondContact O-N 2.93Å; T343-I346 PolarHBondContact O-N 2.75Å; I346-N348 VanDerWaalsContact C-N 3.31Å; I346-N348 PolarHBondContact O-N 3.34Å; I346-G349 PolarHBondContact O-N 2.64Å; I346-G349 VanDerWaalsContact O-N 3.11Å; I346-L350 HydrophobicContact CG2-CD1 4Å; I346-L350 WeakPolarHBondContact O-CG 3.35Å; I346-L350 PolarHBondContact O-N 3.34Å; I346-P384 HydrophobicContact CD1-CB 4.34Å; I346-P384 HydrophobicContact CD1-CG 4.39Å; I346-P384 HydrophobicContact CG2-CB 4.18Å; I346-P384 HydrophobicContact CG2-CG 4.43Å
347I94.6Very high93.3Very high5 Ų554.7 Ų54.73%0.02629%0.291CS..Hα-helixtrans-62.2-39.8179.1-64.9171.7000110.8T343 Q345 G349 L350 K351 V367 V371 A387 I391T343-I347 HydrophobicContact CG2-CD1 4.1Å; T343-I347 HydrophobicContact CG2-CG1 4.4Å; T343-I347 WeakPolarHBondContact O-CG1 3.38Å; T343-I347 PolarHBondContact O-N 3Å; Q345-I347 PolarHBondContact O-N 3.38Å; I347-G349 VanDerWaalsContact C-N 3.28Å; I347-G349 PolarHBondContact O-N 3.45Å; I347-L350 PolarHBondContact O-N 2.84Å; I347-K351 WeakPolarHBondContact O-CA 3.22Å; I347-K351 WeakPolarHBondContact O-CB 3.43Å; I347-K351 PolarHBondContact O-N 3.2Å; I347-V367 HydrophobicContact CB-CG1 3.88Å; I347-V367 HydrophobicContact CD1-CG1 4.49Å; I347-V367 HydrophobicContact CG2-CB 4.41Å; I347-V367 HydrophobicContact CG2-CG1 3.57Å; I347-V367 HydrophobicContact CG2-CG2 4.08Å; I347-V371 HydrophobicContact CD1-CG2 3.48Å; I347-V371 VanDerWaalsContact CD1-CG2 3.48Å; I347-A387 HydrophobicContact CD1-CB 3.72Å; I347-I391 HydrophobicContact CD1-CG1 4.34Å; I347-I391 HydrophobicContact CG2-CD1 4.34Å; I347-I391 HydrophobicContact CG2-CG1 4.01Å
348N94.4Very high93.3Very high67 Ų6751.4 Ų51.436%0.35828%0.276SS..Hα-helixtrans-64.3-30.7177.1-79.5-50000113.3V344 Q345 I346V344-N348 WeakPolarHBondContact CG1-ND2 3.23Å; V344-N348 WeakPolarHBondContact O-CB 3.3Å; V344-N348 VanDerWaalsContact O-CG 3.31Å; V344-N348 PolarHBondContact O-N 3.25Å; V344-N348 PolarHBondContact O-ND2 3.33Å; Q345-N348 PolarHBondContact O-N 3.07Å; Q345-N348 VanDerWaalsContact O-N 3.16Å; I346-N348 VanDerWaalsContact C-N 3.31Å; I346-N348 PolarHBondContact O-N 3.34Å
349G91.4Very high93.2Very high23 Ų2357.4 Ų57.424%0.23731%0.308CS..Hα-helixtrans-75.7-34.2173.800000113.5Q345 I346 I347 P352Q345-G349 PolarHBondContact O-N 3.48Å; I346-G349 PolarHBondContact O-N 2.64Å; I346-G349 VanDerWaalsContact O-N 3.11Å; I347-G349 VanDerWaalsContact C-N 3.28Å; I347-G349 PolarHBondContact O-N 3.45Å; G349-P352 WeakPolarHBondContact O-CD 3.45Å
350L91.9Very high93.2Very high13 Ų1355.3 Ų55.37%0.06829%0.292CS..Hα-helixtrans-79.8-23175.2-62176.1000113.1D175 P176 I346 I347 P352 K353 Y354 I388D175-L350 HydrophobicContact CB-CD2 3.73Å; P176-L350 HydrophobicContact CG-CD2 4.33Å; I346-L350 HydrophobicContact CG2-CD1 4Å; I346-L350 WeakPolarHBondContact O-CG 3.35Å; I346-L350 PolarHBondContact O-N 3.34Å; I347-L350 PolarHBondContact O-N 2.84Å; L350-P352 VanDerWaalsContact C-CD 3.46Å; L350-K353 PolarHBondContact O-N 2.86Å; L350-Y354 HydrophobicContact CB-CD2 4.02Å; L350-Y354 HydrophobicContact CB-CE2 3.93Å; L350-Y354 HydrophobicContact CD1-CE2 4.42Å; L350-Y354 PolarHBondContact O-N 2.83Å; L350-I388 HydrophobicContact CD1-CD1 3.83Å; L350-I388 HydrophobicContact CD1-CG1 4.28Å
351K92.8Very high93.3Very high37 Ų3760.4 Ų60.416%0.16131%0.307CS..Hα-helixtrans-47.6-47.3-174.6171.3-179.4171.3179.90113.8I347 K353 Y354 E355 Y362I347-K351 WeakPolarHBondContact O-CA 3.22Å; I347-K351 WeakPolarHBondContact O-CB 3.43Å; I347-K351 PolarHBondContact O-N 3.2Å; K351-K353 PolarHBondContact O-N 3.4Å; K351-Y354 PolarHBondContact O-N 2.76Å; K351-E355 WeakPolarHBondContact CE-OE1 3.41Å; K351-E355 HydrophobicContact CG-CG 3.89Å; K351-E355 IonicContact NZ-OE1 3Å; K351-E355 WeakPolarHBondContact O-CB 3.29Å; K351-E355 VanDerWaalsContact O-CG 3.29Å; K351-E355 WeakPolarHBondContact O-CG 3.18Å; K351-E355 PolarHBondContact O-N 3.26Å; K351-Y362 VanDerWaalsContact CE-O 3.25Å; K351-Y362 WeakPolarHBondContact CE-O 3.23Å; K351-Y362 HydrophobicContact CG-CD2 4.48Å; K351-Y362 PolarHBondContact NZ-O 3.34Å
352P93Very high93.3Very high82 Ų8256 Ų5653%0.53229%0.287SS..Hα-helixtrans-58-35.3-179.5-25.135.5000113.7G349 L350 A356G349-P352 WeakPolarHBondContact O-CD 3.45Å; L350-P352 VanDerWaalsContact C-CD 3.46Å; P352-A356 WeakPolarHBondContact O-CB 3.49Å; P352-A356 PolarHBondContact O-N 3.37Å; P352-A356 VanDerWaalsContact O-N 3.07Å
353K91.6Very high93.4Very high83 Ų8353.2 Ų53.236%0.36128%0.277SS..Hα-helixtrans-70.4-45.4177.7-69.5-169.5177.4-166.20111.4I174 D175 L350 K351 A356 H357I174-K353 PolarHBondContact O-NZ 3.09Å; D175-K353 WeakPolarHBondContact OD1-CD 3.33Å; D175-K353 WeakPolarHBondContact OD1-CE 3.13Å; D175-K353 IonicContact OD1-NZ 2.93Å; D175-K353 PolarHBondContact OD1-NZ 3.4Å; L350-K353 PolarHBondContact O-N 2.86Å; K351-K353 PolarHBondContact O-N 3.4Å; K353-A356 PolarHBondContact O-N 3.11Å; K353-H357 WeakPolarHBondContact O-CB 3.45Å; K353-H357 PolarHBondContact O-N 2.99Å
354Y93.4Very high93.4Very high49 Ų4956.7 Ų56.719%0.19231%0.305CS..Hα-helixtrans-65.9-38.6176.3-76-74000112.8L350 K351 H357 H358 I388 D392L350-Y354 HydrophobicContact CB-CD2 4.02Å; L350-Y354 HydrophobicContact CB-CE2 3.93Å; L350-Y354 HydrophobicContact CD1-CE2 4.42Å; L350-Y354 PolarHBondContact O-N 2.83Å; K351-Y354 PolarHBondContact O-N 2.76Å; Y354-H357 PolarHBondContact O-N 3.36Å; Y354-H358 WeakPolarHBondContact O-CB 3.49Å; Y354-H358 PolarHBondContact O-CD2 3.16Å; Y354-H358 PolarHBondContact O-N 2.99Å; Y354-I388 HydrophobicContact CE2-CG2 4.12Å; Y354-I388 WeakPolarHBondContact OH-CG2 3.49Å; Y354-D392 HydrophobicContact CD1-CB 4.33Å; Y354-D392 HydrophobicContact CE1-CB 3.93Å; Y354-D392 WeakPolarHBondContact CE1-OD1 3.41Å
355E94.4Very high93.4Very high44 Ų4464 Ų6421%0.20634%0.336CS..Hα-helixtrans-61-44.5174.4-73-170.5149.800111.2K351 D359 V360 R361 Y362K351-E355 WeakPolarHBondContact CE-OE1 3.41Å; K351-E355 HydrophobicContact CG-CG 3.89Å; K351-E355 IonicContact NZ-OE1 3Å; K351-E355 WeakPolarHBondContact O-CB 3.29Å; K351-E355 VanDerWaalsContact O-CG 3.29Å; K351-E355 WeakPolarHBondContact O-CG 3.18Å; K351-E355 PolarHBondContact O-N 3.26Å; E355-D359 WeakPolarHBondContact O-CA 3.45Å; E355-D359 PolarHBondContact O-N 3.33Å; E355-V360 VanDerWaalsContact CA-O 3.23Å; E355-V360 WeakPolarHBondContact CA-O 3.31Å; E355-V360 WeakPolarHBondContact CB-O 3.43Å; E355-V360 WeakPolarHBondContact CG-O 3.4Å; E355-V360 PolarHBondContact O-N 3.04Å; E355-R361 VanDerWaalsContact OE1-CA 3.24Å; E355-R361 WeakPolarHBondContact OE1-CA 3.44Å; E355-R361 VanDerWaalsContact OE1-CG 3.31Å; E355-R361 WeakPolarHBondContact OE1-CG 3.29Å; E355-Y362 HydrophobicContact CG-CD2 3.58Å; E355-Y362 HydrophobicContact CG-CE2 4.02Å; E355-Y362 PolarHBondContact OE1-N 3.03Å
356A92.4Very high93.4Very high82 Ų8258.6 Ų58.668%0.67831%0.311SS*.Hα-helixtrans-67.1-40.3176.200000112.7P352 K353P352-A356 WeakPolarHBondContact O-CB 3.49Å; P352-A356 PolarHBondContact O-N 3.37Å; P352-A356 VanDerWaalsContact O-N 3.07Å; K353-A356 PolarHBondContact O-N 3.11Å
357H91.6Very high93.5Very high115 Ų11557.7 Ų57.753%0.53231%0.306SS..Hα-helixtrans-66.2-40.4-179.5-178.6-97.3000112.6K353 Y354 R399K353-H357 WeakPolarHBondContact O-CB 3.45Å; K353-H357 PolarHBondContact O-N 2.99Å; Y354-H357 PolarHBondContact O-N 3.36Å; H357-R399 PolarHBondContact O-NH1 2.71Å
358H92.2Very high93.6Very high9 Ų962.7 Ų62.74%0.04232%0.324CS..Hα-helixtrans-97.3-9.4-176.1-67.2-57.9000114.8Y354 V360 D392 A396Y354-H358 WeakPolarHBondContact O-CB 3.49Å; Y354-H358 PolarHBondContact O-CD2 3.16Å; Y354-H358 PolarHBondContact O-N 2.99Å; H358-V360 VanDerWaalsContact C-N 3.34Å; H358-V360 HydrophobicContact CB-CG1 4.41Å; H358-V360 HydrophobicContact CB-CG2 3.81Å; H358-D392 IonicContact CD2-OD1 3.25Å; H358-D392 IonicContact CE1-OD1 3.96Å; H358-D392 PolarHBondContact CE1-OD1 3.43Å; H358-D392 PolarHBondContact NE2-O 2.93Å; H358-D392 IonicContact NE2-OD1 3.82Å; H358-D392 PolarHBondContact NE2-OD1 3.06Å; H358-A396 PolarHBondContact ND1-N 3.46Å
359D90.4Very high93.4Very high134 Ų13460 Ų6072%0.71731%0.311SS*.THydrogen-bonded Turntrans56.945.8-172.5-169.235.5000112.2E355E355-D359 WeakPolarHBondContact O-CA 3.45Å; E355-D359 PolarHBondContact O-N 3.33Å
360V93.3Very high93.5Very high12 Ų1258.9 Ų58.97%0.07330%0.3CS..  trans-136.1164.5179.5-58.40000111.3E355 H358 Y362 A398 K408 V410E355-V360 VanDerWaalsContact CA-O 3.23Å; E355-V360 WeakPolarHBondContact CA-O 3.31Å; E355-V360 WeakPolarHBondContact CB-O 3.43Å; E355-V360 WeakPolarHBondContact CG-O 3.4Å; E355-V360 PolarHBondContact O-N 3.04Å; H358-V360 VanDerWaalsContact C-N 3.34Å; H358-V360 HydrophobicContact CB-CG1 4.41Å; H358-V360 HydrophobicContact CB-CG2 3.81Å; V360-Y362 HydrophobicContact CG2-CD2 4.39Å; V360-Y362 HydrophobicContact CG2-CE1 4.37Å; V360-Y362 HydrophobicContact CG2-CE2 3.73Å; V360-A398 HydrophobicContact CG1-CB 3.84Å; V360-K408 CarbonylContact C-O 3.55Å; V360-K408 WeakPolarHBondContact CA-O 3.38Å; V360-V410 HydrophobicContact CB-CG2 4.26Å; V360-V410 HydrophobicContact CG2-CG2 4.13Å
361R94.5Very high93.6Very high171 Ų17158.2 Ų58.265%0.64530%0.297SS*.EExtended strand (participates in β ladder)trans-115.7127.8172.6-167.6178.8-176.5-1790.2111.1E355 K408 T409 V410E355-R361 VanDerWaalsContact OE1-CA 3.24Å; E355-R361 WeakPolarHBondContact OE1-CA 3.44Å; E355-R361 VanDerWaalsContact OE1-CG 3.31Å; E355-R361 WeakPolarHBondContact OE1-CG 3.29Å; R361-K408 PolarHBondContact N-O 3.01Å; R361-T409 CarbonylContact O-C 3.57Å; R361-T409 VanDerWaalsContact O-CA 3.25Å; R361-T409 WeakPolarHBondContact O-CA 3.33Å; R361-T409 WeakPolarHBondContact O-CG2 3.42Å; R361-V410 PolarHBondContact O-N 2.94Å
362Y96Very high93.5Very high2 Ų261 Ų611%0.00831%0.31CS..EExtended strand (participates in β ladder)trans-92.6126.2175.5-60-86.5000110.6K351 E355 V360 I391 G395 V410K351-Y362 VanDerWaalsContact CE-O 3.25Å; K351-Y362 WeakPolarHBondContact CE-O 3.23Å; K351-Y362 HydrophobicContact CG-CD2 4.48Å; K351-Y362 PolarHBondContact NZ-O 3.34Å; E355-Y362 HydrophobicContact CG-CD2 3.58Å; E355-Y362 HydrophobicContact CG-CE2 4.02Å; E355-Y362 PolarHBondContact OE1-N 3.03Å; V360-Y362 HydrophobicContact CG2-CD2 4.39Å; V360-Y362 HydrophobicContact CG2-CE1 4.37Å; V360-Y362 HydrophobicContact CG2-CE2 3.73Å; Y362-I391 HydrophobicContact CD1-CD1 4.14Å; Y362-I391 HydrophobicContact CD1-CG2 4.19Å; Y362-I391 HydrophobicContact CD2-CG2 4.47Å; Y362-I391 HydrophobicContact CE1-CD1 4.42Å; Y362-I391 HydrophobicContact CE1-CG2 3.74Å; Y362-I391 WeakPolarHBondContact CE1-O 3.48Å; Y362-I391 HydrophobicContact CE2-CG2 4.08Å; Y362-I391 PolarHBondContact OH-O 2.89Å; Y362-G395 WeakPolarHBondContact OH-CA 3.23Å; Y362-G395 PolarHBondContact OH-N 3.4Å; Y362-V410 HydrophobicContact CD1-CB 3.7Å; Y362-V410 HydrophobicContact CD1-CG1 3.93Å; Y362-V410 HydrophobicContact CD1-CG2 4.01Å; Y362-V410 HydrophobicContact CE1-CB 4.06Å; Y362-V410 HydrophobicContact CE1-CG1 4.14Å; Y362-V410 HydrophobicContact CE1-CG2 3.89Å
363T95.6Very high93.2Very high42 Ų4258.2 Ų58.226%0.25829%0.291SS..  trans-70.4149.5172.862.50000110.9K365 A366 V367 T409 V410 N411T363-K365 PolarHBondContact O-N 3.16Å; T363-A366 WeakPolarHBondContact O-CB 3.43Å; T363-A366 PolarHBondContact O-N 3.3Å; T363-A366 WeakPolarHBondContact OG1-CB 3.42Å; T363-A366 PolarHBondContact OG1-N 3.23Å; T363-A366 VanDerWaalsContact OG1-N 3.13Å; T363-V367 PolarHBondContact O-N 2.99Å; T363-T409 HydrophobicContact CG2-CG2 3.59Å; T363-V410 PolarHBondContact N-O 2.89Å; T363-V410 PolarHBondContact OG1-O 3.48Å; T363-N411 VanDerWaalsContact CG2-OD1 3.3Å; T363-N411 WeakPolarHBondContact CG2-OD1 3.35Å
364A94.7Very high93Very high72 Ų7254.3 Ų54.360%0.59527%0.274SS*.Hα-helixtrans-58.9-34.3176.700000112.3V367 R368A364-V367 PolarHBondContact O-N 3.39Å; A364-R368 PolarHBondContact O-N 2.89Å; A364-R368 VanDerWaalsContact O-N 3.16Å
365K94.7Very high92.5Very high168 Ų16854.4 Ų54.473%0.7328%0.279SS*.Hα-helixtrans-66.1-39.2173.4-66.9-174.5177.6-176.90112.2T363 A369 V412T363-K365 PolarHBondContact O-N 3.16Å; K365-A369 VanDerWaalsContact O-CB 3.27Å; K365-A369 WeakPolarHBondContact O-CB 3.14Å; K365-A369 PolarHBondContact O-N 2.61Å; K365-V412 HydrophobicContact CB-CG2 3.8Å
366A94.4Very high91.7Very high0 Ų056.3 Ų56.30%029%0.287CS..Hα-helixtrans-65.1-41.7175.700000111.9T363 A369 A370 V410 I415T363-A366 WeakPolarHBondContact O-CB 3.43Å; T363-A366 PolarHBondContact O-N 3.3Å; T363-A366 WeakPolarHBondContact OG1-CB 3.42Å; T363-A366 PolarHBondContact OG1-N 3.23Å; T363-A366 VanDerWaalsContact OG1-N 3.13Å; A366-A369 PolarHBondContact O-N 3.34Å; A366-A370 WeakPolarHBondContact O-CB 3.4Å; A366-A370 PolarHBondContact O-N 3.07Å; A366-V410 WeakPolarHBondContact CB-O 3.06Å; A366-I415 HydrophobicContact CB-CG1 3.87Å
367V96.3Very high91Very high1 Ų154.8 Ų54.81%0.00626%0.264CS..Hα-helixtrans-58.8-50.4175.8171.30000111.2V344 I347 T363 A364 A369 A370 V371 I391V344-V367 HydrophobicContact CG1-CG1 4.27Å; I347-V367 HydrophobicContact CB-CG1 3.88Å; I347-V367 HydrophobicContact CD1-CG1 4.49Å; I347-V367 HydrophobicContact CG2-CB 4.41Å; I347-V367 HydrophobicContact CG2-CG1 3.57Å; I347-V367 HydrophobicContact CG2-CG2 4.08Å; T363-V367 PolarHBondContact O-N 2.99Å; A364-V367 PolarHBondContact O-N 3.39Å; V367-A369 PolarHBondContact O-N 2.87Å; V367-A370 WeakPolarHBondContact O-CB 3.16Å; V367-A370 PolarHBondContact O-N 3.46Å; V367-V371 PolarHBondContact O-N 2.86Å; V367-I391 HydrophobicContact CG2-CD1 4.37Å
368R95.9Very high90.5Very high110 Ų11049.4 Ų49.442%0.41524%0.239SC..Hα-helixtrans-62.2-43.7177.5179.8171.1-79.1155.1-6.3112E341 V344 A364 A370 V371 E372E341-R368 IonicContact OE1-NE 2.78Å; E341-R368 IonicContact OE1-NH2 3.65Å; E341-R368 PolarHBondContact OE1-NH2 3.3Å; E341-R368 IonicContact OE2-NH2 3.49Å; E341-R368 PolarHBondContact OE2-NH2 2.88Å; V344-R368 HydrophobicContact CG2-CB 4.45Å; A364-R368 PolarHBondContact O-N 2.89Å; A364-R368 VanDerWaalsContact O-N 3.16Å; R368-A370 VanDerWaalsContact C-N 3.28Å; R368-A370 PolarHBondContact O-N 2.75Å; R368-V371 PolarHBondContact O-N 3.33Å; R368-E372 WeakPolarHBondContact CD-OE1 3.49Å; R368-E372 HydrophobicContact CG-CG 4.27Å; R368-E372 VanDerWaalsContact CG-OE1 3.22Å; R368-E372 WeakPolarHBondContact CG-OE1 3.25Å; R368-E372 WeakPolarHBondContact O-CG 3.3Å; R368-E372 PolarHBondContact O-N 2.84Å
369A91.2Very high89.6Confident10 Ų1052.6 Ų52.68%0.08326%0.257CS..Hα-helixtrans-60.5-37.6176.500000112.1K365 A366 V367 V371 E372 L373 V412 I415K365-A369 VanDerWaalsContact O-CB 3.27Å; K365-A369 WeakPolarHBondContact O-CB 3.14Å; K365-A369 PolarHBondContact O-N 2.61Å; A366-A369 PolarHBondContact O-N 3.34Å; V367-A369 PolarHBondContact O-N 2.87Å; A369-V371 VanDerWaalsContact C-N 3.34Å; A369-V371 PolarHBondContact O-N 3.03Å; A369-E372 PolarHBondContact O-N 2.77Å; A369-L373 HydrophobicContact CB-CD1 4.31Å; A369-L373 WeakPolarHBondContact O-CB 3.49Å; A369-L373 WeakPolarHBondContact O-CD1 3.29Å; A369-L373 WeakPolarHBondContact O-CG 3.46Å; A369-L373 PolarHBondContact O-N 2.81Å; A369-V412 HydrophobicContact CB-CG1 3.88Å; A369-V412 HydrophobicContact CB-CG2 4.29Å; A369-I415 HydrophobicContact CB-CG2 4.42Å
370A93.6Very high88.8Confident0 Ų051.5 Ų51.50%025%0.251CS..Hα-helixtrans-61.2-44.3177.700000111.3A366 V367 R368 A374 V390 I391 I415A366-A370 WeakPolarHBondContact O-CB 3.4Å; A366-A370 PolarHBondContact O-N 3.07Å; V367-A370 WeakPolarHBondContact O-CB 3.16Å; V367-A370 PolarHBondContact O-N 3.46Å; R368-A370 VanDerWaalsContact C-N 3.28Å; R368-A370 PolarHBondContact O-N 2.75Å; A370-A374 WeakPolarHBondContact O-CB 3.31Å; A370-A374 PolarHBondContact O-N 3.19Å; A370-V390 HydrophobicContact CB-CB 4.4Å; A370-V390 HydrophobicContact CB-CG1 3.77Å; A370-I391 HydrophobicContact CB-CD1 3.69Å; A370-I391 HydrophobicContact CB-CG1 3.96Å; A370-I415 VanDerWaalsContact CA-CG2 3.49Å; A370-I415 HydrophobicContact CB-CD1 4.25Å; A370-I415 HydrophobicContact CB-CG2 3.85Å
371V94.4Very high88.5Confident0 Ų054.1 Ų54.10%026%0.259CS..Hα-helixtrans-66.2-51.7177-175.70000111.3I340 T343 V344 I347 V367 R368 A369 L373 A374 V375 L383 A387I340-V371 HydrophobicContact CB-CG1 4.22Å; I340-V371 HydrophobicContact CG1-CG1 4.32Å; I340-V371 HydrophobicContact CG2-CG1 3.83Å; T343-V371 HydrophobicContact CG2-CG1 4.07Å; T343-V371 HydrophobicContact CG2-CG2 3.84Å; V344-V371 HydrophobicContact CG2-CB 4.22Å; V344-V371 HydrophobicContact CG2-CG2 3.81Å; I347-V371 HydrophobicContact CD1-CG2 3.48Å; I347-V371 VanDerWaalsContact CD1-CG2 3.48Å; V367-V371 PolarHBondContact O-N 2.86Å; R368-V371 PolarHBondContact O-N 3.33Å; A369-V371 VanDerWaalsContact C-N 3.34Å; A369-V371 PolarHBondContact O-N 3.03Å; V371-L373 PolarHBondContact O-N 3.2Å; V371-A374 PolarHBondContact O-N 2.94Å; V371-V375 WeakPolarHBondContact O-CG2 3.27Å; V371-V375 PolarHBondContact O-N 2.71Å; V371-L383 HydrophobicContact CG1-CD1 4.23Å; V371-L383 HydrophobicContact CG1-CD2 4.26Å; V371-A387 HydrophobicContact CG2-CB 4.07Å
372E89.9Confident88.2Confident95 Ų9548.4 Ų48.444%0.44424%0.24SC..Hα-helixtrans-62.3-43.7-177-71.8174.5-176.700112.3I340 R368 A369 V375 K376I340-E372 HydrophobicContact CG2-CG 4.42Å; R368-E372 WeakPolarHBondContact CD-OE1 3.49Å; R368-E372 HydrophobicContact CG-CG 4.27Å; R368-E372 VanDerWaalsContact CG-OE1 3.22Å; R368-E372 WeakPolarHBondContact CG-OE1 3.25Å; R368-E372 WeakPolarHBondContact O-CG 3.3Å; R368-E372 PolarHBondContact O-N 2.84Å; A369-E372 PolarHBondContact O-N 2.77Å; E372-V375 PolarHBondContact O-N 2.78Å; E372-K376 WeakPolarHBondContact O-CB 3.41Å; E372-K376 PolarHBondContact O-N 3.2Å
373L86.7Confident88.1Confident24 Ų2448.5 Ų48.513%0.12624%0.241CC..Hα-helixtrans-72.1-37.2179.2-64.9172.1000111.4A369 V371 K376 Y377 I415 E416 V419A369-L373 HydrophobicContact CB-CD1 4.31Å; A369-L373 WeakPolarHBondContact O-CB 3.49Å; A369-L373 WeakPolarHBondContact O-CD1 3.29Å; A369-L373 WeakPolarHBondContact O-CG 3.46Å; A369-L373 PolarHBondContact O-N 2.81Å; V371-L373 PolarHBondContact O-N 3.2Å; L373-K376 PolarHBondContact O-N 3.31Å; L373-Y377 HydrophobicContact CB-CD2 4.26Å; L373-Y377 HydrophobicContact CD2-CD2 4.02Å; L373-Y377 HydrophobicContact CD2-CE2 3.66Å; L373-Y377 VanDerWaalsContact O-CB 3.31Å; L373-Y377 WeakPolarHBondContact O-CB 3.26Å; L373-Y377 WeakPolarHBondContact O-CD2 3.27Å; L373-Y377 PolarHBondContact O-N 2.87Å; L373-I415 HydrophobicContact CD1-CG2 4.04Å; L373-E416 HydrophobicContact CD1-CB 4.44Å; L373-E416 HydrophobicContact CD1-CG 3.61Å; L373-V419 HydrophobicContact CB-CB 4.35Å; L373-V419 HydrophobicContact CB-CG1 4.09Å; L373-V419 HydrophobicContact CB-CG2 3.92Å
374A87.5Confident88Confident0 Ų047.1 Ų47.10%023%0.232CC..Hα-helixtrans-62.8-41.7173.700000111.6A370 V371 K376 I378 K386 A387 V390A370-A374 WeakPolarHBondContact O-CB 3.31Å; A370-A374 PolarHBondContact O-N 3.19Å; V371-A374 PolarHBondContact O-N 2.94Å; A374-K376 VanDerWaalsContact C-N 3.33Å; A374-K376 PolarHBondContact O-N 2.86Å; A374-I378 HydrophobicContact CB-CD1 4.19Å; A374-I378 CarbonylContact O-C 3.58Å; A374-I378 WeakPolarHBondContact O-CA 3.44Å; A374-I378 WeakPolarHBondContact O-CB 3.15Å; A374-I378 PolarHBondContact O-N 3.02Å; A374-I378 VanDerWaalsContact O-O 3.11Å; A374-K386 HydrophobicContact CB-CD 4.06Å; A374-K386 HydrophobicContact CB-CG 3.98Å; A374-A387 HydrophobicContact CB-CB 4.36Å; A374-V390 HydrophobicContact CB-CG2 4.36Å
375V83.5Confident88Confident51 Ų5146.5 Ų46.531%0.30922%0.219SC..Hα-helixtrans-63.3-39.1173.7172.70000111.8I340 V371 E372 N379 L383I340-V375 HydrophobicContact CG1-CG2 4.35Å; V371-V375 WeakPolarHBondContact O-CG2 3.27Å; V371-V375 PolarHBondContact O-N 2.71Å; E372-V375 PolarHBondContact O-N 2.78Å; V375-N379 PolarHBondContact O-OD1 3.28Å; V375-L383 HydrophobicContact CG2-CD1 3.61Å; V375-L383 HydrophobicContact CG2-CD2 4.09Å; V375-L383 HydrophobicContact CG2-CG 4.11Å
376K76.2Confident87.9Confident85 Ų8539 Ų3937%0.3719%0.186SC..Hα-helixtrans-74.6-33.9-177.1-171.9163.9-177.3155.50113.2E372 L373 A374 E473E372-K376 WeakPolarHBondContact O-CB 3.41Å; E372-K376 PolarHBondContact O-N 3.2Å; L373-K376 PolarHBondContact O-N 3.31Å; A374-K376 VanDerWaalsContact C-N 3.33Å; A374-K376 PolarHBondContact O-N 2.86Å; K376-E473 IonicContact NZ-OE1 3.18Å; K376-E473 PolarHBondContact NZ-OE1 3.3Å
377Y78.2Confident87.9Confident49 Ų4939 Ų3919%0.19219%0.186CC..Hα-helixtrans-120.7-18.8-165-66.1-56.3000115.6L373 V419 A423 I425 K428L373-Y377 HydrophobicContact CB-CD2 4.26Å; L373-Y377 HydrophobicContact CD2-CD2 4.02Å; L373-Y377 HydrophobicContact CD2-CE2 3.66Å; L373-Y377 VanDerWaalsContact O-CB 3.31Å; L373-Y377 WeakPolarHBondContact O-CB 3.26Å; L373-Y377 WeakPolarHBondContact O-CD2 3.27Å; L373-Y377 PolarHBondContact O-N 2.87Å; Y377-V419 HydrophobicContact CD2-CG1 3.98Å; Y377-V419 HydrophobicContact CG-CG1 4.27Å; Y377-A423 WeakPolarHBondContact O-CB 3.37Å; Y377-I425 HydrophobicContact CD1-CD1 3.07Å; Y377-I425 HydrophobicContact CD1-CG1 4.29Å; Y377-I425 HydrophobicContact CD2-CD1 4.05Å; Y377-I425 HydrophobicContact CE1-CD1 3.7Å; Y377-I425 HydrophobicContact CG-CD1 3.27Å; Y377-K428 WeakPolarHBondContact OH-CE 3.47Å; Y377-K428 PolarHBondContact OH-NZ 3.27Å
378I81.4Confident87.9Confident3 Ų340.2 Ų40.22%0.01519%0.193CC..  trans-115.883.5180-51.8171.5000107.3A374 D380 R381 K386 V390 I422A374-I378 HydrophobicContact CB-CD1 4.19Å; A374-I378 CarbonylContact O-C 3.58Å; A374-I378 WeakPolarHBondContact O-CA 3.44Å; A374-I378 WeakPolarHBondContact O-CB 3.15Å; A374-I378 PolarHBondContact O-N 3.02Å; A374-I378 VanDerWaalsContact O-O 3.11Å; I378-D380 WeakPolarHBondContact CG2-OD1 3.43Å; I378-R381 HydrophobicContact CG2-CB 4.22Å; I378-K386 HydrophobicContact CB-CD 4.15Å; I378-K386 HydrophobicContact CG2-CB 4.09Å; I378-K386 HydrophobicContact CG2-CD 4.24Å; I378-K386 VanDerWaalsContact O-CD 3.24Å; I378-K386 WeakPolarHBondContact O-CD 3.45Å; I378-K386 PolarHBondContact O-NZ 2.97Å; I378-V390 HydrophobicContact CD1-CG2 3.77Å; I378-I422 HydrophobicContact CD1-CB 4.31Å; I378-I422 HydrophobicContact CD1-CD1 4.28Å; I378-I422 HydrophobicContact CD1-CG2 3.71Å; I378-I422 HydrophobicContact CG1-CG2 4.1Å
379N74.1Confident87.8Confident76 Ų7637.7 Ų37.741%0.40619%0.187SC..  trans-92.2-14.3-171.3-63.1-47.6000113.7V375 R381V375-N379 PolarHBondContact O-OD1 3.28Å; N379-R381 VanDerWaalsContact C-N 3.31Å
380D73.5Confident87.9Confident111 Ų11137.2 Ų37.259%0.59418%0.183SC*.SBendtrans-82.2-8.9-179.662-45.3000113.3I378I378-D380 WeakPolarHBondContact CG2-OD1 3.43Å
381R85.4Confident88Confident66 Ų6637.3 Ų37.325%0.24918%0.184CC..SBendtrans-129.5161.9-178.6-64.5-172.9-77.4169.6-1111.6I378 N379 K386 D389I378-R381 HydrophobicContact CG2-CB 4.22Å; N379-R381 VanDerWaalsContact C-N 3.31Å; R381-K386 HydrophobicContact CB-CB 3.93Å; R381-K386 HydrophobicContact CB-CD 4.48Å; R381-K386 WeakPolarHBondContact O-CD 3.31Å; R381-K386 WeakPolarHBondContact O-CE 3.24Å; R381-K386 PolarHBondContact O-NZ 3.17Å; R381-D389 IonicContact CZ-OD2 3.6Å; R381-D389 IonicContact NH1-OD2 3.48Å; R381-D389 PolarHBondContact NH1-OD2 3.42Å
382H89.4Confident88.1Confident52 Ų5240 Ų4024%0.24120%0.198CC..  trans-111154-175.4-57.988.4000111.6E204 V207 E337 D385 K386E204-H382 WeakPolarHBondContact CB-ND1 3.43Å; V207-H382 HydrophobicContact CG1-CB 3.98Å; E337-H382 HydrophobicContact CG-CB 4.29Å; E337-H382 WeakPolarHBondContact OE1-CA 3.18Å; E337-H382 IonicContact OE2-CD2 3.81Å; H382-D385 PolarHBondContact O-N 3.32Å; H382-K386 PolarHBondContact O-N 3.48Å
383L92.8Very high88.3Confident4 Ų438.1 Ų38.12%0.02119%0.19CC..THydrogen-bonded Turntrans-69.8151.8170-61.1175000110.8V207 E337 P338 T343 V371 V375 K386 A387V207-L383 WeakPolarHBondContact CA-O 3.41Å; E337-L383 HydrophobicContact CG-CB 3.83Å; E337-L383 HydrophobicContact CG-CG 4.45Å; E337-L383 WeakPolarHBondContact OE1-CG 3.31Å; E337-L383 PolarHBondContact OE1-N 2.97Å; P338-L383 WeakPolarHBondContact CD-O 3.23Å; P338-L383 HydrophobicContact CG-CB 3.91Å; T343-L383 HydrophobicContact CG2-CB 4.39Å; T343-L383 HydrophobicContact CG2-CD2 4.14Å; V371-L383 HydrophobicContact CG1-CD1 4.23Å; V371-L383 HydrophobicContact CG1-CD2 4.26Å; V375-L383 HydrophobicContact CG2-CD1 3.61Å; V375-L383 HydrophobicContact CG2-CD2 4.09Å; V375-L383 HydrophobicContact CG2-CG 4.11Å; L383-K386 HydrophobicContact CD2-CD 4.18Å; L383-K386 VanDerWaalsContact CD2-CE 3.5Å; L383-K386 HydrophobicContact CD2-CG 3.72Å; L383-A387 HydrophobicContact CD2-CB 3.86Å
384P94.2Very high88.6Confident12 Ų1237.2 Ų37.28%0.07819%0.185CC..THydrogen-bonded Turncis-83.1-12.5-1.134.5-36.6000114.4G206 T343 I346 K386 A387 I388G206-P384 VanDerWaalsContact O-CD 3.29Å; G206-P384 WeakPolarHBondContact O-CD 3.4Å; T343-P384 HydrophobicContact CG2-CB 3.86Å; I346-P384 HydrophobicContact CD1-CB 4.34Å; I346-P384 HydrophobicContact CD1-CG 4.39Å; I346-P384 HydrophobicContact CG2-CB 4.18Å; I346-P384 HydrophobicContact CG2-CG 4.43Å; P384-K386 PolarHBondContact O-N 2.84Å; P384-A387 PolarHBondContact O-N 3.4Å; P384-I388 HydrophobicContact CB-CD1 4.05Å; P384-I388 HydrophobicContact CB-CG1 4.46Å; P384-I388 HydrophobicContact CG-CD1 4.17Å; P384-I388 WeakPolarHBondContact O-CG1 3.21Å; P384-I388 PolarHBondContact O-N 2.86Å
385D94.5Very high88.9Confident60 Ų6037.2 Ų37.232%0.32119%0.185SC..Hα-helixtrans-48-55.5-172.5-17975.7000114G206 H382 A387 I388 D389G206-D385 VanDerWaalsContact O-CB 3.31Å; G206-D385 WeakPolarHBondContact O-CB 3.47Å; G206-D385 PolarHBondContact O-N 2.81Å; H382-D385 PolarHBondContact O-N 3.32Å; D385-A387 PolarHBondContact O-N 2.91Å; D385-I388 WeakPolarHBondContact O-CB 3.49Å; D385-I388 PolarHBondContact O-N 2.95Å; D385-D389 PolarHBondContact O-N 3.03Å
386K93.3Very high89.2Confident9 Ų936.3 Ų36.34%0.03918%0.183CC..Hα-helixtrans-58.9-28.3179.964.3175.8168.4-161.60114.5E337 A374 I378 R381 H382 L383 P384 V390E337-K386 IonicContact OE1-NZ 2.78Å; A374-K386 HydrophobicContact CB-CD 4.06Å; A374-K386 HydrophobicContact CB-CG 3.98Å; I378-K386 HydrophobicContact CB-CD 4.15Å; I378-K386 HydrophobicContact CG2-CB 4.09Å; I378-K386 HydrophobicContact CG2-CD 4.24Å; I378-K386 VanDerWaalsContact O-CD 3.24Å; I378-K386 WeakPolarHBondContact O-CD 3.45Å; I378-K386 PolarHBondContact O-NZ 2.97Å; R381-K386 HydrophobicContact CB-CB 3.93Å; R381-K386 HydrophobicContact CB-CD 4.48Å; R381-K386 WeakPolarHBondContact O-CD 3.31Å; R381-K386 WeakPolarHBondContact O-CE 3.24Å; R381-K386 PolarHBondContact O-NZ 3.17Å; H382-K386 PolarHBondContact O-N 3.48Å; L383-K386 HydrophobicContact CD2-CD 4.18Å; L383-K386 VanDerWaalsContact CD2-CE 3.5Å; L383-K386 HydrophobicContact CD2-CG 3.72Å; P384-K386 PolarHBondContact O-N 2.84Å; K386-V390 VanDerWaalsContact O-CG2 3.25Å; K386-V390 WeakPolarHBondContact O-CG2 3.5Å; K386-V390 PolarHBondContact O-N 3.31Å
387A94.8Very high89.9Confident0 Ų036.3 Ų36.30%018%0.181CC..Hα-helixtrans-84.9-32.9178.900000111.5T343 I347 V371 A374 L383 P384 D385 V390 I391T343-A387 HydrophobicContact CG2-CB 4.14Å; I347-A387 HydrophobicContact CD1-CB 3.72Å; V371-A387 HydrophobicContact CG2-CB 4.07Å; A374-A387 HydrophobicContact CB-CB 4.36Å; L383-A387 HydrophobicContact CD2-CB 3.86Å; P384-A387 PolarHBondContact O-N 3.4Å; D385-A387 PolarHBondContact O-N 2.91Å; A387-V390 PolarHBondContact O-N 2.77Å; A387-I391 WeakPolarHBondContact O-CG1 2.8Å; A387-I391 PolarHBondContact O-N 3.33Å; A387-I391 VanDerWaalsContact O-N 3.15Å
388I94.6Very high90.4Very high28 Ų2834.3 Ų34.314%0.14418%0.175CC..Hα-helixtrans-61.4-47.1170.7-66.9169.4000109.6L350 Y354 P384 D385 V390 I391 D392L350-I388 HydrophobicContact CD1-CD1 3.83Å; L350-I388 HydrophobicContact CD1-CG1 4.28Å; Y354-I388 HydrophobicContact CE2-CG2 4.12Å; Y354-I388 WeakPolarHBondContact OH-CG2 3.49Å; P384-I388 HydrophobicContact CB-CD1 4.05Å; P384-I388 HydrophobicContact CB-CG1 4.46Å; P384-I388 HydrophobicContact CG-CD1 4.17Å; P384-I388 WeakPolarHBondContact O-CG1 3.21Å; P384-I388 PolarHBondContact O-N 2.86Å; D385-I388 WeakPolarHBondContact O-CB 3.49Å; D385-I388 PolarHBondContact O-N 2.95Å; I388-V390 VanDerWaalsContact C-N 3.32Å; I388-V390 PolarHBondContact O-N 3.09Å; I388-I391 WeakPolarHBondContact O-CB 3.32Å; I388-I391 PolarHBondContact O-N 3.07Å; I388-D392 WeakPolarHBondContact O-CB 3.25Å; I388-D392 PolarHBondContact O-N 2.92Å
389D94.2Very high90.6Very high56 Ų5640.2 Ų40.230%0.29920%0.197SC..Hα-helixtrans-56.5-43.3176.2-87.711.2000113R381 D385 I391 D392 E393R381-D389 IonicContact CZ-OD2 3.6Å; R381-D389 IonicContact NH1-OD2 3.48Å; R381-D389 PolarHBondContact NH1-OD2 3.42Å; D385-D389 PolarHBondContact O-N 3.03Å; D389-I391 VanDerWaalsContact C-N 3.31Å; D389-I391 PolarHBondContact O-N 3.08Å; D389-D392 PolarHBondContact O-N 3.38Å; D389-E393 WeakPolarHBondContact O-CB 3.25Å; D389-E393 PolarHBondContact O-N 3.48Å
390V94.6Very high91.1Very high0 Ų043.7 Ų43.70%021%0.214CC..Hα-helixtrans-62.3-40.2177169.80000111.2A370 A374 I378 K386 A387 I388 A394 I415 V418 V419 I422A370-V390 HydrophobicContact CB-CB 4.4Å; A370-V390 HydrophobicContact CB-CG1 3.77Å; A374-V390 HydrophobicContact CB-CG2 4.36Å; I378-V390 HydrophobicContact CD1-CG2 3.77Å; K386-V390 VanDerWaalsContact O-CG2 3.25Å; K386-V390 WeakPolarHBondContact O-CG2 3.5Å; K386-V390 PolarHBondContact O-N 3.31Å; A387-V390 PolarHBondContact O-N 2.77Å; I388-V390 VanDerWaalsContact C-N 3.32Å; I388-V390 PolarHBondContact O-N 3.09Å; V390-A394 VanDerWaalsContact O-CB 3.23Å; V390-A394 WeakPolarHBondContact O-CB 3.2Å; V390-A394 PolarHBondContact O-N 3.16Å; V390-I415 HydrophobicContact CG1-CD1 4.27Å; V390-I415 HydrophobicContact CG1-CG2 3.78Å; V390-V418 HydrophobicContact CG1-CG1 4.42Å; V390-V419 HydrophobicContact CB-CG2 4.46Å; V390-V419 HydrophobicContact CG1-CG2 3.65Å; V390-V419 HydrophobicContact CG2-CG2 3.85Å; V390-I422 HydrophobicContact CG2-CD1 3.74Å
391I95.6Very high91.6Very high3 Ų340.7 Ų40.72%0.01520%0.197CC..Hα-helixtrans-68.9-45.4178.3-69.7-70.5000111I347 Y362 V367 A370 A387 I388 D389 A394 G395 I415I347-I391 HydrophobicContact CD1-CG1 4.34Å; I347-I391 HydrophobicContact CG2-CD1 4.34Å; I347-I391 HydrophobicContact CG2-CG1 4.01Å; Y362-I391 HydrophobicContact CD1-CD1 4.14Å; Y362-I391 HydrophobicContact CD1-CG2 4.19Å; Y362-I391 HydrophobicContact CD2-CG2 4.47Å; Y362-I391 HydrophobicContact CE1-CD1 4.42Å; Y362-I391 HydrophobicContact CE1-CG2 3.74Å; Y362-I391 WeakPolarHBondContact CE1-O 3.48Å; Y362-I391 HydrophobicContact CE2-CG2 4.08Å; Y362-I391 PolarHBondContact OH-O 2.89Å; V367-I391 HydrophobicContact CG2-CD1 4.37Å; A370-I391 HydrophobicContact CB-CD1 3.69Å; A370-I391 HydrophobicContact CB-CG1 3.96Å; A387-I391 WeakPolarHBondContact O-CG1 2.8Å; A387-I391 PolarHBondContact O-N 3.33Å; A387-I391 VanDerWaalsContact O-N 3.15Å; I388-I391 WeakPolarHBondContact O-CB 3.32Å; I388-I391 PolarHBondContact O-N 3.07Å; D389-I391 VanDerWaalsContact C-N 3.31Å; D389-I391 PolarHBondContact O-N 3.08Å; I391-A394 PolarHBondContact O-N 3.11Å; I391-G395 PolarHBondContact O-N 3.35Å; I391-I415 HydrophobicContact CD1-CD1 4.2Å
392D95Very high91.5Very high56 Ų5641.4 Ų41.430%0.29921%0.211SC..Hα-helixtrans-62.7-48.5179.5-169.946.7000110.9Y354 H358 I388 D389 A394 G395 A396Y354-D392 HydrophobicContact CD1-CB 4.33Å; Y354-D392 HydrophobicContact CE1-CB 3.93Å; Y354-D392 WeakPolarHBondContact CE1-OD1 3.41Å; H358-D392 IonicContact CD2-OD1 3.25Å; H358-D392 IonicContact CE1-OD1 3.96Å; H358-D392 PolarHBondContact CE1-OD1 3.43Å; H358-D392 PolarHBondContact NE2-O 2.93Å; H358-D392 IonicContact NE2-OD1 3.82Å; H358-D392 PolarHBondContact NE2-OD1 3.06Å; I388-D392 WeakPolarHBondContact O-CB 3.25Å; I388-D392 PolarHBondContact O-N 2.92Å; D389-D392 PolarHBondContact O-N 3.38Å; D392-A394 VanDerWaalsContact C-N 3.35Å; D392-A394 PolarHBondContact O-N 3.23Å; D392-G395 WeakPolarHBondContact O-CA 3.32Å; D392-G395 PolarHBondContact O-N 3.07Å; D392-G395 VanDerWaalsContact O-N 3.09Å; D392-A396 WeakPolarHBondContact O-CB 3.45Å; D392-A396 PolarHBondContact O-N 2.94Å
393E93.8Very high91.1Very high56 Ų5644.4 Ų44.426%0.26223%0.233SC..Hα-helixtrans-67.7-33.5-179.8-170.2164.7-151.700112.8D389 R397 V418 R421 I422D389-E393 WeakPolarHBondContact O-CB 3.25Å; D389-E393 PolarHBondContact O-N 3.48Å; E393-R397 VanDerWaalsContact O-CB 3.25Å; E393-R397 WeakPolarHBondContact O-CB 3.46Å; E393-R397 PolarHBondContact O-N 2.84Å; E393-V418 HydrophobicContact CB-CG1 3.96Å; E393-V418 HydrophobicContact CG-CG1 4.01Å; E393-R421 IonicContact OE1-CZ 3.08Å; E393-R421 IonicContact OE1-NH1 3.79Å; E393-R421 PolarHBondContact OE1-NH1 3.31Å; E393-R421 IonicContact OE1-NH2 2.69Å; E393-R421 PolarHBondContact OE1-NH2 2.97Å; E393-R421 IonicContact OE2-NH2 3.45Å; E393-I422 WeakPolarHBondContact OE2-CD1 3.19Å; E393-I422 WeakPolarHBondContact OE2-CG1 3.12Å
394A93.7Very high90.5Very high4 Ų449.6 Ų49.63%0.03327%0.269CS..Hα-helixtrans-65.7-38.7170.900000112.6V390 I391 D392 A398 V410 I415 V418V390-A394 VanDerWaalsContact O-CB 3.23Å; V390-A394 WeakPolarHBondContact O-CB 3.2Å; V390-A394 PolarHBondContact O-N 3.16Å; I391-A394 PolarHBondContact O-N 3.11Å; D392-A394 VanDerWaalsContact C-N 3.35Å; D392-A394 PolarHBondContact O-N 3.23Å; A394-A398 WeakPolarHBondContact O-CB 3.14Å; A394-A398 PolarHBondContact O-N 3.45Å; A394-A398 VanDerWaalsContact O-N 3.11Å; A394-V410 HydrophobicContact CB-CG1 3.95Å; A394-I415 HydrophobicContact CB-CD1 3.73Å; A394-V418 HydrophobicContact CB-CG2 3.99Å
395G93.2Very high89.9Confident0 Ų056.1 Ų56.10%030%0.296CS..Hα-helixtrans-65.3-50.4174.200000112.2Y362 I391 D392 R397 A398 R399Y362-G395 WeakPolarHBondContact OH-CA 3.23Å; Y362-G395 PolarHBondContact OH-N 3.4Å; I391-G395 PolarHBondContact O-N 3.35Å; D392-G395 WeakPolarHBondContact O-CA 3.32Å; D392-G395 PolarHBondContact O-N 3.07Å; D392-G395 VanDerWaalsContact O-N 3.09Å; G395-R397 VanDerWaalsContact C-N 3.31Å; G395-R397 PolarHBondContact O-N 3.44Å; G395-A398 PolarHBondContact O-N 3.07Å; G395-A398 VanDerWaalsContact O-N 3.16Å; G395-R399 PolarHBondContact O-N 2.85Å
396A91.6Very high89.3Confident32 Ų3259.5 Ų59.526%0.26430%0.304SS..Hα-helixtrans-57-44.7177.400000111.4H358 D392 A398 R399 L400H358-A396 PolarHBondContact ND1-N 3.46Å; D392-A396 WeakPolarHBondContact O-CB 3.45Å; D392-A396 PolarHBondContact O-N 2.94Å; A396-A398 PolarHBondContact O-N 3.01Å; A396-R399 PolarHBondContact O-N 2.64Å; A396-L400 WeakPolarHBondContact O-CB 3.03Å; A396-L400 VanDerWaalsContact O-CG 3.31Å; A396-L400 WeakPolarHBondContact O-CG 3.44Å; A396-L400 PolarHBondContact O-N 3.15Å
397R89.5Confident88.6Confident85 Ų8563.5 Ų63.532%0.32132%0.322SS..Hα-helixtrans-61.5-44.4177-179.4178176.7-179.5-1.5112.5E393 G395 R399 L400 M401 S417E393-R397 VanDerWaalsContact O-CB 3.25Å; E393-R397 WeakPolarHBondContact O-CB 3.46Å; E393-R397 PolarHBondContact O-N 2.84Å; G395-R397 VanDerWaalsContact C-N 3.31Å; G395-R397 PolarHBondContact O-N 3.44Å; R397-R399 PolarHBondContact O-N 2.76Å; R397-L400 PolarHBondContact O-N 3.41Å; R397-M401 HydrophobicContact CG-CE 4.34Å; R397-M401 WeakPolarHBondContact O-CG 3.4Å; R397-M401 PolarHBondContact O-N 3.41Å; R397-S417 VanDerWaalsContact NH1-CB 3.32Å; R397-S417 PolarHBondContact NH1-OG 2.81Å; R397-S417 PolarHBondContact NH2-OG 2.77Å
398A88.3Confident88.3Confident8 Ų871.4 Ų71.47%0.06636%0.356CS..Hα-helixtrans-61.4-36.5178.600000111.6V360 A394 G395 A396 V410V360-A398 HydrophobicContact CG1-CB 3.84Å; A394-A398 WeakPolarHBondContact O-CB 3.14Å; A394-A398 PolarHBondContact O-N 3.45Å; A394-A398 VanDerWaalsContact O-N 3.11Å; G395-A398 PolarHBondContact O-N 3.07Å; G395-A398 VanDerWaalsContact O-N 3.16Å; A396-A398 PolarHBondContact O-N 3.01Å; A398-V410 HydrophobicContact CB-CG2 4.33Å
399R85.5Confident88.2Confident126 Ų12672.8 Ų72.848%0.47537%0.366SS..Hα-helixtrans-73.3-36177.3-166.2176.7-177.5-170.81.1113.6H357 G395 A396 R397 M401 R406H357-R399 PolarHBondContact O-NH1 2.71Å; G395-R399 PolarHBondContact O-N 2.85Å; A396-R399 PolarHBondContact O-N 2.64Å; R397-R399 PolarHBondContact O-N 2.76Å; R399-M401 VanDerWaalsContact C-N 3.28Å; R399-M401 PolarHBondContact O-N 2.92Å; R399-R406 PolarHBondContact O-NE 3.38Å; R399-R406 VanDerWaalsContact O-NE 3.08Å
400L85.9Confident88.1Confident149 Ų14970.2 Ų70.278%0.7835%0.352SS*.Hα-helixtrans-73-15.2178.8-74.1170.6000113.8A396 R397A396-L400 WeakPolarHBondContact O-CB 3.03Å; A396-L400 VanDerWaalsContact O-CG 3.31Å; A396-L400 WeakPolarHBondContact O-CG 3.44Å; A396-L400 PolarHBondContact O-N 3.15Å; R397-L400 PolarHBondContact O-N 3.41Å
401M84.7Confident88.1Confident48 Ų4873.9 Ų73.924%0.23637%0.372CS..SBendtrans-63.5151175.8-70-153.9-175.900111.9R397 R399 K405 R406R397-M401 HydrophobicContact CG-CE 4.34Å; R397-M401 WeakPolarHBondContact O-CG 3.4Å; R397-M401 PolarHBondContact O-N 3.41Å; R399-M401 VanDerWaalsContact C-N 3.28Å; R399-M401 PolarHBondContact O-N 2.92Å; M401-K405 HydrophobicContact CB-CB 4.39Å; M401-K405 HydrophobicContact SD-CB 4.34Å; M401-R406 HydrophobicContact CB-CG 4.33Å; M401-R406 WeakPolarHBondContact O-CG 3.46Å; M401-R406 PolarHBondContact O-NE 3.32Å
402P82.5Confident87.9Confident82 Ų8276 Ų7653%0.53239%0.385SS..  trans-52.1144.6171.5-25.133.4000110.9S404 K405 R406P402-S404 PolarHBondContact O-N 3.46Å; P402-K405 CarbonylContact O-C 3.49Å; P402-K405 WeakPolarHBondContact O-CA 3.25Å; P402-K405 PolarHBondContact O-N 3.3Å; P402-R406 PolarHBondContact O-N 3.34Å
403V80.4Confident87.6Confident115 Ų11576.2 Ų76.270%0.69740%0.395SS*.G310 helixtrans-49.7-37.8-173.3-178.90000112.7K405 R406V403-K405 VanDerWaalsContact C-N 3.29Å; V403-K405 PolarHBondContact O-N 3.36Å; V403-R406 PolarHBondContact O-N 3.06Å
404S79.8Confident87.4Confident113 Ų11374.7 Ų74.779%0.7939%0.388SS*.G310 helixtrans-67.8-21.7177.456.30000115P402P402-S404 PolarHBondContact O-N 3.46Å
405K81.8Confident87.3Confident149 Ų14974.5 Ų74.565%0.64839%0.386SS*.G310 helixtrans-112.20.5179.9-64.2-169.7180-1780113.5M401 P402 V403 K407M401-K405 HydrophobicContact CB-CB 4.39Å; M401-K405 HydrophobicContact SD-CB 4.34Å; P402-K405 CarbonylContact O-C 3.49Å; P402-K405 WeakPolarHBondContact O-CA 3.25Å; P402-K405 PolarHBondContact O-N 3.3Å; V403-K405 VanDerWaalsContact C-N 3.29Å; V403-K405 PolarHBondContact O-N 3.36Å; K405-K407 PolarHBondContact O-N 2.79Å; K405-K407 VanDerWaalsContact O-N 3.07Å
406R82Confident87Confident130 Ų13079.3 Ų79.349%0.49141%0.409SS..  trans-61.7114177.8-76.2-174.8-175.7170.4-1.7109.9R399 M401 P402 V403R399-R406 PolarHBondContact O-NE 3.38Å; R399-R406 VanDerWaalsContact O-NE 3.08Å; M401-R406 HydrophobicContact CB-CG 4.33Å; M401-R406 WeakPolarHBondContact O-CG 3.46Å; M401-R406 PolarHBondContact O-NE 3.32Å; P402-R406 PolarHBondContact O-N 3.34Å; V403-R406 PolarHBondContact O-N 3.06Å
407K79.4Confident86.8Confident93 Ų9379.8 Ų79.840%0.40441%0.41SS..  trans-79.3124.7172.5-69.2-178.1178.8-177.20108.3K405 T409 D414K405-K407 PolarHBondContact O-N 2.79Å; K405-K407 VanDerWaalsContact O-N 3.07Å; K407-T409 VanDerWaalsContact C-N 3.25Å; K407-D414 IonicContact NZ-OD1 2.64Å; K407-D414 PolarHBondContact NZ-OD1 3.46Å; K407-D414 IonicContact NZ-OD2 3.73Å; K407-D414 PolarHBondContact NZ-OD2 2.82Å
408K87.5Confident86.7Confident167 Ų16775.8 Ų75.873%0.72640%0.395SS*.SBendtrans-76.8-14.7170.1-64.3-165.4176.2-166.90113V360 R361V360-K408 CarbonylContact C-O 3.55Å; V360-K408 WeakPolarHBondContact CA-O 3.38Å; R361-K408 PolarHBondContact N-O 3.01Å
409T92.5Very high86.6Confident56 Ų5675.5 Ų75.534%0.34439%0.393SS..EExtended strand (participates in β ladder)trans-130.5128-176.9-51.40000110R361 T363 K407R361-T409 CarbonylContact O-C 3.57Å; R361-T409 VanDerWaalsContact O-CA 3.25Å; R361-T409 WeakPolarHBondContact O-CA 3.33Å; R361-T409 WeakPolarHBondContact O-CG2 3.42Å; T363-T409 HydrophobicContact CG2-CG2 3.59Å; K407-T409 VanDerWaalsContact C-N 3.25Å
410V93.3Very high86.4Confident2 Ų270.7 Ų70.71%0.01238%0.38CS..EExtended strand (participates in β ladder)trans-92.3120.7176.1-179.50000109.2V360 R361 Y362 T363 A366 A394 A398 D414 I415V360-V410 HydrophobicContact CB-CG2 4.26Å; V360-V410 HydrophobicContact CG2-CG2 4.13Å; R361-V410 PolarHBondContact O-N 2.94Å; Y362-V410 HydrophobicContact CD1-CB 3.7Å; Y362-V410 HydrophobicContact CD1-CG1 3.93Å; Y362-V410 HydrophobicContact CD1-CG2 4.01Å; Y362-V410 HydrophobicContact CE1-CB 4.06Å; Y362-V410 HydrophobicContact CE1-CG1 4.14Å; Y362-V410 HydrophobicContact CE1-CG2 3.89Å; T363-V410 PolarHBondContact N-O 2.89Å; T363-V410 PolarHBondContact OG1-O 3.48Å; A366-V410 WeakPolarHBondContact CB-O 3.06Å; A394-V410 HydrophobicContact CB-CG1 3.95Å; A398-V410 HydrophobicContact CB-CG2 4.33Å; V410-D414 HydrophobicContact CG1-CB 3.85Å; V410-I415 HydrophobicContact CG1-CD1 3.93Å; V410-I415 HydrophobicContact CG1-CG1 4.33Å
411N93.2Very high86.2Confident78 Ų7869.6 Ų69.642%0.41737%0.365SS..  trans-107.4175-179-69.5-19.8000111.4T363 A413 D414 I415T363-N411 VanDerWaalsContact CG2-OD1 3.3Å; T363-N411 WeakPolarHBondContact CG2-OD1 3.35Å; N411-A413 VanDerWaalsContact C-N 3.28Å; N411-A413 PolarHBondContact O-N 3.46Å; N411-D414 PolarHBondContact N-OD2 2.89Å; N411-D414 WeakPolarHBondContact O-CB 3.42Å; N411-D414 PolarHBondContact O-N 2.92Å; N411-I415 PolarHBondContact O-N 3.48Å
412V91.3Very high86Confident48 Ų4869.2 Ų69.229%0.29136%0.364SS..Hα-helixtrans-54.1-42.6179.1-1800000112.1K365 A369 D414 I415 E416K365-V412 HydrophobicContact CB-CG2 3.8Å; A369-V412 HydrophobicContact CB-CG1 3.88Å; A369-V412 HydrophobicContact CB-CG2 4.29Å; V412-D414 VanDerWaalsContact C-N 3.26Å; V412-D414 PolarHBondContact O-N 3.45Å; V412-I415 WeakPolarHBondContact O-CB 3.38Å; V412-I415 PolarHBondContact O-N 3.35Å; V412-I415 VanDerWaalsContact O-N 3.15Å; V412-E416 HydrophobicContact CG1-CG 4.29Å; V412-E416 WeakPolarHBondContact O-CG 3.44Å; V412-E416 PolarHBondContact O-N 3.27Å
413A88.7Confident85.4Confident60 Ų6066 Ų6650%0.49635%0.345SS..Hα-helixtrans-62.1-31.3179.100000113.5N411 S417N411-A413 VanDerWaalsContact C-N 3.28Å; N411-A413 PolarHBondContact O-N 3.46Å; A413-S417 WeakPolarHBondContact O-CB 3.24Å; A413-S417 PolarHBondContact O-N 3.43Å; A413-S417 VanDerWaalsContact O-N 3.13Å
414D90.2Very high84.8Confident23 Ų2367.8 Ų67.812%0.12334%0.339CS..Hα-helixtrans-71-41.3177.4-60.1-60.1000110.4K407 V410 N411 V412 S417 V418K407-D414 IonicContact NZ-OD1 2.64Å; K407-D414 PolarHBondContact NZ-OD1 3.46Å; K407-D414 IonicContact NZ-OD2 3.73Å; K407-D414 PolarHBondContact NZ-OD2 2.82Å; V410-D414 HydrophobicContact CG1-CB 3.85Å; N411-D414 PolarHBondContact N-OD2 2.89Å; N411-D414 WeakPolarHBondContact O-CB 3.42Å; N411-D414 PolarHBondContact O-N 2.92Å; V412-D414 VanDerWaalsContact C-N 3.26Å; V412-D414 PolarHBondContact O-N 3.45Å; D414-S417 PolarHBondContact O-N 2.86Å; D414-V418 WeakPolarHBondContact O-CG2 3.37Å; D414-V418 PolarHBondContact O-N 3.22Å
415I92Very high83.9Confident0 Ų063.9 Ų63.90%031%0.309CS..Hα-helixtrans-62.8-48.6174.2-60.1-59000110.9A366 A369 A370 L373 V390 I391 A394 V410 N411 V412 S417 V418 V419A366-I415 HydrophobicContact CB-CG1 3.87Å; A369-I415 HydrophobicContact CB-CG2 4.42Å; A370-I415 VanDerWaalsContact CA-CG2 3.49Å; A370-I415 HydrophobicContact CB-CD1 4.25Å; A370-I415 HydrophobicContact CB-CG2 3.85Å; L373-I415 HydrophobicContact CD1-CG2 4.04Å; V390-I415 HydrophobicContact CG1-CD1 4.27Å; V390-I415 HydrophobicContact CG1-CG2 3.78Å; I391-I415 HydrophobicContact CD1-CD1 4.2Å; A394-I415 HydrophobicContact CB-CD1 3.73Å; V410-I415 HydrophobicContact CG1-CD1 3.93Å; V410-I415 HydrophobicContact CG1-CG1 4.33Å; N411-I415 PolarHBondContact O-N 3.48Å; V412-I415 WeakPolarHBondContact O-CB 3.38Å; V412-I415 PolarHBondContact O-N 3.35Å; V412-I415 VanDerWaalsContact O-N 3.15Å; I415-S417 VanDerWaalsContact C-N 3.26Å; I415-S417 PolarHBondContact O-N 3.1Å; I415-V418 PolarHBondContact O-N 2.8Å; I415-V418 VanDerWaalsContact O-N 3.09Å; I415-V419 HydrophobicContact CG2-CG2 4.13Å; I415-V419 WeakPolarHBondContact O-CG2 3.38Å; I415-V419 PolarHBondContact O-N 3.04Å
416E87.6Confident82.3Confident101 Ų10159.3 Ų59.347%0.47229%0.294SS..Hα-helixtrans-55.2-43.4177.5-74.6175.5160.400111.6L373 V412 A420L373-E416 HydrophobicContact CD1-CB 4.44Å; L373-E416 HydrophobicContact CD1-CG 3.61Å; V412-E416 HydrophobicContact CG1-CG 4.29Å; V412-E416 WeakPolarHBondContact O-CG 3.44Å; V412-E416 PolarHBondContact O-N 3.27Å; E416-A420 WeakPolarHBondContact O-CB 3.27Å; E416-A420 PolarHBondContact O-N 2.79Å
417S85.8Confident80.7Confident42 Ų4259.1 Ų59.129%0.29430%0.299SS..Hα-helixtrans-68.6-34.2178.5-172.60000112.9R397 A413 D414 I415 R421R397-S417 VanDerWaalsContact NH1-CB 3.32Å; R397-S417 PolarHBondContact NH1-OG 2.81Å; R397-S417 PolarHBondContact NH2-OG 2.77Å; A413-S417 WeakPolarHBondContact O-CB 3.24Å; A413-S417 PolarHBondContact O-N 3.43Å; A413-S417 VanDerWaalsContact O-N 3.13Å; D414-S417 PolarHBondContact O-N 2.86Å; I415-S417 VanDerWaalsContact C-N 3.26Å; I415-S417 PolarHBondContact O-N 3.1Å; S417-R421 PolarHBondContact O-N 3.32Å
418V88.7Confident79Confident1 Ų161.8 Ų61.81%0.00631%0.311CS..Hα-helixtrans-70.4-49.7174.7168.80000110.7V390 E393 A394 D414 I415 A420 R421 I422V390-V418 HydrophobicContact CG1-CG1 4.42Å; E393-V418 HydrophobicContact CB-CG1 3.96Å; E393-V418 HydrophobicContact CG-CG1 4.01Å; A394-V418 HydrophobicContact CB-CG2 3.99Å; D414-V418 WeakPolarHBondContact O-CG2 3.37Å; D414-V418 PolarHBondContact O-N 3.22Å; I415-V418 PolarHBondContact O-N 2.8Å; I415-V418 VanDerWaalsContact O-N 3.09Å; V418-A420 VanDerWaalsContact C-N 3.3Å; V418-A420 PolarHBondContact O-N 2.87Å; V418-R421 WeakPolarHBondContact O-CB 3.42Å; V418-R421 PolarHBondContact O-N 3.25Å; V418-I422 HydrophobicContact CG1-CD1 3.78Å; V418-I422 HydrophobicContact CG1-CG1 4.34Å; V418-I422 WeakPolarHBondContact O-CG1 3.44Å; V418-I422 PolarHBondContact O-N 3.05Å
419V86.3Confident76.9Confident3 Ų357.8 Ų57.82%0.01830%0.304CS..Hα-helixtrans-59.8-42.4177.8176.50000110.9L373 Y377 V390 I415 R421 I422 A423L373-V419 HydrophobicContact CB-CB 4.35Å; L373-V419 HydrophobicContact CB-CG1 4.09Å; L373-V419 HydrophobicContact CB-CG2 3.92Å; Y377-V419 HydrophobicContact CD2-CG1 3.98Å; Y377-V419 HydrophobicContact CG-CG1 4.27Å; V390-V419 HydrophobicContact CB-CG2 4.46Å; V390-V419 HydrophobicContact CG1-CG2 3.65Å; V390-V419 HydrophobicContact CG2-CG2 3.85Å; I415-V419 HydrophobicContact CG2-CG2 4.13Å; I415-V419 WeakPolarHBondContact O-CG2 3.38Å; I415-V419 PolarHBondContact O-N 3.04Å; V419-R421 PolarHBondContact O-N 2.59Å; V419-I422 PolarHBondContact O-N 3.45Å; V419-A423 VanDerWaalsContact O-CB 3.28Å; V419-A423 WeakPolarHBondContact O-CB 3.31Å; V419-A423 PolarHBondContact O-N 3.37Å
420A79.9Confident74.8Confident24 Ų2457.2 Ų57.220%0.19830%0.3CS..Hα-helixtrans-57.9-38.8176.200000111.8E416 V418 R424 I425E416-A420 WeakPolarHBondContact O-CB 3.27Å; E416-A420 PolarHBondContact O-N 2.79Å; V418-A420 VanDerWaalsContact C-N 3.3Å; V418-A420 PolarHBondContact O-N 2.87Å; A420-R424 CarbonylContact O-C 3.38Å; A420-R424 VanDerWaalsContact O-CA 3.29Å; A420-R424 WeakPolarHBondContact O-CA 3.43Å; A420-R424 PolarHBondContact O-N 2.75Å; A420-I425 PolarHBondContact O-N 3.29Å
421R82.1Confident72.8Confident126 Ų12658.8 Ų58.848%0.47531%0.311SS..Hα-helixtrans-72.1-44.2176.7-174.9171.356.183.6-0112.7E393 S417 V418 V419 R424E393-R421 IonicContact OE1-CZ 3.08Å; E393-R421 IonicContact OE1-NH1 3.79Å; E393-R421 PolarHBondContact OE1-NH1 3.31Å; E393-R421 IonicContact OE1-NH2 2.69Å; E393-R421 PolarHBondContact OE1-NH2 2.97Å; E393-R421 IonicContact OE2-NH2 3.45Å; S417-R421 PolarHBondContact O-N 3.32Å; V418-R421 WeakPolarHBondContact O-CB 3.42Å; V418-R421 PolarHBondContact O-N 3.25Å; V419-R421 PolarHBondContact O-N 2.59Å; R421-R424 PolarHBondContact O-N 3Å
422I80.1Confident71Confident40 Ų4063.2 Ų63.221%0.20533%0.329CS..Hα-helixtrans-61-51.6177.8-65.3168.9000110I378 V390 E393 V418 V419 R424I378-I422 HydrophobicContact CD1-CB 4.31Å; I378-I422 HydrophobicContact CD1-CD1 4.28Å; I378-I422 HydrophobicContact CD1-CG2 3.71Å; I378-I422 HydrophobicContact CG1-CG2 4.1Å; V390-I422 HydrophobicContact CG2-CD1 3.74Å; E393-I422 WeakPolarHBondContact OE2-CD1 3.19Å; E393-I422 WeakPolarHBondContact OE2-CG1 3.12Å; V418-I422 HydrophobicContact CG1-CD1 3.78Å; V418-I422 HydrophobicContact CG1-CG1 4.34Å; V418-I422 WeakPolarHBondContact O-CG1 3.44Å; V418-I422 PolarHBondContact O-N 3.05Å; V419-I422 PolarHBondContact O-N 3.45Å; I422-R424 PolarHBondContact O-N 3.14Å
423A70.8Confident69.7Low16 Ų1664.6 Ų64.613%0.13234%0.341CS..THydrogen-bonded Turntrans-79.50-178.300000113.3Y377 V419 I425Y377-A423 WeakPolarHBondContact O-CB 3.37Å; V419-A423 VanDerWaalsContact O-CB 3.28Å; V419-A423 WeakPolarHBondContact O-CB 3.31Å; V419-A423 PolarHBondContact O-N 3.37Å; A423-I425 HydrophobicContact CB-CD1 3.46Å; A423-I425 VanDerWaalsContact CB-CD1 3.46Å; A423-I425 HydrophobicContact CB-CG1 3.68Å; A423-I425 PolarHBondContact O-N 3.02Å
424R67.4Low68.8Low152 Ų15263.1 Ų63.157%0.57433%0.325SS*.THydrogen-bonded Turntrans53.332.9-177-55.3178.7-179.3-179.2-0.3113.4A420 R421 I422 P426 K544 H547A420-R424 CarbonylContact O-C 3.38Å; A420-R424 VanDerWaalsContact O-CA 3.29Å; A420-R424 WeakPolarHBondContact O-CA 3.43Å; A420-R424 PolarHBondContact O-N 2.75Å; R421-R424 PolarHBondContact O-N 3Å; I422-R424 PolarHBondContact O-N 3.14Å; R424-P426 WeakPolarHBondContact O-CD 3.36Å; R424-K544 PolarHBondContact NH1-O 3.48Å; R424-H547 PolarHBondContact O-CD2 3.17Å; R424-H547 PolarHBondContact O-NE2 3.12Å
425I60.2Low68.1Low30 Ų3070.1 Ų70.115%0.15435%0.349CS..  trans-80.3120.1-179.8-62162.8000108.6Y377 A420 A423 E427Y377-I425 HydrophobicContact CD1-CD1 3.07Å; Y377-I425 HydrophobicContact CD1-CG1 4.29Å; Y377-I425 HydrophobicContact CD2-CD1 4.05Å; Y377-I425 HydrophobicContact CE1-CD1 3.7Å; Y377-I425 HydrophobicContact CG-CD1 3.27Å; A420-I425 PolarHBondContact O-N 3.29Å; A423-I425 HydrophobicContact CB-CD1 3.46Å; A423-I425 VanDerWaalsContact CB-CD1 3.46Å; A423-I425 HydrophobicContact CB-CG1 3.68Å; A423-I425 PolarHBondContact O-N 3.02Å; I425-E427 PolarHBondContact O-N 3.07Å
426P48.2Very low67.5Low53 Ų5374.4 Ų74.434%0.34437%0.372SS..  trans-58.1135.5165.8-17.329.7000109.1R424 K428 H547R424-P426 WeakPolarHBondContact O-CD 3.36Å; P426-K428 PolarHBondContact O-N 2.98Å; P426-K428 VanDerWaalsContact O-N 3.12Å; P426-H547 WeakPolarHBondContact CD-CE1 3.18Å; P426-H547 WeakPolarHBondContact CD-NE2 3.32Å
427E48.9Very low67.3Low126 Ų12670.8 Ų70.859%0.58936%0.357SS*.  trans-44120.7-177.8-61.4-17816800110.9I425 S429I425-E427 PolarHBondContact O-N 3.07Å; E427-S429 CarbonylContact C-O 3.51Å; E427-S429 CarbonylContact O-C 2.99Å; E427-S429 VanDerWaalsContact O-C 3.26Å; E427-S429 PolarHBondContact O-N 2.85Å; E427-S429 VanDerWaalsContact O-N 3.17Å
428K44.6Very low67.3Low150 Ų15069.5 Ų69.565%0.65235%0.347SS*.SBendtrans-54-36-178.1-80.3-176.4179.5171.30113.1Y377 P426 V430Y377-K428 WeakPolarHBondContact OH-CE 3.47Å; Y377-K428 PolarHBondContact OH-NZ 3.27Å; P426-K428 PolarHBondContact O-N 2.98Å; P426-K428 VanDerWaalsContact O-N 3.12Å; K428-V430 VanDerWaalsContact C-N 3.34Å; K428-V430 PolarHBondContact O-N 3.25Å
429S43.3Very low67.2Low83 Ų8376.5 Ų76.558%0.5838%0.378SS*.SBendtrans-66.1105.4165.450.30000105.5E427 S431E427-S429 CarbonylContact C-O 3.51Å; E427-S429 CarbonylContact O-C 2.99Å; E427-S429 VanDerWaalsContact O-C 3.26Å; E427-S429 PolarHBondContact O-N 2.85Å; E427-S429 VanDerWaalsContact O-N 3.17Å; S429-S431 WeakPolarHBondContact O-CA 3.23Å; S429-S431 PolarHBondContact O-N 3.13Å
430V48.2Very low67.3Low44 Ų4479.1 Ų79.127%0.26739%0.391SS..  trans-42100.1166.2-166.70000105.6K428 D434 R435 L438K428-V430 VanDerWaalsContact C-N 3.34Å; K428-V430 PolarHBondContact O-N 3.25Å; V430-D434 HydrophobicContact CG1-CB 3.65Å; V430-R435 HydrophobicContact CB-CG 3.71Å; V430-R435 HydrophobicContact CG1-CB 4.07Å; V430-R435 HydrophobicContact CG1-CG 3.27Å; V430-R435 VanDerWaalsContact CG1-N 3.29Å; V430-L438 HydrophobicContact CG1-CD1 4.09Å
431S51.7Low67.8Low35 Ų3578 Ų7825%0.24538%0.382CS..  trans-59.4155.8-174.753.30000105.9S429 S433 D434 R435S429-S431 WeakPolarHBondContact O-CA 3.23Å; S429-S431 PolarHBondContact O-N 3.13Å; S431-S433 WeakPolarHBondContact CB-OG 3.5Å; S431-S433 PolarHBondContact O-N 2.77Å; S431-S433 PolarHBondContact OG-OG 3.31Å; S431-D434 WeakPolarHBondContact O-CA 3.33Å; S431-D434 PolarHBondContact O-N 3.47Å; S431-D434 WeakPolarHBondContact OG-CB 3.39Å; S431-D434 PolarHBondContact OG-N 3.19Å; S431-R435 PolarHBondContact O-N 3.32Å
432Q55.5Low68.3Low170 Ų17072.4 Ų72.479%0.79436%0.364SS*.Hα-helixtrans-50.5-36.8177.2-80.3-177.2-19.100110.9R435 D436Q432-R435 PolarHBondContact O-N 3.4Å; Q432-D436 PolarHBondContact O-N 3.04Å; Q432-D436 VanDerWaalsContact O-N 3.11Å
433S63.5Low68.8Low78 Ų7875.2 Ų75.255%0.54538%0.379SS..Hα-helixtrans-61.6-39.2171.344.80000115.1S431 T437S431-S433 WeakPolarHBondContact CB-OG 3.5Å; S431-S433 PolarHBondContact O-N 2.77Å; S431-S433 PolarHBondContact OG-OG 3.31Å; S433-T437 WeakPolarHBondContact O-CB 3.35Å; S433-T437 PolarHBondContact O-N 3.15Å; S433-T437 PolarHBondContact O-OG1 3.16Å
434D69.2Low69.7Low29 Ų2979.7 Ų79.716%0.15539%0.392CS..Hα-helixtrans-75.6-32.4-179.9-159.133.9000111V430 S431 T437 L438V430-D434 HydrophobicContact CG1-CB 3.65Å; S431-D434 WeakPolarHBondContact O-CA 3.33Å; S431-D434 PolarHBondContact O-N 3.47Å; S431-D434 WeakPolarHBondContact OG-CB 3.39Å; S431-D434 PolarHBondContact OG-N 3.19Å; D434-T437 PolarHBondContact O-N 3.04Å; D434-L438 WeakPolarHBondContact O-CB 3.31Å; D434-L438 WeakPolarHBondContact O-CG 3.33Å; D434-L438 PolarHBondContact O-N 2.85Å
435R75.6Confident70.8Confident169 Ų16972.5 Ų72.564%0.63837%0.365SS*.Hα-helixtrans-65.3-44.3174.3-67-17493.91341.1110.3V430 S431 Q432 T437 L438 K439V430-R435 HydrophobicContact CB-CG 3.71Å; V430-R435 HydrophobicContact CG1-CB 4.07Å; V430-R435 HydrophobicContact CG1-CG 3.27Å; V430-R435 VanDerWaalsContact CG1-N 3.29Å; S431-R435 PolarHBondContact O-N 3.32Å; Q432-R435 PolarHBondContact O-N 3.4Å; R435-T437 VanDerWaalsContact C-N 3.3Å; R435-L438 PolarHBondContact O-N 3Å; R435-K439 WeakPolarHBondContact O-CB 3.4Å; R435-K439 PolarHBondContact O-N 2.93Å
436D80Confident72.3Confident90 Ų9073.5 Ų73.548%0.48137%0.369SS..Hα-helixtrans-65.6-36.8176.8-72.1-24000111.6Q432 N440Q432-D436 PolarHBondContact O-N 3.04Å; Q432-D436 VanDerWaalsContact O-N 3.11Å; D436-N440 WeakPolarHBondContact O-CB 3.35Å; D436-N440 PolarHBondContact O-N 3.24Å; D436-N440 VanDerWaalsContact O-N 3.14Å; D436-N440 PolarHBondContact O-ND2 2.92Å
437T83Confident74.2Confident26 Ų2677.8 Ų77.816%0.1639%0.386CS..Hα-helixtrans-64-48.9174.9-61.70000111.4S433 D434 R435 N440 L441 A500S433-T437 WeakPolarHBondContact O-CB 3.35Å; S433-T437 PolarHBondContact O-N 3.15Å; S433-T437 PolarHBondContact O-OG1 3.16Å; D434-T437 PolarHBondContact O-N 3.04Å; R435-T437 VanDerWaalsContact C-N 3.3Å; T437-N440 PolarHBondContact O-N 3.3Å; T437-L441 WeakPolarHBondContact O-CA 3.42Å; T437-L441 WeakPolarHBondContact O-CB 3.25Å; T437-L441 PolarHBondContact O-N 3.37Å; T437-A500 WeakPolarHBondContact CG2-O 3.46Å
438L85.4Confident75.9Confident15 Ų1575 Ų758%0.07937%0.374CS..Hα-helixtrans-67.6-37.3178.6-69.6173.8000112.8V430 D434 R435 L441 I463 K464 R467 L501V430-L438 HydrophobicContact CG1-CD1 4.09Å; D434-L438 WeakPolarHBondContact O-CB 3.31Å; D434-L438 WeakPolarHBondContact O-CG 3.33Å; D434-L438 PolarHBondContact O-N 2.85Å; R435-L438 PolarHBondContact O-N 3Å; L438-L441 HydrophobicContact CD2-CD2 4.41Å; L438-L441 WeakPolarHBondContact O-CB 3.5Å; L438-L441 PolarHBondContact O-N 3.09Å; L438-I463 HydrophobicContact CD2-CG2 4.12Å; L438-K464 WeakPolarHBondContact O-CE 3.4Å; L438-R467 HydrophobicContact CD1-CB 3.76Å; L438-R467 HydrophobicContact CD1-CG 4.08Å; L438-R467 HydrophobicContact CD2-CG 4.18Å; L438-L501 HydrophobicContact CD2-CD2 4.22Å
439K87.1Confident77.9Confident148 Ų14868.1 Ų68.164%0.64335%0.345SS*.Hα-helixtrans-59.4-47.8177-179179.2175.6-173.70110.8R435R435-K439 WeakPolarHBondContact O-CB 3.4Å; R435-K439 PolarHBondContact O-N 2.93Å
440N89Confident80Confident58 Ų5866 Ų6631%0.3133%0.325SS..THydrogen-bonded Turntrans-93.37.2-176.6-56-44.2000113.4D436 T437 G442 D443 R444D436-N440 WeakPolarHBondContact O-CB 3.35Å; D436-N440 PolarHBondContact O-N 3.24Å; D436-N440 VanDerWaalsContact O-N 3.14Å; D436-N440 PolarHBondContact O-ND2 2.92Å; T437-N440 PolarHBondContact O-N 3.3Å; N440-G442 PolarHBondContact O-N 3.04Å; N440-D443 PolarHBondContact O-N 3.29Å; N440-R444 WeakPolarHBondContact O-CB 3.3Å; N440-R444 WeakPolarHBondContact O-CG 3.35Å; N440-R444 PolarHBondContact O-N 2.83Å
441L90.9Very high81.9Confident0 Ų065.5 Ų65.50%033%0.329CS..Hα-helixtrans-59.9-46.8-174.3-178.162.5000111.9T437 L438 R444 L445 T460 I463 L497 A500 L501T437-L441 WeakPolarHBondContact O-CA 3.42Å; T437-L441 WeakPolarHBondContact O-CB 3.25Å; T437-L441 PolarHBondContact O-N 3.37Å; L438-L441 HydrophobicContact CD2-CD2 4.41Å; L438-L441 WeakPolarHBondContact O-CB 3.5Å; L438-L441 PolarHBondContact O-N 3.09Å; L441-R444 PolarHBondContact O-N 3.29Å; L441-L445 HydrophobicContact CD1-CD1 4.35Å; L441-L445 HydrophobicContact CD1-CG 4.43Å; L441-L445 HydrophobicContact CG-CD1 4.23Å; L441-L445 VanDerWaalsContact O-CG 3.31Å; L441-L445 WeakPolarHBondContact O-CG 3.42Å; L441-L445 PolarHBondContact O-N 3.28Å; L441-T460 HydrophobicContact CB-CG2 4.46Å; L441-T460 HydrophobicContact CD2-CG2 4.14Å; L441-T460 HydrophobicContact CG-CG2 4Å; L441-I463 HydrophobicContact CD2-CD1 4.37Å; L441-I463 HydrophobicContact CD2-CG2 4.13Å; L441-L497 HydrophobicContact CD1-CD1 4.15Å; L441-L497 HydrophobicContact CD2-CD1 4.14Å; L441-A500 HydrophobicContact CD1-CB 3.63Å; L441-L501 HydrophobicContact CD1-CD2 4.32Å; L441-L501 HydrophobicContact CD2-CD2 4.32Å
442G91.7Very high83.8Confident9 Ų964 Ų649%0.09332%0.319CS..Hα-helixtrans-61-47.2179.100000111.7N440 R444 L445 K446N440-G442 PolarHBondContact O-N 3.04Å; G442-R444 PolarHBondContact O-N 3.46Å; G442-L445 PolarHBondContact O-N 3.23Å; G442-K446 WeakPolarHBondContact O-CG 3.19Å; G442-K446 PolarHBondContact O-N 3.36Å
443D91.7Very high85.5Confident98 Ų9859.4 Ų59.452%0.52430%0.299SS..Hα-helixtrans-62.9-44.7179.4-57.8-31.9000111.4N440 L445 K446 M447N440-D443 PolarHBondContact O-N 3.29Å; D443-L445 VanDerWaalsContact C-N 3.31Å; D443-L445 PolarHBondContact O-N 3.23Å; D443-K446 PolarHBondContact O-N 2.88Å; D443-M447 WeakPolarHBondContact O-CG 3.43Å; D443-M447 PolarHBondContact O-N 3.48Å
444R88.7Confident86.7Confident110 Ų11063.7 Ų63.742%0.41531%0.308SS..Hα-helixtrans-59.2-41176.2-76.4179.6177.3176.71.8112.4N440 L441 G442N440-R444 WeakPolarHBondContact O-CB 3.3Å; N440-R444 WeakPolarHBondContact O-CG 3.35Å; N440-R444 PolarHBondContact O-N 2.83Å; L441-R444 PolarHBondContact O-N 3.29Å; G442-R444 PolarHBondContact O-N 3.46Å
445L91.5Very high87.7Confident1 Ų162.5 Ų62.51%0.00530%0.302CS..Hα-helixtrans-68.2-44.1176.9-69.7176000111.3L441 G442 D443 M447 L448 V449 I456 T460 Q496 L497L441-L445 HydrophobicContact CD1-CD1 4.35Å; L441-L445 HydrophobicContact CD1-CG 4.43Å; L441-L445 HydrophobicContact CG-CD1 4.23Å; L441-L445 VanDerWaalsContact O-CG 3.31Å; L441-L445 WeakPolarHBondContact O-CG 3.42Å; L441-L445 PolarHBondContact O-N 3.28Å; G442-L445 PolarHBondContact O-N 3.23Å; D443-L445 VanDerWaalsContact C-N 3.31Å; D443-L445 PolarHBondContact O-N 3.23Å; L445-M447 VanDerWaalsContact C-N 3.26Å; L445-M447 PolarHBondContact O-N 2.98Å; L445-L448 PolarHBondContact O-N 3.41Å; L445-L448 VanDerWaalsContact O-N 3.07Å; L445-V449 PolarHBondContact O-N 2.88Å; L445-I456 HydrophobicContact CB-CD1 4.29Å; L445-I456 HydrophobicContact CB-CG1 4.39Å; L445-I456 HydrophobicContact CB-CG2 3.66Å; L445-I456 HydrophobicContact CD1-CG2 4.01Å; L445-I456 HydrophobicContact CG-CG2 4.49Å; L445-T460 HydrophobicContact CD1-CG2 3.88Å; L445-Q496 HydrophobicContact CD2-CB 3.67Å; L445-L497 HydrophobicContact CD1-CD1 4.27Å; L445-L497 HydrophobicContact CD2-CB 4.45Å
446K91.1Very high88.5Confident52 Ų5254.4 Ų54.423%0.22627%0.272CS..Hα-helixtrans-63.7-27.6177.5-71.4-179.9-179.9-158.80113.3G442 D443 L448 D453 I456 E457G442-K446 WeakPolarHBondContact O-CG 3.19Å; G442-K446 PolarHBondContact O-N 3.36Å; D443-K446 PolarHBondContact O-N 2.88Å; K446-L448 PolarHBondContact O-N 3.4Å; K446-D453 WeakPolarHBondContact CE-OD2 3.47Å; K446-D453 IonicContact NZ-OD2 2.73Å; K446-D453 PolarHBondContact NZ-OD2 3.26Å; K446-I456 HydrophobicContact CG-CB 4.47Å; K446-I456 HydrophobicContact CG-CD1 3.84Å; K446-I456 HydrophobicContact CG-CG2 4.09Å; K446-E457 IonicContact NZ-OE1 3.33Å; K446-E457 PolarHBondContact NZ-OE1 3.47Å
447M87Confident89.1Confident142 Ų14254.3 Ų54.370%0.727%0.269SS*.THydrogen-bonded Turntrans-67.8-21.5173.7-73.5-178.182.900113.6D443 L445 F450D443-M447 WeakPolarHBondContact O-CG 3.43Å; D443-M447 PolarHBondContact O-N 3.48Å; L445-M447 VanDerWaalsContact C-N 3.26Å; L445-M447 PolarHBondContact O-N 2.98Å; M447-F450 VanDerWaalsContact O-CE1 3.28Å; M447-F450 WeakPolarHBondContact O-CE1 3.44Å; M447-F450 WeakPolarHBondContact O-CZ 3.45Å
448L84.8Confident89.4Confident67 Ų6754.1 Ų54.135%0.35127%0.27SS..THydrogen-bonded Turntrans-118.5-20.9-173.3-63.2176000113.7L445 K446 Q496 K653L445-L448 PolarHBondContact O-N 3.41Å; L445-L448 VanDerWaalsContact O-N 3.07Å; K446-L448 PolarHBondContact O-N 3.4Å; L448-Q496 HydrophobicContact CB-CG 4.07Å; L448-Q496 HydrophobicContact CD1-CG 4.12Å; L448-Q496 VanDerWaalsContact CD1-OE1 3.22Å; L448-K653 PolarHBondContact O-NZ 2.68Å
449V87.5Confident89.7Confident6 Ų653.5 Ų53.54%0.03627%0.266CS..SBendtrans-121.5113.2176.4-179.20000108.2L445 Q452 I456 E492 V493 Q496L445-V449 PolarHBondContact O-N 2.88Å; V449-Q452 HydrophobicContact CG1-CB 4.08Å; V449-Q452 HydrophobicContact CG1-CG 4.16Å; V449-I456 HydrophobicContact CB-CD1 4.02Å; V449-I456 HydrophobicContact CG1-CD1 4.2Å; V449-E492 HydrophobicContact CG2-CB 4.47Å; V449-E492 HydrophobicContact CG2-CG 3.94Å; V449-V493 HydrophobicContact CB-CG2 4.01Å; V449-V493 HydrophobicContact CG1-CG2 3.48Å; V449-V493 VanDerWaalsContact CG1-CG2 3.48Å; V449-V493 HydrophobicContact CG2-CB 4.48Å; V449-V493 HydrophobicContact CG2-CG2 3.73Å; V449-Q496 HydrophobicContact CG2-CG 4.44Å
450F87.2Confident89.9Confident38 Ų3846.8 Ų46.817%0.16724%0.238CC..  trans-98.7143.7-173-51.9-60000111.9M447 Q452 V646 Q649 V650 K653M447-F450 VanDerWaalsContact O-CE1 3.28Å; M447-F450 WeakPolarHBondContact O-CE1 3.44Å; M447-F450 WeakPolarHBondContact O-CZ 3.45Å; F450-Q452 VanDerWaalsContact C-N 3.31Å; F450-Q452 PolarHBondContact O-N 3.3Å; F450-V646 HydrophobicContact CB-CG1 3.66Å; F450-V646 WeakPolarHBondContact O-CG1 3.37Å; F450-Q649 HydrophobicContact CB-CB 4.37Å; F450-Q649 HydrophobicContact CD1-CB 4.2Å; F450-Q649 HydrophobicContact CD2-CB 3.8Å; F450-Q649 HydrophobicContact CE1-CB 4.47Å; F450-Q649 HydrophobicContact CE2-CB 4.1Å; F450-Q649 WeakPolarHBondContact CE2-O 3.4Å; F450-Q649 HydrophobicContact CG-CB 3.86Å; F450-Q649 HydrophobicContact CZ-CB 4.43Å; F450-V650 HydrophobicContact CD2-CG2 3.94Å; F450-K653 HydrophobicContact CE2-CB 3.9Å; F450-K653 HydrophobicContact CE2-CD 4.07Å; F450-K653 HydrophobicContact CZ-CB 4.39Å
451G87.2Confident89.9Confident34 Ų3449.7 Ų49.735%0.35125%0.25SC..SBendtrans74.812.7173.400000115.7
452Q91.9Very high89.6Confident5 Ų550.5 Ų50.52%0.02326%0.256CS..  trans-123.733.3-177.2-57.9-61.5-21.900112.1V449 F450 K454 A455 I456 V488 F639 D640V449-Q452 HydrophobicContact CG1-CB 4.08Å; V449-Q452 HydrophobicContact CG1-CG 4.16Å; F450-Q452 VanDerWaalsContact C-N 3.31Å; F450-Q452 PolarHBondContact O-N 3.3Å; Q452-K454 PolarHBondContact O-N 2.99Å; Q452-A455 HydrophobicContact CB-CB 4.3Å; Q452-A455 WeakPolarHBondContact O-CB 3.27Å; Q452-A455 PolarHBondContact O-N 2.8Å; Q452-A455 VanDerWaalsContact O-N 3.08Å; Q452-I456 WeakPolarHBondContact O-CG1 3.36Å; Q452-I456 PolarHBondContact O-N 2.84Å; Q452-V488 PolarHBondContact NE2-O 3.23Å; Q452-F639 HydrophobicContact CB-CD1 4.25Å; Q452-F639 HydrophobicContact CB-CE1 4.22Å; Q452-F639 HydrophobicContact CG-CD1 3.72Å; Q452-F639 HydrophobicContact CG-CE1 4.07Å; Q452-D640 PolarHBondContact NE2-O 3.12Å
453D91.4Very high89.4Confident72 Ų7250.1 Ų50.139%0.38525%0.252SS..Hα-helixtrans-54.7-46.9-173.4-7945.4000113.6K446 A455 I456 E457K446-D453 WeakPolarHBondContact CE-OD2 3.47Å; K446-D453 IonicContact NZ-OD2 2.73Å; K446-D453 PolarHBondContact NZ-OD2 3.26Å; D453-A455 VanDerWaalsContact C-N 3.29Å; D453-A455 PolarHBondContact O-N 3.34Å; D453-I456 PolarHBondContact O-N 2.96Å; D453-E457 WeakPolarHBondContact O-CB 3.47Å; D453-E457 WeakPolarHBondContact O-CG 3.14Å; D453-E457 PolarHBondContact O-N 2.95Å
454K89.4Confident89.2Confident168 Ų16849.5 Ų49.573%0.7325%0.245SC*.Hα-helixtrans-60.9-40.1178.4-67.5-178.8-179.6174.30111.9Q452 A458Q452-K454 PolarHBondContact O-N 2.99Å; K454-A458 WeakPolarHBondContact O-CB 3.38Å; K454-A458 PolarHBondContact O-N 3.44Å; K454-A458 VanDerWaalsContact O-N 3.08Å
455A89.6Confident89Confident4 Ų449.3 Ų49.33%0.03325%0.25CC..Hα-helixtrans-67.5-43178.800000111.6Q452 D453 L459 I637 F639Q452-A455 HydrophobicContact CB-CB 4.3Å; Q452-A455 WeakPolarHBondContact O-CB 3.27Å; Q452-A455 PolarHBondContact O-N 2.8Å; Q452-A455 VanDerWaalsContact O-N 3.08Å; D453-A455 VanDerWaalsContact C-N 3.29Å; D453-A455 PolarHBondContact O-N 3.34Å; A455-L459 WeakPolarHBondContact O-CB 3.22Å; A455-L459 PolarHBondContact O-N 3.28Å; A455-L459 VanDerWaalsContact O-N 3.08Å; A455-I637 HydrophobicContact CB-CG2 3.27Å; A455-F639 HydrophobicContact CB-CD2 4.29Å; A455-F639 HydrophobicContact CB-CE1 4.29Å; A455-F639 HydrophobicContact CB-CE2 3.91Å; A455-F639 HydrophobicContact CB-CZ 3.91Å
456I93.5Very high88.4Confident0 Ų050.6 Ų50.60%026%0.26CS..Hα-helixtrans-66-42.6177.1-66.5166.2000110.8L445 K446 V449 Q452 D453 L459 T460 V493L445-I456 HydrophobicContact CB-CD1 4.29Å; L445-I456 HydrophobicContact CB-CG1 4.39Å; L445-I456 HydrophobicContact CB-CG2 3.66Å; L445-I456 HydrophobicContact CD1-CG2 4.01Å; L445-I456 HydrophobicContact CG-CG2 4.49Å; K446-I456 HydrophobicContact CG-CB 4.47Å; K446-I456 HydrophobicContact CG-CD1 3.84Å; K446-I456 HydrophobicContact CG-CG2 4.09Å; V449-I456 HydrophobicContact CB-CD1 4.02Å; V449-I456 HydrophobicContact CG1-CD1 4.2Å; Q452-I456 WeakPolarHBondContact O-CG1 3.36Å; Q452-I456 PolarHBondContact O-N 2.84Å; D453-I456 PolarHBondContact O-N 2.96Å; I456-L459 PolarHBondContact O-N 2.9Å; I456-T460 HydrophobicContact CG2-CG2 4.02Å; I456-T460 WeakPolarHBondContact O-CB 3.47Å; I456-T460 WeakPolarHBondContact O-CG2 3.28Å; I456-T460 PolarHBondContact O-N 3.23Å; I456-T460 PolarHBondContact O-OG1 3.48Å; I456-T460 VanDerWaalsContact O-OG1 3.13Å; I456-V493 HydrophobicContact CG1-CG2 4.45Å
457E92.5Very high87.8Confident88 Ų8851 Ų5141%0.41126%0.261SS..Hα-helixtrans-59-54.2177.1-78.8168.7-166.300111.1K446 D453 L459 T460 E461K446-E457 IonicContact NZ-OE1 3.33Å; K446-E457 PolarHBondContact NZ-OE1 3.47Å; D453-E457 WeakPolarHBondContact O-CB 3.47Å; D453-E457 WeakPolarHBondContact O-CG 3.14Å; D453-E457 PolarHBondContact O-N 2.95Å; E457-L459 VanDerWaalsContact C-N 3.29Å; E457-L459 PolarHBondContact O-N 3.17Å; E457-T460 PolarHBondContact O-N 2.96Å; E457-T460 VanDerWaalsContact O-N 3.12Å; E457-T460 PolarHBondContact O-OG1 3.48Å; E457-E461 WeakPolarHBondContact O-CG 3.13Å; E457-E461 PolarHBondContact O-N 3.23Å
458A89.3Confident87.4Confident22 Ų2247.5 Ų47.518%0.18225%0.254CS..Hα-helixtrans-56.5-41.9178.200000112.7K454 A462 I637K454-A458 WeakPolarHBondContact O-CB 3.38Å; K454-A458 PolarHBondContact O-N 3.44Å; K454-A458 VanDerWaalsContact O-N 3.08Å; A458-A462 PolarHBondContact O-N 3.01Å; A458-I637 HydrophobicContact CB-CD1 3.99Å; A458-I637 HydrophobicContact CB-CG1 4.45Å
459L91.1Very high86.9Confident1 Ų147.3 Ų47.31%0.00527%0.268CS..Hα-helixtrans-64.5-48175.817964.3000111.8A455 I456 E457 E461 A462 I463 F480 F482 V493 L497 I637A455-L459 WeakPolarHBondContact O-CB 3.22Å; A455-L459 PolarHBondContact O-N 3.28Å; A455-L459 VanDerWaalsContact O-N 3.08Å; I456-L459 PolarHBondContact O-N 2.9Å; E457-L459 VanDerWaalsContact C-N 3.29Å; E457-L459 PolarHBondContact O-N 3.17Å; L459-E461 PolarHBondContact O-N 3.19Å; L459-A462 PolarHBondContact O-N 3.06Å; L459-I463 HydrophobicContact CD1-CD1 4.01Å; L459-I463 HydrophobicContact CG-CD1 4.01Å; L459-I463 VanDerWaalsContact O-CG1 3.31Å; L459-I463 WeakPolarHBondContact O-CG1 3.35Å; L459-I463 PolarHBondContact O-N 2.67Å; L459-I463 VanDerWaalsContact O-N 3.08Å; L459-F480 HydrophobicContact CD1-CD2 3.81Å; L459-F480 HydrophobicContact CD1-CE1 4.39Å; L459-F480 HydrophobicContact CD1-CE2 3.68Å; L459-F480 HydrophobicContact CD1-CG 4.23Å; L459-F480 HydrophobicContact CD1-CZ 4Å; L459-F482 HydrophobicContact CD1-CZ 4.13Å; L459-F482 HydrophobicContact CD2-CZ 4.04Å; L459-V493 HydrophobicContact CD2-CG1 3.45Å; L459-V493 VanDerWaalsContact CD2-CG1 3.45Å; L459-L497 HydrophobicContact CD1-CD2 4.37Å; L459-L497 HydrophobicContact CD2-CD2 4.22Å; L459-I637 HydrophobicContact CB-CD1 4.23Å
460T91.7Very high86.4Confident7 Ų753.9 Ų53.94%0.04330%0.303CS..Hα-helixtrans-68.4-35.6-176.662.50000112.8L441 L445 I456 E457 I463 K464L441-T460 HydrophobicContact CB-CG2 4.46Å; L441-T460 HydrophobicContact CD2-CG2 4.14Å; L441-T460 HydrophobicContact CG-CG2 4Å; L445-T460 HydrophobicContact CD1-CG2 3.88Å; I456-T460 HydrophobicContact CG2-CG2 4.02Å; I456-T460 WeakPolarHBondContact O-CB 3.47Å; I456-T460 WeakPolarHBondContact O-CG2 3.28Å; I456-T460 PolarHBondContact O-N 3.23Å; I456-T460 PolarHBondContact O-OG1 3.48Å; I456-T460 VanDerWaalsContact O-OG1 3.13Å; E457-T460 PolarHBondContact O-N 2.96Å; E457-T460 VanDerWaalsContact O-N 3.12Å; E457-T460 PolarHBondContact O-OG1 3.48Å; T460-I463 PolarHBondContact O-N 3.42Å; T460-K464 WeakPolarHBondContact O-CB 3.29Å; T460-K464 VanDerWaalsContact O-CG 3.22Å; T460-K464 WeakPolarHBondContact O-CG 3.31Å; T460-K464 PolarHBondContact O-N 3.22Å
461E88.6Confident85.7Confident120 Ų12054.1 Ų54.156%0.56132%0.316SS*.Hα-helixtrans-62.3-47174.3-75.1-177.817200111.1E457 L459 I463 K464 M465E457-E461 WeakPolarHBondContact O-CG 3.13Å; E457-E461 PolarHBondContact O-N 3.23Å; L459-E461 PolarHBondContact O-N 3.19Å; E461-I463 VanDerWaalsContact C-N 3.34Å; E461-I463 PolarHBondContact O-N 3.11Å; E461-K464 PolarHBondContact O-N 2.87Å; E461-M465 WeakPolarHBondContact O-CG 3.47Å; E461-M465 PolarHBondContact O-N 2.94Å
462A85Confident85.2Confident17 Ų1758.7 Ų58.714%0.1433%0.328CS..Hα-helixtrans-60.8-43177.900000112.2A458 L459 K464 M465 A466 F480A458-A462 PolarHBondContact O-N 3.01Å; L459-A462 PolarHBondContact O-N 3.06Å; A462-K464 PolarHBondContact O-N 2.74Å; A462-M465 HydrophobicContact CB-CE 4.46Å; A462-M465 PolarHBondContact O-N 3.29Å; A462-A466 PolarHBondContact O-N 3.02Å; A462-F480 HydrophobicContact CB-CE1 3.48Å; A462-F480 VanDerWaalsContact CB-CE1 3.48Å; A462-F480 HydrophobicContact CB-CZ 3.41Å; A462-F480 VanDerWaalsContact CB-CZ 3.41Å
463I87.5Confident84.4Confident1 Ų164.6 Ų64.61%0.00536%0.355CS..Hα-helixtrans-65.2-41.4176.8-65.6173.2000111.5L438 L441 L459 T460 E461 A466 R467 L497L438-I463 HydrophobicContact CD2-CG2 4.12Å; L441-I463 HydrophobicContact CD2-CD1 4.37Å; L441-I463 HydrophobicContact CD2-CG2 4.13Å; L459-I463 HydrophobicContact CD1-CD1 4.01Å; L459-I463 HydrophobicContact CG-CD1 4.01Å; L459-I463 VanDerWaalsContact O-CG1 3.31Å; L459-I463 WeakPolarHBondContact O-CG1 3.35Å; L459-I463 PolarHBondContact O-N 2.67Å; L459-I463 VanDerWaalsContact O-N 3.08Å; T460-I463 PolarHBondContact O-N 3.42Å; E461-I463 VanDerWaalsContact C-N 3.34Å; E461-I463 PolarHBondContact O-N 3.11Å; I463-A466 PolarHBondContact O-N 3.46Å; I463-R467 HydrophobicContact CG2-CG 4.32Å; I463-R467 WeakPolarHBondContact O-CB 3.34Å; I463-R467 VanDerWaalsContact O-CG 3.28Å; I463-R467 WeakPolarHBondContact O-CG 3.23Å; I463-R467 PolarHBondContact O-N 2.88Å; I463-L497 HydrophobicContact CD1-CD1 3.35Å; I463-L497 HydrophobicContact CD1-CD2 3.61Å; I463-L497 HydrophobicContact CD1-CG 4.07Å
464K87.2Confident84Confident84 Ų8467 Ų6737%0.36536%0.364SS..Hα-helixtrans-62.7-42.6176.1-75.5168.4-178.8173.90111.6L438 T460 E461 A462 R467 A468L438-K464 WeakPolarHBondContact O-CE 3.4Å; T460-K464 WeakPolarHBondContact O-CB 3.29Å; T460-K464 VanDerWaalsContact O-CG 3.22Å; T460-K464 WeakPolarHBondContact O-CG 3.31Å; T460-K464 PolarHBondContact O-N 3.22Å; E461-K464 PolarHBondContact O-N 2.87Å; A462-K464 PolarHBondContact O-N 2.74Å; K464-R467 PolarHBondContact O-N 2.77Å; K464-A468 VanDerWaalsContact O-CB 3.27Å; K464-A468 WeakPolarHBondContact O-CB 3.43Å; K464-A468 PolarHBondContact O-N 3.25Å
465M83.6Confident84Confident107 Ų10761.7 Ų61.753%0.52734%0.341SS..Hα-helixtrans-61.3-47.8176.9-73.3-170-66.400111.7E461 A462 R467 A468 G469 L470E461-M465 WeakPolarHBondContact O-CG 3.47Å; E461-M465 PolarHBondContact O-N 2.94Å; A462-M465 HydrophobicContact CB-CE 4.46Å; A462-M465 PolarHBondContact O-N 3.29Å; M465-R467 PolarHBondContact O-N 2.92Å; M465-A468 PolarHBondContact O-N 3.06Å; M465-G469 PolarHBondContact O-N 2.97Å; M465-L470 PolarHBondContact O-N 3.25Å; M465-L470 VanDerWaalsContact O-N 3.09Å
466A79.5Confident84.1Confident27 Ų2762 Ų6222%0.22334%0.342CS..Hα-helixtrans-62-44.9178.100000111.9A462 I463 A468 G469 V477A462-A466 PolarHBondContact O-N 3.02Å; I463-A466 PolarHBondContact O-N 3.46Å; A466-A468 VanDerWaalsContact C-N 3.31Å; A466-A468 PolarHBondContact O-N 2.92Å; A466-G469 PolarHBondContact O-N 3.24Å; A466-V477 HydrophobicContact CB-CB 4.47Å; A466-V477 HydrophobicContact CB-CG1 3.62Å; A466-V477 WeakPolarHBondContact CB-O 3.43Å
467R77.9Confident83.9Confident62 Ų6263.1 Ų63.123%0.23435%0.349CS..Hα-helixtrans-69-26177.8-70.5-70.3-177.1168.21.5113.9L438 I463 K464 M465 G469L438-R467 HydrophobicContact CD1-CB 3.76Å; L438-R467 HydrophobicContact CD1-CG 4.08Å; L438-R467 HydrophobicContact CD2-CG 4.18Å; I463-R467 HydrophobicContact CG2-CG 4.32Å; I463-R467 WeakPolarHBondContact O-CB 3.34Å; I463-R467 VanDerWaalsContact O-CG 3.28Å; I463-R467 WeakPolarHBondContact O-CG 3.23Å; I463-R467 PolarHBondContact O-N 2.88Å; K464-R467 PolarHBondContact O-N 2.77Å; M465-R467 PolarHBondContact O-N 2.92Å; R467-G469 PolarHBondContact O-N 3.49Å
468A78.4Confident83.9Confident67 Ų6759 Ų5955%0.55433%0.33SS*.THydrogen-bonded Turntrans-74.5-2.4171.800000113.2K464 M465 A466 L470K464-A468 VanDerWaalsContact O-CB 3.27Å; K464-A468 WeakPolarHBondContact O-CB 3.43Å; K464-A468 PolarHBondContact O-N 3.25Å; M465-A468 PolarHBondContact O-N 3.06Å; A466-A468 VanDerWaalsContact C-N 3.31Å; A466-A468 PolarHBondContact O-N 2.92Å; A468-L470 HydrophobicContact CB-CD1 4.26Å; A468-L470 HydrophobicContact CB-CG 4.22Å; A468-L470 PolarHBondContact O-N 3.26Å
469G75.5Confident84.1Confident64 Ų6458 Ų5866%0.6632%0.322SS*.THydrogen-bonded Turntrans73.814.1-175.900000113.4M465 A466 R467 G471M465-G469 PolarHBondContact O-N 2.97Å; A466-G469 PolarHBondContact O-N 3.24Å; R467-G469 PolarHBondContact O-N 3.49Å; G469-G471 VanDerWaalsContact C-N 3.3Å
470L77.6Confident84.3Confident144 Ų14458 Ų5875%0.75432%0.322SS*.  trans-90.43.4175.7-61.6175.2000112.3M465 A468M465-L470 PolarHBondContact O-N 3.25Å; M465-L470 VanDerWaalsContact O-N 3.09Å; A468-L470 HydrophobicContact CB-CD1 4.26Å; A468-L470 HydrophobicContact CB-CG 4.22Å; A468-L470 PolarHBondContact O-N 3.26Å
471G72.2Confident84.6Confident43 Ų4357.7 Ų57.744%0.44332%0.32SS..SBendtrans-85.9-175.5172.500000113.2G469G469-G471 VanDerWaalsContact C-N 3.3Å
472H76.3Confident84.9Confident130 Ų13052 Ų5260%0.60229%0.293SS*.  trans-86.4122.7177-66.7-68.2000111.4H474 K475H472-H474 PolarHBondContact O-N 3.41Å; H472-H474 VanDerWaalsContact O-N 3.11Å; H472-K475 HydrophobicContact CB-CB 3.96Å; H472-K475 HydrophobicContact CB-CD 3.9Å; H472-K475 HydrophobicContact CB-CG 3.82Å; H472-K475 PolarHBondContact O-N 3.15Å
473E74.7Confident85.3Confident129 Ų12951.2 Ų51.260%0.60329%0.287SS*.THydrogen-bonded Turntrans-61.1-23.3-177.1-172.4172.7-169.800113.8K376 R586K376-E473 IonicContact NZ-OE1 3.18Å; K376-E473 PolarHBondContact NZ-OE1 3.3Å; E473-R586 VanDerWaalsContact O-CD 3.23Å; E473-R586 WeakPolarHBondContact O-CD 3.46Å
474H84Confident85.4Confident121 Ų12151.2 Ų51.256%0.5629%0.286SS*.THydrogen-bonded Turntrans-1049.5-177.1-59.5-58.4000114.5H472 N572 G573H472-H474 PolarHBondContact O-N 3.41Å; H472-H474 VanDerWaalsContact O-N 3.11Å; H474-N572 CarbonylContact O-C 3.55Å; H474-G573 WeakPolarHBondContact O-CA 3.37Å; H474-G573 PolarHBondContact O-N 2.99Å
475K89.2Confident85.5Confident58 Ų5847.3 Ų47.325%0.25227%0.27SS..SBendtrans-119.3163.9-178.9-64.4-168175.7-178.70111.1H472 M570 R586H472-K475 HydrophobicContact CB-CB 3.96Å; H472-K475 HydrophobicContact CB-CD 3.9Å; H472-K475 HydrophobicContact CB-CG 3.82Å; H472-K475 PolarHBondContact O-N 3.15Å; K475-M570 WeakPolarHBondContact CD-O 3.42Å; K475-M570 WeakPolarHBondContact CG-O 3.39Å; K475-R586 WeakPolarHBondContact O-CA 3.46Å
476P91.6Very high85.7Confident9 Ų943.3 Ų43.36%0.05825%0.252CS..  trans-53.9161.1167.5-22.934.2000112G478 V569 F585 V588P476-G478 PolarHBondContact O-N 2.87Å; P476-G478 VanDerWaalsContact O-N 3.16Å; P476-V569 HydrophobicContact CG-CG1 4.16Å; P476-F585 WeakPolarHBondContact CA-O 3.14Å; P476-F585 HydrophobicContact CG-CB 4.38Å; P476-V588 WeakPolarHBondContact CB-O 3.47Å
477V89Confident85.9Confident25 Ų2543.1 Ų43.115%0.15225%0.252CS..SBendtrans-56-35178.7176.70000111A466 V588 V589A466-V477 HydrophobicContact CB-CB 4.47Å; A466-V477 HydrophobicContact CB-CG1 3.62Å; A466-V477 WeakPolarHBondContact CB-O 3.43Å; V477-V588 PolarHBondContact N-O 2.99Å; V477-V589 HydrophobicContact CB-CG2 3.9Å; V477-V589 HydrophobicContact CG1-CG2 3.86Å
478G91.1Very high86.5Confident0 Ų040.3 Ų40.30%024%0.242CC..EExtended strand (participates in β ladder)trans-176.6150.7169.400000110.4P476 L590 D634P476-G478 PolarHBondContact O-N 2.87Å; P476-G478 VanDerWaalsContact O-N 3.16Å; G478-L590 PolarHBondContact O-N 2.85Å; G478-D634 VanDerWaalsContact CA-OD2 3.29Å; G478-D634 WeakPolarHBondContact CA-OD2 3.29Å
479S94.8Very high87.1Confident2 Ų238 Ų381%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-122.1110.2-179.2-54.70000109.7L590 D634S479-L590 CarbonylContact C-O 3.57Å; S479-L590 WeakPolarHBondContact CA-O 3.46Å; S479-D634 PolarHBondContact N-OD2 3.12Å; S479-D634 PolarHBondContact O-N 3.04Å
480F95.7Very high87.9Confident1 Ų135.5 Ų35.50%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-120.8139.1-171.7-50.8-78.6000111.8L459 A462 F482 V589 L590 V591 M592 D634 N635 I637L459-F480 HydrophobicContact CD1-CD2 3.81Å; L459-F480 HydrophobicContact CD1-CE1 4.39Å; L459-F480 HydrophobicContact CD1-CE2 3.68Å; L459-F480 HydrophobicContact CD1-CG 4.23Å; L459-F480 HydrophobicContact CD1-CZ 4Å; A462-F480 HydrophobicContact CB-CE1 3.48Å; A462-F480 VanDerWaalsContact CB-CE1 3.48Å; A462-F480 HydrophobicContact CB-CZ 3.41Å; A462-F480 VanDerWaalsContact CB-CZ 3.41Å; F480-F482 HydrophobicContact CB-CD1 4.03Å; F480-F482 HydrophobicContact CB-CE1 3.59Å; F480-F482 HydrophobicContact CG-CE1 4.25Å; F480-V589 HydrophobicContact CD2-CG1 4.18Å; F480-V589 HydrophobicContact CE2-CG1 3.89Å; F480-L590 PolarHBondContact N-O 2.64Å; F480-V591 HydrophobicContact CD2-CG2 4.34Å; F480-M592 PolarHBondContact O-N 2.72Å; F480-D634 HydrophobicContact CE1-CB 4.3Å; F480-N635 WeakPolarHBondContact CA-O 3.41Å; F480-N635 HydrophobicContact CD1-CB 4.11Å; F480-N635 HydrophobicContact CE1-CB 4.47Å; F480-I637 HydrophobicContact CD1-CD1 4.13Å
481L96.3Very high88.6Confident0 Ų030.7 Ų30.70%017%0.172CC..EExtended strand (participates in β ladder)trans-107.7111.2167.1-178.966.9000109.3I555 M592 T594 I621 F625 L633 N635 I636 I637L481-I555 HydrophobicContact CD1-CG2 3.88Å; L481-M592 CarbonylContact C-O 3.59Å; L481-M592 WeakPolarHBondContact CA-O 3.35Å; L481-M592 HydrophobicContact CD1-CB 3.81Å; L481-T594 HydrophobicContact CD1-CG2 3.83Å; L481-T594 HydrophobicContact CD2-CG2 4.36Å; L481-T594 HydrophobicContact CG-CG2 4.09Å; L481-I621 HydrophobicContact CD2-CG2 4.27Å; L481-F625 HydrophobicContact CD1-CE1 4.14Å; L481-F625 HydrophobicContact CD1-CE2 4.47Å; L481-F625 HydrophobicContact CD1-CZ 3.91Å; L481-F625 HydrophobicContact CD2-CD1 4.35Å; L481-F625 HydrophobicContact CD2-CD2 3.9Å; L481-F625 HydrophobicContact CD2-CE1 4.25Å; L481-F625 HydrophobicContact CD2-CE2 3.82Å; L481-F625 HydrophobicContact CD2-CG 4.17Å; L481-F625 HydrophobicContact CD2-CZ 4.01Å; L481-L633 HydrophobicContact CB-CD1 3.65Å; L481-L633 HydrophobicContact CB-CD2 4.42Å; L481-L633 HydrophobicContact CD2-CD1 4.13Å; L481-N635 PolarHBondContact N-O 3.15Å; L481-N635 VanDerWaalsContact N-O 3.14Å; L481-I636 HydrophobicContact CB-CG1 4.33Å; L481-I636 HydrophobicContact CD2-CG1 4.4Å; L481-I636 HydrophobicContact CD2-CG2 4.33Å; L481-I636 CarbonylContact O-C 3.02Å; L481-I636 WeakPolarHBondContact O-CA 3.49Å; L481-I637 PolarHBondContact O-N 3.35Å
482F96.1Very high89.5Confident2 Ų231.5 Ų31.51%0.00916%0.164CC..EExtended strand (participates in β ladder)trans-88.6106.5175-67.20.9000109.2L459 F480 K490 V493 V591 M592 T593 T594 I637 F639L459-F482 HydrophobicContact CD1-CZ 4.13Å; L459-F482 HydrophobicContact CD2-CZ 4.04Å; F480-F482 HydrophobicContact CB-CD1 4.03Å; F480-F482 HydrophobicContact CB-CE1 3.59Å; F480-F482 HydrophobicContact CG-CE1 4.25Å; F482-K490 HydrophobicContact CB-CB 4.26Å; F482-K490 HydrophobicContact CB-CD 4.14Å; F482-K490 HydrophobicContact CB-CG 4.12Å; F482-K490 HydrophobicContact CD2-CB 4.3Å; F482-V493 HydrophobicContact CE2-CB 4.38Å; F482-V493 HydrophobicContact CE2-CG1 4.13Å; F482-V493 HydrophobicContact CZ-CG1 4.45Å; F482-V591 HydrophobicContact CD1-CG1 4.25Å; F482-V591 HydrophobicContact CD2-CG1 3.58Å; F482-V591 HydrophobicContact CE1-CG1 4.16Å; F482-V591 HydrophobicContact CE2-CG1 3.51Å; F482-V591 HydrophobicContact CG-CG1 3.96Å; F482-V591 HydrophobicContact CZ-CG1 3.81Å; F482-V591 HydrophobicContact CZ-CG2 4.32Å; F482-M592 PolarHBondContact N-O 3.47Å; F482-T593 HydrophobicContact CB-CG2 4.47Å; F482-T593 CarbonylContact O-C 3.43Å; F482-T593 WeakPolarHBondContact O-CA 3.48Å; F482-T594 PolarHBondContact O-N 3.23Å; F482-I637 CarbonylContact C-O 3.52Å; F482-I637 WeakPolarHBondContact CA-O 3.42Å; F482-I637 HydrophobicContact CD1-CB 3.93Å; F482-I637 HydrophobicContact CD1-CD1 4.28Å; F482-I637 HydrophobicContact CD1-CG1 4.33Å; F482-I637 HydrophobicContact CE1-CB 4.27Å; F482-I637 HydrophobicContact CE1-CD1 3.74Å; F482-I637 HydrophobicContact CE1-CG1 4.28Å; F482-F639 HydrophobicContact CB-CD2 4.15Å; F482-F639 HydrophobicContact CB-CE2 3.71Å; F482-F639 AromaticContact CD1-CE2 3.96Å; F482-F639 HydrophobicContact CD1-CE2 3.96Å; F482-F639 AromaticContact CD2-CE2 3.7Å; F482-F639 HydrophobicContact CD2-CE2 3.7Å; F482-F639 AromaticContact CD2-CZ 3.75Å; F482-F639 HydrophobicContact CD2-CZ 3.75Å; F482-F639 HydrophobicContact CE2-CE2 4.29Å; F482-F639 HydrophobicContact CE2-CZ 4.04Å; F482-F639 HydrophobicContact CG-CD2 4.42Å; F482-F639 AromaticContact CG-CE2 3.51Å; F482-F639 HydrophobicContact CG-CE2 3.51Å; F482-F639 HydrophobicContact CG-CZ 4.07Å
483A92.7Very high90.4Very high0 Ų025.3 Ų25.30%014%0.136CC..EExtended strand (participates in β ladder)trans-105.7148.6179.100000111T594 I621 I637 W638 F639A483-T594 HydrophobicContact CB-CG2 3.72Å; A483-I621 HydrophobicContact CB-CD1 3.65Å; A483-I637 PolarHBondContact N-O 2.86Å; A483-W638 HydrophobicContact CB-CE3 3.67Å; A483-W638 HydrophobicContact CB-CZ3 3.89Å; A483-W638 CarbonylContact O-C 3.51Å; A483-W638 WeakPolarHBondContact O-CA 3.47Å; A483-F639 PolarHBondContact O-N 3.48Å
484G90.4Very high91.4Very high0 Ų019.1 Ų19.10%011%0.107CC..SBendtrans145.2-174.7175.100000113K490 T594 N595 V598G484-K490 PolarHBondContact O-NZ 3.45Å; G484-T594 PolarHBondContact N-O 2.67Å; G484-N595 PolarHBondContact O-OD1 3.14Å; G484-V598 VanDerWaalsContact O-CG2 3.26Å; G484-V598 WeakPolarHBondContact O-CG2 3.39Å
485P88.1Confident91.9Very high3 Ų314.8 Ų14.82%0.0199%0.089CC..  trans-62.8168.8-178.2-18.230.7000112.7V488 K490 V598 F639 H641P485-V488 HydrophobicContact CB-CG1 3.84Å; P485-V488 HydrophobicContact CG-CG1 4.21Å; P485-V488 VanDerWaalsContact O-CG2 3.26Å; P485-V488 WeakPolarHBondContact O-CG2 3.46Å; P485-K490 WeakPolarHBondContact O-CE 3.44Å; P485-K490 PolarHBondContact O-NZ 3.05Å; P485-V598 HydrophobicContact CB-CG1 4.08Å; P485-V598 HydrophobicContact CB-CG2 4.42Å; P485-V598 HydrophobicContact CG-CG1 4.16Å; P485-V598 HydrophobicContact CG-CG2 4.39Å; P485-F639 WeakPolarHBondContact CD-O 3.22Å; P485-H641 WeakPolarHBondContact CG-CE1 3.32Å; P485-H641 WeakPolarHBondContact CG-ND1 3.27Å; P485-H641 WeakPolarHBondContact CG-NE2 3.2Å
486T87.8Confident92Very high23 Ų2313 Ų1314%0.1418%0.082CC..THydrogen-bonded Turntrans-82.1151.6175-1590000111.2V488 A687 M688 G689 R691T486-V488 VanDerWaalsContact C-N 3.28Å; T486-V488 PolarHBondContact O-N 2.91Å; T486-A687 WeakPolarHBondContact CG2-O 3.44Å; T486-M688 CarbonylContact O-C 3.6Å; T486-G689 WeakPolarHBondContact O-CA 3.47Å; T486-G689 PolarHBondContact O-N 3.44Å; T486-R691 PolarHBondContact OG1-NE 2.9Å; T486-R691 PolarHBondContact OG1-NH1 2.96Å; T486-R691 PolarHBondContact OG1-NH2 3.12Å
487G85.6Confident92.1Very high22 Ų2212.6 Ų12.623%0.2278%0.079CC..THydrogen-bonded Turntrans70.516.5176.800000116A690G487-A690 PolarHBondContact O-N 2.85Å; G487-A690 VanDerWaalsContact O-N 3.09Å
488V89.4Confident92.2Very high4 Ų411.8 Ų11.82%0.0247%0.074CC..SBendtrans-95.1-5.8179.1-59.30000114.3Q452 P485 T486 K490 F639 L642Q452-V488 PolarHBondContact NE2-O 3.23Å; P485-V488 HydrophobicContact CB-CG1 3.84Å; P485-V488 HydrophobicContact CG-CG1 4.21Å; P485-V488 VanDerWaalsContact O-CG2 3.26Å; P485-V488 WeakPolarHBondContact O-CG2 3.46Å; T486-V488 VanDerWaalsContact C-N 3.28Å; T486-V488 PolarHBondContact O-N 2.91Å; V488-K490 HydrophobicContact CG2-CG 4.15Å; V488-F639 HydrophobicContact CG2-CB 3.59Å; V488-F639 HydrophobicContact CG2-CD1 4.17Å; V488-F639 HydrophobicContact CG2-CG 4.26Å; V488-L642 HydrophobicContact CB-CD2 4.42Å; V488-L642 HydrophobicContact CB-CG 4.5Å; V488-L642 HydrophobicContact CG1-CG 4.49Å
489G90.6Very high92.1Very high19 Ų1918.2 Ų18.220%0.19610%0.102CC..SBendtrans1146.5173.900000116.9T491 E492 V493G489-T491 PolarHBondContact O-N 3.46Å; G489-E492 PolarHBondContact O-N 3.13Å; G489-E492 VanDerWaalsContact O-N 3.09Å; G489-V493 WeakPolarHBondContact O-CG2 3.28Å; G489-V493 PolarHBondContact O-N 2.9Å
490K93.2Very high91.8Very high10 Ų1019.1 Ų19.14%0.04311%0.11CC..Hα-helixtrans-50-56.4178.4-62.7-179.6-62.1-152.80113F482 G484 P485 V488 E492 T494 T593 T594 N595 F639F482-K490 HydrophobicContact CB-CB 4.26Å; F482-K490 HydrophobicContact CB-CD 4.14Å; F482-K490 HydrophobicContact CB-CG 4.12Å; F482-K490 HydrophobicContact CD2-CB 4.3Å; G484-K490 PolarHBondContact O-NZ 3.45Å; P485-K490 WeakPolarHBondContact O-CE 3.44Å; P485-K490 PolarHBondContact O-NZ 3.05Å; V488-K490 HydrophobicContact CG2-CG 4.15Å; K490-E492 VanDerWaalsContact C-N 3.34Å; K490-E492 PolarHBondContact O-N 3.27Å; K490-T494 PolarHBondContact O-N 2.87Å; K490-T494 PolarHBondContact O-OG1 3.35Å; K490-T494 VanDerWaalsContact O-OG1 3.1Å; K490-T593 HydrophobicContact CB-CG2 4.04Å; K490-T594 PolarHBondContact NZ-O 2.65Å; K490-N595 PolarHBondContact NZ-OD1 3.34Å; K490-F639 HydrophobicContact CD-CD2 4.43Å; K490-F639 HydrophobicContact CD-CG 4.43Å; K490-F639 HydrophobicContact CG-CB 4.16Å; K490-F639 HydrophobicContact CG-CD1 3.83Å; K490-F639 HydrophobicContact CG-CD2 3.81Å; K490-F639 HydrophobicContact CG-CE1 4.15Å; K490-F639 HydrophobicContact CG-CE2 4.14Å; K490-F639 HydrophobicContact CG-CG 3.66Å; K490-F639 HydrophobicContact CG-CZ 4.3Å
491T92.2Very high91.3Very high43 Ų4320.3 Ų20.326%0.26412%0.116SC..Hα-helixtrans-63.7-38.8176.8-46.30000111.9G489 T494 V495 L551G489-T491 PolarHBondContact O-N 3.46Å; T491-T494 WeakPolarHBondContact O-CB 3.45Å; T491-T494 PolarHBondContact O-N 3.01Å; T491-V495 HydrophobicContact CG2-CG2 4.47Å; T491-V495 VanDerWaalsContact O-CG2 3.29Å; T491-V495 WeakPolarHBondContact O-CG2 3.46Å; T491-V495 PolarHBondContact O-N 3Å; T491-L551 HydrophobicContact CG2-CD2 3.81Å
492E91.5Very high90.7Very high60 Ų6023.6 Ų23.628%0.2815%0.15SC..Hα-helixtrans-65.8-43.1-178-17665.5-172.200111.3V449 G489 K490 T494 V495 Q496 K653V449-E492 HydrophobicContact CG2-CB 4.47Å; V449-E492 HydrophobicContact CG2-CG 3.94Å; G489-E492 PolarHBondContact O-N 3.13Å; G489-E492 VanDerWaalsContact O-N 3.09Å; K490-E492 VanDerWaalsContact C-N 3.34Å; K490-E492 PolarHBondContact O-N 3.27Å; E492-T494 VanDerWaalsContact C-N 3.25Å; E492-T494 PolarHBondContact O-N 3.05Å; E492-V495 PolarHBondContact O-N 3.3Å; E492-Q496 HydrophobicContact CG-CG 4.28Å; E492-Q496 VanDerWaalsContact O-CG 3.29Å; E492-Q496 WeakPolarHBondContact O-CG 3.26Å; E492-Q496 PolarHBondContact O-N 3.22Å; E492-Q496 PolarHBondContact OE1-NE2 2.86Å; E492-K653 IonicContact OE1-NZ 3.77Å; E492-K653 PolarHBondContact OE1-NZ 3.27Å
493V94.8Very high90.3Very high0 Ų024.6 Ų24.60%016%0.155CC..Hα-helixtrans-55.3-44173.2171.70000110.8V449 I456 L459 F482 G489 Q496 L497 F639V449-V493 HydrophobicContact CB-CG2 4.01Å; V449-V493 HydrophobicContact CG1-CG2 3.48Å; V449-V493 VanDerWaalsContact CG1-CG2 3.48Å; V449-V493 HydrophobicContact CG2-CB 4.48Å; V449-V493 HydrophobicContact CG2-CG2 3.73Å; I456-V493 HydrophobicContact CG1-CG2 4.45Å; L459-V493 HydrophobicContact CD2-CG1 3.45Å; L459-V493 VanDerWaalsContact CD2-CG1 3.45Å; F482-V493 HydrophobicContact CE2-CB 4.38Å; F482-V493 HydrophobicContact CE2-CG1 4.13Å; F482-V493 HydrophobicContact CZ-CG1 4.45Å; G489-V493 WeakPolarHBondContact O-CG2 3.28Å; G489-V493 PolarHBondContact O-N 2.9Å; V493-Q496 PolarHBondContact O-N 3.41Å; V493-L497 VanDerWaalsContact O-CB 3.24Å; V493-L497 WeakPolarHBondContact O-CB 3.13Å; V493-L497 PolarHBondContact O-N 3.31Å; V493-F639 HydrophobicContact CB-CZ 4.44Å; V493-F639 HydrophobicContact CG2-CE1 3.8Å; V493-F639 HydrophobicContact CG2-CZ 4.05Å
494T95.1Very high90.2Very high0 Ų029.2 Ų29.20%018%0.177CC..Hα-helixtrans-65.7-42.1179.8-44.10000112.3K490 T491 E492 L497 S498 L505 V549 L551 V591K490-T494 PolarHBondContact O-N 2.87Å; K490-T494 PolarHBondContact O-OG1 3.35Å; K490-T494 VanDerWaalsContact O-OG1 3.1Å; T491-T494 WeakPolarHBondContact O-CB 3.45Å; T491-T494 PolarHBondContact O-N 3.01Å; E492-T494 VanDerWaalsContact C-N 3.25Å; E492-T494 PolarHBondContact O-N 3.05Å; T494-L497 PolarHBondContact O-N 3.44Å; T494-S498 PolarHBondContact O-N 3.18Å; T494-S498 VanDerWaalsContact O-N 3.07Å; T494-L505 HydrophobicContact CG2-CD1 3.82Å; T494-V549 HydrophobicContact CG2-CB 4.41Å; T494-V549 HydrophobicContact CG2-CG1 3.27Å; T494-L551 HydrophobicContact CG2-CB 4.01Å; T494-L551 HydrophobicContact CG2-CD1 4.12Å; T494-L551 HydrophobicContact CG2-CD2 4.32Å; T494-L551 HydrophobicContact CG2-CG 4.37Å; T494-V591 HydrophobicContact CG2-CB 4.09Å; T494-V591 HydrophobicContact CG2-CG1 4.33Å; T494-V591 HydrophobicContact CG2-CG2 4.06Å
495V94Very high90.4Very high30 Ų3031.3 Ų31.318%0.18219%0.188CC..Hα-helixtrans-63.8-43175.5172.40000111.2T491 E492 L497 S498 K499 L505T491-V495 HydrophobicContact CG2-CG2 4.47Å; T491-V495 VanDerWaalsContact O-CG2 3.29Å; T491-V495 WeakPolarHBondContact O-CG2 3.46Å; T491-V495 PolarHBondContact O-N 3Å; E492-V495 PolarHBondContact O-N 3.3Å; V495-L497 VanDerWaalsContact C-N 3.33Å; V495-S498 PolarHBondContact O-OG 3.22Å; V495-K499 HydrophobicContact CG1-CD 4.32Å; V495-K499 WeakPolarHBondContact O-CG 3.46Å; V495-K499 PolarHBondContact O-N 2.98Å; V495-L505 HydrophobicContact CB-CD2 4.32Å; V495-L505 HydrophobicContact CG2-CD2 3.53Å
496Q92.7Very high90.8Very high21 Ų2132 Ų3210%0.09819%0.191CC..Hα-helixtrans-72.8-31.1179.4-62.3-53.3-23.200111.6L445 L448 V449 E492 V493 A500L445-Q496 HydrophobicContact CD2-CB 3.67Å; L448-Q496 HydrophobicContact CB-CG 4.07Å; L448-Q496 HydrophobicContact CD1-CG 4.12Å; L448-Q496 VanDerWaalsContact CD1-OE1 3.22Å; V449-Q496 HydrophobicContact CG2-CG 4.44Å; E492-Q496 HydrophobicContact CG-CG 4.28Å; E492-Q496 VanDerWaalsContact O-CG 3.29Å; E492-Q496 WeakPolarHBondContact O-CG 3.26Å; E492-Q496 PolarHBondContact O-N 3.22Å; E492-Q496 PolarHBondContact OE1-NE2 2.86Å; V493-Q496 PolarHBondContact O-N 3.41Å; Q496-A500 WeakPolarHBondContact O-CB 3.42Å; Q496-A500 PolarHBondContact O-N 3.14Å
497L93.4Very high91.2Very high0 Ų037.5 Ų37.50%021%0.209CC..Hα-helixtrans-63-47.3173.1-179.869.9000111.6L441 L445 L459 I463 V493 T494 V495 K499 A500 L501 V549 V589L441-L497 HydrophobicContact CD1-CD1 4.15Å; L441-L497 HydrophobicContact CD2-CD1 4.14Å; L445-L497 HydrophobicContact CD1-CD1 4.27Å; L445-L497 HydrophobicContact CD2-CB 4.45Å; L459-L497 HydrophobicContact CD1-CD2 4.37Å; L459-L497 HydrophobicContact CD2-CD2 4.22Å; I463-L497 HydrophobicContact CD1-CD1 3.35Å; I463-L497 HydrophobicContact CD1-CD2 3.61Å; I463-L497 HydrophobicContact CD1-CG 4.07Å; V493-L497 VanDerWaalsContact O-CB 3.24Å; V493-L497 WeakPolarHBondContact O-CB 3.13Å; V493-L497 PolarHBondContact O-N 3.31Å; T494-L497 PolarHBondContact O-N 3.44Å; V495-L497 VanDerWaalsContact C-N 3.33Å; L497-K499 VanDerWaalsContact C-N 3.34Å; L497-K499 PolarHBondContact O-N 3.03Å; L497-A500 PolarHBondContact O-N 3.47Å; L497-L501 HydrophobicContact CD1-CD1 3.85Å; L497-L501 HydrophobicContact CD1-CG 4.16Å; L497-L501 HydrophobicContact CG-CD1 4.02Å; L497-L501 WeakPolarHBondContact O-CB 3.29Å; L497-L501 WeakPolarHBondContact O-CG 3.34Å; L497-L501 PolarHBondContact O-N 3.13Å; L497-V549 HydrophobicContact CD2-CG1 4.38Å; L497-V549 HydrophobicContact CD2-CG2 4.11Å; L497-V549 HydrophobicContact CG-CG2 4.29Å; L497-V589 HydrophobicContact CD2-CG1 4.11Å
498S91.6Very high91.7Very high8 Ų837.6 Ų37.66%0.05620%0.203CC..Hα-helixtrans-61.8-44179.473.10000111.3T494 V495 L501 G502 I503T494-S498 PolarHBondContact O-N 3.18Å; T494-S498 VanDerWaalsContact O-N 3.07Å; V495-S498 PolarHBondContact O-OG 3.22Å; S498-L501 PolarHBondContact O-N 2.78Å; S498-G502 PolarHBondContact O-N 2.9Å; S498-I503 CarbonylContact C-O 3.58Å; S498-I503 WeakPolarHBondContact CB-O 3.2Å; S498-I503 PolarHBondContact O-N 2.85Å
499K88.8Confident92Very high135 Ų13539.9 Ų39.959%0.58722%0.216SC*.Hα-helixtrans-61.5-45.1174.6-71.8174.9-179.41760112.7V495 L497 L501 G502V495-K499 HydrophobicContact CG1-CD 4.32Å; V495-K499 WeakPolarHBondContact O-CG 3.46Å; V495-K499 PolarHBondContact O-N 2.98Å; L497-K499 VanDerWaalsContact C-N 3.34Å; L497-K499 PolarHBondContact O-N 3.03Å; K499-L501 VanDerWaalsContact C-N 3.32Å; K499-L501 PolarHBondContact O-N 2.85Å; K499-G502 PolarHBondContact O-N 3.38Å
500A87.2Confident92.2Very high21 Ų2139 Ų3917%0.17421%0.206CC..Hα-helixtrans-66.3-35-178.500000112.6T437 L441 Q496 L497T437-A500 WeakPolarHBondContact CG2-O 3.46Å; L441-A500 HydrophobicContact CD1-CB 3.63Å; Q496-A500 WeakPolarHBondContact O-CB 3.42Å; Q496-A500 PolarHBondContact O-N 3.14Å; L497-A500 PolarHBondContact O-N 3.47Å
501L85.9Confident92.2Very high25 Ų2540.3 Ų40.313%0.13122%0.217CC..Hα-helixtrans-86.5-10.5176.8-66.1-179.8000113.5L438 L441 L497 S498 K499 I503L438-L501 HydrophobicContact CD2-CD2 4.22Å; L441-L501 HydrophobicContact CD1-CD2 4.32Å; L441-L501 HydrophobicContact CD2-CD2 4.32Å; L497-L501 HydrophobicContact CD1-CD1 3.85Å; L497-L501 HydrophobicContact CD1-CG 4.16Å; L497-L501 HydrophobicContact CG-CD1 4.02Å; L497-L501 WeakPolarHBondContact O-CB 3.29Å; L497-L501 WeakPolarHBondContact O-CG 3.34Å; L497-L501 PolarHBondContact O-N 3.13Å; S498-L501 PolarHBondContact O-N 2.78Å; K499-L501 VanDerWaalsContact C-N 3.32Å; K499-L501 PolarHBondContact O-N 2.85Å; L501-I503 VanDerWaalsContact C-N 3.34Å; L501-I503 HydrophobicContact CB-CD1 4.04Å; L501-I503 HydrophobicContact CB-CG1 3.95Å; L501-I503 HydrophobicContact CD1-CD1 3.88Å
502G83.9Confident92.1Very high70 Ų7044.5 Ų44.572%0.72223%0.233SC*.THydrogen-bonded Turntrans65.933.3-176.700000113.7S498 K499S498-G502 PolarHBondContact O-N 2.9Å; K499-G502 PolarHBondContact O-N 3.38Å
503I86.5Confident92.2Very high23 Ų2342 Ų4212%0.11822%0.222CC..  trans-117.7157.6179.663.1-177.5000111S498 L501 H547 V549S498-I503 CarbonylContact C-O 3.58Å; S498-I503 WeakPolarHBondContact CB-O 3.2Å; S498-I503 PolarHBondContact O-N 2.85Å; L501-I503 VanDerWaalsContact C-N 3.34Å; L501-I503 HydrophobicContact CB-CD1 4.04Å; L501-I503 HydrophobicContact CB-CG1 3.95Å; L501-I503 HydrophobicContact CD1-CD1 3.88Å; I503-H547 HydrophobicContact CG2-CB 4.09Å; I503-V549 HydrophobicContact CD1-CG2 3.61Å; I503-V549 HydrophobicContact CG1-CG2 3.9Å
504E90.8Very high92.1Very high96 Ų9647.3 Ų47.345%0.44925%0.247SC..EExtended strand (participates in β ladder)trans-66.9146.3-176.4-165.363.7-156.500111.4L506 H545 A548 V549E504-L506 HydrophobicContact CG-CD2 4.01Å; E504-H545 HydrophobicContact CB-CB 4.06Å; E504-H545 HydrophobicContact CG-CB 4.43Å; E504-A548 HydrophobicContact CB-CB 4.4Å; E504-A548 CarbonylContact O-C 3.54Å; E504-A548 VanDerWaalsContact O-CA 3.27Å; E504-A548 WeakPolarHBondContact O-CA 3.45Å; E504-A548 WeakPolarHBondContact O-CB 3.33Å; E504-V549 PolarHBondContact O-N 2.92Å
505L95Very high91.9Very high44 Ų4452.8 Ų52.823%0.2327%0.273CS..EExtended strand (participates in β ladder)trans-99109.9168.8179.769.4000109.4T494 V495 V549 L551T494-L505 HydrophobicContact CG2-CD1 3.82Å; V495-L505 HydrophobicContact CB-CD2 4.32Å; V495-L505 HydrophobicContact CG2-CD2 3.53Å; L505-V549 HydrophobicContact CD1-CB 4.16Å; L505-V549 HydrophobicContact CD1-CG1 4.3Å; L505-L551 HydrophobicContact CD1-CB 4.14Å
506L96.6Very high91.6Very high18 Ų1859.9 Ų59.99%0.09430%0.297CS..EExtended strand (participates in β ladder)trans-93.7113.7172.1-57.8-179.4000108.1E504 F508 A541 V542 A548 V549 L550 L551E504-L506 HydrophobicContact CG-CD2 4.01Å; L506-F508 HydrophobicContact CB-CE2 4.24Å; L506-A541 HydrophobicContact CD1-CB 3.97Å; L506-A541 HydrophobicContact CD2-CB 4.1Å; L506-V542 HydrophobicContact CD1-CG2 3.9Å; L506-A548 HydrophobicContact CD1-CB 3.81Å; L506-A548 HydrophobicContact CG-CB 3.88Å; L506-V549 PolarHBondContact N-O 3.03Å; L506-L550 HydrophobicContact CB-CD1 3.89Å; L506-L550 CarbonylContact O-C 3.53Å; L506-L550 WeakPolarHBondContact O-CA 3.34Å; L506-L551 PolarHBondContact O-N 3.01Å
507R96.8Very high91.1Very high139 Ų13963.8 Ų63.853%0.52532%0.315SS..EExtended strand (participates in β ladder)trans-114.3130.2-177.5-176.3-179.6-178.9-161.9-1.1111.1L551 D553R507-L551 WeakPolarHBondContact CA-O 3.33Å; R507-L551 HydrophobicContact CG-CB 4.46Å; R507-L551 HydrophobicContact CG-CD2 4.11Å; R507-L551 HydrophobicContact CG-CG 4.37Å; R507-D553 IonicContact CZ-OD2 2.66Å; R507-D553 IonicContact NE-OD2 2.97Å; R507-D553 IonicContact NH2-OD2 3.58Å; R507-D553 PolarHBondContact NH2-OD2 2.8Å
508F96.6Very high90.7Very high23 Ų2364.5 Ų64.510%0.10132%0.319CS..EExtended strand (participates in β ladder)trans-129125.8172.9-63.8-97.7000109.5L506 M510 Y513 L522 L537 L538 A541 L550 L551 L552 D553L506-F508 HydrophobicContact CB-CE2 4.24Å; F508-M510 HydrophobicContact CB-CE 3.4Å; F508-Y513 HydrophobicContact CB-CE2 4.31Å; F508-Y513 HydrophobicContact CD1-CE2 4.24Å; F508-L522 HydrophobicContact CD1-CD2 3.77Å; F508-L522 HydrophobicContact CE1-CD2 3.96Å; F508-L537 HydrophobicContact CE1-CB 4.07Å; F508-L538 HydrophobicContact CD2-CD1 4.39Å; F508-L538 HydrophobicContact CE2-CD1 3.83Å; F508-L538 HydrophobicContact CZ-CB 4.36Å; F508-L538 HydrophobicContact CZ-CD1 4.13Å; F508-A541 HydrophobicContact CZ-CB 4.32Å; F508-L550 HydrophobicContact CD2-CD1 3.6Å; F508-L550 HydrophobicContact CE2-CD1 3.69Å; F508-L551 PolarHBondContact N-O 2.9Å; F508-L552 HydrophobicContact CB-CD2 3.91Å; F508-L552 HydrophobicContact CD2-CD2 4.23Å; F508-L552 HydrophobicContact CG-CD2 4.38Å; F508-L552 WeakPolarHBondContact O-CA 2.99Å; F508-D553 PolarHBondContact O-N 3.48Å
509D95.1Very high90.5Very high52 Ų5264.4 Ų64.428%0.27832%0.318SS..EExtended strand (participates in β ladder)trans-85.5117.7173-172.5-24.5000109.1S511 E512 Y513D509-S511 PolarHBondContact O-N 3.38Å; D509-S511 WeakPolarHBondContact OD1-CB 3.37Å; D509-S511 PolarHBondContact OD1-N 3.47Å; D509-S511 PolarHBondContact OD1-OG 3.17Å; D509-E512 HydrophobicContact CB-CG 4.43Å; D509-E512 WeakPolarHBondContact O-CB 3.34Å; D509-E512 PolarHBondContact O-N 2.84Å; D509-Y513 VanDerWaalsContact O-CD2 3.23Å; D509-Y513 WeakPolarHBondContact O-CD2 3.14Å; D509-Y513 WeakPolarHBondContact O-CE2 3.27Å
510M95.5Very high90.4Very high1 Ų159.5 Ų59.51%0.00530%0.301CS..G310 helixtrans-71.7-12.5-176.7-63.9-64.899.900113.3F508 E512 Y513 L552 D553 I555 A558 V562F508-M510 HydrophobicContact CB-CE 3.4Å; M510-E512 PolarHBondContact O-N 2.9Å; M510-Y513 HydrophobicContact CE-CD2 3.56Å; M510-Y513 HydrophobicContact CE-CE2 3.94Å; M510-Y513 HydrophobicContact CE-CG 4.45Å; M510-Y513 CarbonylContact O-C 3.58Å; M510-Y513 PolarHBondContact O-N 3.4Å; M510-Y513 HydrophobicContact SD-CD2 4.36Å; M510-L552 HydrophobicContact CE-CB 4.37Å; M510-L552 HydrophobicContact CE-CD2 3.86Å; M510-L552 HydrophobicContact CG-CB 4.17Å; M510-L552 HydrophobicContact SD-CB 4.33Å; M510-L552 HydrophobicContact SD-CD2 4.49Å; M510-D553 WeakPolarHBondContact CB-O 3.12Å; M510-D553 VanDerWaalsContact CG-O 3.28Å; M510-D553 WeakPolarHBondContact CG-O 3.41Å; M510-D553 PolarHBondContact N-O 3.4Å; M510-I555 HydrophobicContact CG-CB 4.45Å; M510-I555 HydrophobicContact CG-CD1 3.73Å; M510-I555 HydrophobicContact SD-CD1 3.88Å; M510-A558 HydrophobicContact CB-CB 3.95Å; M510-A558 HydrophobicContact CG-CB 4.28Å; M510-A558 HydrophobicContact SD-CB 4.19Å; M510-V562 HydrophobicContact SD-CG1 3.96Å
511S91.6Very high90.3Very high37 Ų3765.6 Ų65.626%0.25932%0.319SS..G310 helixtrans-63.5-22.9167.7-53.90000112.5D509 Y513 M514 E554 K557D509-S511 PolarHBondContact O-N 3.38Å; D509-S511 WeakPolarHBondContact OD1-CB 3.37Å; D509-S511 PolarHBondContact OD1-N 3.47Å; D509-S511 PolarHBondContact OD1-OG 3.17Å; S511-Y513 VanDerWaalsContact C-N 3.29Å; S511-M514 WeakPolarHBondContact O-CG 3.34Å; S511-E554 PolarHBondContact OG-OE2 3.38Å; S511-K557 VanDerWaalsContact OG-CD 3.26Å; S511-K557 WeakPolarHBondContact OG-CD 3.5Å
512E90.4Very high90.3Very high131 Ų13164.6 Ų64.661%0.61231%0.314SS*.G310 helixtrans-80-13173.8-62.1-174.2-177.600112.9D509 M510 T518D509-E512 HydrophobicContact CB-CG 4.43Å; D509-E512 WeakPolarHBondContact O-CB 3.34Å; D509-E512 PolarHBondContact O-N 2.84Å; M510-E512 PolarHBondContact O-N 2.9Å; E512-T518 VanDerWaalsContact O-CB 3.31Å; E512-T518 WeakPolarHBondContact O-CB 3.42Å; E512-T518 PolarHBondContact O-OG1 2.99Å
513Y94.5Very high90.4Very high9 Ų962.8 Ų62.84%0.03529%0.288CS..G310 helixtrans-116.829.3-173.4-56-82.2000112.9F508 D509 M510 S511 E515 T518 L522 H559F508-Y513 HydrophobicContact CB-CE2 4.31Å; F508-Y513 HydrophobicContact CD1-CE2 4.24Å; D509-Y513 VanDerWaalsContact O-CD2 3.23Å; D509-Y513 WeakPolarHBondContact O-CD2 3.14Å; D509-Y513 WeakPolarHBondContact O-CE2 3.27Å; M510-Y513 HydrophobicContact CE-CD2 3.56Å; M510-Y513 HydrophobicContact CE-CE2 3.94Å; M510-Y513 HydrophobicContact CE-CG 4.45Å; M510-Y513 CarbonylContact O-C 3.58Å; M510-Y513 PolarHBondContact O-N 3.4Å; M510-Y513 HydrophobicContact SD-CD2 4.36Å; S511-Y513 VanDerWaalsContact C-N 3.29Å; Y513-E515 VanDerWaalsContact C-N 3.27Å; Y513-E515 PolarHBondContact O-N 2.8Å; Y513-T518 VanDerWaalsContact CA-OG1 3.31Å; Y513-T518 WeakPolarHBondContact CA-OG1 3.42Å; Y513-T518 WeakPolarHBondContact CD1-O 3.4Å; Y513-L522 HydrophobicContact CD1-CD1 3.76Å; Y513-L522 HydrophobicContact CD1-CD2 4.02Å; Y513-L522 HydrophobicContact CD1-CG 3.64Å; Y513-L522 HydrophobicContact CE1-CD1 4.07Å; Y513-L522 HydrophobicContact CE1-CD2 3.44Å; Y513-L522 VanDerWaalsContact CE1-CD2 3.44Å; Y513-L522 HydrophobicContact CE1-CG 3.45Å; Y513-L522 VanDerWaalsContact CE1-CG 3.45Å; Y513-L522 HydrophobicContact CE2-CD2 4.08Å; Y513-L522 HydrophobicContact CG-CD1 4.07Å; Y513-L522 HydrophobicContact CG-CG 4.36Å; Y513-L522 VanDerWaalsContact CZ-CD2 3.48Å; Y513-H559 WeakPolarHBondContact O-CB 3.46Å; Y513-H559 PolarHBondContact O-N 2.94Å
514M92.4Very high90.1Very high110 Ų11061.8 Ų61.854%0.54228%0.283SS..  trans-70.2-23.3178.7-63.5-179.965.700112.9S511 K557S511-M514 WeakPolarHBondContact O-CG 3.34Å; M514-K557 HydrophobicContact CG-CB 4.46Å; M514-K557 WeakPolarHBondContact CG-O 3.4Å
515E90.6Very high89.3Confident116 Ų11658 Ų5854%0.54227%0.268SS..SBendtrans-108.5143.8-176-64-167-152.900112.4Y513 H517 T518 V519Y513-E515 VanDerWaalsContact C-N 3.27Å; Y513-E515 PolarHBondContact O-N 2.8Å; E515-H517 PolarHBondContact O-N 3.03Å; E515-H517 VanDerWaalsContact O-N 3.09Å; E515-H517 IonicContact OE2-CE1 3.47Å; E515-H517 PolarHBondContact OE2-CE1 2.93Å; E515-H517 IonicContact OE2-ND1 3.98Å; E515-H517 PolarHBondContact OE2-ND1 3.19Å; E515-T518 HydrophobicContact CB-CG2 4.41Å; E515-T518 PolarHBondContact N-OG1 2.83Å; E515-T518 PolarHBondContact O-N 3.47Å; E515-T518 PolarHBondContact O-OG1 2.8Å; E515-V519 PolarHBondContact O-N 3.37Å
516R87.1Confident87.9Confident178 Ų17858.2 Ų58.267%0.67227%0.272SS*.Hα-helixtrans-53.5-37.6-179.2-167.2172.1-168.6-158.1-3.7114.1T518 V519 D561R516-T518 VanDerWaalsContact C-N 3.31Å; R516-T518 PolarHBondContact O-N 3.29Å; R516-V519 PolarHBondContact O-N 2.93Å; R516-D561 WeakPolarHBondContact CG-OD2 3.41Å; R516-D561 IonicContact NE-OD2 3.94Å; R516-D561 PolarHBondContact NE-OD2 3.46Å; R516-D561 VanDerWaalsContact NE-OD2 3.07Å
517H82.3Confident86.3Confident103 Ų10361.8 Ų61.848%0.47730%0.296SS..Hα-helixtrans-74.5-20.2-179.782.6-93.6000113.3E515 S520E515-H517 PolarHBondContact O-N 3.03Å; E515-H517 VanDerWaalsContact O-N 3.09Å; E515-H517 IonicContact OE2-CE1 3.47Å; E515-H517 PolarHBondContact OE2-CE1 2.93Å; E515-H517 IonicContact OE2-ND1 3.98Å; E515-H517 PolarHBondContact OE2-ND1 3.19Å; H517-S520 PolarHBondContact O-OG 2.82Å
518T86.2Confident84.6Confident15 Ų1559 Ų599%0.09231%0.31CS..Hα-helixtrans-80.6-32.3173.153.50000111.4E512 Y513 E515 R516 S520 R521E512-T518 VanDerWaalsContact O-CB 3.31Å; E512-T518 WeakPolarHBondContact O-CB 3.42Å; E512-T518 PolarHBondContact O-OG1 2.99Å; Y513-T518 VanDerWaalsContact CA-OG1 3.31Å; Y513-T518 WeakPolarHBondContact CA-OG1 3.42Å; Y513-T518 WeakPolarHBondContact CD1-O 3.4Å; E515-T518 HydrophobicContact CB-CG2 4.41Å; E515-T518 PolarHBondContact N-OG1 2.83Å; E515-T518 PolarHBondContact O-N 3.47Å; E515-T518 PolarHBondContact O-OG1 2.8Å; R516-T518 VanDerWaalsContact C-N 3.31Å; R516-T518 PolarHBondContact O-N 3.29Å; T518-S520 VanDerWaalsContact C-N 3.26Å; T518-S520 PolarHBondContact O-N 3.01Å; T518-R521 VanDerWaalsContact O-CB 3.26Å; T518-R521 WeakPolarHBondContact O-CB 3.27Å; T518-R521 PolarHBondContact O-N 2.86Å
519V87.5Confident82.9Confident6 Ų665.8 Ų65.84%0.03634%0.337CS..Hα-helixtrans-59.2-36.6174.7-177.20000112E515 R516 R521 L522 H559 D561 V562 I565E515-V519 PolarHBondContact O-N 3.37Å; R516-V519 PolarHBondContact O-N 2.93Å; V519-R521 PolarHBondContact O-N 2.92Å; V519-R521 VanDerWaalsContact O-N 3.17Å; V519-L522 WeakPolarHBondContact O-CB 3.37Å; V519-L522 PolarHBondContact O-N 3.44Å; V519-H559 HydrophobicContact CG2-CB 3.71Å; V519-D561 HydrophobicContact CG1-CB 4.11Å; V519-V562 HydrophobicContact CB-CG2 4.42Å; V519-V562 HydrophobicContact CG1-CG2 3.99Å; V519-V562 HydrophobicContact CG2-CG2 3.64Å; V519-I565 HydrophobicContact CG1-CD1 3.58Å
520S85.3Confident81Confident32 Ų3270.7 Ų70.722%0.22437%0.368CS..Hα-helixtrans-61.2-24.617664.20000112.4H517 T518 L522 I523 G524H517-S520 PolarHBondContact O-OG 2.82Å; T518-S520 VanDerWaalsContact C-N 3.26Å; T518-S520 PolarHBondContact O-N 3.01Å; S520-L522 PolarHBondContact O-N 3.44Å; S520-I523 PolarHBondContact O-N 3.22Å; S520-G524 CarbonylContact O-C 3Å; S520-G524 VanDerWaalsContact O-CA 3.27Å; S520-G524 WeakPolarHBondContact O-CA 3.26Å; S520-G524 PolarHBondContact O-N 3.09Å
521R85.9Confident79.1Confident150 Ų15071.9 Ų71.957%0.56638%0.38SS*.Hα-helixtrans-65.2-26.3173.6-58.8-177.8-179172.11.7112.8T518 V519 L537T518-R521 VanDerWaalsContact O-CB 3.26Å; T518-R521 WeakPolarHBondContact O-CB 3.27Å; T518-R521 PolarHBondContact O-N 2.86Å; V519-R521 PolarHBondContact O-N 2.92Å; V519-R521 VanDerWaalsContact O-N 3.17Å; R521-L537 HydrophobicContact CB-CD1 4.13Å; R521-L537 WeakPolarHBondContact O-CG 3.32Å; R521-L537 PolarHBondContact O-N 3.33Å
522L86.8Confident77.3Confident4 Ų471.7 Ų71.72%0.02138%0.375CS..Hα-helixtrans-69.5-36.2177.1-66.2171.5000112.1F508 Y513 V519 S520 G536 L537 L538 V562F508-L522 HydrophobicContact CD1-CD2 3.77Å; F508-L522 HydrophobicContact CE1-CD2 3.96Å; Y513-L522 HydrophobicContact CD1-CD1 3.76Å; Y513-L522 HydrophobicContact CD1-CD2 4.02Å; Y513-L522 HydrophobicContact CD1-CG 3.64Å; Y513-L522 HydrophobicContact CE1-CD1 4.07Å; Y513-L522 HydrophobicContact CE1-CD2 3.44Å; Y513-L522 VanDerWaalsContact CE1-CD2 3.44Å; Y513-L522 HydrophobicContact CE1-CG 3.45Å; Y513-L522 VanDerWaalsContact CE1-CG 3.45Å; Y513-L522 HydrophobicContact CE2-CD2 4.08Å; Y513-L522 HydrophobicContact CG-CD1 4.07Å; Y513-L522 HydrophobicContact CG-CG 4.36Å; Y513-L522 VanDerWaalsContact CZ-CD2 3.48Å; V519-L522 WeakPolarHBondContact O-CB 3.37Å; V519-L522 PolarHBondContact O-N 3.44Å; S520-L522 PolarHBondContact O-N 3.44Å; L522-G536 CarbonylContact O-C 3.59Å; L522-G536 VanDerWaalsContact O-C 3.24Å; L522-G536 WeakPolarHBondContact O-CA 3.48Å; L522-L537 PolarHBondContact O-N 2.64Å; L522-L538 HydrophobicContact CB-CB 4.16Å; L522-L538 HydrophobicContact CD2-CB 4.12Å; L522-L538 WeakPolarHBondContact O-CB 3.38Å; L522-L538 PolarHBondContact O-N 3.42Å; L522-V562 HydrophobicContact CD1-CG2 4.26Å
523I84.7Confident75.7Confident32 Ų3271.6 Ų71.616%0.16438%0.379CS..Hα-helixtrans-114.53.7-173.760.2168.4000114.2S520 G536 I565 L575 D577 N578S520-I523 PolarHBondContact O-N 3.22Å; I523-G536 VanDerWaalsContact C-CA 3.5Å; I523-I565 HydrophobicContact CD1-CD1 4.39Å; I523-I565 HydrophobicContact CG2-CD1 3.84Å; I523-I565 HydrophobicContact CG2-CG1 4.33Å; I523-I565 HydrophobicContact CG2-CG2 4.43Å; I523-L575 HydrophobicContact CG2-CD2 3.98Å; I523-L575 HydrophobicContact CG2-CG 4.46Å; I523-D577 WeakPolarHBondContact O-CA 3.41Å; I523-D577 VanDerWaalsContact O-CB 3.27Å; I523-D577 WeakPolarHBondContact O-CB 3.45Å; I523-N578 PolarHBondContact O-N 2.93Å
524G81.5Confident74.3Confident2 Ų278.1 Ų78.12%0.02141%0.41CS..  trans92.6150.5-174.400000112.4S520 N578S520-G524 CarbonylContact O-C 3Å; S520-G524 VanDerWaalsContact O-CA 3.27Å; S520-G524 WeakPolarHBondContact O-CA 3.26Å; S520-G524 PolarHBondContact O-N 3.09Å; G524-N578 PolarHBondContact O-ND2 3.01Å
525A73.6Confident73.1Confident16 Ų1673.5 Ų73.513%0.13239%0.39CS..PPolyproline II helixtrans-64.6150.717500000110.3F532 N578A525-F532 VanDerWaalsContact O-CD2 3.23Å; A525-F532 WeakPolarHBondContact O-CD2 3.23Å; A525-N578 WeakPolarHBondContact O-CB 3.31Å
526P66Low72.8Confident48 Ų4868 Ų6831%0.31237%0.365SS..PPolyproline II helixtrans-71.3160.4172.425.3-29.9000111.9G528 Y529 F532P526-G528 PolarHBondContact O-N 3.48Å; P526-Y529 HydrophobicContact CG-CD2 3.78Å; P526-Y529 HydrophobicContact CG-CE2 4.04Å; P526-Y529 PolarHBondContact O-N 3Å; P526-F532 WeakPolarHBondContact O-CD2 3.36Å
527P62.9Low72.9Confident93 Ų9363.9 Ų63.960%0.60436%0.355SS*.THydrogen-bonded Turntrans-53.7127.1179.5-2228.6000112.6F532P527-F532 HydrophobicContact CB-CD2 4.23Å; P527-F532 HydrophobicContact CB-CE2 3.78Å; P527-F532 HydrophobicContact CB-CZ 3.93Å; P527-F532 VanDerWaalsContact CD-CE2 3.5Å; P527-F532 HydrophobicContact CG-CD2 4.24Å; P527-F532 HydrophobicContact CG-CE2 3.43Å; P527-F532 VanDerWaalsContact CG-CE2 3.43Å; P527-F532 HydrophobicContact CG-CZ 3.72Å; P527-F532 VanDerWaalsContact N-CD2 3.31Å; P527-F532 VanDerWaalsContact N-CE2 3.3Å
528G59.9Low73.3Confident80 Ų8059.1 Ų59.183%0.82533%0.334SS*.THydrogen-bonded Turntrans102.9-2.417700000116.1P526P526-G528 PolarHBondContact O-N 3.48Å
529Y61.4Low73.5Confident166 Ų16658.4 Ų58.465%0.65133%0.329SS*.SBendtrans-101152.2173.9-72-99.5000111.7P526 G531 F532P526-Y529 HydrophobicContact CG-CD2 3.78Å; P526-Y529 HydrophobicContact CG-CE2 4.04Å; P526-Y529 PolarHBondContact O-N 3Å; Y529-G531 PolarHBondContact O-N 2.78Å; Y529-F532 WeakPolarHBondContact O-CB 3.26Å; Y529-F532 PolarHBondContact O-N 2.55Å; Y529-F532 VanDerWaalsContact O-N 3.12Å
530V55.6Low73.5Confident156 Ų15660.9 Ų60.995%0.94534%0.342SS*.THydrogen-bonded Turntrans-60.7127.1174.8-178.10000108.9
531G55.6Low73.7Confident25 Ų2560.3 Ų60.326%0.25834%0.339SS..THydrogen-bonded Turntrans91.88.7-175.300000114.9Y529 D533 Q534Y529-G531 PolarHBondContact O-N 2.78Å; G531-D533 PolarHBondContact O-N 3.46Å; G531-Q534 WeakPolarHBondContact O-CB 3.29Å; G531-Q534 PolarHBondContact O-N 2.94Å
532F52.6Low73.9Confident33 Ų3353.2 Ų53.215%0.14531%0.312CS..THydrogen-bonded Turntrans-50.7-38.2170.4178.7-111.9000112.6A525 P526 P527 Y529 Q534 N579A525-F532 VanDerWaalsContact O-CD2 3.23Å; A525-F532 WeakPolarHBondContact O-CD2 3.23Å; P526-F532 WeakPolarHBondContact O-CD2 3.36Å; P527-F532 HydrophobicContact CB-CD2 4.23Å; P527-F532 HydrophobicContact CB-CE2 3.78Å; P527-F532 HydrophobicContact CB-CZ 3.93Å; P527-F532 VanDerWaalsContact CD-CE2 3.5Å; P527-F532 HydrophobicContact CG-CD2 4.24Å; P527-F532 HydrophobicContact CG-CE2 3.43Å; P527-F532 VanDerWaalsContact CG-CE2 3.43Å; P527-F532 HydrophobicContact CG-CZ 3.72Å; P527-F532 VanDerWaalsContact N-CD2 3.31Å; P527-F532 VanDerWaalsContact N-CE2 3.3Å; Y529-F532 WeakPolarHBondContact O-CB 3.26Å; Y529-F532 PolarHBondContact O-N 2.55Å; Y529-F532 VanDerWaalsContact O-N 3.12Å; F532-Q534 PolarHBondContact O-N 3.45Å; F532-N579 VanDerWaalsContact CE2-OD1 3.23Å; F532-N579 WeakPolarHBondContact CE2-OD1 3.32Å; F532-N579 VanDerWaalsContact CZ-OD1 3.3Å; F532-N579 WeakPolarHBondContact CZ-OD1 3.41Å; F532-N579 PolarHBondContact O-ND2 3.25Å; F532-N579 PolarHBondContact O-OD1 3.14Å
533D57.5Low73.9Confident130 Ų13056 Ų5670%0.69533%0.327SS*.THydrogen-bonded Turntrans-74.4-8.5179.9-48.3-31.2000113.2G531G531-D533 PolarHBondContact O-N 3.46Å
534Q64.1Low73.8Confident146 Ų14661 Ų6168%0.68235%0.347SS*.SBendtrans-88.8125.7172.8-62.8-178.6-0.700109G531 F532G531-Q534 WeakPolarHBondContact O-CB 3.29Å; G531-Q534 PolarHBondContact O-N 2.94Å; F532-Q534 PolarHBondContact O-N 3.45Å
535G68.6Low74Confident13 Ų1363 Ų6313%0.13436%0.356CS..PPolyproline II helixtrans-61.7168.1175.600000112.3D540G535-D540 VanDerWaalsContact CA-OD2 3.3Å; G535-D540 WeakPolarHBondContact CA-OD2 3.38Å
536G84.2Confident74.5Confident0 Ų063.8 Ų63.80%036%0.36CS..PPolyproline II helixtrans-69.6135.917600000111.9L522 I523 L538 T539 D540L522-G536 CarbonylContact O-C 3.59Å; L522-G536 VanDerWaalsContact O-C 3.24Å; L522-G536 WeakPolarHBondContact O-CA 3.48Å; I523-G536 VanDerWaalsContact C-CA 3.5Å; G536-L538 PolarHBondContact O-N 2.77Å; G536-T539 VanDerWaalsContact CA-OG1 3.29Å; G536-T539 WeakPolarHBondContact CA-OG1 3.43Å; G536-T539 PolarHBondContact N-OG1 2.89Å; G536-T539 PolarHBondContact O-N 3.17Å; G536-T539 PolarHBondContact O-OG1 3.01Å; G536-D540 VanDerWaalsContact O-CB 3.25Å; G536-D540 WeakPolarHBondContact O-CB 3.18Å; G536-D540 PolarHBondContact O-N 2.62Å
537L88.6Confident75.5Confident91 Ų9162.4 Ų62.448%0.47635%0.349SS..Hα-helixtrans-55.1-38.9178.3-69.2173.5000112.1F508 R521 L522 A541F508-L537 HydrophobicContact CE1-CB 4.07Å; R521-L537 HydrophobicContact CB-CD1 4.13Å; R521-L537 WeakPolarHBondContact O-CG 3.32Å; R521-L537 PolarHBondContact O-N 3.33Å; L522-L537 PolarHBondContact O-N 2.64Å; L537-A541 WeakPolarHBondContact O-CB 3.37Å; L537-A541 PolarHBondContact O-N 2.96Å
538L91.8Very high76.9Confident4 Ų458 Ų582%0.02132%0.32CS..Hα-helixtrans-74.3-47.1178.9178.862.4000111.3F508 L522 G536 A541 V542 L550 L575 F585F508-L538 HydrophobicContact CD2-CD1 4.39Å; F508-L538 HydrophobicContact CE2-CD1 3.83Å; F508-L538 HydrophobicContact CZ-CB 4.36Å; F508-L538 HydrophobicContact CZ-CD1 4.13Å; L522-L538 HydrophobicContact CB-CB 4.16Å; L522-L538 HydrophobicContact CD2-CB 4.12Å; L522-L538 WeakPolarHBondContact O-CB 3.38Å; L522-L538 PolarHBondContact O-N 3.42Å; G536-L538 PolarHBondContact O-N 2.77Å; L538-A541 PolarHBondContact O-N 2.97Å; L538-V542 HydrophobicContact CD1-CG2 4.4Å; L538-V542 WeakPolarHBondContact O-CG2 3.41Å; L538-V542 PolarHBondContact O-N 3.17Å; L538-V542 VanDerWaalsContact O-N 3.1Å; L538-L550 HydrophobicContact CD1-CD1 3.81Å; L538-L550 HydrophobicContact CD1-CD2 3.72Å; L538-L550 HydrophobicContact CD1-CG 4.45Å; L538-L575 HydrophobicContact CD2-CD2 3.94Å; L538-F585 HydrophobicContact CD1-CE1 4.26Å; L538-F585 HydrophobicContact CD1-CZ 4.34Å; L538-F585 HydrophobicContact CD2-CZ 4.22Å; L538-F585 HydrophobicContact CG-CE1 4.38Å; L538-F585 HydrophobicContact CG-CZ 4Å
539T89.6Confident78.6Confident0 Ų054.1 Ų54.10%028%0.281CS..Hα-helixtrans-66-44.1-178.149.70000111.6G536 V542 I543 L575 D577 A583G536-T539 VanDerWaalsContact CA-OG1 3.29Å; G536-T539 WeakPolarHBondContact CA-OG1 3.43Å; G536-T539 PolarHBondContact N-OG1 2.89Å; G536-T539 PolarHBondContact O-N 3.17Å; G536-T539 PolarHBondContact O-OG1 3.01Å; T539-V542 PolarHBondContact O-N 3.19Å; T539-I543 WeakPolarHBondContact O-CB 3.4Å; T539-I543 WeakPolarHBondContact O-CD1 3.45Å; T539-I543 WeakPolarHBondContact O-CG1 3.35Å; T539-I543 PolarHBondContact O-N 3.24Å; T539-L575 HydrophobicContact CG2-CB 4.29Å; T539-L575 HydrophobicContact CG2-CD2 3.77Å; T539-L575 HydrophobicContact CG2-CG 3.97Å; T539-D577 HydrophobicContact CG2-CB 3.97Å; T539-A583 HydrophobicContact CG2-CB 4.02Å
540D87.5Confident80.3Confident58 Ų5846.2 Ų46.231%0.3125%0.25SS..Hα-helixtrans-66.1-39.7178.3-72.9-10.5000111.6G535 G536 V542 I543 K544G535-D540 VanDerWaalsContact CA-OD2 3.3Å; G535-D540 WeakPolarHBondContact CA-OD2 3.38Å; G536-D540 VanDerWaalsContact O-CB 3.25Å; G536-D540 WeakPolarHBondContact O-CB 3.18Å; G536-D540 PolarHBondContact O-N 2.62Å; D540-V542 VanDerWaalsContact C-N 3.34Å; D540-V542 PolarHBondContact O-N 3.15Å; D540-I543 PolarHBondContact O-N 3.29Å; D540-K544 VanDerWaalsContact O-CB 3.27Å; D540-K544 WeakPolarHBondContact O-CB 3.33Å; D540-K544 PolarHBondContact O-N 3.18Å
541A89.6Confident82.3Confident20 Ų2038.8 Ų38.817%0.16521%0.205CC..Hα-helixtrans-61.8-42.6176.300000111.9L506 F508 L537 L538 K544 H545L506-A541 HydrophobicContact CD1-CB 3.97Å; L506-A541 HydrophobicContact CD2-CB 4.1Å; F508-A541 HydrophobicContact CZ-CB 4.32Å; L537-A541 WeakPolarHBondContact O-CB 3.37Å; L537-A541 PolarHBondContact O-N 2.96Å; L538-A541 PolarHBondContact O-N 2.97Å; A541-K544 PolarHBondContact O-N 3.01Å; A541-H545 PolarHBondContact O-N 3.25Å
542V90.7Very high84.3Confident0 Ų037.9 Ų37.90%019%0.194CC..Hα-helixtrans-74.6-36.8178.8173.90000112L506 L538 T539 D540 K544 H545 P546 A583 D584 F585 V588L506-V542 HydrophobicContact CD1-CG2 3.9Å; L538-V542 HydrophobicContact CD1-CG2 4.4Å; L538-V542 WeakPolarHBondContact O-CG2 3.41Å; L538-V542 PolarHBondContact O-N 3.17Å; L538-V542 VanDerWaalsContact O-N 3.1Å; T539-V542 PolarHBondContact O-N 3.19Å; D540-V542 VanDerWaalsContact C-N 3.34Å; D540-V542 PolarHBondContact O-N 3.15Å; V542-K544 VanDerWaalsContact C-N 3.29Å; V542-K544 PolarHBondContact O-N 3.09Å; V542-H545 CarbonylContact O-C 3.56Å; V542-H545 PolarHBondContact O-N 3.05Å; V542-P546 VanDerWaalsContact O-CA 3.27Å; V542-P546 WeakPolarHBondContact O-CA 3.38Å; V542-A583 HydrophobicContact CB-CB 4.36Å; V542-A583 HydrophobicContact CG1-CB 4.31Å; V542-D584 WeakPolarHBondContact CG1-O 3.3Å; V542-F585 HydrophobicContact CB-CE1 4.46Å; V542-F585 HydrophobicContact CB-CE2 4.39Å; V542-F585 HydrophobicContact CB-CZ 4.17Å; V542-F585 HydrophobicContact CG1-CD1 4.39Å; V542-F585 HydrophobicContact CG1-CD2 4.15Å; V542-F585 HydrophobicContact CG1-CE1 4.4Å; V542-F585 HydrophobicContact CG1-CE2 4.09Å; V542-F585 HydrophobicContact CG1-CG 4.28Å; V542-F585 HydrophobicContact CG1-CZ 4.23Å; V542-F585 HydrophobicContact CG2-CD1 4.22Å; V542-F585 HydrophobicContact CG2-CE1 3.64Å; V542-F585 HydrophobicContact CG2-CE2 4.39Å; V542-F585 HydrophobicContact CG2-CZ 3.72Å; V542-V588 HydrophobicContact CG1-CG2 4.14Å
543I85.2Confident86.3Confident63 Ų6336.8 Ų36.832%0.32319%0.19SC..Hα-helixtrans-60.5-42.4172-71.4163.8000110.2T539 D540 R581 A583T539-I543 WeakPolarHBondContact O-CB 3.4Å; T539-I543 WeakPolarHBondContact O-CD1 3.45Å; T539-I543 WeakPolarHBondContact O-CG1 3.35Å; T539-I543 PolarHBondContact O-N 3.24Å; D540-I543 PolarHBondContact O-N 3.29Å; I543-R581 HydrophobicContact CD1-CB 4.48Å; I543-A583 HydrophobicContact CD1-CB 4.29Å; I543-A583 HydrophobicContact CG1-CB 3.93Å
544K83.6Confident88.1Confident136 Ų13631.7 Ų31.759%0.59116%0.162SC*.Hα-helixtrans-70-34.8177.5-170.2-177.7175.9-175.40112.5R424 D540 A541 V542R424-K544 PolarHBondContact NH1-O 3.48Å; D540-K544 VanDerWaalsContact O-CB 3.27Å; D540-K544 WeakPolarHBondContact O-CB 3.33Å; D540-K544 PolarHBondContact O-N 3.18Å; A541-K544 PolarHBondContact O-N 3.01Å; V542-K544 VanDerWaalsContact C-N 3.29Å; V542-K544 PolarHBondContact O-N 3.09Å
545H84.8Confident89.6Confident44 Ų4424.8 Ų24.820%0.20413%0.13CC..  trans-129.678.1-179.9-59.7-86.5000111.4E504 A541 V542 H547 A548E504-H545 HydrophobicContact CB-CB 4.06Å; E504-H545 HydrophobicContact CG-CB 4.43Å; A541-H545 PolarHBondContact O-N 3.25Å; V542-H545 CarbonylContact O-C 3.56Å; V542-H545 PolarHBondContact O-N 3.05Å; H545-H547 PolarHBondContact O-N 3.02Å; H545-A548 HydrophobicContact CB-CB 4.41Å
546P84.1Confident90.8Very high33 Ų3326.4 Ų26.421%0.21413%0.134CC..SBendtrans-63.1-25.8-177.7-24.134.3000113.5V542 N587V542-P546 VanDerWaalsContact O-CA 3.27Å; V542-P546 WeakPolarHBondContact O-CA 3.38Å; P546-N587 CarbonylContact O-C 3.6Å; P546-N587 VanDerWaalsContact O-CB 3.26Å; P546-N587 WeakPolarHBondContact O-CB 3.39Å
547H87.4Confident91.3Very high19 Ų1930.5 Ų30.59%0.08815%0.152CC..SBendtrans-105.7103.2172.8-64.1-85.9000108.8R424 P426 I503 H545 N587R424-H547 PolarHBondContact O-CD2 3.17Å; R424-H547 PolarHBondContact O-NE2 3.12Å; P426-H547 WeakPolarHBondContact CD-CE1 3.18Å; P426-H547 WeakPolarHBondContact CD-NE2 3.32Å; I503-H547 HydrophobicContact CG2-CB 4.09Å; H545-H547 PolarHBondContact O-N 3.02Å; H547-N587 VanDerWaalsContact CE1-CB 3.5Å; H547-N587 WeakPolarHBondContact CE1-CB 3.35Å; H547-N587 WeakPolarHBondContact ND1-CB 3.42Å
548A91.9Very high91.6Very high0 Ų026.6 Ų26.60%013%0.132CC..EExtended strand (participates in β ladder)trans-150.9159.6-177.100000111.9E504 L506 H545 V588 V589E504-A548 HydrophobicContact CB-CB 4.4Å; E504-A548 CarbonylContact O-C 3.54Å; E504-A548 VanDerWaalsContact O-CA 3.27Å; E504-A548 WeakPolarHBondContact O-CA 3.45Å; E504-A548 WeakPolarHBondContact O-CB 3.33Å; L506-A548 HydrophobicContact CD1-CB 3.81Å; L506-A548 HydrophobicContact CG-CB 3.88Å; H545-A548 HydrophobicContact CB-CB 4.41Å; A548-V588 WeakPolarHBondContact O-CA 3.34Å; A548-V589 PolarHBondContact O-N 2.74Å
549V95.4Very high91.7Very high0 Ų028.4 Ų28.40%014%0.141CC..EExtended strand (participates in β ladder)trans-94.6118.4158.7-172.10000107.2T494 L497 I503 E504 L505 L506 V589 V591T494-V549 HydrophobicContact CG2-CB 4.41Å; T494-V549 HydrophobicContact CG2-CG1 3.27Å; L497-V549 HydrophobicContact CD2-CG1 4.38Å; L497-V549 HydrophobicContact CD2-CG2 4.11Å; L497-V549 HydrophobicContact CG-CG2 4.29Å; I503-V549 HydrophobicContact CD1-CG2 3.61Å; I503-V549 HydrophobicContact CG1-CG2 3.9Å; E504-V549 PolarHBondContact O-N 2.92Å; L505-V549 HydrophobicContact CD1-CB 4.16Å; L505-V549 HydrophobicContact CD1-CG1 4.3Å; L506-V549 PolarHBondContact N-O 3.03Å; V549-V589 CarbonylContact C-O 3.52Å; V549-V589 WeakPolarHBondContact CA-O 3.37Å; V549-V589 HydrophobicContact CG1-CB 4.3Å; V549-V589 HydrophobicContact CG1-CG1 4.45Å; V549-V589 HydrophobicContact CG2-CB 4.34Å; V549-V591 HydrophobicContact CG1-CG2 4.16Å
550L97.6Very high91.8Very high0 Ų032.4 Ų32.40%017%0.167CC..EExtended strand (participates in β ladder)trans-97.9111177.7175.360000109.4L506 F508 L538 L552 F585 V588 V589 L590 V591L506-L550 HydrophobicContact CB-CD1 3.89Å; L506-L550 CarbonylContact O-C 3.53Å; L506-L550 WeakPolarHBondContact O-CA 3.34Å; F508-L550 HydrophobicContact CD2-CD1 3.6Å; F508-L550 HydrophobicContact CE2-CD1 3.69Å; L538-L550 HydrophobicContact CD1-CD1 3.81Å; L538-L550 HydrophobicContact CD1-CD2 3.72Å; L538-L550 HydrophobicContact CD1-CG 4.45Å; L550-L552 HydrophobicContact CD1-CD2 4.03Å; L550-L552 HydrophobicContact CG-CD2 4.2Å; L550-L552 HydrophobicContact CG-CG 4.46Å; L550-F585 HydrophobicContact CD2-CD1 4.26Å; L550-F585 HydrophobicContact CD2-CE1 3.75Å; L550-V588 HydrophobicContact CB-CG1 3.55Å; L550-V588 HydrophobicContact CD2-CG1 4.45Å; L550-V589 PolarHBondContact N-O 2.75Å; L550-L590 HydrophobicContact CB-CD1 4.36Å; L550-L590 HydrophobicContact CD2-CD1 3.77Å; L550-L590 HydrophobicContact CG-CD1 3.97Å; L550-V591 PolarHBondContact O-N 2.85Å
551L98Very high92.1Very high0 Ų031.9 Ų31.90%016%0.164CC..EExtended strand (participates in β ladder)trans-101117.4178.1-18058000111T491 T494 L505 L506 R507 F508 V591 T593T491-L551 HydrophobicContact CG2-CD2 3.81Å; T494-L551 HydrophobicContact CG2-CB 4.01Å; T494-L551 HydrophobicContact CG2-CD1 4.12Å; T494-L551 HydrophobicContact CG2-CD2 4.32Å; T494-L551 HydrophobicContact CG2-CG 4.37Å; L505-L551 HydrophobicContact CD1-CB 4.14Å; L506-L551 PolarHBondContact O-N 3.01Å; R507-L551 WeakPolarHBondContact CA-O 3.33Å; R507-L551 HydrophobicContact CG-CB 4.46Å; R507-L551 HydrophobicContact CG-CD2 4.11Å; R507-L551 HydrophobicContact CG-CG 4.37Å; F508-L551 PolarHBondContact N-O 2.9Å; L551-V591 CarbonylContact C-O 3.56Å; L551-V591 WeakPolarHBondContact CA-O 3.3Å; L551-V591 HydrophobicContact CD1-CB 4.27Å; L551-V591 HydrophobicContact CD1-CG1 3.98Å; L551-T593 HydrophobicContact CD1-CG2 3.64Å
552L97.6Very high92.3Very high5 Ų531 Ų313%0.02616%0.157CC..EExtended strand (participates in β ladder)trans-106.7100.1171.1-52.1179.4000108.6F508 M510 L550 I555 L566 L590 V591 M592 T593F508-L552 HydrophobicContact CB-CD2 3.91Å; F508-L552 HydrophobicContact CD2-CD2 4.23Å; F508-L552 HydrophobicContact CG-CD2 4.38Å; F508-L552 WeakPolarHBondContact O-CA 2.99Å; M510-L552 HydrophobicContact CE-CB 4.37Å; M510-L552 HydrophobicContact CE-CD2 3.86Å; M510-L552 HydrophobicContact CG-CB 4.17Å; M510-L552 HydrophobicContact SD-CB 4.33Å; M510-L552 HydrophobicContact SD-CD2 4.49Å; L550-L552 HydrophobicContact CD1-CD2 4.03Å; L550-L552 HydrophobicContact CG-CD2 4.2Å; L550-L552 HydrophobicContact CG-CG 4.46Å; L552-I555 HydrophobicContact CB-CD1 4.42Å; L552-I555 HydrophobicContact CD1-CD1 4.45Å; L552-L566 HydrophobicContact CD1-CD1 3.62Å; L552-L566 HydrophobicContact CD1-CD2 3.41Å; L552-L566 VanDerWaalsContact CD1-CD2 3.41Å; L552-L566 HydrophobicContact CD1-CG 4.13Å; L552-L590 HydrophobicContact CD1-CD1 3.88Å; L552-L590 HydrophobicContact CG-CD1 4.25Å; L552-V591 PolarHBondContact N-O 3.16Å; L552-M592 HydrophobicContact CB-CG 3.95Å; L552-M592 HydrophobicContact CD1-CG 3.98Å; L552-M592 HydrophobicContact CG-CG 4.35Å; L552-M592 CarbonylContact O-C 3.24Å; L552-M592 VanDerWaalsContact O-CA 3.32Å; L552-M592 WeakPolarHBondContact O-CA 3.48Å; L552-T593 PolarHBondContact O-N 2.89Å
553D95.6Very high92.5Very high11 Ų1132.6 Ų32.66%0.05916%0.163CC..EExtended strand (participates in β ladder)trans-81.6138.7-174-141.40.6000110.4R507 F508 M510 I555 T593R507-D553 IonicContact CZ-OD2 2.66Å; R507-D553 IonicContact NE-OD2 2.97Å; R507-D553 IonicContact NH2-OD2 3.58Å; R507-D553 PolarHBondContact NH2-OD2 2.8Å; F508-D553 PolarHBondContact O-N 3.48Å; M510-D553 WeakPolarHBondContact CB-O 3.12Å; M510-D553 VanDerWaalsContact CG-O 3.28Å; M510-D553 WeakPolarHBondContact CG-O 3.41Å; M510-D553 PolarHBondContact N-O 3.4Å; D553-I555 PolarHBondContact O-N 3.49Å; D553-T593 WeakPolarHBondContact CA-OG1 3.39Å; D553-T593 PolarHBondContact OD1-OG1 2.92Å
554E94.6Very high92.8Very high23 Ų2334.2 Ų34.211%0.10717%0.173CC..THydrogen-bonded Turntrans55.947.1176.6-54.3-169.2145.700114.3S511 E556 K557 T593 N595S511-E554 PolarHBondContact OG-OE2 3.38Å; E554-E556 VanDerWaalsContact C-OE2 3.29Å; E554-E556 PolarHBondContact O-N 3.01Å; E554-K557 HydrophobicContact CB-CD 4.18Å; E554-K557 WeakPolarHBondContact O-CB 3.5Å; E554-K557 PolarHBondContact O-N 3.2Å; E554-K557 IonicContact OE1-NZ 2.69Å; E554-K557 WeakPolarHBondContact OE2-CE 3.38Å; E554-K557 IonicContact OE2-NZ 3.55Å; E554-K557 PolarHBondContact OE2-NZ 3.11Å; E554-T593 WeakPolarHBondContact CA-O 3.12Å; E554-T593 PolarHBondContact N-O 2.95Å; E554-T593 VanDerWaalsContact N-O 3.17Å; E554-T593 PolarHBondContact N-OG1 3.03Å; E554-N595 PolarHBondContact OE1-ND2 3.46Å
555I96.1Very high93.2Very high0 Ų028.6 Ų28.60%015%0.149CC..G310 helixtrans-56.4-24.8-173.3-168.762.1000114.1L481 M510 L552 D553 K557 A558 V562 F563 L566 M592 T593 F625L481-I555 HydrophobicContact CD1-CG2 3.88Å; M510-I555 HydrophobicContact CG-CB 4.45Å; M510-I555 HydrophobicContact CG-CD1 3.73Å; M510-I555 HydrophobicContact SD-CD1 3.88Å; L552-I555 HydrophobicContact CB-CD1 4.42Å; L552-I555 HydrophobicContact CD1-CD1 4.45Å; D553-I555 PolarHBondContact O-N 3.49Å; I555-K557 PolarHBondContact O-N 3.45Å; I555-A558 HydrophobicContact CD1-CB 4.03Å; I555-A558 VanDerWaalsContact O-CB 3.29Å; I555-A558 WeakPolarHBondContact O-CB 3.35Å; I555-A558 PolarHBondContact O-N 2.93Å; I555-A558 VanDerWaalsContact O-N 3.12Å; I555-V562 HydrophobicContact CD1-CG1 4.22Å; I555-F563 HydrophobicContact CG1-CE1 4.12Å; I555-F563 HydrophobicContact CG1-CZ 4.23Å; I555-F563 WeakPolarHBondContact O-CZ 3.27Å; I555-L566 HydrophobicContact CD1-CD1 3.82Å; I555-M592 HydrophobicContact CB-CB 4.22Å; I555-M592 HydrophobicContact CB-CG 4.43Å; I555-M592 HydrophobicContact CG1-CG 4.24Å; I555-M592 HydrophobicContact CG1-SD 4.35Å; I555-M592 HydrophobicContact CG2-CB 4.06Å; I555-T593 WeakPolarHBondContact CG2-O 3.38Å; I555-T593 PolarHBondContact N-O 2.96Å; I555-F625 HydrophobicContact CG1-CE1 4.47Å; I555-F625 HydrophobicContact CG2-CE1 3.53Å; I555-F625 HydrophobicContact CG2-CZ 3.49Å; I555-F625 VanDerWaalsContact CG2-CZ 3.49Å
556E93.8Very high93.7Very high48 Ų4826.6 Ų26.622%0.22414%0.14CC..G310 helixtrans-62.5-20.1175.769.1-84.6-159.700113.9E554 T594 N595 I624E554-E556 VanDerWaalsContact C-OE2 3.29Å; E554-E556 PolarHBondContact O-N 3.01Å; E556-T594 WeakPolarHBondContact OE2-CA 3.46Å; E556-T594 WeakPolarHBondContact OE2-CB 3.39Å; E556-T594 PolarHBondContact OE2-OG1 3.27Å; E556-N595 PolarHBondContact OE1-N 3.06Å; E556-I624 HydrophobicContact CB-CD1 4.33Å; E556-I624 HydrophobicContact CB-CG2 4.07Å
557K93.7Very high94.2Very high86 Ų8626 Ų2637%0.37414%0.135SC..G310 helixtrans-88-14.7177.8-63.4179.6179.8174.70112.8S511 M514 E554 I555S511-K557 VanDerWaalsContact OG-CD 3.26Å; S511-K557 WeakPolarHBondContact OG-CD 3.5Å; M514-K557 HydrophobicContact CG-CB 4.46Å; M514-K557 WeakPolarHBondContact CG-O 3.4Å; E554-K557 HydrophobicContact CB-CD 4.18Å; E554-K557 WeakPolarHBondContact O-CB 3.5Å; E554-K557 PolarHBondContact O-N 3.2Å; E554-K557 IonicContact OE1-NZ 2.69Å; E554-K557 WeakPolarHBondContact OE2-CE 3.38Å; E554-K557 IonicContact OE2-NZ 3.55Å; E554-K557 PolarHBondContact OE2-NZ 3.11Å; I555-K557 PolarHBondContact O-N 3.45Å
558A94.6Very high94.4Very high9 Ų928.7 Ų28.77%0.07415%0.147CC..SBendtrans-62149.9-177.100000111.8M510 I555 V562 F563M510-A558 HydrophobicContact CB-CB 3.95Å; M510-A558 HydrophobicContact CG-CB 4.28Å; M510-A558 HydrophobicContact SD-CB 4.19Å; I555-A558 HydrophobicContact CD1-CB 4.03Å; I555-A558 VanDerWaalsContact O-CB 3.29Å; I555-A558 WeakPolarHBondContact O-CB 3.35Å; I555-A558 PolarHBondContact O-N 2.93Å; I555-A558 VanDerWaalsContact O-N 3.12Å; A558-V562 HydrophobicContact CB-CB 3.94Å; A558-V562 HydrophobicContact CB-CG1 4.16Å; A558-V562 HydrophobicContact CB-CG2 4.05Å; A558-F563 HydrophobicContact CB-CE2 4.08Å
559H94.6Very high94.5Very high41 Ų4128.7 Ų28.719%0.1915%0.148CC..  trans-62145.6167.8-173.2-91.7000111.1Y513 V519 D561 V562Y513-H559 WeakPolarHBondContact O-CB 3.46Å; Y513-H559 PolarHBondContact O-N 2.94Å; V519-H559 HydrophobicContact CG2-CB 3.71Å; H559-D561 VanDerWaalsContact CE1-CG 3.46Å; H559-D561 IonicContact CE1-OD1 3.79Å; H559-D561 IonicContact CE1-OD2 3.33Å; H559-D561 WeakPolarHBondContact ND1-CB 3.34Å; H559-D561 PolarHBondContact ND1-N 3.46Å; H559-D561 VanDerWaalsContact ND1-N 3.14Å; H559-D561 IonicContact ND1-OD1 3.33Å; H559-D561 IonicContact ND1-OD2 2.69Å; H559-D561 PolarHBondContact O-N 3.43Å; H559-V562 WeakPolarHBondContact O-CB 2.81Å; H559-V562 PolarHBondContact O-N 2.8Å
560P92.3Very high94.5Very high85 Ų8528.8 Ų28.855%0.55215%0.148SC*.Hα-helixtrans-50-34.2178.3-32.137.2000115.4V562 F563 N564P560-V562 PolarHBondContact O-N 3.15Å; P560-F563 WeakPolarHBondContact O-CB 3.18Å; P560-F563 PolarHBondContact O-N 3.19Å; P560-N564 PolarHBondContact O-N 2.96Å
561D92.4Very high94.1Very high46 Ų4630.8 Ų30.825%0.24616%0.159CC..Hα-helixtrans-60.9-26.8177.4-69.6-3000113.1R516 V519 H559 F563 N564 I565R516-D561 WeakPolarHBondContact CG-OD2 3.41Å; R516-D561 IonicContact NE-OD2 3.94Å; R516-D561 PolarHBondContact NE-OD2 3.46Å; R516-D561 VanDerWaalsContact NE-OD2 3.07Å; V519-D561 HydrophobicContact CG1-CB 4.11Å; H559-D561 VanDerWaalsContact CE1-CG 3.46Å; H559-D561 IonicContact CE1-OD1 3.79Å; H559-D561 IonicContact CE1-OD2 3.33Å; H559-D561 WeakPolarHBondContact ND1-CB 3.34Å; H559-D561 PolarHBondContact ND1-N 3.46Å; H559-D561 VanDerWaalsContact ND1-N 3.14Å; H559-D561 IonicContact ND1-OD1 3.33Å; H559-D561 IonicContact ND1-OD2 2.69Å; H559-D561 PolarHBondContact O-N 3.43Å; D561-F563 VanDerWaalsContact C-N 3.34Å; D561-N564 PolarHBondContact O-N 3Å; D561-I565 WeakPolarHBondContact O-CG1 3.41Å; D561-I565 PolarHBondContact O-N 3.2Å
562V94.7Very high93.7Very high3 Ų335.3 Ų35.32%0.01818%0.183CC..Hα-helixtrans-64.1-41.1173.5178.90000110.5M510 V519 L522 I555 A558 H559 P560 N564 I565 L566M510-V562 HydrophobicContact SD-CG1 3.96Å; V519-V562 HydrophobicContact CB-CG2 4.42Å; V519-V562 HydrophobicContact CG1-CG2 3.99Å; V519-V562 HydrophobicContact CG2-CG2 3.64Å; L522-V562 HydrophobicContact CD1-CG2 4.26Å; I555-V562 HydrophobicContact CD1-CG1 4.22Å; A558-V562 HydrophobicContact CB-CB 3.94Å; A558-V562 HydrophobicContact CB-CG1 4.16Å; A558-V562 HydrophobicContact CB-CG2 4.05Å; H559-V562 WeakPolarHBondContact O-CB 2.81Å; H559-V562 PolarHBondContact O-N 2.8Å; P560-V562 PolarHBondContact O-N 3.15Å; V562-N564 VanDerWaalsContact C-N 3.28Å; V562-N564 PolarHBondContact O-N 3.34Å; V562-I565 WeakPolarHBondContact O-CB 3.29Å; V562-I565 PolarHBondContact O-N 3.07Å; V562-I565 VanDerWaalsContact O-N 3.15Å; V562-L566 HydrophobicContact CG1-CD1 4.16Å; V562-L566 HydrophobicContact CG1-CG 4.34Å; V562-L566 WeakPolarHBondContact O-CG 3.18Å; V562-L566 PolarHBondContact O-N 3.47Å
563F94.9Very high93.3Very high32 Ų3235.1 Ų35.114%0.1418%0.182CC..Hα-helixtrans-62.6-37.3178.5-63.2-96.5000111.6I555 A558 P560 D561 L566 L567 F625 F629I555-F563 HydrophobicContact CG1-CE1 4.12Å; I555-F563 HydrophobicContact CG1-CZ 4.23Å; I555-F563 WeakPolarHBondContact O-CZ 3.27Å; A558-F563 HydrophobicContact CB-CE2 4.08Å; P560-F563 WeakPolarHBondContact O-CB 3.18Å; P560-F563 PolarHBondContact O-N 3.19Å; D561-F563 VanDerWaalsContact C-N 3.34Å; F563-L566 PolarHBondContact O-N 3.07Å; F563-L567 WeakPolarHBondContact O-CG 3.48Å; F563-L567 PolarHBondContact O-N 3.39Å; F563-F625 AromaticContact CE1-CD1 3.82Å; F563-F625 HydrophobicContact CE1-CD1 3.82Å; F563-F625 AromaticContact CE1-CE1 3.76Å; F563-F625 HydrophobicContact CE1-CE1 3.76Å; F563-F625 HydrophobicContact CZ-CE1 4.42Å; F563-F629 HydrophobicContact CB-CD2 4.24Å; F563-F629 HydrophobicContact CB-CE2 4.22Å; F563-F629 AromaticContact CD1-CD2 3.86Å; F563-F629 HydrophobicContact CD1-CD2 3.86Å; F563-F629 HydrophobicContact CD1-CE1 4.39Å; F563-F629 AromaticContact CD1-CE2 3.68Å; F563-F629 HydrophobicContact CD1-CE2 3.68Å; F563-F629 HydrophobicContact CD1-CG 4.29Å; F563-F629 AromaticContact CD1-CZ 3.94Å; F563-F629 HydrophobicContact CD1-CZ 3.94Å; F563-F629 HydrophobicContact CE1-CZ 4.45Å; F563-F629 HydrophobicContact CG-CE2 4.4Å
564N91.4Very high93.1Very high98 Ų9836.6 Ų36.652%0.52419%0.192SC..Hα-helixtrans-63.2-41.7175.4-65-31.5000111.9P560 D561 V562 L566 L567 Q568P560-N564 PolarHBondContact O-N 2.96Å; D561-N564 PolarHBondContact O-N 3Å; V562-N564 VanDerWaalsContact C-N 3.28Å; V562-N564 PolarHBondContact O-N 3.34Å; N564-L566 VanDerWaalsContact C-N 3.34Å; N564-L567 PolarHBondContact O-N 2.76Å; N564-Q568 PolarHBondContact O-N 2.85Å
565I92.8Very high92.9Very high17 Ų1735.7 Ų35.79%0.08719%0.187CC..Hα-helixtrans-61.2-45.4174.5-68.6164.2000110.3V519 I523 D561 V562 L567 Q568 V569 L575V519-I565 HydrophobicContact CG1-CD1 3.58Å; I523-I565 HydrophobicContact CD1-CD1 4.39Å; I523-I565 HydrophobicContact CG2-CD1 3.84Å; I523-I565 HydrophobicContact CG2-CG1 4.33Å; I523-I565 HydrophobicContact CG2-CG2 4.43Å; D561-I565 WeakPolarHBondContact O-CG1 3.41Å; D561-I565 PolarHBondContact O-N 3.2Å; V562-I565 WeakPolarHBondContact O-CB 3.29Å; V562-I565 PolarHBondContact O-N 3.07Å; V562-I565 VanDerWaalsContact O-N 3.15Å; I565-L567 PolarHBondContact O-N 3.2Å; I565-Q568 WeakPolarHBondContact O-CB 3.48Å; I565-Q568 PolarHBondContact O-N 3.3Å; I565-V569 WeakPolarHBondContact O-CG2 3.48Å; I565-V569 PolarHBondContact O-N 2.84Å; I565-V569 VanDerWaalsContact O-N 3.09Å; I565-L575 HydrophobicContact CG2-CD1 3.82Å; I565-L575 HydrophobicContact CG2-CD2 3.63Å; I565-L575 HydrophobicContact CG2-CG 4.4Å
566L95.2Very high92.4Very high3 Ų338.2 Ų38.22%0.01620%0.203CC..Hα-helixtrans-67.1-35.7-179.9-64.1178.3000112.8L552 I555 V562 F563 N564 Q568 V569 M570 M592 F629L552-L566 HydrophobicContact CD1-CD1 3.62Å; L552-L566 HydrophobicContact CD1-CD2 3.41Å; L552-L566 VanDerWaalsContact CD1-CD2 3.41Å; L552-L566 HydrophobicContact CD1-CG 4.13Å; I555-L566 HydrophobicContact CD1-CD1 3.82Å; V562-L566 HydrophobicContact CG1-CD1 4.16Å; V562-L566 HydrophobicContact CG1-CG 4.34Å; V562-L566 WeakPolarHBondContact O-CG 3.18Å; V562-L566 PolarHBondContact O-N 3.47Å; F563-L566 PolarHBondContact O-N 3.07Å; N564-L566 VanDerWaalsContact C-N 3.34Å; L566-Q568 VanDerWaalsContact C-N 3.31Å; L566-Q568 PolarHBondContact O-N 2.83Å; L566-V569 PolarHBondContact O-N 2.84Å; L566-M570 HydrophobicContact CB-CE 4.35Å; L566-M570 WeakPolarHBondContact O-CB 3.2Å; L566-M570 VanDerWaalsContact O-CG 3.3Å; L566-M570 WeakPolarHBondContact O-CG 3.32Å; L566-M570 PolarHBondContact O-N 3.32Å; L566-M592 HydrophobicContact CD1-SD 3.86Å; L566-F629 HydrophobicContact CB-CE2 3.93Å; L566-F629 HydrophobicContact CB-CZ 4.44Å; L566-F629 HydrophobicContact CD1-CE2 4.24Å; L566-F629 HydrophobicContact CD1-CZ 4.11Å
567L94.4Very high92Very high21 Ų2136.2 Ų36.211%0.1119%0.194CC..Hα-helixtrans-58-45.3172.3-75.5171.8000111.1F563 N564 I565 V569 M570 D571 E628 F629 R632F563-L567 WeakPolarHBondContact O-CG 3.48Å; F563-L567 PolarHBondContact O-N 3.39Å; N564-L567 PolarHBondContact O-N 2.76Å; I565-L567 PolarHBondContact O-N 3.2Å; L567-V569 VanDerWaalsContact C-N 3.33Å; L567-V569 PolarHBondContact O-N 3.39Å; L567-M570 HydrophobicContact CD2-CE 4.15Å; L567-M570 PolarHBondContact O-N 3.23Å; L567-D571 WeakPolarHBondContact O-CB 3.35Å; L567-D571 PolarHBondContact O-N 3.46Å; L567-E628 HydrophobicContact CD1-CG 4.42Å; L567-E628 HydrophobicContact CD2-CG 4.2Å; L567-F629 HydrophobicContact CD2-CD2 4.09Å; L567-F629 HydrophobicContact CG-CD2 4.17Å; L567-R632 HydrophobicContact CD2-CG 3.71Å
568Q91.6Very high91.3Very high74 Ų7435.2 Ų35.235%0.34619%0.192SC..Hα-helixtrans-61.4-42176.4-178178.8-16.500112.1N564 I565 L566 N572N564-Q568 PolarHBondContact O-N 2.85Å; I565-Q568 WeakPolarHBondContact O-CB 3.48Å; I565-Q568 PolarHBondContact O-N 3.3Å; L566-Q568 VanDerWaalsContact C-N 3.31Å; L566-Q568 PolarHBondContact O-N 2.83Å; Q568-N572 PolarHBondContact O-N 3.22Å
569V94.5Very high90.1Very high1 Ų135.6 Ų35.61%0.00619%0.193CC..Hα-helixtrans-64-46.4177.2170.10000111.6P476 I565 L566 L567 D571 G573 L575 F585P476-V569 HydrophobicContact CG-CG1 4.16Å; I565-V569 WeakPolarHBondContact O-CG2 3.48Å; I565-V569 PolarHBondContact O-N 2.84Å; I565-V569 VanDerWaalsContact O-N 3.09Å; L566-V569 PolarHBondContact O-N 2.84Å; L567-V569 VanDerWaalsContact C-N 3.33Å; L567-V569 PolarHBondContact O-N 3.39Å; V569-D571 VanDerWaalsContact C-N 3.31Å; V569-D571 PolarHBondContact O-N 3.21Å; V569-G573 WeakPolarHBondContact O-CA 3.2Å; V569-G573 PolarHBondContact O-N 2.98Å; V569-L575 HydrophobicContact CG2-CB 4.01Å; V569-L575 HydrophobicContact CG2-CD1 4.4Å; V569-L575 HydrophobicContact CG2-CD2 4.22Å; V569-L575 HydrophobicContact CG2-CG 4.46Å; V569-F585 HydrophobicContact CG1-CB 3.81Å; V569-F585 HydrophobicContact CG1-CD1 3.49Å; V569-F585 VanDerWaalsContact CG1-CD1 3.49Å; V569-F585 HydrophobicContact CG1-CD2 4.23Å; V569-F585 HydrophobicContact CG1-CE1 4.04Å; V569-F585 HydrophobicContact CG1-CG 3.59Å; V569-F585 HydrophobicContact CG2-CD1 4.39Å; V569-F585 HydrophobicContact CG2-CD2 4.26Å; V569-F585 HydrophobicContact CG2-CE1 4.22Å; V569-F585 HydrophobicContact CG2-CE2 4.16Å; V569-F585 HydrophobicContact CG2-CG 4.39Å; V569-F585 HydrophobicContact CG2-CZ 4.12Å
570M93.8Very high89.2Confident1 Ų136 Ų361%0.00521%0.209CC..Hα-helixtrans-69.8-27.5-178.6-68-175.2-68.400113K475 L566 L567 L590 F629 R632 L633K475-M570 WeakPolarHBondContact CD-O 3.42Å; K475-M570 WeakPolarHBondContact CG-O 3.39Å; L566-M570 HydrophobicContact CB-CE 4.35Å; L566-M570 WeakPolarHBondContact O-CB 3.2Å; L566-M570 VanDerWaalsContact O-CG 3.3Å; L566-M570 WeakPolarHBondContact O-CG 3.32Å; L566-M570 PolarHBondContact O-N 3.32Å; L567-M570 HydrophobicContact CD2-CE 4.15Å; L567-M570 PolarHBondContact O-N 3.23Å; M570-L590 HydrophobicContact CG-CD2 3.85Å; M570-L590 HydrophobicContact SD-CD2 4.26Å; M570-F629 HydrophobicContact CE-CD2 3.9Å; M570-F629 HydrophobicContact CE-CE2 3.62Å; M570-F629 HydrophobicContact CE-CZ 4.03Å; M570-R632 HydrophobicContact CB-CB 4.01Å; M570-R632 HydrophobicContact CE-CB 3.66Å; M570-R632 HydrophobicContact CE-CG 4.37Å; M570-R632 HydrophobicContact SD-CB 3.84Å; M570-L633 HydrophobicContact SD-CD2 4.06Å
571D90.4Very high88.5Confident43 Ų4338 Ų3823%0.2321%0.205CC..Hα-helixtrans-85.7-46.5-178.9-80.1-0.5000113.4L567 V569 R632L567-D571 WeakPolarHBondContact O-CB 3.35Å; L567-D571 PolarHBondContact O-N 3.46Å; V569-D571 VanDerWaalsContact C-N 3.31Å; V569-D571 PolarHBondContact O-N 3.21Å; D571-R632 WeakPolarHBondContact OD1-CD 3.36Å; D571-R632 IonicContact OD1-CZ 2.95Å; D571-R632 IonicContact OD1-NE 2.65Å; D571-R632 PolarHBondContact OD1-NE 2.78Å; D571-R632 VanDerWaalsContact OD1-NE 3.16Å; D571-R632 IonicContact OD1-NH1 3.62Å; D571-R632 PolarHBondContact OD1-NH1 2.93Å; D571-R632 IonicContact OD1-NH2 2.76Å; D571-R632 IonicContact OD2-CZ 2.64Å; D571-R632 IonicContact OD2-NE 3.51Å; D571-R632 IonicContact OD2-NH1 2.79Å; D571-R632 PolarHBondContact OD2-NH1 2.92Å; D571-R632 IonicContact OD2-NH2 3.16Å; D571-R632 PolarHBondContact OD2-NH2 3.16Å
572N88.5Confident88.1Confident95 Ų9542.8 Ų42.851%0.50822%0.224SC..Hα-helixtrans-108.3-6.6-170.9-60.9-38.1000113.4H474 Q568 T574H474-N572 CarbonylContact O-C 3.55Å; Q568-N572 PolarHBondContact O-N 3.22Å; N572-T574 PolarHBondContact O-N 3.11Å; N572-T574 PolarHBondContact O-OG1 2.56Å
573G90.5Very high87.8Confident0 Ų042.7 Ų42.70%022%0.223CC..SBendtrans6017.3-175.500000112.8H474 V569 F585 R586H474-G573 WeakPolarHBondContact O-CA 3.37Å; H474-G573 PolarHBondContact O-N 2.99Å; V569-G573 WeakPolarHBondContact O-CA 3.2Å; V569-G573 PolarHBondContact O-N 2.98Å; G573-F585 WeakPolarHBondContact O-CA 3.32Å; G573-F585 PolarHBondContact O-N 3.07Å; G573-R586 PolarHBondContact O-N 3.33Å
574T90.5Very high87.5Confident43 Ų4342.5 Ų42.526%0.26422%0.224SC..EExtended strand (participates in β ladder)trans-145.5145-176.1530000110.6N572 A583N572-T574 PolarHBondContact O-N 3.11Å; N572-T574 PolarHBondContact O-OG1 2.56Å; T574-A583 CarbonylContact C-O 3.47Å; T574-A583 VanDerWaalsContact CA-O 3.22Å; T574-A583 WeakPolarHBondContact CA-O 3.41Å
575L91.1Very high87.6Confident3 Ų337.9 Ų37.92%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-126.7132.7173.6-172.758.7000108.6I523 L538 T539 I565 V569 K582 A583 F585I523-L575 HydrophobicContact CG2-CD2 3.98Å; I523-L575 HydrophobicContact CG2-CG 4.46Å; L538-L575 HydrophobicContact CD2-CD2 3.94Å; T539-L575 HydrophobicContact CG2-CB 4.29Å; T539-L575 HydrophobicContact CG2-CD2 3.77Å; T539-L575 HydrophobicContact CG2-CG 3.97Å; I565-L575 HydrophobicContact CG2-CD1 3.82Å; I565-L575 HydrophobicContact CG2-CD2 3.63Å; I565-L575 HydrophobicContact CG2-CG 4.4Å; V569-L575 HydrophobicContact CG2-CB 4.01Å; V569-L575 HydrophobicContact CG2-CD1 4.4Å; V569-L575 HydrophobicContact CG2-CD2 4.22Å; V569-L575 HydrophobicContact CG2-CG 4.46Å; L575-K582 CarbonylContact O-C 3.26Å; L575-K582 WeakPolarHBondContact O-CA 3.29Å; L575-A583 PolarHBondContact N-O 2.83Å; L575-A583 PolarHBondContact O-N 2.86Å; L575-F585 HydrophobicContact CB-CD2 4.29Å; L575-F585 HydrophobicContact CB-CE2 3.56Å; L575-F585 HydrophobicContact CB-CZ 4.24Å; L575-F585 HydrophobicContact CD2-CE2 4.39Å; L575-F585 HydrophobicContact CD2-CZ 4.27Å
576T85.4Confident87.4Confident53 Ų5340 Ų4033%0.32521%0.206SC..EExtended strand (participates in β ladder)trans-102.5127.1173.6-47.30000108.1R581 K582T576-R581 CarbonylContact C-O 3.57Å; T576-R581 VanDerWaalsContact CA-O 3.31Å; T576-R581 WeakPolarHBondContact CA-O 3.35Å; T576-K582 HydrophobicContact CG2-CG 4.07Å
577D85.6Confident86.9Confident7 Ų742.7 Ų42.74%0.03722%0.22CC..  trans-75.2172.7176.182.7-3.9000111I523 T539 N579 G580 R581I523-D577 WeakPolarHBondContact O-CA 3.41Å; I523-D577 VanDerWaalsContact O-CB 3.27Å; I523-D577 WeakPolarHBondContact O-CB 3.45Å; T539-D577 HydrophobicContact CG2-CB 3.97Å; D577-N579 PolarHBondContact O-N 2.91Å; D577-N579 WeakPolarHBondContact OD1-CA 3.22Å; D577-N579 WeakPolarHBondContact OD1-CB 3.45Å; D577-N579 PolarHBondContact OD1-N 2.88Å; D577-G580 PolarHBondContact O-N 3.49Å; D577-G580 PolarHBondContact OD1-N 2.92Å; D577-R581 PolarHBondContact N-O 3.1Å; D577-R581 WeakPolarHBondContact OD1-CB 3.29Å; D577-R581 PolarHBondContact OD1-N 3.09Å; D577-R581 WeakPolarHBondContact OD2-CB 3.24Å
578N77.7Confident86.8Confident64 Ų6441.7 Ų41.734%0.34222%0.215SC..THydrogen-bonded Turntrans-68.2-12.1178.3-78.1-31.7000113.9I523 G524 A525I523-N578 PolarHBondContact O-N 2.93Å; G524-N578 PolarHBondContact O-ND2 3.01Å; A525-N578 WeakPolarHBondContact O-CB 3.31Å
579N70.6Confident86.9Confident18 Ų1838.3 Ų38.310%0.09620%0.199CC..THydrogen-bonded Turntrans-92.82.7173.8-64.7-24.3000111.8Q314 F532 D577 R581Q314-N579 PolarHBondContact NE2-O 3.09Å; F532-N579 VanDerWaalsContact CE2-OD1 3.23Å; F532-N579 WeakPolarHBondContact CE2-OD1 3.32Å; F532-N579 VanDerWaalsContact CZ-OD1 3.3Å; F532-N579 WeakPolarHBondContact CZ-OD1 3.41Å; F532-N579 PolarHBondContact O-ND2 3.25Å; F532-N579 PolarHBondContact O-OD1 3.14Å; D577-N579 PolarHBondContact O-N 2.91Å; D577-N579 WeakPolarHBondContact OD1-CA 3.22Å; D577-N579 WeakPolarHBondContact OD1-CB 3.45Å; D577-N579 PolarHBondContact OD1-N 2.88Å; N579-R581 VanDerWaalsContact C-N 3.29Å; N579-R581 PolarHBondContact O-N 3.4Å
580G75Confident87Confident50 Ų5038.3 Ų38.352%0.51520%0.199SC..SBendtrans80.32.7-179.400000114.7D577D577-G580 PolarHBondContact O-N 3.49Å; D577-G580 PolarHBondContact OD1-N 2.92Å
581R77.9Confident87.2Confident127 Ų12738.2 Ų38.248%0.47920%0.199SC..PPolyproline II helixtrans-73.4134.4174.9-59.7-178.9172.6176.5-0.1109.6I543 T576 D577 N579I543-R581 HydrophobicContact CD1-CB 4.48Å; T576-R581 CarbonylContact C-O 3.57Å; T576-R581 VanDerWaalsContact CA-O 3.31Å; T576-R581 WeakPolarHBondContact CA-O 3.35Å; D577-R581 PolarHBondContact N-O 3.1Å; D577-R581 WeakPolarHBondContact OD1-CB 3.29Å; D577-R581 PolarHBondContact OD1-N 3.09Å; D577-R581 WeakPolarHBondContact OD2-CB 3.24Å; N579-R581 VanDerWaalsContact C-N 3.29Å; N579-R581 PolarHBondContact O-N 3.4Å
582K84.1Confident87.6Confident146 Ų14636.2 Ų36.264%0.63519%0.188SC*.EExtended strand (participates in β ladder)trans-100.1121179.2-68.3-175.3178.7178.20110.7L575 T576L575-K582 CarbonylContact O-C 3.26Å; L575-K582 WeakPolarHBondContact O-CA 3.29Å; T576-K582 HydrophobicContact CG2-CG 4.07Å
583A88.4Confident87.9Confident1 Ų131.7 Ų31.71%0.00816%0.164CC..EExtended strand (participates in β ladder)trans-94.6136.3168.600000110.3T539 V542 I543 T574 L575 F585T539-A583 HydrophobicContact CG2-CB 4.02Å; V542-A583 HydrophobicContact CB-CB 4.36Å; V542-A583 HydrophobicContact CG1-CB 4.31Å; I543-A583 HydrophobicContact CD1-CB 4.29Å; I543-A583 HydrophobicContact CG1-CB 3.93Å; T574-A583 CarbonylContact C-O 3.47Å; T574-A583 VanDerWaalsContact CA-O 3.22Å; T574-A583 WeakPolarHBondContact CA-O 3.41Å; L575-A583 PolarHBondContact N-O 2.83Å; L575-A583 PolarHBondContact O-N 2.86Å; A583-F585 HydrophobicContact CB-CD2 4.46Å; A583-F585 HydrophobicContact CB-CE2 3.79Å
584D89Confident88.1Confident28 Ų2831.7 Ų31.715%0.1516%0.164CC..EExtended strand (participates in β ladder)trans-104.4118-177.4-173.1-3.5000111V542 R586V542-D584 WeakPolarHBondContact CG1-O 3.3Å; D584-R586 VanDerWaalsContact OD1-CB 3.31Å; D584-R586 WeakPolarHBondContact OD1-CB 3.38Å; D584-R586 VanDerWaalsContact OD1-CG 3.26Å; D584-R586 WeakPolarHBondContact OD1-CG 3.28Å; D584-R586 IonicContact OD1-CZ 3.81Å; D584-R586 PolarHBondContact OD1-N 2.72Å; D584-R586 IonicContact OD1-NE 2.84Å; D584-R586 PolarHBondContact OD1-NE 2.98Å; D584-R586 IonicContact OD1-NH2 3.2Å; D584-R586 IonicContact OD2-CZ 2.77Å; D584-R586 VanDerWaalsContact OD2-CZ 3.28Å; D584-R586 IonicContact OD2-NE 3.65Å; D584-R586 PolarHBondContact OD2-NE 3.34Å; D584-R586 VanDerWaalsContact OD2-NE 3.11Å; D584-R586 IonicContact OD2-NH2 3.17Å; D584-R586 PolarHBondContact OD2-NH2 3.31Å
585F92.6Very high88.1Confident1 Ų131.7 Ų31.70%0.00416%0.162CC..  trans-103.10.8-177.3-70.8-107.6000112.9P476 L538 V542 L550 V569 G573 L575 A583 N587 V588P476-F585 WeakPolarHBondContact CA-O 3.14Å; P476-F585 HydrophobicContact CG-CB 4.38Å; L538-F585 HydrophobicContact CD1-CE1 4.26Å; L538-F585 HydrophobicContact CD1-CZ 4.34Å; L538-F585 HydrophobicContact CD2-CZ 4.22Å; L538-F585 HydrophobicContact CG-CE1 4.38Å; L538-F585 HydrophobicContact CG-CZ 4Å; V542-F585 HydrophobicContact CB-CE1 4.46Å; V542-F585 HydrophobicContact CB-CE2 4.39Å; V542-F585 HydrophobicContact CB-CZ 4.17Å; V542-F585 HydrophobicContact CG1-CD1 4.39Å; V542-F585 HydrophobicContact CG1-CD2 4.15Å; V542-F585 HydrophobicContact CG1-CE1 4.4Å; V542-F585 HydrophobicContact CG1-CE2 4.09Å; V542-F585 HydrophobicContact CG1-CG 4.28Å; V542-F585 HydrophobicContact CG1-CZ 4.23Å; V542-F585 HydrophobicContact CG2-CD1 4.22Å; V542-F585 HydrophobicContact CG2-CE1 3.64Å; V542-F585 HydrophobicContact CG2-CE2 4.39Å; V542-F585 HydrophobicContact CG2-CZ 3.72Å; L550-F585 HydrophobicContact CD2-CD1 4.26Å; L550-F585 HydrophobicContact CD2-CE1 3.75Å; V569-F585 HydrophobicContact CG1-CB 3.81Å; V569-F585 HydrophobicContact CG1-CD1 3.49Å; V569-F585 VanDerWaalsContact CG1-CD1 3.49Å; V569-F585 HydrophobicContact CG1-CD2 4.23Å; V569-F585 HydrophobicContact CG1-CE1 4.04Å; V569-F585 HydrophobicContact CG1-CG 3.59Å; V569-F585 HydrophobicContact CG2-CD1 4.39Å; V569-F585 HydrophobicContact CG2-CD2 4.26Å; V569-F585 HydrophobicContact CG2-CE1 4.22Å; V569-F585 HydrophobicContact CG2-CE2 4.16Å; V569-F585 HydrophobicContact CG2-CG 4.39Å; V569-F585 HydrophobicContact CG2-CZ 4.12Å; G573-F585 WeakPolarHBondContact O-CA 3.32Å; G573-F585 PolarHBondContact O-N 3.07Å; L575-F585 HydrophobicContact CB-CD2 4.29Å; L575-F585 HydrophobicContact CB-CE2 3.56Å; L575-F585 HydrophobicContact CB-CZ 4.24Å; L575-F585 HydrophobicContact CD2-CE2 4.39Å; L575-F585 HydrophobicContact CD2-CZ 4.27Å; A583-F585 HydrophobicContact CB-CD2 4.46Å; A583-F585 HydrophobicContact CB-CE2 3.79Å; F585-N587 PolarHBondContact O-N 3.45Å; F585-V588 HydrophobicContact CB-CB 4.39Å; F585-V588 HydrophobicContact CB-CG2 4.45Å; F585-V588 HydrophobicContact CD1-CB 4.38Å; F585-V588 HydrophobicContact CD1-CG1 4.38Å; F585-V588 HydrophobicContact CD1-CG2 4.36Å; F585-V588 WeakPolarHBondContact O-CB 3.43Å; F585-V588 PolarHBondContact O-N 2.98Å
586R88.5Confident87.8Confident62 Ų6232 Ų3223%0.23417%0.165CC..THydrogen-bonded Turntrans-59.3-22.8-177.2-68.1176.4-68.8175.7-1.5113.8E473 K475 G573 D584E473-R586 VanDerWaalsContact O-CD 3.23Å; E473-R586 WeakPolarHBondContact O-CD 3.46Å; K475-R586 WeakPolarHBondContact O-CA 3.46Å; G573-R586 PolarHBondContact O-N 3.33Å; D584-R586 VanDerWaalsContact OD1-CB 3.31Å; D584-R586 WeakPolarHBondContact OD1-CB 3.38Å; D584-R586 VanDerWaalsContact OD1-CG 3.26Å; D584-R586 WeakPolarHBondContact OD1-CG 3.28Å; D584-R586 IonicContact OD1-CZ 3.81Å; D584-R586 PolarHBondContact OD1-N 2.72Å; D584-R586 IonicContact OD1-NE 2.84Å; D584-R586 PolarHBondContact OD1-NE 2.98Å; D584-R586 IonicContact OD1-NH2 3.2Å; D584-R586 IonicContact OD2-CZ 2.77Å; D584-R586 VanDerWaalsContact OD2-CZ 3.28Å; D584-R586 IonicContact OD2-NE 3.65Å; D584-R586 PolarHBondContact OD2-NE 3.34Å; D584-R586 VanDerWaalsContact OD2-NE 3.11Å; D584-R586 IonicContact OD2-NH2 3.17Å; D584-R586 PolarHBondContact OD2-NH2 3.31Å
587N85.5Confident87.5Confident58 Ų5829.6 Ų29.631%0.3115%0.151SC..THydrogen-bonded Turntrans-104.910.8179-70.3-48.7000113.6P546 H547 F585P546-N587 CarbonylContact O-C 3.6Å; P546-N587 VanDerWaalsContact O-CB 3.26Å; P546-N587 WeakPolarHBondContact O-CB 3.39Å; H547-N587 VanDerWaalsContact CE1-CB 3.5Å; H547-N587 WeakPolarHBondContact CE1-CB 3.35Å; H547-N587 WeakPolarHBondContact ND1-CB 3.42Å; F585-N587 PolarHBondContact O-N 3.45Å
588V91.8Very high87.3Confident0 Ų030.1 Ų30.10%016%0.155CC..EExtended strand (participates in β ladder)trans-100.9138.9-178.4176.50000110.1P476 V477 V542 A548 L550 F585P476-V588 WeakPolarHBondContact CB-O 3.47Å; V477-V588 PolarHBondContact N-O 2.99Å; V542-V588 HydrophobicContact CG1-CG2 4.14Å; A548-V588 WeakPolarHBondContact O-CA 3.34Å; L550-V588 HydrophobicContact CB-CG1 3.55Å; L550-V588 HydrophobicContact CD2-CG1 4.45Å; F585-V588 HydrophobicContact CB-CB 4.39Å; F585-V588 HydrophobicContact CB-CG2 4.45Å; F585-V588 HydrophobicContact CD1-CB 4.38Å; F585-V588 HydrophobicContact CD1-CG1 4.38Å; F585-V588 HydrophobicContact CD1-CG2 4.36Å; F585-V588 WeakPolarHBondContact O-CB 3.43Å; F585-V588 PolarHBondContact O-N 2.98Å
589V94.2Very high87.2Confident3 Ų336.6 Ų36.62%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-92.8112.6166.5-178.50000107.8V477 F480 L497 A548 V549 L550 V591V477-V589 HydrophobicContact CB-CG2 3.9Å; V477-V589 HydrophobicContact CG1-CG2 3.86Å; F480-V589 HydrophobicContact CD2-CG1 4.18Å; F480-V589 HydrophobicContact CE2-CG1 3.89Å; L497-V589 HydrophobicContact CD2-CG1 4.11Å; A548-V589 PolarHBondContact O-N 2.74Å; V549-V589 CarbonylContact C-O 3.52Å; V549-V589 WeakPolarHBondContact CA-O 3.37Å; V549-V589 HydrophobicContact CG1-CB 4.3Å; V549-V589 HydrophobicContact CG1-CG1 4.45Å; V549-V589 HydrophobicContact CG2-CB 4.34Å; L550-V589 PolarHBondContact N-O 2.75Å; V589-V591 HydrophobicContact CG1-CG2 4.12Å
590L96.6Very high87.3Confident1 Ų137.5 Ų37.51%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-91118.5-179.6177.564.2000110G478 S479 F480 L550 L552 M570 M592G478-L590 PolarHBondContact O-N 2.85Å; S479-L590 CarbonylContact C-O 3.57Å; S479-L590 WeakPolarHBondContact CA-O 3.46Å; F480-L590 PolarHBondContact N-O 2.64Å; L550-L590 HydrophobicContact CB-CD1 4.36Å; L550-L590 HydrophobicContact CD2-CD1 3.77Å; L550-L590 HydrophobicContact CG-CD1 3.97Å; L552-L590 HydrophobicContact CD1-CD1 3.88Å; L552-L590 HydrophobicContact CG-CD1 4.25Å; M570-L590 HydrophobicContact CG-CD2 3.85Å; M570-L590 HydrophobicContact SD-CD2 4.26Å; L590-M592 HydrophobicContact CD2-CE 4.07Å; L590-M592 HydrophobicContact CG-CE 4.11Å
591V97.5Very high87Confident0 Ų036.7 Ų36.70%016%0.163CC..EExtended strand (participates in β ladder)trans-122.7125.3176.9-178.30000109.2F480 F482 T494 V549 L550 L551 L552 V589F480-V591 HydrophobicContact CD2-CG2 4.34Å; F482-V591 HydrophobicContact CD1-CG1 4.25Å; F482-V591 HydrophobicContact CD2-CG1 3.58Å; F482-V591 HydrophobicContact CE1-CG1 4.16Å; F482-V591 HydrophobicContact CE2-CG1 3.51Å; F482-V591 HydrophobicContact CG-CG1 3.96Å; F482-V591 HydrophobicContact CZ-CG1 3.81Å; F482-V591 HydrophobicContact CZ-CG2 4.32Å; T494-V591 HydrophobicContact CG2-CB 4.09Å; T494-V591 HydrophobicContact CG2-CG1 4.33Å; T494-V591 HydrophobicContact CG2-CG2 4.06Å; V549-V591 HydrophobicContact CG1-CG2 4.16Å; L550-V591 PolarHBondContact O-N 2.85Å; L551-V591 CarbonylContact C-O 3.56Å; L551-V591 WeakPolarHBondContact CA-O 3.3Å; L551-V591 HydrophobicContact CD1-CB 4.27Å; L551-V591 HydrophobicContact CD1-CG1 3.98Å; L552-V591 PolarHBondContact N-O 3.16Å; V589-V591 HydrophobicContact CG1-CG2 4.12Å
592M97.6Very high86.4Confident0 Ų034.2 Ų34.20%016%0.157CC..EExtended strand (participates in β ladder)trans-112.5138.2171.8-70.1156.1-73.600109F480 L481 F482 L552 I555 L566 L590 F629 L633F480-M592 PolarHBondContact O-N 2.72Å; L481-M592 CarbonylContact C-O 3.59Å; L481-M592 WeakPolarHBondContact CA-O 3.35Å; L481-M592 HydrophobicContact CD1-CB 3.81Å; F482-M592 PolarHBondContact N-O 3.47Å; L552-M592 HydrophobicContact CB-CG 3.95Å; L552-M592 HydrophobicContact CD1-CG 3.98Å; L552-M592 HydrophobicContact CG-CG 4.35Å; L552-M592 CarbonylContact O-C 3.24Å; L552-M592 VanDerWaalsContact O-CA 3.32Å; L552-M592 WeakPolarHBondContact O-CA 3.48Å; I555-M592 HydrophobicContact CB-CB 4.22Å; I555-M592 HydrophobicContact CB-CG 4.43Å; I555-M592 HydrophobicContact CG1-CG 4.24Å; I555-M592 HydrophobicContact CG1-SD 4.35Å; I555-M592 HydrophobicContact CG2-CB 4.06Å; L566-M592 HydrophobicContact CD1-SD 3.86Å; L590-M592 HydrophobicContact CD2-CE 4.07Å; L590-M592 HydrophobicContact CG-CE 4.11Å; M592-F629 HydrophobicContact CE-CE1 4.46Å; M592-F629 HydrophobicContact CE-CZ 4.34Å; M592-F629 HydrophobicContact SD-CE1 3.98Å; M592-F629 HydrophobicContact SD-CZ 3.56Å; M592-F629 VanDerWaalsContact SD-CZ 3.56Å; M592-L633 HydrophobicContact CE-CD2 3.34Å
593T95.7Very high85.3Confident1 Ų136 Ų361%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-109.2147.3173.276.10000110.2F482 K490 L551 L552 D553 E554 I555F482-T593 HydrophobicContact CB-CG2 4.47Å; F482-T593 CarbonylContact O-C 3.43Å; F482-T593 WeakPolarHBondContact O-CA 3.48Å; K490-T593 HydrophobicContact CB-CG2 4.04Å; L551-T593 HydrophobicContact CD1-CG2 3.64Å; L552-T593 PolarHBondContact O-N 2.89Å; D553-T593 WeakPolarHBondContact CA-OG1 3.39Å; D553-T593 PolarHBondContact OD1-OG1 2.92Å; E554-T593 WeakPolarHBondContact CA-O 3.12Å; E554-T593 PolarHBondContact N-O 2.95Å; E554-T593 VanDerWaalsContact N-O 3.17Å; E554-T593 PolarHBondContact N-OG1 3.03Å; I555-T593 WeakPolarHBondContact CG2-O 3.38Å; I555-T593 PolarHBondContact N-O 2.96Å
594T94.2Very high83.6Confident0 Ų044.9 Ų44.90%020%0.198CC..EExtended strand (participates in β ladder)trans-143.3147.2173-173.10000111.9L481 F482 A483 G484 K490 E556 A596 F625L481-T594 HydrophobicContact CD1-CG2 3.83Å; L481-T594 HydrophobicContact CD2-CG2 4.36Å; L481-T594 HydrophobicContact CG-CG2 4.09Å; F482-T594 PolarHBondContact O-N 3.23Å; A483-T594 HydrophobicContact CB-CG2 3.72Å; G484-T594 PolarHBondContact N-O 2.67Å; K490-T594 PolarHBondContact NZ-O 2.65Å; E556-T594 WeakPolarHBondContact OE2-CA 3.46Å; E556-T594 WeakPolarHBondContact OE2-CB 3.39Å; E556-T594 PolarHBondContact OE2-OG1 3.27Å; T594-A596 HydrophobicContact CG2-CB 4.35Å; T594-A596 VanDerWaalsContact OG1-CB 3.31Å; T594-A596 WeakPolarHBondContact OG1-CB 3.47Å; T594-A596 PolarHBondContact OG1-N 2.86Å; T594-A596 VanDerWaalsContact OG1-N 3.14Å; T594-F625 HydrophobicContact CG2-CE2 4.15Å; T594-F625 HydrophobicContact CG2-CZ 4.27Å
595N90.1Very high81.7Confident43 Ų4345.7 Ų45.723%0.2321%0.206CC..  trans-101.611.5169.4-55.1-53.8000112G484 K490 E554 E556 V598G484-N595 PolarHBondContact O-OD1 3.14Å; K490-N595 PolarHBondContact NZ-OD1 3.34Å; E554-N595 PolarHBondContact OE1-ND2 3.46Å; E556-N595 PolarHBondContact OE1-N 3.06Å; N595-V598 WeakPolarHBondContact O-CG2 3.16Å
596A85.7Confident79.5Confident9 Ų954.4 Ų54.47%0.07425%0.251CS..THydrogen-bonded Turntrans-61143.7175.500000112.2T594 V598 I621 I624T594-A596 HydrophobicContact CG2-CB 4.35Å; T594-A596 VanDerWaalsContact OG1-CB 3.31Å; T594-A596 WeakPolarHBondContact OG1-CB 3.47Å; T594-A596 PolarHBondContact OG1-N 2.86Å; T594-A596 VanDerWaalsContact OG1-N 3.14Å; A596-V598 VanDerWaalsContact C-N 3.28Å; A596-V598 PolarHBondContact O-N 3.02Å; A596-I621 HydrophobicContact CB-CG1 4.39Å; A596-I624 HydrophobicContact CB-CD1 3.55Å
597G80Confident77.5Confident3 Ų354 Ų543%0.03127%0.266CS..THydrogen-bonded Turntrans81.6-6.3178.200000115.5E600 T601G597-E600 WeakPolarHBondContact CA-OE2 3.43Å; G597-E600 PolarHBondContact O-N 3.49Å; G597-T601 PolarHBondContact O-N 3.49Å
598V79.6Confident75.8Confident18 Ų1860.2 Ų60.211%0.10930%0.298CS..Hα-helixtrans-67.7-40.1-176.7177.90000111.6G484 P485 N595 A596 E600 T601 E602G484-V598 VanDerWaalsContact O-CG2 3.26Å; G484-V598 WeakPolarHBondContact O-CG2 3.39Å; P485-V598 HydrophobicContact CB-CG1 4.08Å; P485-V598 HydrophobicContact CB-CG2 4.42Å; P485-V598 HydrophobicContact CG-CG1 4.16Å; P485-V598 HydrophobicContact CG-CG2 4.39Å; N595-V598 WeakPolarHBondContact O-CG2 3.16Å; A596-V598 VanDerWaalsContact C-N 3.28Å; A596-V598 PolarHBondContact O-N 3.02Å; V598-E600 PolarHBondContact O-N 3.39Å; V598-T601 PolarHBondContact O-N 3.29Å; V598-T601 VanDerWaalsContact O-N 3.15Å; V598-T601 PolarHBondContact O-OG1 3.14Å; V598-E602 PolarHBondContact O-N 3.39Å; V598-E602 VanDerWaalsContact O-N 3.15Å
599R75.5Confident73.7Confident199 Ų19966 Ų6675%0.75133%0.328SS*.Hα-helixtrans-62.7-34.4-179.7-71-176.9175.8179.9-0.2112.1E602 R603R599-E602 PolarHBondContact O-N 2.9Å; R599-R603 PolarHBondContact O-N 2.88Å
600E73.6Confident71.6Confident37 Ų3774.8 Ų74.817%0.17337%0.368CS..Hα-helixtrans-68.8-39.3178.8-67.261.6-138.500110.2G597 V598 E602 R603 D616G597-E600 WeakPolarHBondContact CA-OE2 3.43Å; G597-E600 PolarHBondContact O-N 3.49Å; V598-E600 PolarHBondContact O-N 3.39Å; E600-E602 VanDerWaalsContact C-N 3.28Å; E600-E602 PolarHBondContact O-N 3.21Å; E600-R603 PolarHBondContact O-N 3.21Å; E600-D616 HydrophobicContact CB-CB 4.04Å
601T69.1Low69.4Low33 Ų3381.4 Ų81.420%0.20240%0.399CS..Hα-helixtrans-67.4-26.2172.963.30000113.8G597 V598 A617 W638G597-T601 PolarHBondContact O-N 3.49Å; V598-T601 PolarHBondContact O-N 3.29Å; V598-T601 VanDerWaalsContact O-N 3.15Å; V598-T601 PolarHBondContact O-OG1 3.14Å; T601-A617 HydrophobicContact CG2-CB 3.68Å; T601-W638 HydrophobicContact CG2-CH2 4.12Å; T601-W638 HydrophobicContact CG2-CZ2 3.76Å
602E65.7Low67.3Low76 Ų7687.4 Ų87.436%0.35543%0.431SS..Hα-helixtrans-83.9-19-179.8-72.4-176.2163.300114.3V598 R599 E600 K604V598-E602 PolarHBondContact O-N 3.39Å; V598-E602 VanDerWaalsContact O-N 3.15Å; R599-E602 PolarHBondContact O-N 2.9Å; E600-E602 VanDerWaalsContact C-N 3.28Å; E600-E602 PolarHBondContact O-N 3.21Å; E602-K604 PolarHBondContact O-N 3.17Å
603R61.3Low65.4Low182 Ų18288.9 Ų88.969%0.68744%0.439SS*.  trans-62.6103.3178.6-77.5-175.3-178.6176.33.8109.7R599 E600 S605 N613R599-R603 PolarHBondContact O-N 2.88Å; E600-R603 PolarHBondContact O-N 3.21Å; R603-S605 PolarHBondContact O-N 3.07Å; R603-S605 VanDerWaalsContact O-N 3.13Å; R603-N613 PolarHBondContact O-ND2 2.77Å
604K51.9Low63.7Low188 Ų18891.9 Ų91.982%0.81746%0.46SS*.  trans-56.6117.8167.8-71.8-176.9178.9179.20107.6E602 I606E602-K604 PolarHBondContact O-N 3.17Å; K604-I606 PolarHBondContact O-N 3.4Å; K604-I606 VanDerWaalsContact O-N 3.12Å
605S48.2Very low62.1Low46 Ų4696.3 Ų96.332%0.32249%0.488SS..  trans-50.6121.7168.735.80000108.2R603 G607 I609R603-S605 PolarHBondContact O-N 3.07Å; R603-S605 VanDerWaalsContact O-N 3.13Å; S605-G607 PolarHBondContact O-N 3.5Å; S605-I609 PolarHBondContact OG-O 3.23Å
606I46.3Very low61.1Low184 Ų18497.7 Ų97.794%0.94450%0.495SS*.SBendtrans-72.679.8170.1-60.4175.4000105.5K604K604-I606 PolarHBondContact O-N 3.4Å; K604-I606 VanDerWaalsContact O-N 3.12Å
607G46.6Very low60.7Low54 Ų5497.3 Ų97.356%0.55749%0.492SS*.SBendtrans162155.4-176.800000113.6S605 I609S605-G607 PolarHBondContact O-N 3.5Å; G607-I609 PolarHBondContact O-N 3.4Å
608L50.9Low60.7Low188 Ų188100.5 Ų100.598%0.98451%0.507SS*.SBendtrans-68.87.7-178.5-87149000115.1
609I47.7Very low60.8Low121 Ų121104.9 Ų104.962%0.62153%0.526SS*.  trans-111.4112.4-178.8-52176.7000107.8S605 G607 Q611S605-I609 PolarHBondContact OG-O 3.23Å; G607-I609 PolarHBondContact O-N 3.4Å; I609-Q611 HydrophobicContact CG2-CG 4.19Å; I609-Q611 PolarHBondContact O-N 2.79Å
610H50.1Low61.2Low188 Ų18897.7 Ų97.787%0.8750%0.501SS*.  trans-6597.3164.5-76.4-60.6000107.7
611Q49.6Very low61.8Low140 Ų14096 Ų9665%0.65449%0.493SS*.  trans-83.1141.4167.9-76.5-175.2-29.400109I609 N613I609-Q611 HydrophobicContact CG2-CG 4.19Å; I609-Q611 PolarHBondContact O-N 2.79Å; Q611-N613 PolarHBondContact O-N 3.24Å; Q611-N613 PolarHBondContact O-OD1 2.93Å
612D54.3Low62.6Low125 Ų12599.3 Ų99.367%0.66850%0.504SS*.  trans-73.390.4176-166.4-13.7000108.2S614 T615D612-S614 VanDerWaalsContact CG-OG 3.28Å; D612-S614 PolarHBondContact O-N 2.86Å; D612-S614 VanDerWaalsContact OD1-CB 3.31Å; D612-S614 WeakPolarHBondContact OD1-CB 3.31Å; D612-S614 PolarHBondContact OD1-N 3.29Å; D612-S614 PolarHBondContact OD1-OG 3.01Å; D612-T615 PolarHBondContact O-OG1 3.03Å
613N57.9Low63.6Low31 Ų31102.6 Ų102.617%0.16652%0.518CS..THydrogen-bonded Turntrans-68.85.3-176.9-66-9.2000113.4R603 Q611 T615 D616 A617R603-N613 PolarHBondContact O-ND2 2.77Å; Q611-N613 PolarHBondContact O-N 3.24Å; Q611-N613 PolarHBondContact O-OD1 2.93Å; N613-T615 PolarHBondContact O-N 2.65Å; N613-D616 PolarHBondContact O-N 2.94Å; N613-A617 PolarHBondContact O-N 2.83Å
614S59.6Low64.9Low64 Ų6496.8 Ų96.845%0.44850%0.5SS..Hα-helixtrans-62-30.8177.258.50000112.7D612 D616 M618D612-S614 VanDerWaalsContact CG-OG 3.28Å; D612-S614 PolarHBondContact O-N 2.86Å; D612-S614 VanDerWaalsContact OD1-CB 3.31Å; D612-S614 WeakPolarHBondContact OD1-CB 3.31Å; D612-S614 PolarHBondContact OD1-N 3.29Å; D612-S614 PolarHBondContact OD1-OG 3.01Å; S614-D616 VanDerWaalsContact C-N 3.33Å; S614-D616 PolarHBondContact O-N 2.81Å; S614-M618 PolarHBondContact O-N 3.5Å
615T60.8Low66.8Low94 Ų9487.9 Ų87.958%0.57746%0.461SS*.Hα-helixtrans-61.8-40.2173.740.30000112.3D612 N613 M618 E619D612-T615 PolarHBondContact O-OG1 3.03Å; N613-T615 PolarHBondContact O-N 2.65Å; T615-M618 PolarHBondContact O-N 3.06Å; T615-E619 PolarHBondContact O-N 2.83Å; T615-E619 VanDerWaalsContact O-N 3.14Å
616D69.7Low68.9Low72 Ų7289.2 Ų89.239%0.38547%0.467SS..Hα-helixtrans-71-38.1-176.4-663.1000111.4E600 N613 S614 M618 E619 E620E600-D616 HydrophobicContact CB-CB 4.04Å; N613-D616 PolarHBondContact O-N 2.94Å; S614-D616 VanDerWaalsContact C-N 3.33Å; S614-D616 PolarHBondContact O-N 2.81Å; D616-M618 VanDerWaalsContact C-N 3.31Å; D616-M618 PolarHBondContact O-N 2.91Å; D616-E619 WeakPolarHBondContact O-CB 3.17Å; D616-E619 PolarHBondContact O-N 3.01Å; D616-E619 VanDerWaalsContact O-N 3.17Å; D616-E620 PolarHBondContact O-N 2.85Å; D616-E620 VanDerWaalsContact O-N 3.15Å
617A75.9Confident71Confident1 Ų184.1 Ų84.11%0.00845%0.446CS..Hα-helixtrans-61-41.6176.100000112.2T601 N613 E619 E620 I621 W638T601-A617 HydrophobicContact CG2-CB 3.68Å; N613-A617 PolarHBondContact O-N 2.83Å; A617-E619 VanDerWaalsContact C-N 3.33Å; A617-E620 PolarHBondContact O-N 3.32Å; A617-I621 WeakPolarHBondContact O-CG1 3.48Å; A617-I621 PolarHBondContact O-N 3.43Å; A617-I621 VanDerWaalsContact O-N 3.15Å; A617-W638 HydrophobicContact CB-CH2 3.57Å; A617-W638 HydrophobicContact CB-CZ2 4.21Å; A617-W638 HydrophobicContact CB-CZ3 3.86Å
618M79.7Confident73.1Confident69 Ų6987 Ų8734%0.3445%0.445SS..Hα-helixtrans-69.6-30.9177-172.663.970.300111.9S614 T615 D616 I621 K622S614-M618 PolarHBondContact O-N 3.5Å; T615-M618 PolarHBondContact O-N 3.06Å; D616-M618 VanDerWaalsContact C-N 3.31Å; D616-M618 PolarHBondContact O-N 2.91Å; M618-I621 HydrophobicContact SD-CG2 4.44Å; M618-K622 HydrophobicContact CG-CD 4.5Å; M618-K622 WeakPolarHBondContact O-CB 3.47Å; M618-K622 WeakPolarHBondContact O-CG 3.34Å; M618-K622 PolarHBondContact O-N 2.95Å
619E82.3Confident75.2Confident111 Ų11178.1 Ų78.152%0.51940%0.398SS..Hα-helixtrans-63.7-40.6171.9-73.1-163.8165.100112.4T615 D616 A617 K622 K623T615-E619 PolarHBondContact O-N 2.83Å; T615-E619 VanDerWaalsContact O-N 3.14Å; D616-E619 WeakPolarHBondContact O-CB 3.17Å; D616-E619 PolarHBondContact O-N 3.01Å; D616-E619 VanDerWaalsContact O-N 3.17Å; A617-E619 VanDerWaalsContact C-N 3.33Å; E619-K622 WeakPolarHBondContact O-CB 3.48Å; E619-K622 PolarHBondContact O-N 3.44Å; E619-K623 WeakPolarHBondContact O-CG 3.47Å; E619-K623 PolarHBondContact O-N 2.8Å; E619-K623 VanDerWaalsContact O-N 3.1Å
620E84Confident77.3Confident48 Ų4874.9 Ų74.922%0.22438%0.378CS..Hα-helixtrans-67.2-41.8177.8-165.560.2-161.300111.7D616 A617 K622 K623 I624D616-E620 PolarHBondContact O-N 2.85Å; D616-E620 VanDerWaalsContact O-N 3.15Å; A617-E620 PolarHBondContact O-N 3.32Å; E620-K622 VanDerWaalsContact C-N 3.27Å; E620-K622 PolarHBondContact O-N 3.49Å; E620-K623 WeakPolarHBondContact O-CB 3.35Å; E620-K623 PolarHBondContact O-N 3.29Å; E620-K623 VanDerWaalsContact O-N 3.09Å; E620-K623 WeakPolarHBondContact OE2-CD 3.38Å; E620-K623 IonicContact OE2-NZ 2.91Å; E620-K623 PolarHBondContact OE2-NZ 2.89Å; E620-I624 PolarHBondContact O-N 3.45Å
621I86.7Confident79.3Confident0 Ų072 Ų720%037%0.369CS..Hα-helixtrans-56.7-43.1170.3-69.6167.1000110.4L481 A483 A596 A617 M618 K623 I624 F625 I636 W638L481-I621 HydrophobicContact CD2-CG2 4.27Å; A483-I621 HydrophobicContact CB-CD1 3.65Å; A596-I621 HydrophobicContact CB-CG1 4.39Å; A617-I621 WeakPolarHBondContact O-CG1 3.48Å; A617-I621 PolarHBondContact O-N 3.43Å; A617-I621 VanDerWaalsContact O-N 3.15Å; M618-I621 HydrophobicContact SD-CG2 4.44Å; I621-K623 PolarHBondContact O-N 3.22Å; I621-I624 PolarHBondContact O-N 3.46Å; I621-F625 HydrophobicContact CG2-CD2 3.83Å; I621-F625 HydrophobicContact CG2-CE2 4.49Å; I621-F625 WeakPolarHBondContact O-CB 3.44Å; I621-F625 WeakPolarHBondContact O-CD2 3.34Å; I621-F625 PolarHBondContact O-N 3.04Å; I621-I636 HydrophobicContact CG2-CD1 4.39Å; I621-W638 HydrophobicContact CD1-CE3 4.18Å; I621-W638 HydrophobicContact CD1-CZ3 3.9Å
622K85.5Confident81.3Confident103 Ų10369.4 Ų69.445%0.44835%0.354SS..Hα-helixtrans-64.6-25.4178.6-74.4166.4-179.4170.30113.6M618 E619 E620M618-K622 HydrophobicContact CG-CD 4.5Å; M618-K622 WeakPolarHBondContact O-CB 3.47Å; M618-K622 WeakPolarHBondContact O-CG 3.34Å; M618-K622 PolarHBondContact O-N 2.95Å; E619-K622 WeakPolarHBondContact O-CB 3.48Å; E619-K622 PolarHBondContact O-N 3.44Å; E620-K622 VanDerWaalsContact C-N 3.27Å; E620-K622 PolarHBondContact O-N 3.49Å
623K86.8Confident83.2Confident145 Ų14564.4 Ų64.463%0.6333%0.327SS*.Hα-helixtrans-77.1-44.5175.9-69.3178.4-157151.40111.9E619 E620 I621E619-K623 WeakPolarHBondContact O-CG 3.47Å; E619-K623 PolarHBondContact O-N 2.8Å; E619-K623 VanDerWaalsContact O-N 3.1Å; E620-K623 WeakPolarHBondContact O-CB 3.35Å; E620-K623 PolarHBondContact O-N 3.29Å; E620-K623 VanDerWaalsContact O-N 3.09Å; E620-K623 WeakPolarHBondContact OE2-CD 3.38Å; E620-K623 IonicContact OE2-NZ 2.91Å; E620-K623 PolarHBondContact OE2-NZ 2.89Å; I621-K623 PolarHBondContact O-N 3.22Å
624I88Confident84.7Confident61 Ų6167 Ų6731%0.31334%0.341SS..Hα-helixtrans-73.5-46-178.5-62.8174.2000110.4E556 A596 E620 I621E556-I624 HydrophobicContact CB-CD1 4.33Å; E556-I624 HydrophobicContact CB-CG2 4.07Å; A596-I624 HydrophobicContact CB-CD1 3.55Å; E620-I624 PolarHBondContact O-N 3.45Å; I621-I624 PolarHBondContact O-N 3.46Å
625F92.6Very high86.1Confident1 Ų167.4 Ų67.40%0.00434%0.338CS..SBendtrans-101111.1-177.2-56-83.9000110.2L481 I555 F563 T594 I621 F629 R630L481-F625 HydrophobicContact CD1-CE1 4.14Å; L481-F625 HydrophobicContact CD1-CE2 4.47Å; L481-F625 HydrophobicContact CD1-CZ 3.91Å; L481-F625 HydrophobicContact CD2-CD1 4.35Å; L481-F625 HydrophobicContact CD2-CD2 3.9Å; L481-F625 HydrophobicContact CD2-CE1 4.25Å; L481-F625 HydrophobicContact CD2-CE2 3.82Å; L481-F625 HydrophobicContact CD2-CG 4.17Å; L481-F625 HydrophobicContact CD2-CZ 4.01Å; I555-F625 HydrophobicContact CG1-CE1 4.47Å; I555-F625 HydrophobicContact CG2-CE1 3.53Å; I555-F625 HydrophobicContact CG2-CZ 3.49Å; I555-F625 VanDerWaalsContact CG2-CZ 3.49Å; F563-F625 AromaticContact CE1-CD1 3.82Å; F563-F625 HydrophobicContact CE1-CD1 3.82Å; F563-F625 AromaticContact CE1-CE1 3.76Å; F563-F625 HydrophobicContact CE1-CE1 3.76Å; F563-F625 HydrophobicContact CZ-CE1 4.42Å; T594-F625 HydrophobicContact CG2-CE2 4.15Å; T594-F625 HydrophobicContact CG2-CZ 4.27Å; I621-F625 HydrophobicContact CG2-CD2 3.83Å; I621-F625 HydrophobicContact CG2-CE2 4.49Å; I621-F625 WeakPolarHBondContact O-CB 3.44Å; I621-F625 WeakPolarHBondContact O-CD2 3.34Å; I621-F625 PolarHBondContact O-N 3.04Å; F625-F629 HydrophobicContact CB-CD1 4.31Å; F625-F629 AromaticContact CD1-CD1 3.76Å; F625-F629 HydrophobicContact CD1-CD1 3.76Å; F625-F629 AromaticContact CD1-CE1 3.82Å; F625-F629 HydrophobicContact CD1-CE1 3.82Å; F625-F629 HydrophobicContact CE1-CE1 4.29Å; F625-F629 HydrophobicContact CG-CD1 4.47Å; F625-R630 HydrophobicContact CB-CG 3.76Å; F625-R630 WeakPolarHBondContact O-CD 3.46Å; F625-R630 PolarHBondContact O-NE 2.82Å
626T91.1Very high87.6Confident73 Ų7364.8 Ų64.845%0.44832%0.32SS..  trans-56.3154.8-179.265.50000111.6E628 F629 R630T626-E628 PolarHBondContact O-N 2.95Å; T626-F629 PolarHBondContact O-N 3.17Å; T626-F629 VanDerWaalsContact O-N 3.14Å; T626-F629 PolarHBondContact OG1-N 3.38Å; T626-R630 PolarHBondContact O-N 2.97Å
627P90.4Very high88.6Confident77 Ų7761.7 Ų61.750%0.530%0.303SS..Hα-helixtrans-53.4-37.4174.5-24.132.4000112.9R630 N631P627-R630 PolarHBondContact O-N 3.48Å; P627-N631 WeakPolarHBondContact O-CB 3.49Å; P627-N631 PolarHBondContact O-N 2.86Å; P627-N631 PolarHBondContact O-ND2 2.97Å; P627-N631 PolarHBondContact O-OD1 3.42Å
628E92.2Very high89.3Confident114 Ų11465.1 Ų65.153%0.53332%0.316SS..Hα-helixtrans-60.3-50.8176.5-177.1174-166.900111.7L567 T626 R630 N631 R632L567-E628 HydrophobicContact CD1-CG 4.42Å; L567-E628 HydrophobicContact CD2-CG 4.2Å; T626-E628 PolarHBondContact O-N 2.95Å; E628-R630 PolarHBondContact O-N 2.96Å; E628-N631 PolarHBondContact O-N 3.16Å; E628-R632 WeakPolarHBondContact O-CG 3.4Å
629F94Very high89.9Confident2 Ų261.9 Ų61.91%0.00930%0.3CS..Hα-helixtrans-61.9-45.8178.8-167.7-93.4000112.1F563 L566 L567 M570 M592 F625 T626 N631 R632 L633F563-F629 HydrophobicContact CB-CD2 4.24Å; F563-F629 HydrophobicContact CB-CE2 4.22Å; F563-F629 AromaticContact CD1-CD2 3.86Å; F563-F629 HydrophobicContact CD1-CD2 3.86Å; F563-F629 HydrophobicContact CD1-CE1 4.39Å; F563-F629 AromaticContact CD1-CE2 3.68Å; F563-F629 HydrophobicContact CD1-CE2 3.68Å; F563-F629 HydrophobicContact CD1-CG 4.29Å; F563-F629 AromaticContact CD1-CZ 3.94Å; F563-F629 HydrophobicContact CD1-CZ 3.94Å; F563-F629 HydrophobicContact CE1-CZ 4.45Å; F563-F629 HydrophobicContact CG-CE2 4.4Å; L566-F629 HydrophobicContact CB-CE2 3.93Å; L566-F629 HydrophobicContact CB-CZ 4.44Å; L566-F629 HydrophobicContact CD1-CE2 4.24Å; L566-F629 HydrophobicContact CD1-CZ 4.11Å; L567-F629 HydrophobicContact CD2-CD2 4.09Å; L567-F629 HydrophobicContact CG-CD2 4.17Å; M570-F629 HydrophobicContact CE-CD2 3.9Å; M570-F629 HydrophobicContact CE-CE2 3.62Å; M570-F629 HydrophobicContact CE-CZ 4.03Å; M592-F629 HydrophobicContact CE-CE1 4.46Å; M592-F629 HydrophobicContact CE-CZ 4.34Å; M592-F629 HydrophobicContact SD-CE1 3.98Å; M592-F629 HydrophobicContact SD-CZ 3.56Å; M592-F629 VanDerWaalsContact SD-CZ 3.56Å; F625-F629 HydrophobicContact CB-CD1 4.31Å; F625-F629 AromaticContact CD1-CD1 3.76Å; F625-F629 HydrophobicContact CD1-CD1 3.76Å; F625-F629 AromaticContact CD1-CE1 3.82Å; F625-F629 HydrophobicContact CD1-CE1 3.82Å; F625-F629 HydrophobicContact CE1-CE1 4.29Å; F625-F629 HydrophobicContact CG-CD1 4.47Å; T626-F629 PolarHBondContact O-N 3.17Å; T626-F629 VanDerWaalsContact O-N 3.14Å; T626-F629 PolarHBondContact OG1-N 3.38Å; F629-N631 VanDerWaalsContact C-N 3.33Å; F629-N631 PolarHBondContact O-N 3.29Å; F629-R632 PolarHBondContact O-N 3.08Å; F629-R632 VanDerWaalsContact O-N 3.09Å; F629-L633 HydrophobicContact CD1-CD1 4.49Å; F629-L633 HydrophobicContact CE1-CD2 4.24Å
630R93.1Very high90.1Very high54 Ų5460.5 Ų60.520%0.20430%0.296CS..Hα-helixtrans-63.5-36.5-179.8-70.7-175.5-70.7108.1-3.3113.1F625 T626 P627 E628 R632 L633 I636F625-R630 HydrophobicContact CB-CG 3.76Å; F625-R630 WeakPolarHBondContact O-CD 3.46Å; F625-R630 PolarHBondContact O-NE 2.82Å; T626-R630 PolarHBondContact O-N 2.97Å; P627-R630 PolarHBondContact O-N 3.48Å; E628-R630 PolarHBondContact O-N 2.96Å; R630-R632 PolarHBondContact O-N 3.13Å; R630-L633 WeakPolarHBondContact O-CB 3.39Å; R630-L633 PolarHBondContact O-N 2.86Å; R630-I636 HydrophobicContact CG-CD1 4.14Å
631N91.4Very high90.2Very high127 Ų12760.7 Ų60.768%0.67930%0.297SS*.THydrogen-bonded Turntrans-68.3-12.5177.2-71.5-14.8000113.4P627 E628 F629P627-N631 WeakPolarHBondContact O-CB 3.49Å; P627-N631 PolarHBondContact O-N 2.86Å; P627-N631 PolarHBondContact O-ND2 2.97Å; P627-N631 PolarHBondContact O-OD1 3.42Å; E628-N631 PolarHBondContact O-N 3.16Å; F629-N631 VanDerWaalsContact C-N 3.33Å; F629-N631 PolarHBondContact O-N 3.29Å
632R92Very high90.2Very high86 Ų8661.3 Ų61.333%0.32530%0.3SS..THydrogen-bonded Turntrans-92.8-14.9174.4-56.5-44.1-178.3142.86.6113.6L567 M570 D571 E628 F629 R630L567-R632 HydrophobicContact CD2-CG 3.71Å; M570-R632 HydrophobicContact CB-CB 4.01Å; M570-R632 HydrophobicContact CE-CB 3.66Å; M570-R632 HydrophobicContact CE-CG 4.37Å; M570-R632 HydrophobicContact SD-CB 3.84Å; D571-R632 WeakPolarHBondContact OD1-CD 3.36Å; D571-R632 IonicContact OD1-CZ 2.95Å; D571-R632 IonicContact OD1-NE 2.65Å; D571-R632 PolarHBondContact OD1-NE 2.78Å; D571-R632 VanDerWaalsContact OD1-NE 3.16Å; D571-R632 IonicContact OD1-NH1 3.62Å; D571-R632 PolarHBondContact OD1-NH1 2.93Å; D571-R632 IonicContact OD1-NH2 2.76Å; D571-R632 IonicContact OD2-CZ 2.64Å; D571-R632 IonicContact OD2-NE 3.51Å; D571-R632 IonicContact OD2-NH1 2.79Å; D571-R632 PolarHBondContact OD2-NH1 2.92Å; D571-R632 IonicContact OD2-NH2 3.16Å; D571-R632 PolarHBondContact OD2-NH2 3.16Å; E628-R632 WeakPolarHBondContact O-CG 3.4Å; F629-R632 PolarHBondContact O-N 3.08Å; F629-R632 VanDerWaalsContact O-N 3.09Å; R630-R632 PolarHBondContact O-N 3.13Å
633L92.5Very high90.2Very high19 Ų1959.2 Ų59.210%0.09930%0.299CS..  trans-74.8137.7174.7-59.5173.1000109.7L481 M570 M592 F629 R630 N635 I636L481-L633 HydrophobicContact CB-CD1 3.65Å; L481-L633 HydrophobicContact CB-CD2 4.42Å; L481-L633 HydrophobicContact CD2-CD1 4.13Å; M570-L633 HydrophobicContact SD-CD2 4.06Å; M592-L633 HydrophobicContact CE-CD2 3.34Å; F629-L633 HydrophobicContact CD1-CD1 4.49Å; F629-L633 HydrophobicContact CE1-CD2 4.24Å; R630-L633 WeakPolarHBondContact O-CB 3.39Å; R630-L633 PolarHBondContact O-N 2.86Å; L633-N635 VanDerWaalsContact C-N 3.34Å; L633-I636 HydrophobicContact CD1-CD1 4.26Å; L633-I636 HydrophobicContact CD1-CG1 3.76Å
634D89.7Confident90.1Very high86 Ų8657 Ų5746%0.4630%0.297SS..SBendtrans-71.2-35.2170.7-65.9-75.1000110.6G478 S479 F480G478-D634 VanDerWaalsContact CA-OD2 3.29Å; G478-D634 WeakPolarHBondContact CA-OD2 3.29Å; S479-D634 PolarHBondContact N-OD2 3.12Å; S479-D634 PolarHBondContact O-N 3.04Å; F480-D634 HydrophobicContact CE1-CB 4.3Å
635N89.7Confident90Very high72 Ų7259.8 Ų59.839%0.38531%0.313SS..EExtended strand (participates in β ladder)trans-157.6149.7174.5-144.9-24.1000113.4F480 L481 L633 I637F480-N635 WeakPolarHBondContact CA-O 3.41Å; F480-N635 HydrophobicContact CD1-CB 4.11Å; F480-N635 HydrophobicContact CE1-CB 4.47Å; L481-N635 PolarHBondContact N-O 3.15Å; L481-N635 VanDerWaalsContact N-O 3.14Å; L633-N635 VanDerWaalsContact C-N 3.34Å; N635-I637 HydrophobicContact CB-CG1 4.14Å
636I91.9Very high89.7Confident39 Ų3960.5 Ų60.520%0.232%0.317CS..EExtended strand (participates in β ladder)trans-105.1111.4165.7-59.8170.9000106.7L481 I621 R630 L633L481-I636 HydrophobicContact CB-CG1 4.33Å; L481-I636 HydrophobicContact CD2-CG1 4.4Å; L481-I636 HydrophobicContact CD2-CG2 4.33Å; L481-I636 CarbonylContact O-C 3.02Å; L481-I636 WeakPolarHBondContact O-CA 3.49Å; I621-I636 HydrophobicContact CG2-CD1 4.39Å; R630-I636 HydrophobicContact CG-CD1 4.14Å; L633-I636 HydrophobicContact CD1-CD1 4.26Å; L633-I636 HydrophobicContact CD1-CG1 3.76Å
637I92Very high89.6Confident8 Ų857.2 Ų57.24%0.04130%0.297CS..EExtended strand (participates in β ladder)trans-103.5115.6-173.5-54.3-170.7000108.9A455 A458 L459 F480 L481 F482 A483 N635 F639A455-I637 HydrophobicContact CB-CG2 3.27Å; A458-I637 HydrophobicContact CB-CD1 3.99Å; A458-I637 HydrophobicContact CB-CG1 4.45Å; L459-I637 HydrophobicContact CB-CD1 4.23Å; F480-I637 HydrophobicContact CD1-CD1 4.13Å; L481-I637 PolarHBondContact O-N 3.35Å; F482-I637 CarbonylContact C-O 3.52Å; F482-I637 WeakPolarHBondContact CA-O 3.42Å; F482-I637 HydrophobicContact CD1-CB 3.93Å; F482-I637 HydrophobicContact CD1-CD1 4.28Å; F482-I637 HydrophobicContact CD1-CG1 4.33Å; F482-I637 HydrophobicContact CE1-CB 4.27Å; F482-I637 HydrophobicContact CE1-CD1 3.74Å; F482-I637 HydrophobicContact CE1-CG1 4.28Å; A483-I637 PolarHBondContact N-O 2.86Å; N635-I637 HydrophobicContact CB-CG1 4.14Å; I637-F639 HydrophobicContact CB-CE2 4.46Å; I637-F639 HydrophobicContact CG2-CD2 4.31Å; I637-F639 HydrophobicContact CG2-CE2 3.92Å
638W90.6Very high89.5Confident73 Ų7355.5 Ų55.528%0.27728%0.282SS..EExtended strand (participates in β ladder)trans-84.7134.5176-171.1-95.5000111A483 T601 A617 I621 D640A483-W638 HydrophobicContact CB-CE3 3.67Å; A483-W638 HydrophobicContact CB-CZ3 3.89Å; A483-W638 CarbonylContact O-C 3.51Å; A483-W638 WeakPolarHBondContact O-CA 3.47Å; T601-W638 HydrophobicContact CG2-CH2 4.12Å; T601-W638 HydrophobicContact CG2-CZ2 3.76Å; A617-W638 HydrophobicContact CB-CH2 3.57Å; A617-W638 HydrophobicContact CB-CZ2 4.21Å; A617-W638 HydrophobicContact CB-CZ3 3.86Å; I621-W638 HydrophobicContact CD1-CE3 4.18Å; I621-W638 HydrophobicContact CD1-CZ3 3.9Å; W638-D640 VanDerWaalsContact CD1-OD1 3.3Å; W638-D640 PolarHBondContact NE1-OD1 3.47Å
639F91.4Very high89.3Confident1 Ų154.4 Ų54.40%0.00428%0.277CS..  trans-108121175.4-78.7-113.7000109.4Q452 A455 F482 A483 P485 V488 K490 V493 I637Q452-F639 HydrophobicContact CB-CD1 4.25Å; Q452-F639 HydrophobicContact CB-CE1 4.22Å; Q452-F639 HydrophobicContact CG-CD1 3.72Å; Q452-F639 HydrophobicContact CG-CE1 4.07Å; A455-F639 HydrophobicContact CB-CD2 4.29Å; A455-F639 HydrophobicContact CB-CE1 4.29Å; A455-F639 HydrophobicContact CB-CE2 3.91Å; A455-F639 HydrophobicContact CB-CZ 3.91Å; F482-F639 HydrophobicContact CB-CD2 4.15Å; F482-F639 HydrophobicContact CB-CE2 3.71Å; F482-F639 AromaticContact CD1-CE2 3.96Å; F482-F639 HydrophobicContact CD1-CE2 3.96Å; F482-F639 AromaticContact CD2-CE2 3.7Å; F482-F639 HydrophobicContact CD2-CE2 3.7Å; F482-F639 AromaticContact CD2-CZ 3.75Å; F482-F639 HydrophobicContact CD2-CZ 3.75Å; F482-F639 HydrophobicContact CE2-CE2 4.29Å; F482-F639 HydrophobicContact CE2-CZ 4.04Å; F482-F639 HydrophobicContact CG-CD2 4.42Å; F482-F639 AromaticContact CG-CE2 3.51Å; F482-F639 HydrophobicContact CG-CE2 3.51Å; F482-F639 HydrophobicContact CG-CZ 4.07Å; A483-F639 PolarHBondContact O-N 3.48Å; P485-F639 WeakPolarHBondContact CD-O 3.22Å; V488-F639 HydrophobicContact CG2-CB 3.59Å; V488-F639 HydrophobicContact CG2-CD1 4.17Å; V488-F639 HydrophobicContact CG2-CG 4.26Å; K490-F639 HydrophobicContact CD-CD2 4.43Å; K490-F639 HydrophobicContact CD-CG 4.43Å; K490-F639 HydrophobicContact CG-CB 4.16Å; K490-F639 HydrophobicContact CG-CD1 3.83Å; K490-F639 HydrophobicContact CG-CD2 3.81Å; K490-F639 HydrophobicContact CG-CE1 4.15Å; K490-F639 HydrophobicContact CG-CE2 4.14Å; K490-F639 HydrophobicContact CG-CG 3.66Å; K490-F639 HydrophobicContact CG-CZ 4.3Å; V493-F639 HydrophobicContact CB-CZ 4.44Å; V493-F639 HydrophobicContact CG2-CE1 3.8Å; V493-F639 HydrophobicContact CG2-CZ 4.05Å; I637-F639 HydrophobicContact CB-CE2 4.46Å; I637-F639 HydrophobicContact CG2-CD2 4.31Å; I637-F639 HydrophobicContact CG2-CE2 3.92Å
640D86.1Confident89Confident81 Ų8155.2 Ų55.243%0.43328%0.282SS..PPolyproline II helixtrans-78.9160.9-178.1-68.6-49.2000111.9Q452 W638Q452-D640 PolarHBondContact NE2-O 3.12Å; W638-D640 VanDerWaalsContact CD1-OD1 3.3Å; W638-D640 PolarHBondContact NE1-OD1 3.47Å
641H86.2Confident88.8Confident53 Ų5352.6 Ų52.625%0.24527%0.272CS..PPolyproline II helixtrans-61.2143.5167.1-72.3-80.5000110.4P485 S643 R686P485-H641 WeakPolarHBondContact CG-CE1 3.32Å; P485-H641 WeakPolarHBondContact CG-ND1 3.27Å; P485-H641 WeakPolarHBondContact CG-NE2 3.2Å; H641-S643 PolarHBondContact O-N 2.95Å; H641-R686 PolarHBondContact CE1-O 2.69Å; H641-R686 PolarHBondContact ND1-O 3.17Å
642L86.1Confident88.7Confident13 Ų1349.2 Ų49.27%0.06825%0.254CS..PPolyproline II helixtrans-71.5131.1178.7-53.8178000109.9V488 V646 I647 Y684 A690V488-L642 HydrophobicContact CB-CD2 4.42Å; V488-L642 HydrophobicContact CB-CG 4.5Å; V488-L642 HydrophobicContact CG1-CG 4.49Å; L642-V646 HydrophobicContact CB-CB 4.49Å; L642-V646 HydrophobicContact CB-CG1 4.08Å; L642-V646 HydrophobicContact CD2-CG1 3.82Å; L642-V646 HydrophobicContact CG-CG1 4.37Å; L642-I647 HydrophobicContact CB-CD1 4.48Å; L642-I647 HydrophobicContact CB-CG1 3.99Å; L642-Y684 HydrophobicContact CB-CE2 4.27Å; L642-Y684 PolarHBondContact O-OH 3.47Å; L642-A690 HydrophobicContact CD1-CB 4.09Å
643S86.1Confident88.5Confident59 Ų5946.8 Ų46.841%0.41325%0.246SC..PPolyproline II helixtrans-71.9160.9170.668.80000110.8H641 D645 V646 I647H641-S643 PolarHBondContact O-N 2.95Å; S643-D645 VanDerWaalsContact C-N 3.26Å; S643-D645 PolarHBondContact O-N 2.99Å; S643-V646 WeakPolarHBondContact O-CB 3.36Å; S643-V646 PolarHBondContact O-N 2.83Å; S643-V646 VanDerWaalsContact O-N 3.08Å; S643-V646 VanDerWaalsContact OG-CG2 3.25Å; S643-V646 WeakPolarHBondContact OG-CG2 3.36Å; S643-V646 PolarHBondContact OG-N 3.37Å; S643-I647 WeakPolarHBondContact O-CD1 3.31Å; S643-I647 WeakPolarHBondContact O-CG1 3.33Å; S643-I647 PolarHBondContact O-N 3.2Å
644T84.5Confident88.3Confident98 Ų9848.4 Ų48.460%0.60125%0.252SS*.Hα-helixtrans-54.3-43.3176.6-45.70000112V646 I647 H648T644-V646 VanDerWaalsContact C-N 3.31Å; T644-V646 PolarHBondContact O-N 3.49Å; T644-I647 WeakPolarHBondContact O-CB 3.37Å; T644-I647 PolarHBondContact O-N 3.09Å; T644-I647 VanDerWaalsContact O-N 3.15Å; T644-H648 PolarHBondContact O-CD2 3.14Å; T644-H648 PolarHBondContact O-N 3.47Å; T644-H648 VanDerWaalsContact O-N 3.16Å
645D86.6Confident88.4Confident119 Ų11944.4 Ų44.464%0.63623%0.231SC*.Hα-helixtrans-61.3-40.3178.1-57.1-38.4000112.1S643 I647 H648 Q649S643-D645 VanDerWaalsContact C-N 3.26Å; S643-D645 PolarHBondContact O-N 2.99Å; D645-I647 VanDerWaalsContact C-N 3.34Å; D645-H648 PolarHBondContact O-N 3.29Å; D645-Q649 PolarHBondContact O-N 3.19Å
646V87.2Confident88.3Confident16 Ų1644.7 Ų44.710%0.09724%0.235CC..Hα-helixtrans-67.4-36.4177.3169.90000111.1F450 L642 S643 T644 H648 Q649 V650F450-V646 HydrophobicContact CB-CG1 3.66Å; F450-V646 WeakPolarHBondContact O-CG1 3.37Å; L642-V646 HydrophobicContact CB-CB 4.49Å; L642-V646 HydrophobicContact CB-CG1 4.08Å; L642-V646 HydrophobicContact CD2-CG1 3.82Å; L642-V646 HydrophobicContact CG-CG1 4.37Å; S643-V646 WeakPolarHBondContact O-CB 3.36Å; S643-V646 PolarHBondContact O-N 2.83Å; S643-V646 VanDerWaalsContact O-N 3.08Å; S643-V646 VanDerWaalsContact OG-CG2 3.25Å; S643-V646 WeakPolarHBondContact OG-CG2 3.36Å; S643-V646 PolarHBondContact OG-N 3.37Å; T644-V646 VanDerWaalsContact C-N 3.31Å; T644-V646 PolarHBondContact O-N 3.49Å; V646-H648 VanDerWaalsContact C-N 3.32Å; V646-H648 PolarHBondContact O-N 2.89Å; V646-Q649 WeakPolarHBondContact O-CB 3.15Å; V646-Q649 PolarHBondContact O-N 3.23Å; V646-Q649 VanDerWaalsContact O-N 3.16Å; V646-V650 WeakPolarHBondContact O-CG2 3.31Å; V646-V650 PolarHBondContact O-N 2.7Å
647I87.9Confident88.1Confident4 Ų446.9 Ų46.92%0.02124%0.244CC..Hα-helixtrans-64.7-38177.2-64.5154.6000110.9L642 S643 T644 D645 Q649 V650 V651 A680 Y684 M693L642-I647 HydrophobicContact CB-CD1 4.48Å; L642-I647 HydrophobicContact CB-CG1 3.99Å; S643-I647 WeakPolarHBondContact O-CD1 3.31Å; S643-I647 WeakPolarHBondContact O-CG1 3.33Å; S643-I647 PolarHBondContact O-N 3.2Å; T644-I647 WeakPolarHBondContact O-CB 3.37Å; T644-I647 PolarHBondContact O-N 3.09Å; T644-I647 VanDerWaalsContact O-N 3.15Å; D645-I647 VanDerWaalsContact C-N 3.34Å; I647-Q649 VanDerWaalsContact C-N 3.29Å; I647-Q649 PolarHBondContact O-N 3.09Å; I647-V650 WeakPolarHBondContact O-CB 3.38Å; I647-V650 PolarHBondContact O-N 3.2Å; I647-V650 VanDerWaalsContact O-N 3.12Å; I647-V651 WeakPolarHBondContact O-CG2 3.37Å; I647-V651 PolarHBondContact O-N 3.23Å; I647-A680 HydrophobicContact CG2-CB 3.76Å; I647-Y684 HydrophobicContact CD1-CD1 3.29Å; I647-Y684 HydrophobicContact CD1-CD2 3.45Å; I647-Y684 VanDerWaalsContact CD1-CD2 3.45Å; I647-Y684 HydrophobicContact CD1-CE1 3.54Å; I647-Y684 HydrophobicContact CD1-CE2 3.73Å; I647-Y684 HydrophobicContact CD1-CG 3.21Å; I647-Y684 HydrophobicContact CG1-CD1 4.45Å; I647-Y684 HydrophobicContact CG1-CD2 3.83Å; I647-Y684 HydrophobicContact CG1-CE2 4.26Å; I647-Y684 HydrophobicContact CG1-CG 3.93Å; I647-M693 HydrophobicContact CG2-CE 4Å
648H88.7Confident88Confident42 Ų4246.8 Ų46.819%0.19424%0.244CC..Hα-helixtrans-59.9-40.5173.4-69.4-66.9000112T644 D645 V646 V650 V651 D652 N677T644-H648 PolarHBondContact O-CD2 3.14Å; T644-H648 PolarHBondContact O-N 3.47Å; T644-H648 VanDerWaalsContact O-N 3.16Å; D645-H648 PolarHBondContact O-N 3.29Å; V646-H648 VanDerWaalsContact C-N 3.32Å; V646-H648 PolarHBondContact O-N 2.89Å; H648-V650 VanDerWaalsContact C-N 3.32Å; H648-V650 PolarHBondContact O-N 2.86Å; H648-V651 WeakPolarHBondContact O-CB 3.28Å; H648-V651 PolarHBondContact O-N 2.83Å; H648-D652 PolarHBondContact O-N 2.96Å; H648-N677 PolarHBondContact CE1-OD1 3.46Å; H648-N677 PolarHBondContact ND1-OD1 3.41Å
649Q88.2Confident87.9Confident90 Ų9045.9 Ų45.942%0.42124%0.242SC..Hα-helixtrans-63.7-37.4174.4-62.3175.3-5.300112.1F450 D645 V646 I647 D652 K653F450-Q649 HydrophobicContact CB-CB 4.37Å; F450-Q649 HydrophobicContact CD1-CB 4.2Å; F450-Q649 HydrophobicContact CD2-CB 3.8Å; F450-Q649 HydrophobicContact CE1-CB 4.47Å; F450-Q649 HydrophobicContact CE2-CB 4.1Å; F450-Q649 WeakPolarHBondContact CE2-O 3.4Å; F450-Q649 HydrophobicContact CG-CB 3.86Å; F450-Q649 HydrophobicContact CZ-CB 4.43Å; D645-Q649 PolarHBondContact O-N 3.19Å; V646-Q649 WeakPolarHBondContact O-CB 3.15Å; V646-Q649 PolarHBondContact O-N 3.23Å; V646-Q649 VanDerWaalsContact O-N 3.16Å; I647-Q649 VanDerWaalsContact C-N 3.29Å; I647-Q649 PolarHBondContact O-N 3.09Å; Q649-D652 PolarHBondContact O-N 3.39Å; Q649-K653 PolarHBondContact O-N 3.47Å
650V87.3Confident87.7Confident19 Ų1949.6 Ų49.612%0.11527%0.265CS..Hα-helixtrans-62.9-43.9173.7176.40000110.9F450 V646 I647 H648 D652 K653 F654 A690 M693F450-V650 HydrophobicContact CD2-CG2 3.94Å; V646-V650 WeakPolarHBondContact O-CG2 3.31Å; V646-V650 PolarHBondContact O-N 2.7Å; I647-V650 WeakPolarHBondContact O-CB 3.38Å; I647-V650 PolarHBondContact O-N 3.2Å; I647-V650 VanDerWaalsContact O-N 3.12Å; H648-V650 VanDerWaalsContact C-N 3.32Å; H648-V650 PolarHBondContact O-N 2.86Å; V650-D652 VanDerWaalsContact C-N 3.33Å; V650-D652 PolarHBondContact O-N 3.42Å; V650-K653 WeakPolarHBondContact O-CB 3.32Å; V650-K653 PolarHBondContact O-N 2.99Å; V650-F654 HydrophobicContact CG1-CD2 4Å; V650-F654 HydrophobicContact CG1-CE2 3.86Å; V650-F654 WeakPolarHBondContact O-CD2 3.47Å; V650-F654 PolarHBondContact O-N 3.15Å; V650-F654 VanDerWaalsContact O-N 3.17Å; V650-A690 HydrophobicContact CG1-CB 4.3Å; V650-M693 HydrophobicContact CG1-CG 4.36Å
651V89.6Confident87.9Confident0 Ų050.5 Ų50.50%027%0.267CS..Hα-helixtrans-58.6-47.3174.9172.20000110.5I647 H648 K653 F654 I655 R676 L679 A680 M693I647-V651 WeakPolarHBondContact O-CG2 3.37Å; I647-V651 PolarHBondContact O-N 3.23Å; H648-V651 WeakPolarHBondContact O-CB 3.28Å; H648-V651 PolarHBondContact O-N 2.83Å; V651-K653 VanDerWaalsContact C-N 3.31Å; V651-K653 PolarHBondContact O-N 3.23Å; V651-F654 PolarHBondContact O-N 3.15Å; V651-F654 VanDerWaalsContact O-N 3.16Å; V651-I655 HydrophobicContact CG1-CD1 3.69Å; V651-I655 HydrophobicContact CG1-CG1 4.32Å; V651-I655 WeakPolarHBondContact O-CG1 3.41Å; V651-I655 PolarHBondContact O-N 3.29Å; V651-R676 HydrophobicContact CG1-CB 4.41Å; V651-L679 HydrophobicContact CG1-CB 4Å; V651-L679 HydrophobicContact CG1-CD1 4.18Å; V651-L679 HydrophobicContact CG2-CB 4.29Å; V651-A680 HydrophobicContact CG2-CB 3.94Å; V651-M693 HydrophobicContact CG2-CE 3.58Å; V651-M693 HydrophobicContact CG2-SD 3.73Å
652D88.6Confident88Confident56 Ų5648.2 Ų48.230%0.29926%0.256SS..Hα-helixtrans-59.5-41.5179-72.4-17.1000111.7H648 Q649 V650 F654 I655 V656 R676H648-D652 PolarHBondContact O-N 2.96Å; Q649-D652 PolarHBondContact O-N 3.39Å; V650-D652 VanDerWaalsContact C-N 3.33Å; V650-D652 PolarHBondContact O-N 3.42Å; D652-F654 PolarHBondContact O-N 3.47Å; D652-I655 PolarHBondContact O-N 3.22Å; D652-V656 WeakPolarHBondContact O-CG2 3.3Å; D652-V656 PolarHBondContact O-N 3.39Å; D652-R676 VanDerWaalsContact CG-NH1 3.34Å; D652-R676 WeakPolarHBondContact OD1-CD 3.24Å; D652-R676 IonicContact OD1-CZ 3.98Å; D652-R676 IonicContact OD1-NE 2.82Å; D652-R676 IonicContact OD1-NH1 3.73Å; D652-R676 PolarHBondContact OD1-NH1 3.02Å; D652-R676 IonicContact OD2-NH1 3.85Å
653K87.7Confident88Confident35 Ų3552.4 Ų52.415%0.15228%0.279CS..Hα-helixtrans-56.6-49.3173.7176.1-175.9176-176.40111.9L448 F450 E492 Q649 V650 V651 I655 V656 E657L448-K653 PolarHBondContact O-NZ 2.68Å; F450-K653 HydrophobicContact CE2-CB 3.9Å; F450-K653 HydrophobicContact CE2-CD 4.07Å; F450-K653 HydrophobicContact CZ-CB 4.39Å; E492-K653 IonicContact OE1-NZ 3.77Å; E492-K653 PolarHBondContact OE1-NZ 3.27Å; Q649-K653 PolarHBondContact O-N 3.47Å; V650-K653 WeakPolarHBondContact O-CB 3.32Å; V650-K653 PolarHBondContact O-N 2.99Å; V651-K653 VanDerWaalsContact C-N 3.31Å; V651-K653 PolarHBondContact O-N 3.23Å; K653-I655 VanDerWaalsContact C-N 3.31Å; K653-I655 PolarHBondContact O-N 2.85Å; K653-V656 PolarHBondContact O-N 3.33Å; K653-E657 WeakPolarHBondContact CE-OE1 3.44Å; K653-E657 WeakPolarHBondContact O-CG 3.46Å; K653-E657 PolarHBondContact O-N 3.44Å
654F89Confident88.1Confident52 Ų5257.6 Ų57.623%0.22830%0.297CS..Hα-helixtrans-64.9-34.5178.3-82.8-76.6000112.9V650 V651 D652 L658 M693 A694 I697V650-F654 HydrophobicContact CG1-CD2 4Å; V650-F654 HydrophobicContact CG1-CE2 3.86Å; V650-F654 WeakPolarHBondContact O-CD2 3.47Å; V650-F654 PolarHBondContact O-N 3.15Å; V650-F654 VanDerWaalsContact O-N 3.17Å; V651-F654 PolarHBondContact O-N 3.15Å; V651-F654 VanDerWaalsContact O-N 3.16Å; D652-F654 PolarHBondContact O-N 3.47Å; F654-L658 WeakPolarHBondContact O-CB 3.41Å; F654-L658 PolarHBondContact O-N 2.95Å; F654-L658 VanDerWaalsContact O-N 3.07Å; F654-M693 HydrophobicContact CD2-CB 4.44Å; F654-M693 HydrophobicContact CD2-CG 3.59Å; F654-M693 HydrophobicContact CE2-CB 4.05Å; F654-M693 HydrophobicContact CE2-CG 3.68Å; F654-M693 HydrophobicContact CG-CG 4.42Å; F654-A694 HydrophobicContact CE1-CB 3.99Å; F654-A694 HydrophobicContact CZ-CB 4.17Å; F654-I697 HydrophobicContact CB-CD1 4.15Å; F654-I697 HydrophobicContact CB-CG1 3.91Å; F654-I697 HydrophobicContact CG-CG1 4.27Å
655I90.2Very high88.2Confident3 Ų358.5 Ų58.52%0.01529%0.292CS..Hα-helixtrans-66.4-44.4175.3-68.7169.8000110.3V651 D652 K653 L658 Q659 L669 V671 R676 L679 L701V651-I655 HydrophobicContact CG1-CD1 3.69Å; V651-I655 HydrophobicContact CG1-CG1 4.32Å; V651-I655 WeakPolarHBondContact O-CG1 3.41Å; V651-I655 PolarHBondContact O-N 3.29Å; D652-I655 PolarHBondContact O-N 3.22Å; K653-I655 VanDerWaalsContact C-N 3.31Å; K653-I655 PolarHBondContact O-N 2.85Å; I655-L658 CarbonylContact O-C 3.53Å; I655-L658 WeakPolarHBondContact O-CB 3.44Å; I655-L658 PolarHBondContact O-N 3.35Å; I655-Q659 HydrophobicContact CG2-CG 4.34Å; I655-Q659 WeakPolarHBondContact O-CG 3.46Å; I655-Q659 PolarHBondContact O-N 3.37Å; I655-L669 HydrophobicContact CG2-CD2 4.41Å; I655-V671 HydrophobicContact CD1-CB 4.08Å; I655-V671 HydrophobicContact CD1-CG1 4.08Å; I655-V671 HydrophobicContact CD1-CG2 4.1Å; I655-V671 HydrophobicContact CG1-CG2 4.44Å; I655-V671 HydrophobicContact CG2-CG2 4.09Å; I655-R676 HydrophobicContact CD1-CG 3.95Å; I655-L679 HydrophobicContact CD1-CD1 4.47Å; I655-L701 HydrophobicContact CG1-CD1 4.44Å
656V88.3Confident88.2Confident77 Ų7755.2 Ų55.247%0.46729%0.287SS..Hα-helixtrans-62.9-43.3177.1171.30000111.1D652 K653 L658 Q659 V660D652-V656 WeakPolarHBondContact O-CG2 3.3Å; D652-V656 PolarHBondContact O-N 3.39Å; K653-V656 PolarHBondContact O-N 3.33Å; V656-L658 VanDerWaalsContact C-N 3.26Å; V656-L658 PolarHBondContact O-N 3.17Å; V656-Q659 WeakPolarHBondContact O-CB 3.49Å; V656-Q659 PolarHBondContact O-N 3.29Å; V656-Q659 VanDerWaalsContact O-N 3.15Å; V656-V660 WeakPolarHBondContact O-CG2 3.39Å; V656-V660 PolarHBondContact O-N 3.32Å
657E87.5Confident88.4Confident86 Ų8654.6 Ų54.640%0.40228%0.283SS..Hα-helixtrans-59.1-38.4174.8-74.3177.1-173.700112.2K653 Q661K653-E657 WeakPolarHBondContact CE-OE1 3.44Å; K653-E657 WeakPolarHBondContact O-CG 3.46Å; K653-E657 PolarHBondContact O-N 3.44Å; E657-Q661 WeakPolarHBondContact O-CG 3.45Å; E657-Q661 PolarHBondContact O-N 3.28Å
658L90.1Very high88.5Confident6 Ų656.9 Ų56.93%0.03130%0.299CS..Hα-helixtrans-70.5-41.2174177.256.3000112F654 I655 V656 V660 Q661 L662 L669 L701 K702 L705F654-L658 WeakPolarHBondContact O-CB 3.41Å; F654-L658 PolarHBondContact O-N 2.95Å; F654-L658 VanDerWaalsContact O-N 3.07Å; I655-L658 CarbonylContact O-C 3.53Å; I655-L658 WeakPolarHBondContact O-CB 3.44Å; I655-L658 PolarHBondContact O-N 3.35Å; V656-L658 VanDerWaalsContact C-N 3.26Å; V656-L658 PolarHBondContact O-N 3.17Å; L658-V660 VanDerWaalsContact C-N 3.35Å; L658-V660 PolarHBondContact O-N 3.29Å; L658-Q661 WeakPolarHBondContact O-CB 3.49Å; L658-Q661 PolarHBondContact O-N 2.79Å; L658-Q661 VanDerWaalsContact O-N 3.11Å; L658-L662 HydrophobicContact CD1-CD1 4.18Å; L658-L662 HydrophobicContact CD1-CG 4.13Å; L658-L662 HydrophobicContact CG-CD1 3.99Å; L658-L662 HydrophobicContact CG-CG 4.4Å; L658-L662 WeakPolarHBondContact O-CG 3.26Å; L658-L662 PolarHBondContact O-N 3.09Å; L658-L669 HydrophobicContact CD2-CD2 3.79Å; L658-L669 HydrophobicContact CG-CD2 4.01Å; L658-L701 HydrophobicContact CD2-CB 3.8Å; L658-L701 HydrophobicContact CD2-CD1 4.17Å; L658-K702 HydrophobicContact CD1-CD 4.49Å; L658-K702 HydrophobicContact CD1-CG 3.92Å; L658-K702 HydrophobicContact CD2-CG 4.24Å; L658-L705 HydrophobicContact CD1-CD1 4.4Å; L658-L705 HydrophobicContact CD2-CD1 3.9Å; L658-L705 HydrophobicContact CG-CD1 4.44Å
659Q88.7Confident88.6Confident53 Ų5355.2 Ų55.225%0.24829%0.292CS..Hα-helixtrans-57.5-46.8176.2-78.7172.3-27.800111.1I655 V656 Q661 L662 D663 L669I655-Q659 HydrophobicContact CG2-CG 4.34Å; I655-Q659 WeakPolarHBondContact O-CG 3.46Å; I655-Q659 PolarHBondContact O-N 3.37Å; V656-Q659 WeakPolarHBondContact O-CB 3.49Å; V656-Q659 PolarHBondContact O-N 3.29Å; V656-Q659 VanDerWaalsContact O-N 3.15Å; Q659-Q661 PolarHBondContact O-N 3.15Å; Q659-L662 CarbonylContact O-C 3.6Å; Q659-L662 WeakPolarHBondContact O-CA 3.36Å; Q659-L662 PolarHBondContact O-N 3.15Å; Q659-D663 VanDerWaalsContact O-CG 3.22Å; Q659-D663 PolarHBondContact O-N 3.1Å; Q659-L669 HydrophobicContact CG-CB 4.05Å; Q659-L669 HydrophobicContact CG-CD2 4.29Å; Q659-L669 PolarHBondContact NE2-O 2.96Å
660V88.2Confident88.8Confident80 Ų8056.5 Ų56.549%0.48530%0.297SS..Hα-helixtrans-58.1-35.5176.9173.40000112.1V656 L658V656-V660 WeakPolarHBondContact O-CG2 3.39Å; V656-V660 PolarHBondContact O-N 3.32Å; L658-V660 VanDerWaalsContact C-N 3.35Å; L658-V660 PolarHBondContact O-N 3.29Å
661Q89.1Confident89.1Confident100 Ų10055.9 Ų55.947%0.46729%0.294SS..Hα-helixtrans-71.5-33.3175.3-67.5176.6-5.600112.7E657 L658 Q659E657-Q661 WeakPolarHBondContact O-CG 3.45Å; E657-Q661 PolarHBondContact O-N 3.28Å; L658-Q661 WeakPolarHBondContact O-CB 3.49Å; L658-Q661 PolarHBondContact O-N 2.79Å; L658-Q661 VanDerWaalsContact O-N 3.11Å; Q659-Q661 PolarHBondContact O-N 3.15Å
662L89.1Confident89.2Confident4 Ų457.8 Ų57.82%0.02131%0.307CS..Hα-helixtrans-80-33.6179.4-67.7173.2000112.6L658 Q659 Q664 K665 G666 V667 L669 L705 L709L658-L662 HydrophobicContact CD1-CD1 4.18Å; L658-L662 HydrophobicContact CD1-CG 4.13Å; L658-L662 HydrophobicContact CG-CD1 3.99Å; L658-L662 HydrophobicContact CG-CG 4.4Å; L658-L662 WeakPolarHBondContact O-CG 3.26Å; L658-L662 PolarHBondContact O-N 3.09Å; Q659-L662 CarbonylContact O-C 3.6Å; Q659-L662 WeakPolarHBondContact O-CA 3.36Å; Q659-L662 PolarHBondContact O-N 3.15Å; L662-Q664 PolarHBondContact O-N 3.11Å; L662-K665 CarbonylContact O-C 3.58Å; L662-K665 WeakPolarHBondContact O-CA 3.39Å; L662-K665 WeakPolarHBondContact O-CB 3.47Å; L662-K665 PolarHBondContact O-N 3.41Å; L662-G666 PolarHBondContact O-N 2.84Å; L662-V667 CarbonylContact C-O 3.58Å; L662-V667 HydrophobicContact CB-CB 4.12Å; L662-V667 HydrophobicContact CB-CG1 4.39Å; L662-V667 VanDerWaalsContact CB-O 3.29Å; L662-V667 WeakPolarHBondContact CB-O 3.49Å; L662-V667 HydrophobicContact CD2-CB 4.41Å; L662-V667 HydrophobicContact CD2-CG1 4.33Å; L662-V667 PolarHBondContact O-N 3.32Å; L662-L669 HydrophobicContact CD1-CB 3.65Å; L662-L669 HydrophobicContact CD1-CD2 3.92Å; L662-L669 HydrophobicContact CD1-CG 4.29Å; L662-L705 HydrophobicContact CD1-CD1 3.96Å; L662-L705 HydrophobicContact CD2-CD1 4.45Å; L662-L709 HydrophobicContact CD2-CD1 3.79Å
663D85.7Confident89.3Confident102 Ų10260.6 Ų60.655%0.54532%0.318SS..Hα-helixtrans-59.4-38177.6-71.8-20.7000111.4Q659 K665 G666Q659-D663 VanDerWaalsContact O-CG 3.22Å; Q659-D663 PolarHBondContact O-N 3.1Å; D663-K665 PolarHBondContact O-N 2.96Å; D663-K665 VanDerWaalsContact O-N 3.14Å; D663-G666 PolarHBondContact O-N 3.43Å
664Q87.3Confident89.5Confident167 Ų16762.9 Ų62.978%0.7833%0.33SS*.THydrogen-bonded Turntrans-61.5-20.7174-67.6179.21.700113.2L662L662-Q664 PolarHBondContact O-N 3.11Å
665K86.8Confident89.7Confident118 Ų11860.4 Ų60.451%0.51332%0.319SS..THydrogen-bonded Turntrans-103.58.1177-55.3-171.5178-169.60112.6L662 D663 V667 L709L662-K665 CarbonylContact O-C 3.58Å; L662-K665 WeakPolarHBondContact O-CA 3.39Å; L662-K665 WeakPolarHBondContact O-CB 3.47Å; L662-K665 PolarHBondContact O-N 3.41Å; D663-K665 PolarHBondContact O-N 2.96Å; D663-K665 VanDerWaalsContact O-N 3.14Å; K665-V667 VanDerWaalsContact C-N 3.29Å; K665-V667 PolarHBondContact O-N 3.14Å; K665-L709 HydrophobicContact CB-CD2 4.23Å; K665-L709 HydrophobicContact CD-CD1 4Å; K665-L709 HydrophobicContact CD-CD2 3.81Å; K665-L709 HydrophobicContact CD-CG 4.46Å
666G87.3Confident89.8Confident50 Ų5063.5 Ų63.552%0.51533%0.33SS..THydrogen-bonded Turntrans65.829.2-177.300000113.6L662 D663 G717 G718L662-G666 PolarHBondContact O-N 2.84Å; D663-G666 PolarHBondContact O-N 3.43Å; G666-G717 WeakPolarHBondContact O-CA 3.37Å; G666-G718 PolarHBondContact O-N 3.43Å
667V90.6Very high90Very high2 Ų263 Ų631%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-112.6122.7179.1176.50000111L662 K665 L709 L714 G718 V720L662-V667 CarbonylContact C-O 3.58Å; L662-V667 HydrophobicContact CB-CB 4.12Å; L662-V667 HydrophobicContact CB-CG1 4.39Å; L662-V667 VanDerWaalsContact CB-O 3.29Å; L662-V667 WeakPolarHBondContact CB-O 3.49Å; L662-V667 HydrophobicContact CD2-CB 4.41Å; L662-V667 HydrophobicContact CD2-CG1 4.33Å; L662-V667 PolarHBondContact O-N 3.32Å; K665-V667 VanDerWaalsContact C-N 3.29Å; K665-V667 PolarHBondContact O-N 3.14Å; V667-L709 HydrophobicContact CG2-CD2 3.7Å; V667-L714 HydrophobicContact CG1-CD1 4.23Å; V667-L714 HydrophobicContact CG1-CD2 4.31Å; V667-L714 HydrophobicContact CG2-CB 4.12Å; V667-L714 HydrophobicContact CG2-CD2 4.43Å; V667-G718 CarbonylContact C-O 3.5Å; V667-G718 VanDerWaalsContact CA-O 3.27Å; V667-G718 WeakPolarHBondContact CA-O 3.49Å; V667-V720 HydrophobicContact CG1-CG2 3.79Å
668S89.8Confident90.3Very high52 Ų5259.9 Ų59.936%0.36431%0.31SS..EExtended strand (participates in β ladder)trans-92.5131.6172.961.70000111.3G718 Q719 V720S668-G718 PolarHBondContact N-O 3.36Å; S668-G718 PolarHBondContact OG-O 3.39Å; S668-Q719 CarbonylContact O-C 3.55Å; S668-Q719 WeakPolarHBondContact O-CA 3.42Å; S668-Q719 WeakPolarHBondContact OG-CA 3.46Å; S668-Q719 WeakPolarHBondContact OG-CB 3.4Å; S668-Q719 WeakPolarHBondContact OG-CG 3.37Å; S668-V720 PolarHBondContact O-N 3.42Å
669L91.7Very high90.5Very high8 Ų859.6 Ų59.64%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-110.7125.9178.2172.968.4000111.3I655 L658 Q659 L662 V671 V720 V722I655-L669 HydrophobicContact CG2-CD2 4.41Å; L658-L669 HydrophobicContact CD2-CD2 3.79Å; L658-L669 HydrophobicContact CG-CD2 4.01Å; Q659-L669 HydrophobicContact CG-CB 4.05Å; Q659-L669 HydrophobicContact CG-CD2 4.29Å; Q659-L669 PolarHBondContact NE2-O 2.96Å; L662-L669 HydrophobicContact CD1-CB 3.65Å; L662-L669 HydrophobicContact CD1-CD2 3.92Å; L662-L669 HydrophobicContact CD1-CG 4.29Å; L669-V671 HydrophobicContact CD1-CG2 4.07Å; L669-V671 HydrophobicContact CD2-CG2 4.16Å; L669-V671 HydrophobicContact CG-CG2 3.94Å; L669-V720 HydrophobicContact CD1-CB 4.12Å; L669-V720 HydrophobicContact CD1-CG1 4.2Å; L669-V722 HydrophobicContact CD1-CG2 3.74Å
670E92.1Very high90.6Very high116 Ų11657.3 Ų57.354%0.54230%0.299SS..EExtended strand (participates in β ladder)trans-120.5120.3175.5-161.1177.9-17200110Q719 V720 T721 V722E670-Q719 PolarHBondContact OE2-NE2 3.36Å; E670-V720 PolarHBondContact N-O 3.47Å; E670-T721 HydrophobicContact CB-CG2 4.31Å; E670-T721 CarbonylContact O-C 3.49Å; E670-T721 WeakPolarHBondContact O-CA 3.46Å; E670-V722 PolarHBondContact O-N 3.41Å
671V92.8Very high90.7Very high7 Ų760.5 Ų60.54%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-115.2119.7-177.8-173.40000109.2I655 L669 A675 R676 L679 V722I655-V671 HydrophobicContact CD1-CB 4.08Å; I655-V671 HydrophobicContact CD1-CG1 4.08Å; I655-V671 HydrophobicContact CD1-CG2 4.1Å; I655-V671 HydrophobicContact CG1-CG2 4.44Å; I655-V671 HydrophobicContact CG2-CG2 4.09Å; L669-V671 HydrophobicContact CD1-CG2 4.07Å; L669-V671 HydrophobicContact CD2-CG2 4.16Å; L669-V671 HydrophobicContact CG-CG2 3.94Å; V671-A675 HydrophobicContact CG1-CB 3.76Å; V671-R676 HydrophobicContact CB-CG 4.43Å; V671-R676 HydrophobicContact CG1-CG 3.88Å; V671-R676 PolarHBondContact O-NE 3.35Å; V671-L679 HydrophobicContact CG1-CD1 4.48Å; V671-V722 HydrophobicContact CG1-CB 4.36Å; V671-V722 HydrophobicContact CG2-CB 4.33Å; V671-V722 HydrophobicContact CG2-CG2 4.47Å
672S93.2Very high90.8Very high40 Ų4060.7 Ų60.728%0.2831%0.307SS..  trans-64.3154.7-179.883.70000112E674 A675 R676 V722S672-E674 PolarHBondContact O-N 3.43Å; S672-A675 PolarHBondContact O-N 2.92Å; S672-A675 VanDerWaalsContact O-N 3.13Å; S672-A675 PolarHBondContact OG-N 3.43Å; S672-R676 WeakPolarHBondContact O-CG 3.24Å; S672-R676 PolarHBondContact O-N 3.47Å; S672-V722 PolarHBondContact N-O 2.87Å
673Q90.8Very high90.7Very high114 Ų11460.5 Ų60.553%0.53331%0.306SS..Hα-helixtrans-59.1-35.9179.6-171.360.44700112.4R676 N677Q673-R676 PolarHBondContact O-N 3.24Å; Q673-N677 PolarHBondContact NE2-OD1 2.94Å; Q673-N677 PolarHBondContact O-N 3.48Å; Q673-N677 PolarHBondContact O-OD1 3.28Å
674E92.3Very high90.7Very high84 Ų8458.1 Ų58.139%0.39329%0.29SS..Hα-helixtrans-66.9-40.3178.6-57.6-179.5151.200111.4S672 N677 W678 L724 K726S672-E674 PolarHBondContact O-N 3.43Å; E674-N677 PolarHBondContact O-N 3.42Å; E674-W678 PolarHBondContact O-N 2.89Å; E674-L724 HydrophobicContact CB-CB 4.02Å; E674-L724 HydrophobicContact CB-CD2 4.28Å; E674-K726 VanDerWaalsContact CD-CE 3.46Å; E674-K726 WeakPolarHBondContact OE1-CE 3.4Å; E674-K726 IonicContact OE1-NZ 2.69Å; E674-K726 PolarHBondContact OE1-NZ 3.38Å; E674-K726 IonicContact OE2-NZ 3.86Å
675A92.4Very high90.5Very high0 Ų053.5 Ų53.50%027%0.271CS..Hα-helixtrans-65.8-39.4173.500000111.7V671 S672 N677 W678 L679 V722 L731V671-A675 HydrophobicContact CG1-CB 3.76Å; S672-A675 PolarHBondContact O-N 2.92Å; S672-A675 VanDerWaalsContact O-N 3.13Å; S672-A675 PolarHBondContact OG-N 3.43Å; A675-N677 VanDerWaalsContact C-N 3.34Å; A675-N677 PolarHBondContact O-N 3.07Å; A675-W678 PolarHBondContact O-N 3.33Å; A675-L679 VanDerWaalsContact O-CG 3.3Å; A675-L679 WeakPolarHBondContact O-CG 3.26Å; A675-L679 PolarHBondContact O-N 2.95Å; A675-V722 HydrophobicContact CB-CG1 4.31Å; A675-L731 HydrophobicContact CB-CD2 3.68Å
676R92.7Very high90.1Very high67 Ų6755.2 Ų55.225%0.25327%0.274SS..Hα-helixtrans-61.1-42.5173.9-66.7-179.6-167.3-152.77112V651 D652 I655 V671 S672 Q673 W678 L679 A680V651-R676 HydrophobicContact CG1-CB 4.41Å; D652-R676 VanDerWaalsContact CG-NH1 3.34Å; D652-R676 WeakPolarHBondContact OD1-CD 3.24Å; D652-R676 IonicContact OD1-CZ 3.98Å; D652-R676 IonicContact OD1-NE 2.82Å; D652-R676 IonicContact OD1-NH1 3.73Å; D652-R676 PolarHBondContact OD1-NH1 3.02Å; D652-R676 IonicContact OD2-NH1 3.85Å; I655-R676 HydrophobicContact CD1-CG 3.95Å; V671-R676 HydrophobicContact CB-CG 4.43Å; V671-R676 HydrophobicContact CG1-CG 3.88Å; V671-R676 PolarHBondContact O-NE 3.35Å; S672-R676 WeakPolarHBondContact O-CG 3.24Å; S672-R676 PolarHBondContact O-N 3.47Å; Q673-R676 PolarHBondContact O-N 3.24Å; R676-W678 VanDerWaalsContact C-N 3.33Å; R676-W678 PolarHBondContact O-N 2.92Å; R676-L679 PolarHBondContact O-N 3.37Å; R676-A680 WeakPolarHBondContact O-CB 3.13Å; R676-A680 PolarHBondContact O-N 3.25Å
677N92.5Very high89.5Confident68 Ų6855.7 Ų55.736%0.36427%0.273SS..Hα-helixtrans-64.3-40.9177.7-65.8-2.2000111.6H648 Q673 E674 A675 A680 E681H648-N677 PolarHBondContact CE1-OD1 3.46Å; H648-N677 PolarHBondContact ND1-OD1 3.41Å; Q673-N677 PolarHBondContact NE2-OD1 2.94Å; Q673-N677 PolarHBondContact O-N 3.48Å; Q673-N677 PolarHBondContact O-OD1 3.28Å; E674-N677 PolarHBondContact O-N 3.42Å; A675-N677 VanDerWaalsContact C-N 3.34Å; A675-N677 PolarHBondContact O-N 3.07Å; N677-A680 WeakPolarHBondContact O-CB 3.46Å; N677-A680 PolarHBondContact O-N 3.09Å; N677-E681 PolarHBondContact O-N 2.92Å
678W93.8Very high88.9Confident19 Ų1960.2 Ų60.27%0.07230%0.295CS..Hα-helixtrans-63.3-42.4175.4-173.694.1000112.4E674 A675 R676 A680 E681 K682 N700 L724 N729 L731E674-W678 PolarHBondContact O-N 2.89Å; A675-W678 PolarHBondContact O-N 3.33Å; R676-W678 VanDerWaalsContact C-N 3.33Å; R676-W678 PolarHBondContact O-N 2.92Å; W678-A680 VanDerWaalsContact C-N 3.34Å; W678-A680 PolarHBondContact O-N 2.91Å; W678-E681 PolarHBondContact O-N 3.34Å; W678-K682 HydrophobicContact CD2-CG 4.02Å; W678-K682 HydrophobicContact CE3-CG 4.13Å; W678-K682 HydrophobicContact CH2-CG 4.02Å; W678-K682 HydrophobicContact CZ2-CD 4.43Å; W678-K682 HydrophobicContact CZ2-CG 3.9Å; W678-K682 HydrophobicContact CZ3-CG 4.13Å; W678-K682 WeakPolarHBondContact O-CB 3.34Å; W678-K682 WeakPolarHBondContact O-CG 3.31Å; W678-K682 PolarHBondContact O-N 3.28Å; W678-N700 HydrophobicContact CZ3-CB 4.22Å; W678-L724 HydrophobicContact CB-CD1 3.98Å; W678-L724 HydrophobicContact CB-CD2 4.19Å; W678-L724 VanDerWaalsContact CD1-CD1 3.41Å; W678-L724 HydrophobicContact CD2-CD1 4.36Å; W678-L724 HydrophobicContact CG-CD1 3.67Å; W678-N729 PolarHBondContact NE1-O 3.01Å; W678-N729 VanDerWaalsContact NE1-O 3.12Å; W678-N729 PolarHBondContact NE1-OD1 3.24Å; W678-L731 HydrophobicContact CD2-CD2 4.21Å; W678-L731 HydrophobicContact CD2-CG 4.41Å; W678-L731 HydrophobicContact CE3-CD1 4.04Å; W678-L731 HydrophobicContact CE3-CD2 3.93Å; W678-L731 HydrophobicContact CE3-CG 3.85Å; W678-L731 HydrophobicContact CG-CD2 4.49Å; W678-L731 HydrophobicContact CZ3-CD1 3.97Å; W678-L731 HydrophobicContact CZ3-CG 3.92Å
679L93.7Very high88.7Confident0 Ų057.8 Ų57.80%028%0.278CS..Hα-helixtrans-62.5-40.7174.7-70.6168.3000111.7V651 I655 V671 A675 R676 K682 G683 V696 I697 L701 L731V651-L679 HydrophobicContact CG1-CB 4Å; V651-L679 HydrophobicContact CG1-CD1 4.18Å; V651-L679 HydrophobicContact CG2-CB 4.29Å; I655-L679 HydrophobicContact CD1-CD1 4.47Å; V671-L679 HydrophobicContact CG1-CD1 4.48Å; A675-L679 VanDerWaalsContact O-CG 3.3Å; A675-L679 WeakPolarHBondContact O-CG 3.26Å; A675-L679 PolarHBondContact O-N 2.95Å; R676-L679 PolarHBondContact O-N 3.37Å; L679-K682 PolarHBondContact O-N 3.25Å; L679-G683 WeakPolarHBondContact O-CA 3.46Å; L679-G683 PolarHBondContact O-N 3.5Å; L679-V696 HydrophobicContact CD2-CG1 3.71Å; L679-I697 HydrophobicContact CD1-CD1 4.1Å; L679-I697 HydrophobicContact CD2-CD1 4.23Å; L679-L701 HydrophobicContact CD1-CD1 4Å; L679-L731 HydrophobicContact CD2-CD1 4.06Å; L679-L731 HydrophobicContact CG-CD1 4.38Å
680A91.4Very high88.4Confident6 Ų658.1 Ų58.15%0.0528%0.283CS..Hα-helixtrans-60.8-47.117600000111.7I647 V651 R676 N677 W678 Y684I647-A680 HydrophobicContact CG2-CB 3.76Å; V651-A680 HydrophobicContact CG2-CB 3.94Å; R676-A680 WeakPolarHBondContact O-CB 3.13Å; R676-A680 PolarHBondContact O-N 3.25Å; N677-A680 WeakPolarHBondContact O-CB 3.46Å; N677-A680 PolarHBondContact O-N 3.09Å; W678-A680 VanDerWaalsContact C-N 3.34Å; W678-A680 PolarHBondContact O-N 2.91Å; A680-Y684 WeakPolarHBondContact O-CB 3.37Å; A680-Y684 PolarHBondContact O-N 2.97Å
681E90.3Very high88.1Confident147 Ų14759.5 Ų59.569%0.68728%0.283SS*.Hα-helixtrans-65-40.6179.3-169.2-175.6164.200112.2N677 W678N677-E681 PolarHBondContact O-N 2.92Å; W678-E681 PolarHBondContact O-N 3.34Å
682K90Very high87.9Confident103 Ų10360.7 Ų60.745%0.44829%0.29SS..Hα-helixtrans-77.8-31.5179.4-68.5-65.3-178.5-175.90113.7W678 L679 V696W678-K682 HydrophobicContact CD2-CG 4.02Å; W678-K682 HydrophobicContact CE3-CG 4.13Å; W678-K682 HydrophobicContact CH2-CG 4.02Å; W678-K682 HydrophobicContact CZ2-CD 4.43Å; W678-K682 HydrophobicContact CZ2-CG 3.9Å; W678-K682 HydrophobicContact CZ3-CG 4.13Å; W678-K682 WeakPolarHBondContact O-CB 3.34Å; W678-K682 WeakPolarHBondContact O-CG 3.31Å; W678-K682 PolarHBondContact O-N 3.28Å; L679-K682 PolarHBondContact O-N 3.25Å; K682-V696 HydrophobicContact CB-CG1 4.04Å; K682-V696 HydrophobicContact CB-CG2 4.29Å
683G86.8Confident87.8Confident0 Ų058.8 Ų58.80%028%0.277CS..Hα-helixtrans-88.7-7.2-175.100000114.6L679 M693L679-G683 WeakPolarHBondContact O-CA 3.46Å; L679-G683 PolarHBondContact O-N 3.5Å; G683-M693 PolarHBondContact O-N 3.38Å
684Y87.1Confident87.6Confident53 Ų5355.6 Ų55.621%0.20827%0.271CS..  trans-118.3129.9177.8179.1-107.6000111.9L642 I647 A680L642-Y684 HydrophobicContact CB-CE2 4.27Å; L642-Y684 PolarHBondContact O-OH 3.47Å; I647-Y684 HydrophobicContact CD1-CD1 3.29Å; I647-Y684 HydrophobicContact CD1-CD2 3.45Å; I647-Y684 VanDerWaalsContact CD1-CD2 3.45Å; I647-Y684 HydrophobicContact CD1-CE1 3.54Å; I647-Y684 HydrophobicContact CD1-CE2 3.73Å; I647-Y684 HydrophobicContact CD1-CG 3.21Å; I647-Y684 HydrophobicContact CG1-CD1 4.45Å; I647-Y684 HydrophobicContact CG1-CD2 3.83Å; I647-Y684 HydrophobicContact CG1-CE2 4.26Å; I647-Y684 HydrophobicContact CG1-CG 3.93Å; A680-Y684 WeakPolarHBondContact O-CB 3.37Å; A680-Y684 PolarHBondContact O-N 2.97Å
685D83.1Confident87.6Confident70 Ų7060 Ų6037%0.37428%0.284SS..BIsolated β-bridgetrans-127.1137.6167.3173.1-87.5000108.1A687 M688 G689D685-A687 PolarHBondContact O-N 3.13Å; D685-A687 WeakPolarHBondContact OD1-CA 3.21Å; D685-A687 VanDerWaalsContact OD1-CB 3.31Å; D685-A687 WeakPolarHBondContact OD1-CB 3.49Å; D685-A687 PolarHBondContact OD1-N 2.94Å; D685-M688 HydrophobicContact CB-CB 4.21Å; D685-M688 HydrophobicContact CB-CE 4.15Å; D685-M688 PolarHBondContact O-N 3.34Å; D685-M688 PolarHBondContact OD1-N 3.22Å; D685-G689 PolarHBondContact N-O 3.13Å; D685-G689 VanDerWaalsContact O-CA 3.24Å; D685-G689 WeakPolarHBondContact O-CA 3.42Å; D685-G689 PolarHBondContact O-N 2.84Å
686R78.1Confident87.6Confident154 Ų15460.9 Ų60.958%0.58129%0.289SS*.THydrogen-bonded Turntrans-61.6-33-174.7-172.9172.8177.9167-0.4112.8H641H641-R686 PolarHBondContact CE1-O 2.69Å; H641-R686 PolarHBondContact ND1-O 3.17Å
687A74.7Confident87.6Confident59 Ų5957.8 Ų57.849%0.48828%0.277SS..THydrogen-bonded Turntrans-82.7-31.7179.300000112.4T486 D685T486-A687 WeakPolarHBondContact CG2-O 3.44Å; D685-A687 PolarHBondContact O-N 3.13Å; D685-A687 WeakPolarHBondContact OD1-CA 3.21Å; D685-A687 VanDerWaalsContact OD1-CB 3.31Å; D685-A687 WeakPolarHBondContact OD1-CB 3.49Å; D685-A687 PolarHBondContact OD1-N 2.94Å
688M78.7Confident87.6Confident97 Ų9760 Ų6048%0.47829%0.286SS..THydrogen-bonded Turntrans-100-6.1-179.7-62.6-167.1-7400115.2T486 D685 R691 P692T486-M688 CarbonylContact O-C 3.6Å; D685-M688 HydrophobicContact CB-CB 4.21Å; D685-M688 HydrophobicContact CB-CE 4.15Å; D685-M688 PolarHBondContact O-N 3.34Å; D685-M688 PolarHBondContact OD1-N 3.22Å; M688-R691 WeakPolarHBondContact O-CB 3.48Å; M688-R691 WeakPolarHBondContact O-CG 3.49Å; M688-R691 PolarHBondContact O-N 3.38Å; M688-P692 HydrophobicContact CB-CG 4.48Å; M688-P692 HydrophobicContact CE-CG 4.04Å
689G85.3Confident87.6Confident1 Ų162.3 Ų62.31%0.0130%0.299CS..BIsolated β-bridgetrans59.5-145.6-171.100000112.5T486 D685 R691 P692T486-G689 WeakPolarHBondContact O-CA 3.47Å; T486-G689 PolarHBondContact O-N 3.44Å; D685-G689 PolarHBondContact N-O 3.13Å; D685-G689 VanDerWaalsContact O-CA 3.24Å; D685-G689 WeakPolarHBondContact O-CA 3.42Å; D685-G689 PolarHBondContact O-N 2.84Å; G689-R691 PolarHBondContact O-N 3.5Å; G689-P692 WeakPolarHBondContact O-CD 3.27Å
690A85.8Confident87.6Confident16 Ų1664.4 Ų64.413%0.13231%0.31CS..THydrogen-bonded Turntrans-82.811.6178.100000113.9G487 L642 V650 P692 M693G487-A690 PolarHBondContact O-N 2.85Å; G487-A690 VanDerWaalsContact O-N 3.09Å; L642-A690 HydrophobicContact CD1-CB 4.09Å; V650-A690 HydrophobicContact CG1-CB 4.3Å; A690-P692 VanDerWaalsContact C-CD 3.44Å; A690-P692 VanDerWaalsContact C-N 3.34Å; A690-M693 WeakPolarHBondContact O-CB 3.5Å; A690-M693 PolarHBondContact O-N 3.28Å
691R84.8Confident87.7Confident145 Ų14564.2 Ų64.255%0.54731%0.308SS..THydrogen-bonded Turntrans-53.7-41178.9-81.8-175.7166.4-176.80.5113.7T486 M688 G689 M693T486-R691 PolarHBondContact OG1-NE 2.9Å; T486-R691 PolarHBondContact OG1-NH1 2.96Å; T486-R691 PolarHBondContact OG1-NH2 3.12Å; M688-R691 WeakPolarHBondContact O-CB 3.48Å; M688-R691 WeakPolarHBondContact O-CG 3.49Å; M688-R691 PolarHBondContact O-N 3.38Å; G689-R691 PolarHBondContact O-N 3.5Å; R691-M693 PolarHBondContact O-N 3.08Å
692P88.2Confident87.8Confident31 Ų3160.9 Ų60.920%0.20129%0.291CS..THydrogen-bonded Turntrans-67.4-19.7178.9-21.334.3000114.2M688 G689 A690 A694 R695 V696M688-P692 HydrophobicContact CB-CG 4.48Å; M688-P692 HydrophobicContact CE-CG 4.04Å; G689-P692 WeakPolarHBondContact O-CD 3.27Å; A690-P692 VanDerWaalsContact C-CD 3.44Å; A690-P692 VanDerWaalsContact C-N 3.34Å; P692-A694 PolarHBondContact O-N 2.92Å; P692-R695 WeakPolarHBondContact O-CB 3.19Å; P692-R695 PolarHBondContact O-N 3.31Å; P692-V696 PolarHBondContact O-N 2.94Å
693M90.9Very high88Confident0 Ų063 Ų630%030%0.301CS..Hα-helixtrans-53.9-46.6-169.4-168.961.870.700113.4I647 V650 V651 F654 G683 A690 R691 R695 V696 I697I647-M693 HydrophobicContact CG2-CE 4Å; V650-M693 HydrophobicContact CG1-CG 4.36Å; V651-M693 HydrophobicContact CG2-CE 3.58Å; V651-M693 HydrophobicContact CG2-SD 3.73Å; F654-M693 HydrophobicContact CD2-CB 4.44Å; F654-M693 HydrophobicContact CD2-CG 3.59Å; F654-M693 HydrophobicContact CE2-CB 4.05Å; F654-M693 HydrophobicContact CE2-CG 3.68Å; F654-M693 HydrophobicContact CG-CG 4.42Å; G683-M693 PolarHBondContact O-N 3.38Å; A690-M693 WeakPolarHBondContact O-CB 3.5Å; A690-M693 PolarHBondContact O-N 3.28Å; R691-M693 PolarHBondContact O-N 3.08Å; M693-R695 VanDerWaalsContact C-N 3.27Å; M693-R695 PolarHBondContact O-N 3.31Å; M693-V696 PolarHBondContact O-N 3.27Å; M693-V696 VanDerWaalsContact O-N 3.14Å; M693-I697 HydrophobicContact CG-CG1 4.43Å; M693-I697 WeakPolarHBondContact O-CG1 3.43Å; M693-I697 PolarHBondContact O-N 3.03Å
694A88.1Confident88.1Confident48 Ų4864.6 Ų64.640%0.39731%0.311SS..Hα-helixtrans-59.7-39.1-179.900000112.1F654 P692 Q698F654-A694 HydrophobicContact CE1-CB 3.99Å; F654-A694 HydrophobicContact CZ-CB 4.17Å; P692-A694 PolarHBondContact O-N 2.92Å; A694-Q698 VanDerWaalsContact O-CB 3.3Å; A694-Q698 WeakPolarHBondContact O-CB 3.42Å; A694-Q698 PolarHBondContact O-N 3.37Å
695R90.8Very high88.4Confident177 Ų17762.2 Ų62.267%0.66830%0.302SS*.Hα-helixtrans-69.9-41.5176.2-177176.6-179.41722.8111.5P692 M693 I697 Q698 D699P692-R695 WeakPolarHBondContact O-CB 3.19Å; P692-R695 PolarHBondContact O-N 3.31Å; M693-R695 VanDerWaalsContact C-N 3.27Å; M693-R695 PolarHBondContact O-N 3.31Å; R695-I697 VanDerWaalsContact C-N 3.34Å; R695-I697 PolarHBondContact O-N 3.3Å; R695-Q698 PolarHBondContact O-N 2.95Å; R695-D699 WeakPolarHBondContact CG-OD2 3.42Å; R695-D699 IonicContact NE-OD2 2.91Å; R695-D699 PolarHBondContact NE-OD2 3.5Å; R695-D699 WeakPolarHBondContact O-CB 3.34Å; R695-D699 PolarHBondContact O-N 2.94Å
696V93.1Very high88.7Confident17 Ų1761 Ų6110%0.10330%0.302CS..Hα-helixtrans-60.5-45176.7173.60000110.8L679 K682 P692 M693 N700L679-V696 HydrophobicContact CD2-CG1 3.71Å; K682-V696 HydrophobicContact CB-CG1 4.04Å; K682-V696 HydrophobicContact CB-CG2 4.29Å; P692-V696 PolarHBondContact O-N 2.94Å; M693-V696 PolarHBondContact O-N 3.27Å; M693-V696 VanDerWaalsContact O-N 3.14Å; V696-N700 VanDerWaalsContact O-CB 3.28Å; V696-N700 WeakPolarHBondContact O-CB 3.01Å; V696-N700 PolarHBondContact O-N 3.33Å; V696-N700 PolarHBondContact O-ND2 3.48Å
697I92.7Very high89.2Confident2 Ų258.2 Ų58.21%0.0130%0.298CS..Hα-helixtrans-64.7-40.1175-64.7-72.1000111.1F654 L679 M693 R695 L701 K702F654-I697 HydrophobicContact CB-CD1 4.15Å; F654-I697 HydrophobicContact CB-CG1 3.91Å; F654-I697 HydrophobicContact CG-CG1 4.27Å; L679-I697 HydrophobicContact CD1-CD1 4.1Å; L679-I697 HydrophobicContact CD2-CD1 4.23Å; M693-I697 HydrophobicContact CG-CG1 4.43Å; M693-I697 WeakPolarHBondContact O-CG1 3.43Å; M693-I697 PolarHBondContact O-N 3.03Å; R695-I697 VanDerWaalsContact C-N 3.34Å; R695-I697 PolarHBondContact O-N 3.3Å; I697-L701 HydrophobicContact CD1-CD1 3.7Å; I697-L701 HydrophobicContact CG2-CD1 4.34Å; I697-L701 WeakPolarHBondContact O-CA 3.47Å; I697-L701 VanDerWaalsContact O-CB 3.32Å; I697-L701 WeakPolarHBondContact O-CB 3.27Å; I697-L701 PolarHBondContact O-N 3.41Å; I697-K702 HydrophobicContact CG2-CG 4.47Å; I697-K702 PolarHBondContact O-N 3.36Å
698Q92.8Very high89.9Confident116 Ų11657.4 Ų57.454%0.54228%0.284SS..Iπ-helixtrans-63.1-51.4177.3-179.3174.3-4.900111.9A694 R695 K702 K703A694-Q698 VanDerWaalsContact O-CB 3.3Å; A694-Q698 WeakPolarHBondContact O-CB 3.42Å; A694-Q698 PolarHBondContact O-N 3.37Å; R695-Q698 PolarHBondContact O-N 2.95Å; Q698-K702 PolarHBondContact O-N 3.16Å; Q698-K703 WeakPolarHBondContact O-CB 3.28Å; Q698-K703 PolarHBondContact O-N 3.16Å
699D93.5Very high90.4Very high66 Ų6654 Ų5435%0.35327%0.268SS..Iπ-helixtrans-72.2-37.9-174.4-71.9-24000111.8R695R695-D699 WeakPolarHBondContact CG-OD2 3.42Å; R695-D699 IonicContact NE-OD2 2.91Å; R695-D699 PolarHBondContact NE-OD2 3.5Å; R695-D699 WeakPolarHBondContact O-CB 3.34Å; R695-D699 PolarHBondContact O-N 2.94Å
700N93.8Very high90.4Very high45 Ų4559.4 Ų59.424%0.24130%0.296CS..Iπ-helixtrans-105-10.1-171.7-57.3-84.8000114.6W678 V696 L731 Y733W678-N700 HydrophobicContact CZ3-CB 4.22Å; V696-N700 VanDerWaalsContact O-CB 3.28Å; V696-N700 WeakPolarHBondContact O-CB 3.01Å; V696-N700 PolarHBondContact O-N 3.33Å; V696-N700 PolarHBondContact O-ND2 3.48Å; N700-L731 HydrophobicContact CB-CD1 4.02Å; N700-Y733 WeakPolarHBondContact O-CE1 3.36Å; N700-Y733 VanDerWaalsContact O-CZ 3.28Å; N700-Y733 PolarHBondContact O-OH 3.39Å
701L93.1Very high90.5Very high1 Ų166.4 Ų66.41%0.00532%0.324CS..Iπ-helixtrans-122.9-59.4173-61.6178.9000111.1I655 L658 L679 I697 K703 P704 L705 V722 L731 Y733I655-L701 HydrophobicContact CG1-CD1 4.44Å; L658-L701 HydrophobicContact CD2-CB 3.8Å; L658-L701 HydrophobicContact CD2-CD1 4.17Å; L679-L701 HydrophobicContact CD1-CD1 4Å; I697-L701 HydrophobicContact CD1-CD1 3.7Å; I697-L701 HydrophobicContact CG2-CD1 4.34Å; I697-L701 WeakPolarHBondContact O-CA 3.47Å; I697-L701 VanDerWaalsContact O-CB 3.32Å; I697-L701 WeakPolarHBondContact O-CB 3.27Å; I697-L701 PolarHBondContact O-N 3.41Å; L701-K703 PolarHBondContact O-N 3.35Å; L701-P704 WeakPolarHBondContact O-CD 3.32Å; L701-L705 WeakPolarHBondContact O-CB 3.38Å; L701-L705 VanDerWaalsContact O-CD1 3.32Å; L701-L705 WeakPolarHBondContact O-CD1 3.12Å; L701-L705 WeakPolarHBondContact O-CG 3.33Å; L701-L705 PolarHBondContact O-N 3.12Å; L701-V722 HydrophobicContact CD2-CB 4.45Å; L701-V722 HydrophobicContact CD2-CG1 3.89Å; L701-V722 HydrophobicContact CD2-CG2 4.07Å; L701-L731 HydrophobicContact CD2-CD1 4.19Å; L701-Y733 HydrophobicContact CD2-CE1 4.45Å
702K93.2Very high90.6Very high77 Ų7760.8 Ų60.834%0.33531%0.311SS..Iπ-helixtrans-63.3-42.3-172.2-62.6-171.1174.1-171.90112.8L658 I697 Q698 L705 A706L658-K702 HydrophobicContact CD1-CD 4.49Å; L658-K702 HydrophobicContact CD1-CG 3.92Å; L658-K702 HydrophobicContact CD2-CG 4.24Å; I697-K702 HydrophobicContact CG2-CG 4.47Å; I697-K702 PolarHBondContact O-N 3.36Å; Q698-K702 PolarHBondContact O-N 3.16Å; K702-L705 PolarHBondContact O-N 3.03Å; K702-A706 VanDerWaalsContact O-CB 3.32Å; K702-A706 WeakPolarHBondContact O-CB 3.22Å; K702-A706 PolarHBondContact O-N 3.4Å
703K92.6Very high90.4Very high148 Ų14861.2 Ų61.264%0.64332%0.315SS*.Hα-helixtrans-66.4-48-176.6-175.8-178.6-176.3-176.90113Q698 L701 L705 A706Q698-K703 WeakPolarHBondContact O-CB 3.28Å; Q698-K703 PolarHBondContact O-N 3.16Å; L701-K703 PolarHBondContact O-N 3.35Å; K703-L705 VanDerWaalsContact C-N 3.34Å; K703-L705 PolarHBondContact O-N 3Å; K703-A706 PolarHBondContact O-N 3.32Å
704P90.4Very high90.3Very high33 Ų3361.3 Ų61.321%0.21432%0.315CS..Hα-helixtrans-56.6-44.7170.4-25.932.1000113.2L701 A706 N707 E708 Y733L701-P704 WeakPolarHBondContact O-CD 3.32Å; P704-A706 PolarHBondContact O-N 3.45Å; P704-N707 PolarHBondContact O-N 2.96Å; P704-E708 PolarHBondContact O-N 3.08Å; P704-Y733 HydrophobicContact CB-CD1 4.26Å; P704-Y733 HydrophobicContact CB-CD2 4.48Å; P704-Y733 HydrophobicContact CB-CE1 4.01Å; P704-Y733 HydrophobicContact CB-CE2 4.26Å; P704-Y733 HydrophobicContact CG-CE1 3.94Å; P704-Y733 HydrophobicContact CG-CE2 4.09Å
705L91.6Very high90.2Very high4 Ų462.7 Ų62.72%0.02132%0.319CS..Hα-helixtrans-64.2-39.1179.5-72.3168.5000113L658 L662 L701 K702 K703 N707 E708 L709 L714 V720 F735L658-L705 HydrophobicContact CD1-CD1 4.4Å; L658-L705 HydrophobicContact CD2-CD1 3.9Å; L658-L705 HydrophobicContact CG-CD1 4.44Å; L662-L705 HydrophobicContact CD1-CD1 3.96Å; L662-L705 HydrophobicContact CD2-CD1 4.45Å; L701-L705 WeakPolarHBondContact O-CB 3.38Å; L701-L705 VanDerWaalsContact O-CD1 3.32Å; L701-L705 WeakPolarHBondContact O-CD1 3.12Å; L701-L705 WeakPolarHBondContact O-CG 3.33Å; L701-L705 PolarHBondContact O-N 3.12Å; K702-L705 PolarHBondContact O-N 3.03Å; K703-L705 VanDerWaalsContact C-N 3.34Å; K703-L705 PolarHBondContact O-N 3Å; L705-N707 VanDerWaalsContact C-N 3.3Å; L705-N707 PolarHBondContact O-N 3.15Å; L705-E708 PolarHBondContact O-N 3.27Å; L705-L709 WeakPolarHBondContact O-CB 3.41Å; L705-L709 VanDerWaalsContact O-CG 3.27Å; L705-L709 WeakPolarHBondContact O-CG 3.42Å; L705-L709 PolarHBondContact O-N 3.38Å; L705-L714 HydrophobicContact CD2-CD1 4.17Å; L705-V720 HydrophobicContact CD2-CB 4.09Å; L705-V720 HydrophobicContact CD2-CG1 3.85Å; L705-V720 HydrophobicContact CD2-CG2 3.65Å; L705-F735 HydrophobicContact CD2-CE1 4.2Å
706A90.3Very high89.9Confident44 Ų4459.6 Ų59.636%0.36432%0.315SS..Hα-helixtrans-61.2-39.3-178.500000112.1K702 K703 P704 L710K702-A706 VanDerWaalsContact O-CB 3.32Å; K702-A706 WeakPolarHBondContact O-CB 3.22Å; K702-A706 PolarHBondContact O-N 3.4Å; K703-A706 PolarHBondContact O-N 3.32Å; P704-A706 PolarHBondContact O-N 3.45Å; A706-L710 WeakPolarHBondContact O-CG 3.46Å; A706-L710 PolarHBondContact O-N 3.08Å
707N87.8Confident89.6Confident96 Ų9658.9 Ų58.951%0.51331%0.311SS..Hα-helixtrans-65-43.3177.3-164.342.8000111.3P704 L705 L710 F711P704-N707 PolarHBondContact O-N 2.96Å; L705-N707 VanDerWaalsContact C-N 3.3Å; L705-N707 PolarHBondContact O-N 3.15Å; N707-L710 PolarHBondContact O-N 2.92Å; N707-F711 PolarHBondContact O-N 3.23Å
708E89.7Confident89.5Confident41 Ų4159.3 Ų59.319%0.19232%0.316CS..Hα-helixtrans-70.8-32.5179.5-71.5-61129.900113.7P704 L705 L710 G712 S713 L714 F735P704-E708 PolarHBondContact O-N 3.08Å; L705-E708 PolarHBondContact O-N 3.27Å; E708-L710 VanDerWaalsContact C-N 3.35Å; E708-G712 CarbonylContact O-C 3.6Å; E708-G712 VanDerWaalsContact O-C 3.26Å; E708-G712 VanDerWaalsContact O-CA 3.29Å; E708-G712 WeakPolarHBondContact O-CA 3.43Å; E708-G712 PolarHBondContact O-N 3.34Å; E708-G712 WeakPolarHBondContact OE2-CA 3.45Å; E708-S713 PolarHBondContact OE2-N 3.34Å; E708-S713 PolarHBondContact OE2-OG 2.99Å; E708-L714 HydrophobicContact CB-CB 4.29Å; E708-L714 HydrophobicContact CB-CD1 3.69Å; E708-L714 HydrophobicContact CB-CG 3.98Å; E708-L714 PolarHBondContact O-N 3.29Å; E708-F735 HydrophobicContact CB-CD1 4.41Å; E708-F735 HydrophobicContact CB-CE1 4.34Å; E708-F735 HydrophobicContact CG-CD1 3.94Å; E708-F735 HydrophobicContact CG-CD2 3.82Å; E708-F735 HydrophobicContact CG-CE1 3.77Å; E708-F735 HydrophobicContact CG-CE2 3.64Å; E708-F735 HydrophobicContact CG-CG 3.96Å; E708-F735 HydrophobicContact CG-CZ 3.61Å
709L88.7Confident89.4Confident26 Ų2656.2 Ų56.214%0.13630%0.302CS..Hα-helixtrans-70.3-29.5176-77.5167000113.1L662 K665 V667 L705 L714L662-L709 HydrophobicContact CD2-CD1 3.79Å; K665-L709 HydrophobicContact CB-CD2 4.23Å; K665-L709 HydrophobicContact CD-CD1 4Å; K665-L709 HydrophobicContact CD-CD2 3.81Å; K665-L709 HydrophobicContact CD-CG 4.46Å; V667-L709 HydrophobicContact CG2-CD2 3.7Å; L705-L709 WeakPolarHBondContact O-CB 3.41Å; L705-L709 VanDerWaalsContact O-CG 3.27Å; L705-L709 WeakPolarHBondContact O-CG 3.42Å; L705-L709 PolarHBondContact O-N 3.38Å; L709-L714 HydrophobicContact CD2-CB 4.06Å; L709-L714 HydrophobicContact CG-CB 4.43Å
710L86Confident89.4Confident115 Ų11553.1 Ų53.160%0.60229%0.285SS*.Hα-helixtrans-94-39.2-177.9-70.6174.1000112.8A706 N707 E708A706-L710 WeakPolarHBondContact O-CG 3.46Å; A706-L710 PolarHBondContact O-N 3.08Å; N707-L710 PolarHBondContact O-N 2.92Å; E708-L710 VanDerWaalsContact C-N 3.35Å
711F88.8Confident89.3Confident163 Ų16353.5 Ų53.572%0.71529%0.289SS*.Hα-helixtrans-131.9-5.7-168.5-50-62.5000114N707N707-F711 PolarHBondContact O-N 3.23Å
712G86.6Confident89.4Confident27 Ų2753.6 Ų53.628%0.27829%0.29SS..SBendtrans-113.7-150.7-169.200000114E708 L714 V715E708-G712 CarbonylContact O-C 3.6Å; E708-G712 VanDerWaalsContact O-C 3.26Å; E708-G712 VanDerWaalsContact O-CA 3.29Å; E708-G712 WeakPolarHBondContact O-CA 3.43Å; E708-G712 PolarHBondContact O-N 3.34Å; E708-G712 WeakPolarHBondContact OE2-CA 3.45Å; G712-L714 PolarHBondContact O-N 2.82Å; G712-V715 VanDerWaalsContact O-CG2 3.23Å; G712-V715 WeakPolarHBondContact O-CG2 3.41Å
713S84.7Confident89.5Confident40 Ų4051.9 Ų51.928%0.2829%0.29SS..THydrogen-bonded Turntrans-73.4-10.4-172.355.50000114.7E708 F735 S737E708-S713 PolarHBondContact OE2-N 3.34Å; E708-S713 PolarHBondContact OE2-OG 2.99Å; S713-F735 WeakPolarHBondContact OG-CB 3.42Å; S713-S737 WeakPolarHBondContact O-CA 3.4Å; S713-S737 WeakPolarHBondContact O-CB 3.39Å
714L87.1Confident89.5Confident1 Ų146.2 Ų46.21%0.00527%0.266CS..THydrogen-bonded Turntrans-105.56-175-57.6175000113.7V667 L705 E708 L709 G712 D716 G717 V720 F735V667-L714 HydrophobicContact CG1-CD1 4.23Å; V667-L714 HydrophobicContact CG1-CD2 4.31Å; V667-L714 HydrophobicContact CG2-CB 4.12Å; V667-L714 HydrophobicContact CG2-CD2 4.43Å; L705-L714 HydrophobicContact CD2-CD1 4.17Å; E708-L714 HydrophobicContact CB-CB 4.29Å; E708-L714 HydrophobicContact CB-CD1 3.69Å; E708-L714 HydrophobicContact CB-CG 3.98Å; E708-L714 PolarHBondContact O-N 3.29Å; L709-L714 HydrophobicContact CD2-CB 4.06Å; L709-L714 HydrophobicContact CG-CB 4.43Å; G712-L714 PolarHBondContact O-N 2.82Å; L714-D716 VanDerWaalsContact C-N 3.25Å; L714-D716 PolarHBondContact O-N 3.21Å; L714-G717 PolarHBondContact O-N 2.86Å; L714-V720 HydrophobicContact CD1-CG2 3.32Å; L714-V720 HydrophobicContact CD2-CG2 3.83Å; L714-V720 HydrophobicContact CG-CG2 4.19Å; L714-F735 HydrophobicContact CD1-CD1 3.87Å; L714-F735 HydrophobicContact CD1-CE1 4.29Å; L714-F735 HydrophobicContact CG-CD1 4.38Å
715V86.2Confident89.6Confident78 Ų7846.9 Ų46.947%0.47327%0.268SS..THydrogen-bonded Turntrans-55.2-41.7-178.9173.30000111.7G712G712-V715 VanDerWaalsContact O-CG2 3.23Å; G712-V715 WeakPolarHBondContact O-CG2 3.41Å
716D85.4Confident89.3Confident112 Ų11253.5 Ų53.560%0.59930%0.297SS*.THydrogen-bonded Turntrans-9819.2178.1-63.8-30.8000113.1L714 Q739L714-D716 VanDerWaalsContact C-N 3.25Å; L714-D716 PolarHBondContact O-N 3.21Å; D716-Q739 PolarHBondContact OD2-NE2 3.49Å
717G86.6Confident89.1Confident1 Ų156 Ų561%0.0132%0.317CS..  trans83.7172.3-171.700000114G666 L714 A738G666-G717 WeakPolarHBondContact O-CA 3.37Å; L714-G717 PolarHBondContact O-N 2.86Å; G717-A738 WeakPolarHBondContact O-CB 3.49Å; G717-A738 PolarHBondContact O-N 2.76Å
718G90.7Very high89Confident11 Ų1158.2 Ų58.211%0.11332%0.322CS..EExtended strand (participates in β ladder)trans159.4-162-174.500000114.8G666 V667 S668 Q736G666-G718 PolarHBondContact O-N 3.43Å; V667-G718 CarbonylContact C-O 3.5Å; V667-G718 VanDerWaalsContact CA-O 3.27Å; V667-G718 WeakPolarHBondContact CA-O 3.49Å; S668-G718 PolarHBondContact N-O 3.36Å; S668-G718 PolarHBondContact OG-O 3.39Å; G718-Q736 CarbonylContact C-O 3.51Å; G718-Q736 WeakPolarHBondContact CA-O 3.18Å
719Q91.1Very high89Confident52 Ų5260.1 Ų60.124%0.24333%0.334CS..EExtended strand (participates in β ladder)trans-122.4140.3176-177.7170.85.400110.7S668 E670 T721 Q736S668-Q719 CarbonylContact O-C 3.55Å; S668-Q719 WeakPolarHBondContact O-CA 3.42Å; S668-Q719 WeakPolarHBondContact OG-CA 3.46Å; S668-Q719 WeakPolarHBondContact OG-CB 3.4Å; S668-Q719 WeakPolarHBondContact OG-CG 3.37Å; E670-Q719 PolarHBondContact OE2-NE2 3.36Å; Q719-T721 HydrophobicContact CG-CG2 4.5Å; Q719-Q736 PolarHBondContact N-O 3.47Å; Q719-Q736 PolarHBondContact O-N 2.69Å
720V92.3Very high89.1Confident0 Ų064.6 Ų64.60%035%0.354CS..EExtended strand (participates in β ladder)trans-121.3125.4173.7-171.30000109.5V667 S668 L669 E670 L705 L714 V722 G734 F735V667-V720 HydrophobicContact CG1-CG2 3.79Å; S668-V720 PolarHBondContact O-N 3.42Å; L669-V720 HydrophobicContact CD1-CB 4.12Å; L669-V720 HydrophobicContact CD1-CG1 4.2Å; E670-V720 PolarHBondContact N-O 3.47Å; L705-V720 HydrophobicContact CD2-CB 4.09Å; L705-V720 HydrophobicContact CD2-CG1 3.85Å; L705-V720 HydrophobicContact CD2-CG2 3.65Å; L714-V720 HydrophobicContact CD1-CG2 3.32Å; L714-V720 HydrophobicContact CD2-CG2 3.83Å; L714-V720 HydrophobicContact CG-CG2 4.19Å; V720-V722 HydrophobicContact CG1-CG2 4.18Å; V720-G734 WeakPolarHBondContact CA-O 3.41Å; V720-F735 HydrophobicContact CB-CD1 4.29Å; V720-F735 HydrophobicContact CG1-CD1 3.68Å; V720-F735 HydrophobicContact CG1-CE1 3.62Å; V720-F735 HydrophobicContact CG2-CD1 3.82Å; V720-F735 HydrophobicContact CG2-CE1 4.23Å
721T92.9Very high89.5Confident54 Ų5459.7 Ų59.733%0.33133%0.328SS..EExtended strand (participates in β ladder)trans-108.3132.2169.958.90000109.7E670 Q719 Y733 G734E670-T721 HydrophobicContact CB-CG2 4.31Å; E670-T721 CarbonylContact O-C 3.49Å; E670-T721 WeakPolarHBondContact O-CA 3.46Å; Q719-T721 HydrophobicContact CG-CG2 4.5Å; T721-Y733 CarbonylContact O-C 3.57Å; T721-Y733 WeakPolarHBondContact O-CA 3.47Å; T721-G734 PolarHBondContact N-O 3.36Å; T721-G734 PolarHBondContact O-N 3.3Å
722V94.5Very high89.7Confident3 Ų354.9 Ų54.92%0.01831%0.312CS..EExtended strand (participates in β ladder)trans-117121179.1-173.70000109.2L669 E670 V671 S672 A675 L701 V720 L731 T732 Y733L669-V722 HydrophobicContact CD1-CG2 3.74Å; E670-V722 PolarHBondContact O-N 3.41Å; V671-V722 HydrophobicContact CG1-CB 4.36Å; V671-V722 HydrophobicContact CG2-CB 4.33Å; V671-V722 HydrophobicContact CG2-CG2 4.47Å; S672-V722 PolarHBondContact N-O 2.87Å; A675-V722 HydrophobicContact CB-CG1 4.31Å; L701-V722 HydrophobicContact CD2-CB 4.45Å; L701-V722 HydrophobicContact CD2-CG1 3.89Å; L701-V722 HydrophobicContact CD2-CG2 4.07Å; V720-V722 HydrophobicContact CG1-CG2 4.18Å; V722-L731 HydrophobicContact CG1-CB 4.24Å; V722-L731 HydrophobicContact CG1-CD1 4.09Å; V722-L731 HydrophobicContact CG1-CD2 4.47Å; V722-T732 WeakPolarHBondContact CA-O 3.19Å; V722-Y733 HydrophobicContact CG1-CD1 4.26Å; V722-Y733 HydrophobicContact CG1-CE1 4.19Å; V722-Y733 HydrophobicContact CG2-CD1 4.02Å; V722-Y733 HydrophobicContact CG2-CE1 4.47Å
723A94.3Very high90Very high40 Ų4056.8 Ų56.833%0.33131%0.311SS..EExtended strand (participates in β ladder)trans-127.6166.7-179.800000111.4L731 T732A723-L731 CarbonylContact O-C 3.58Å; A723-L731 WeakPolarHBondContact O-CA 3.39Å; A723-T732 PolarHBondContact N-O 3.39Å; A723-T732 PolarHBondContact O-N 3.1Å; A723-T732 PolarHBondContact O-OG1 3.08Å; A723-T732 VanDerWaalsContact O-OG1 3.13Å
724L94Very high90.3Very high30 Ų3056.2 Ų56.216%0.15731%0.312CS..EExtended strand (participates in β ladder)trans-101.9123.1177.9179.267.1000110.2E674 W678 K726 L731E674-L724 HydrophobicContact CB-CB 4.02Å; E674-L724 HydrophobicContact CB-CD2 4.28Å; W678-L724 HydrophobicContact CB-CD1 3.98Å; W678-L724 HydrophobicContact CB-CD2 4.19Å; W678-L724 VanDerWaalsContact CD1-CD1 3.41Å; W678-L724 HydrophobicContact CD2-CD1 4.36Å; W678-L724 HydrophobicContact CG-CD1 3.67Å; L724-K726 HydrophobicContact CD2-CG 4.31Å; L724-K726 PolarHBondContact O-N 3.39Å; L724-L731 HydrophobicContact CD1-CD2 4.14Å
725D91.8Very high90.6Very high47 Ų4759.1 Ų59.125%0.25133%0.325SS..EExtended strand (participates in β ladder)trans-81.2101.1163.8-177.9-14000108.7A727 K728 N729 E730 T732D725-A727 PolarHBondContact O-N 2.69Å; D725-A727 WeakPolarHBondContact OD1-CB 3.45Å; D725-A727 PolarHBondContact OD1-N 3.17Å; D725-K728 HydrophobicContact CB-CB 4.47Å; D725-K728 PolarHBondContact O-N 3.14Å; D725-K728 PolarHBondContact OD1-N 2.73Å; D725-K728 WeakPolarHBondContact OD2-CD 3.35Å; D725-N729 WeakPolarHBondContact O-CA 3.48Å; D725-N729 PolarHBondContact O-N 2.91Å; D725-E730 PolarHBondContact N-O 3.17Å; D725-E730 PolarHBondContact O-N 3.01Å; D725-T732 HydrophobicContact CB-CG2 3.78Å
726K86.6Confident90.6Very high143 Ų14359.4 Ų59.462%0.62232%0.321SS*.THydrogen-bonded Turntrans-61.6-25.6-179.5-67.9-178.5-176.3169.90113.5E674 L724E674-K726 VanDerWaalsContact CD-CE 3.46Å; E674-K726 WeakPolarHBondContact OE1-CE 3.4Å; E674-K726 IonicContact OE1-NZ 2.69Å; E674-K726 PolarHBondContact OE1-NZ 3.38Å; E674-K726 IonicContact OE2-NZ 3.86Å; L724-K726 HydrophobicContact CD2-CG 4.31Å; L724-K726 PolarHBondContact O-N 3.39Å
727A85.1Confident90.6Very high95 Ų9555.5 Ų55.579%0.78530%0.302SS*.THydrogen-bonded Turntrans-77.8-37.9-178.300000111.6D725D725-A727 PolarHBondContact O-N 2.69Å; D725-A727 WeakPolarHBondContact OD1-CB 3.45Å; D725-A727 PolarHBondContact OD1-N 3.17Å
728K86.5Confident90.1Very high143 Ų14357.2 Ų57.262%0.62232%0.317SS*.THydrogen-bonded Turntrans-92.6-15.4177.9-64.9-177.7-175.5174.20113.8D725 E730D725-K728 HydrophobicContact CB-CB 4.47Å; D725-K728 PolarHBondContact O-N 3.14Å; D725-K728 PolarHBondContact OD1-N 2.73Å; D725-K728 WeakPolarHBondContact OD2-CD 3.35Å; K728-E730 VanDerWaalsContact C-N 3.26Å; K728-E730 HydrophobicContact CB-CB 4.32Å; K728-E730 HydrophobicContact CB-CG 4.4Å; K728-E730 PolarHBondContact O-N 3.46Å
729N89Confident89Confident81 Ų8162.9 Ų62.943%0.43334%0.34SS..THydrogen-bonded Turntrans58.138.5-172.5-162.726.2000112.8W678 D725W678-N729 PolarHBondContact NE1-O 3.01Å; W678-N729 VanDerWaalsContact NE1-O 3.12Å; W678-N729 PolarHBondContact NE1-OD1 3.24Å; D725-N729 WeakPolarHBondContact O-CA 3.48Å; D725-N729 PolarHBondContact O-N 2.91Å
730E91Very high87.4Confident120 Ų12066.5 Ų66.556%0.56136%0.355SS*.EExtended strand (participates in β ladder)trans-129.6151.8-177.4-70.5178.8168.200110.5D725 K728D725-E730 PolarHBondContact N-O 3.17Å; D725-E730 PolarHBondContact O-N 3.01Å; K728-E730 VanDerWaalsContact C-N 3.26Å; K728-E730 HydrophobicContact CB-CB 4.32Å; K728-E730 HydrophobicContact CB-CG 4.4Å; K728-E730 PolarHBondContact O-N 3.46Å
731L93.5Very high85.5Confident13 Ų1370.8 Ų70.87%0.06838%0.375CS..EExtended strand (participates in β ladder)trans-75.1142.1173.8-62.2-175.1000110.6A675 W678 L679 N700 L701 V722 A723 L724 Y733A675-L731 HydrophobicContact CB-CD2 3.68Å; W678-L731 HydrophobicContact CD2-CD2 4.21Å; W678-L731 HydrophobicContact CD2-CG 4.41Å; W678-L731 HydrophobicContact CE3-CD1 4.04Å; W678-L731 HydrophobicContact CE3-CD2 3.93Å; W678-L731 HydrophobicContact CE3-CG 3.85Å; W678-L731 HydrophobicContact CG-CD2 4.49Å; W678-L731 HydrophobicContact CZ3-CD1 3.97Å; W678-L731 HydrophobicContact CZ3-CG 3.92Å; L679-L731 HydrophobicContact CD2-CD1 4.06Å; L679-L731 HydrophobicContact CG-CD1 4.38Å; N700-L731 HydrophobicContact CB-CD1 4.02Å; L701-L731 HydrophobicContact CD2-CD1 4.19Å; V722-L731 HydrophobicContact CG1-CB 4.24Å; V722-L731 HydrophobicContact CG1-CD1 4.09Å; V722-L731 HydrophobicContact CG1-CD2 4.47Å; A723-L731 CarbonylContact O-C 3.58Å; A723-L731 WeakPolarHBondContact O-CA 3.39Å; L724-L731 HydrophobicContact CD1-CD2 4.14Å; L731-Y733 HydrophobicContact CB-CE1 4.36Å; L731-Y733 HydrophobicContact CB-CE2 4.43Å; L731-Y733 WeakPolarHBondContact O-CE2 3.33Å
732T92.9Very high83.7Confident61 Ų6176.2 Ų76.237%0.37439%0.394SS..EExtended strand (participates in β ladder)trans-116.5145.1175.151.80000109.3V722 A723 D725V722-T732 WeakPolarHBondContact CA-O 3.19Å; A723-T732 PolarHBondContact N-O 3.39Å; A723-T732 PolarHBondContact O-N 3.1Å; A723-T732 PolarHBondContact O-OG1 3.08Å; A723-T732 VanDerWaalsContact O-OG1 3.13Å; D725-T732 HydrophobicContact CB-CG2 3.78Å
733Y94Very high81.7Confident67 Ų6778.9 Ų78.926%0.26342%0.416SS..EExtended strand (participates in β ladder)trans-124.6120.7-171.6-46.1-91.1000109.4N700 L701 P704 T721 V722 L731 F735N700-Y733 WeakPolarHBondContact O-CE1 3.36Å; N700-Y733 VanDerWaalsContact O-CZ 3.28Å; N700-Y733 PolarHBondContact O-OH 3.39Å; L701-Y733 HydrophobicContact CD2-CE1 4.45Å; P704-Y733 HydrophobicContact CB-CD1 4.26Å; P704-Y733 HydrophobicContact CB-CD2 4.48Å; P704-Y733 HydrophobicContact CB-CE1 4.01Å; P704-Y733 HydrophobicContact CB-CE2 4.26Å; P704-Y733 HydrophobicContact CG-CE1 3.94Å; P704-Y733 HydrophobicContact CG-CE2 4.09Å; T721-Y733 CarbonylContact O-C 3.57Å; T721-Y733 WeakPolarHBondContact O-CA 3.47Å; V722-Y733 HydrophobicContact CG1-CD1 4.26Å; V722-Y733 HydrophobicContact CG1-CE1 4.19Å; V722-Y733 HydrophobicContact CG2-CD1 4.02Å; V722-Y733 HydrophobicContact CG2-CE1 4.47Å; L731-Y733 HydrophobicContact CB-CE1 4.36Å; L731-Y733 HydrophobicContact CB-CE2 4.43Å; L731-Y733 WeakPolarHBondContact O-CE2 3.33Å; Y733-F735 HydrophobicContact CD1-CZ 4.47Å; Y733-F735 HydrophobicContact CG-CE2 4.49Å; Y733-F735 AromaticContact CG-CZ 3.97Å; Y733-F735 HydrophobicContact CG-CZ 3.97Å
734G91.4Very high79.8Confident29 Ų2982.3 Ų82.330%0.29943%0.426SS..EExtended strand (participates in β ladder)trans-99.9111.3170.600000109.6V720 T721V720-G734 WeakPolarHBondContact CA-O 3.41Å; T721-G734 PolarHBondContact N-O 3.36Å; T721-G734 PolarHBondContact O-N 3.3Å
735F91.7Very high77.9Confident62 Ų6284.5 Ų84.527%0.27245%0.448SS..EExtended strand (participates in β ladder)trans-102.6130.6178.3-52-70.7000111L705 E708 S713 L714 V720 Y733L705-F735 HydrophobicContact CD2-CE1 4.2Å; E708-F735 HydrophobicContact CB-CD1 4.41Å; E708-F735 HydrophobicContact CB-CE1 4.34Å; E708-F735 HydrophobicContact CG-CD1 3.94Å; E708-F735 HydrophobicContact CG-CD2 3.82Å; E708-F735 HydrophobicContact CG-CE1 3.77Å; E708-F735 HydrophobicContact CG-CE2 3.64Å; E708-F735 HydrophobicContact CG-CG 3.96Å; E708-F735 HydrophobicContact CG-CZ 3.61Å; S713-F735 WeakPolarHBondContact OG-CB 3.42Å; L714-F735 HydrophobicContact CD1-CD1 3.87Å; L714-F735 HydrophobicContact CD1-CE1 4.29Å; L714-F735 HydrophobicContact CG-CD1 4.38Å; V720-F735 HydrophobicContact CB-CD1 4.29Å; V720-F735 HydrophobicContact CG1-CD1 3.68Å; V720-F735 HydrophobicContact CG1-CE1 3.62Å; V720-F735 HydrophobicContact CG2-CD1 3.82Å; V720-F735 HydrophobicContact CG2-CE1 4.23Å; Y733-F735 HydrophobicContact CD1-CZ 4.47Å; Y733-F735 HydrophobicContact CG-CE2 4.49Å; Y733-F735 AromaticContact CG-CZ 3.97Å; Y733-F735 HydrophobicContact CG-CZ 3.97Å
736Q87.1Confident76Confident83 Ų8386.5 Ų86.539%0.38847%0.471SS..EExtended strand (participates in β ladder)trans-129.5122.1177.1-66.4-177.1-8.500109.9G718 Q719G718-Q736 CarbonylContact C-O 3.51Å; G718-Q736 WeakPolarHBondContact CA-O 3.18Å; Q719-Q736 PolarHBondContact N-O 3.47Å; Q719-Q736 PolarHBondContact O-N 2.69Å
737S84.9Confident73.8Confident30 Ų3090.4 Ų90.421%0.2149%0.491CS..EExtended strand (participates in β ladder)trans-77.3147.5-179.972.20000112S713 Q739 K740 H741S713-S737 WeakPolarHBondContact O-CA 3.4Å; S713-S737 WeakPolarHBondContact O-CB 3.39Å; S737-Q739 PolarHBondContact O-N 3.48Å; S737-K740 PolarHBondContact O-N 3Å; S737-K740 WeakPolarHBondContact OG-CB 3.45Å; S737-K740 PolarHBondContact OG-N 3.19Å; S737-H741 PolarHBondContact O-N 3.29Å; S737-H741 VanDerWaalsContact O-N 3.09Å
738A76.4Confident73.2Confident37 Ų3790.2 Ų90.231%0.30648%0.476SS..Hα-helixtrans-59-33.3176.800000113G717 K742G717-A738 WeakPolarHBondContact O-CB 3.49Å; G717-A738 PolarHBondContact O-N 2.76Å; A738-K742 PolarHBondContact O-N 3.03Å
739Q67.8Low72.5Confident130 Ų13087.4 Ų87.461%0.60747%0.468SS*.Hα-helixtrans-66.9-42.7177.3-63.6-171.55.700112.1D716 S737 K742 A743D716-Q739 PolarHBondContact OD2-NE2 3.49Å; S737-Q739 PolarHBondContact O-N 3.48Å; Q739-K742 PolarHBondContact O-N 3.13Å; Q739-A743 PolarHBondContact O-N 3.46Å
740K58.5Low71.6Confident129 Ų12987.8 Ų87.856%0.56147%0.47SS*.Hα-helixtrans-69.6-38.1-179.4-154.6-179.2-174.8-170.40111.3S737 K742 A743 E744S737-K740 PolarHBondContact O-N 3Å; S737-K740 WeakPolarHBondContact OG-CB 3.45Å; S737-K740 PolarHBondContact OG-N 3.19Å; K740-K742 VanDerWaalsContact C-N 3.31Å; K740-K742 PolarHBondContact O-N 3.03Å; K740-A743 PolarHBondContact O-N 3.12Å; K740-A743 VanDerWaalsContact O-N 3.15Å; K740-E744 PolarHBondContact O-N 3Å
741H52.2Low70.5Confident89 Ų8985.9 Ų85.941%0.41247%0.465SS..Hα-helixtrans-66.1-31.6177.6-151-57.7000112.8S737 A745S737-H741 PolarHBondContact O-N 3.29Å; S737-H741 VanDerWaalsContact O-N 3.09Å; H741-A745 VanDerWaalsContact O-CB 3.27Å; H741-A745 WeakPolarHBondContact O-CB 3.25Å; H741-A745 PolarHBondContact O-N 3.02Å
742K54.7Low69Low169 Ų16990.4 Ų90.474%0.73549%0.49SS*.Hα-helixtrans-70.5-36.4171.1-78.9-176.2179.41760112.9A738 Q739 K740 A746A738-K742 PolarHBondContact O-N 3.03Å; Q739-K742 PolarHBondContact O-N 3.13Å; K740-K742 VanDerWaalsContact C-N 3.31Å; K740-K742 PolarHBondContact O-N 3.03Å; K742-A746 WeakPolarHBondContact O-CB 3.31Å; K742-A746 PolarHBondContact O-N 3Å
743A53.3Low67.4Low59 Ų5992.4 Ų92.449%0.48850%0.498SS..Hα-helixtrans-70.4-38.4177.300000112.1Q739 K740 H747Q739-A743 PolarHBondContact O-N 3.46Å; K740-A743 PolarHBondContact O-N 3.12Å; K740-A743 VanDerWaalsContact O-N 3.15Å; A743-H747 PolarHBondContact O-N 2.84Å
744E54.2Low65.5Low112 Ų11294.2 Ų94.252%0.52351%0.514SS..Hα-helixtrans-73.7-33.2176.8-73.4175.9-174.300112.8K740 A746K740-E744 PolarHBondContact O-N 3Å; E744-A746 VanDerWaalsContact C-N 3.33Å
745A53.5Low63.5Low76 Ų7699.2 Ų99.263%0.62853%0.531SS*.Hα-helixtrans-78.2-15.6175.800000114.1H741H741-A745 VanDerWaalsContact O-CB 3.27Å; H741-A745 WeakPolarHBondContact O-CB 3.25Å; H741-A745 PolarHBondContact O-N 3.02Å
746A52.6Low61.2Low88 Ų88102.3 Ų102.373%0.72755%0.553SS**  trans-87.4-15.4174.700000113.1K742 E744K742-A746 WeakPolarHBondContact O-CB 3.31Å; K742-A746 PolarHBondContact O-N 3Å; E744-A746 VanDerWaalsContact C-N 3.33Å
747H39.1Very low58.8Low226 Ų226104.1 Ų104.1100%1.04657%0.568SS**  trans-90.20168.7-91.6-53.5000110.7A743A743-H747 PolarHBondContact O-N 2.84Å

Retrieved 747 of 747 residues in 254.8 ms (Link to these results)

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