A0A087Y4Q2_POEFO Loading...

Harmonin

Anchoring/scaffolding protein that is a part of the functional network formed by USH1C, USH1G, CDH23 and MYO7A that mediates mechanotransduction in cochlear hair cells. Required for normal development and maintenance of cochlear hair cell bundles. As part of the intermicrovillar adhesion complex/IMAC plays a role in brush border differentiation, controlling microvilli organization and length. Probably plays a central regulatory role in the assembly of the complex, recruiting CDHR2, CDHR5 and MYO7B to the microvilli tips.

AlphaFold DB , UniProt , Accession A0A087Y4Q2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 554 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
1M56.4Low83.5Confident197 Ų197115.5 Ų115.597%0.9751%0.51SS*.  0-38.30-167.5170.4-78.100110.4R3 K4M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.69Å; M1-K4 PolarHBondContact O-N 3.48Å; M1-K4 VanDerWaalsContact O-N 3.11Å
2E67.3Low84.4Confident147 Ų147112.3 Ų112.369%0.68750%0.496SS*.Hα-helixtrans-54.1-40.5-173.2-50.387.2169.900113.8K4 V5 A6E2-K4 PolarHBondContact O-N 3.26Å; E2-V5 PolarHBondContact O-N 3.1Å; E2-V5 VanDerWaalsContact O-N 3.08Å; E2-A6 WeakPolarHBondContact O-CB 3.37Å; E2-A6 PolarHBondContact O-N 3.19Å
3R78.5Confident85.1Confident228 Ų228103.7 Ų103.786%0.8646%0.458SS*.Hα-helixtrans-59.2-19.3-179.4-69-171.7-178.7-177.20.5114.7M1M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.69Å
4K85.6Confident85.8Confident135 Ų135104.1 Ų104.159%0.58746%0.462SS*.Hα-helixtrans-84.4-53.1170.6179.7174.6170.2177.30110.3M1 E2 A6 R7 E8M1-K4 PolarHBondContact O-N 3.48Å; M1-K4 VanDerWaalsContact O-N 3.11Å; E2-K4 PolarHBondContact O-N 3.26Å; K4-A6 VanDerWaalsContact C-N 3.33Å; K4-A6 PolarHBondContact O-N 2.73Å; K4-R7 WeakPolarHBondContact O-CA 3.41Å; K4-R7 WeakPolarHBondContact O-CB 3.27Å; K4-R7 PolarHBondContact O-N 3.43Å; K4-E8 WeakPolarHBondContact CE-OE1 3.33Å; K4-E8 HydrophobicContact CG-CG 4.46Å; K4-E8 IonicContact NZ-OE1 2.63Å; K4-E8 PolarHBondContact O-N 2.89Å
5V86.1Confident86.3Confident32 Ų32104.8 Ų104.819%0.19447%0.471CS..Hα-helixtrans-53.8-47.4178.5-178.60000111.8E2 R7 E8 F9 P64 L65E2-V5 PolarHBondContact O-N 3.1Å; E2-V5 VanDerWaalsContact O-N 3.08Å; V5-R7 PolarHBondContact O-N 2.92Å; V5-E8 PolarHBondContact O-N 3.04Å; V5-F9 WeakPolarHBondContact O-CB 3.44Å; V5-F9 PolarHBondContact O-N 2.91Å; V5-P64 HydrophobicContact CG1-CB 3.75Å; V5-L65 HydrophobicContact CG1-CD2 3.84Å
6A85.1Confident86.8Confident28 Ų28100.3 Ų100.323%0.23145%0.452CS..Hα-helixtrans-66.5-22.4178.400000113.6E2 K4 R10E2-A6 WeakPolarHBondContact O-CB 3.37Å; E2-A6 PolarHBondContact O-N 3.19Å; K4-A6 VanDerWaalsContact C-N 3.33Å; K4-A6 PolarHBondContact O-N 2.73Å; A6-R10 WeakPolarHBondContact O-CG 3.49Å; A6-R10 PolarHBondContact O-N 3.18Å; A6-R10 PolarHBondContact O-NH1 3.18Å
7R88.8Confident87.1Confident174 Ų17494.4 Ų94.466%0.65743%0.426SS*.Hα-helixtrans-80.6-45173.7-169.2-166.9-54.7-171.6-1.3110.8K4 V5 F9 R10 H11K4-R7 WeakPolarHBondContact O-CA 3.41Å; K4-R7 WeakPolarHBondContact O-CB 3.27Å; K4-R7 PolarHBondContact O-N 3.43Å; V5-R7 PolarHBondContact O-N 2.92Å; R7-F9 VanDerWaalsContact C-N 3.27Å; R7-F9 PolarHBondContact O-N 2.95Å; R7-R10 PolarHBondContact O-N 2.96Å; R7-H11 WeakPolarHBondContact O-CB 3.37Å; R7-H11 PolarHBondContact O-N 3.25Å
8E90.6Very high87.3Confident98 Ų9896.8 Ų96.846%0.45844%0.438SS..Hα-helixtrans-64.3-33.3175.8-67.9171.6158.100111.8K4 V5 K12K4-E8 WeakPolarHBondContact CE-OE1 3.33Å; K4-E8 HydrophobicContact CG-CG 4.46Å; K4-E8 IonicContact NZ-OE1 2.63Å; K4-E8 PolarHBondContact O-N 2.89Å; V5-E8 PolarHBondContact O-N 3.04Å; E8-K12 WeakPolarHBondContact O-CG 3Å; E8-K12 PolarHBondContact O-N 2.73Å
9F93.8Very high87.6Confident12 Ų1296.3 Ų96.35%0.05344%0.439CS..Hα-helixtrans-66.2-54.7171.1174-115.8000112.1V5 R7 H11 K12 V13 L26 Y27 L30 L58 A61 I62 L65V5-F9 WeakPolarHBondContact O-CB 3.44Å; V5-F9 PolarHBondContact O-N 2.91Å; R7-F9 VanDerWaalsContact C-N 3.27Å; R7-F9 PolarHBondContact O-N 2.95Å; F9-H11 VanDerWaalsContact C-N 3.31Å; F9-H11 PolarHBondContact O-N 2.77Å; F9-K12 WeakPolarHBondContact O-CB 3.4Å; F9-K12 PolarHBondContact O-N 3.46Å; F9-V13 HydrophobicContact CD2-CG2 4.2Å; F9-V13 HydrophobicContact CE1-CG2 4.03Å; F9-V13 HydrophobicContact CE2-CG2 3.6Å; F9-V13 HydrophobicContact CZ-CG2 3.5Å; F9-V13 PolarHBondContact O-N 3.22Å; F9-L26 HydrophobicContact CZ-CD2 4.19Å; F9-L26 HydrophobicContact CZ-CG 4.41Å; F9-Y27 HydrophobicContact CD1-CE1 4.46Å; F9-Y27 HydrophobicContact CE1-CD1 4.15Å; F9-Y27 AromaticContact CE1-CE1 3.78Å; F9-Y27 HydrophobicContact CE1-CE1 3.78Å; F9-L30 HydrophobicContact CE1-CD1 3.59Å; F9-L30 HydrophobicContact CE2-CD1 4.44Å; F9-L30 HydrophobicContact CZ-CD1 3.41Å; F9-L30 VanDerWaalsContact CZ-CD1 3.41Å; F9-L58 HydrophobicContact CE2-CD2 4.49Å; F9-A61 HydrophobicContact CD2-CB 3.96Å; F9-I62 HydrophobicContact CD2-CG1 4.25Å; F9-I62 HydrophobicContact CE2-CD1 4.28Å; F9-I62 HydrophobicContact CE2-CG1 3.49Å; F9-I62 VanDerWaalsContact CE2-CG1 3.49Å; F9-I62 HydrophobicContact CZ-CG1 4.02Å; F9-L65 HydrophobicContact CD1-CD1 3.85Å; F9-L65 HydrophobicContact CD2-CD1 4.34Å; F9-L65 HydrophobicContact CE1-CD1 4.11Å; F9-L65 HydrophobicContact CG-CD1 3.98Å
10R92.6Very high87.7Confident115 Ų11597.4 Ų97.443%0.43445%0.445SS..Hα-helixtrans-57.2-43.2179.1-76.1-165.2-62.5-83.81.6112.6A6 R7 K12 V13 E14 Y27A6-R10 WeakPolarHBondContact O-CG 3.49Å; A6-R10 PolarHBondContact O-N 3.18Å; A6-R10 PolarHBondContact O-NH1 3.18Å; R7-R10 PolarHBondContact O-N 2.96Å; R10-K12 VanDerWaalsContact C-N 3.28Å; R10-K12 PolarHBondContact O-N 3.05Å; R10-V13 WeakPolarHBondContact O-CA 3.46Å; R10-V13 WeakPolarHBondContact O-CB 3.42Å; R10-V13 PolarHBondContact O-N 2.94Å; R10-E14 VanDerWaalsContact O-CG 3.31Å; R10-E14 WeakPolarHBondContact O-CG 3.37Å; R10-E14 PolarHBondContact O-N 2.63Å; R10-Y27 HydrophobicContact CG-CE1 4.12Å; R10-Y27 WeakPolarHBondContact CG-OH 3.39Å
11H94.1Very high87.7Confident104 Ų10495.8 Ų95.848%0.48145%0.449SS..Hα-helixtrans-60.6-35.5176.4-174.747.8000113.1R7 F9 E14 L15R7-H11 WeakPolarHBondContact O-CB 3.37Å; R7-H11 PolarHBondContact O-N 3.25Å; F9-H11 VanDerWaalsContact C-N 3.31Å; F9-H11 PolarHBondContact O-N 2.77Å; H11-E14 WeakPolarHBondContact CA-OE2 3.5Å; H11-E14 IonicContact ND1-OE2 2.67Å; H11-L15 WeakPolarHBondContact O-CB 3.33Å; H11-L15 VanDerWaalsContact O-CG 3.26Å; H11-L15 WeakPolarHBondContact O-CG 3.49Å; H11-L15 PolarHBondContact O-N 3.19Å; H11-L15 VanDerWaalsContact O-N 3.12Å
12K93.5Very high89.3Confident78 Ų7888.3 Ų88.334%0.33941%0.412SS..Hα-helixtrans-71.4-31.3171.7-76178.7175.6-1770113.4E8 F9 R10 L16 L58 A61E8-K12 WeakPolarHBondContact O-CG 3Å; E8-K12 PolarHBondContact O-N 2.73Å; F9-K12 WeakPolarHBondContact O-CB 3.4Å; F9-K12 PolarHBondContact O-N 3.46Å; R10-K12 VanDerWaalsContact C-N 3.28Å; R10-K12 PolarHBondContact O-N 3.05Å; K12-L16 VanDerWaalsContact O-CB 3.28Å; K12-L16 WeakPolarHBondContact O-CB 3.42Å; K12-L16 VanDerWaalsContact O-CG 3.25Å; K12-L16 WeakPolarHBondContact O-CG 3.17Å; K12-L16 PolarHBondContact O-N 3.01Å; K12-L58 HydrophobicContact CB-CD2 4.25Å; K12-A61 HydrophobicContact CD-CB 3.46Å; K12-A61 VanDerWaalsContact CD-CB 3.46Å
13V94.5Very high90.4Very high0 Ų082.2 Ų82.20%038%0.383CS..Hα-helixtrans-66.8-48.6173.3170.80000109.8F9 R10 L15 L16 I17 K23 L26 Y27 L58F9-V13 HydrophobicContact CD2-CG2 4.2Å; F9-V13 HydrophobicContact CE1-CG2 4.03Å; F9-V13 HydrophobicContact CE2-CG2 3.6Å; F9-V13 HydrophobicContact CZ-CG2 3.5Å; F9-V13 PolarHBondContact O-N 3.22Å; R10-V13 WeakPolarHBondContact O-CA 3.46Å; R10-V13 WeakPolarHBondContact O-CB 3.42Å; R10-V13 PolarHBondContact O-N 2.94Å; V13-L15 PolarHBondContact O-N 3.12Å; V13-L16 PolarHBondContact O-N 3.29Å; V13-I17 HydrophobicContact CG1-CD1 4.2Å; V13-I17 PolarHBondContact O-N 2.76Å; V13-K23 HydrophobicContact CG1-CB 4.16Å; V13-K23 HydrophobicContact CG1-CD 4.35Å; V13-K23 HydrophobicContact CG1-CG 3.79Å; V13-L26 HydrophobicContact CG1-CD2 4.17Å; V13-L26 HydrophobicContact CG2-CD2 3.68Å; V13-Y27 WeakPolarHBondContact CG1-OH 3.42Å; V13-L58 HydrophobicContact CG2-CD2 3.94Å
14E93.9Very high90.8Very high109 Ų10976 Ų7651%0.50937%0.367SS..Hα-helixtrans-55.8-34.4175.1-68.4154.4-157.800113R10 H11R10-E14 VanDerWaalsContact O-CG 3.31Å; R10-E14 WeakPolarHBondContact O-CG 3.37Å; R10-E14 PolarHBondContact O-N 2.63Å; H11-E14 WeakPolarHBondContact CA-OE2 3.5Å; H11-E14 IonicContact ND1-OE2 2.67Å
15L94.3Very high90.8Very high115 Ų11573.9 Ų73.960%0.60236%0.356SS*.Hα-helixtrans-86.4-15.6179.7-74.8173.9000115.5H11 V13H11-L15 WeakPolarHBondContact O-CB 3.33Å; H11-L15 VanDerWaalsContact O-CG 3.26Å; H11-L15 WeakPolarHBondContact O-CG 3.49Å; H11-L15 PolarHBondContact O-N 3.19Å; H11-L15 VanDerWaalsContact O-N 3.12Å; V13-L15 PolarHBondContact O-N 3.12Å
16L93.8Very high91Very high33 Ų3372.4 Ų72.417%0.17335%0.346CS..Hα-helixtrans-123.4-16.4-170.5-63.5177.8000114.3K12 V13 R55 P57 L58K12-L16 VanDerWaalsContact O-CB 3.28Å; K12-L16 WeakPolarHBondContact O-CB 3.42Å; K12-L16 VanDerWaalsContact O-CG 3.25Å; K12-L16 WeakPolarHBondContact O-CG 3.17Å; K12-L16 PolarHBondContact O-N 3.01Å; V13-L16 PolarHBondContact O-N 3.29Å; L16-R55 WeakPolarHBondContact O-CG 3.45Å; L16-P57 HydrophobicContact CD1-CB 4.05Å; L16-P57 HydrophobicContact CD1-CG 4.27Å; L16-L58 HydrophobicContact CB-CD1 4.39Å; L16-L58 HydrophobicContact CB-CG 4.46Å; L16-L58 HydrophobicContact CD1-CD2 4.06Å; L16-L58 HydrophobicContact CD1-CG 3.96Å
17I92.8Very high91.3Very high0 Ų073.8 Ų73.80%035%0.346CS..  trans-125.2122.9175-64.9158.5000106.5V13 E22 K23 L26 V49 L58V13-I17 HydrophobicContact CG1-CD1 4.2Å; V13-I17 PolarHBondContact O-N 2.76Å; I17-E22 HydrophobicContact CG2-CB 3.53Å; I17-K23 HydrophobicContact CB-CG 4.21Å; I17-K23 HydrophobicContact CG2-CG 3.72Å; I17-K23 WeakPolarHBondContact O-CE 3.33Å; I17-L26 HydrophobicContact CD1-CD2 3.53Å; I17-V49 HydrophobicContact CD1-CG1 3.44Å; I17-V49 VanDerWaalsContact CD1-CG1 3.44Å; I17-V49 HydrophobicContact CG1-CG1 4.01Å; I17-L58 HydrophobicContact CD1-CD1 3.5Å; I17-L58 HydrophobicContact CG1-CD1 4Å
18E90.4Very high91.2Very high138 Ų13869 Ų6965%0.64533%0.333SS*.  trans-88.2-43.2-176.4-69.3145-127.500110.7K23 K54E18-K23 WeakPolarHBondContact O-CE 3.5Å; E18-K23 PolarHBondContact O-NZ 3.15Å; E18-K54 IonicContact OE1-NZ 2.78Å; E18-K54 PolarHBondContact OE1-NZ 3.2Å
19N91.8Very high91.1Very high87 Ų8764.5 Ų64.547%0.46531%0.313SS..  trans-74.9122.5-175.6-177.6-10.2000113.2A21 E22 K23N19-A21 VanDerWaalsContact C-N 3.31Å; N19-A21 PolarHBondContact O-N 2.57Å; N19-A21 WeakPolarHBondContact OD1-CB 3.32Å; N19-A21 PolarHBondContact OD1-N 3.46Å; N19-E22 HydrophobicContact CB-CB 4.31Å; N19-E22 HydrophobicContact CB-CG 4.01Å; N19-E22 WeakPolarHBondContact O-CB 3.43Å; N19-E22 PolarHBondContact O-N 3.19Å; N19-E22 VanDerWaalsContact O-N 3.14Å; N19-K23 PolarHBondContact O-N 3.3Å
20E89.5Confident91Very high117 Ų11765.1 Ų65.155%0.54732%0.317SS..Hα-helixtrans-57.4-38177.7-65.6-56.5139.200113.5E22 K23 D24E20-E22 VanDerWaalsContact C-N 3.26Å; E20-E22 PolarHBondContact O-N 2.8Å; E20-K23 WeakPolarHBondContact O-CA 3.09Å; E20-K23 WeakPolarHBondContact O-CB 3.43Å; E20-K23 PolarHBondContact O-N 2.85Å; E20-K23 IonicContact OE1-NZ 3.08Å; E20-K23 PolarHBondContact OE1-NZ 3.33Å; E20-K23 WeakPolarHBondContact OE2-CD 3.3Å; E20-K23 IonicContact OE2-NZ 3.63Å; E20-D24 PolarHBondContact O-N 2.96Å
21A89.5Confident90.8Very high64 Ų6466.2 Ų66.253%0.52932%0.321SS..Hα-helixtrans-65.8-29.7179.600000112.6N19 Y25N19-A21 VanDerWaalsContact C-N 3.31Å; N19-A21 PolarHBondContact O-N 2.57Å; N19-A21 WeakPolarHBondContact OD1-CB 3.32Å; N19-A21 PolarHBondContact OD1-N 3.46Å; A21-Y25 WeakPolarHBondContact O-CB 3.46Å; A21-Y25 PolarHBondContact O-N 2.85Å; A21-Y25 VanDerWaalsContact O-N 3.14Å
22E89.1Confident90.3Very high41 Ų4166.4 Ų66.419%0.19232%0.323CS..Hα-helixtrans-74.5-32.5172.5-65.2-170.3107.800111.8I17 N19 E20 L26 V49 R55I17-E22 HydrophobicContact CG2-CB 3.53Å; N19-E22 HydrophobicContact CB-CB 4.31Å; N19-E22 HydrophobicContact CB-CG 4.01Å; N19-E22 WeakPolarHBondContact O-CB 3.43Å; N19-E22 PolarHBondContact O-N 3.19Å; N19-E22 VanDerWaalsContact O-N 3.14Å; E20-E22 VanDerWaalsContact C-N 3.26Å; E20-E22 PolarHBondContact O-N 2.8Å; E22-L26 VanDerWaalsContact O-CB 3.3Å; E22-L26 WeakPolarHBondContact O-CB 3.16Å; E22-L26 PolarHBondContact O-N 3.29Å; E22-V49 HydrophobicContact CB-CG1 4.21Å; E22-R55 IonicContact OE1-CZ 3.44Å; E22-R55 IonicContact OE1-NH1 3.93Å; E22-R55 PolarHBondContact OE1-NH1 2.91Å; E22-R55 IonicContact OE1-NH2 3.73Å; E22-R55 IonicContact OE2-CZ 2.75Å; E22-R55 IonicContact OE2-NH1 2.67Å; E22-R55 PolarHBondContact OE2-NH1 2.77Å; E22-R55 VanDerWaalsContact OE2-NH1 3.15Å; E22-R55 IonicContact OE2-NH2 3.9Å; E22-R55 PolarHBondContact OE2-NH2 3.3Å
23K90.9Very high90.1Very high19 Ų1963.3 Ų63.38%0.08331%0.309CS..Hα-helixtrans-68.7-48174-58.7173-164.9161.90111V13 I17 E18 N19 E20 L26 Y27V13-K23 HydrophobicContact CG1-CB 4.16Å; V13-K23 HydrophobicContact CG1-CD 4.35Å; V13-K23 HydrophobicContact CG1-CG 3.79Å; I17-K23 HydrophobicContact CB-CG 4.21Å; I17-K23 HydrophobicContact CG2-CG 3.72Å; I17-K23 WeakPolarHBondContact O-CE 3.33Å; E18-K23 WeakPolarHBondContact O-CE 3.5Å; E18-K23 PolarHBondContact O-NZ 3.15Å; N19-K23 PolarHBondContact O-N 3.3Å; E20-K23 WeakPolarHBondContact O-CA 3.09Å; E20-K23 WeakPolarHBondContact O-CB 3.43Å; E20-K23 PolarHBondContact O-N 2.85Å; E20-K23 IonicContact OE1-NZ 3.08Å; E20-K23 PolarHBondContact OE1-NZ 3.33Å; E20-K23 WeakPolarHBondContact OE2-CD 3.3Å; E20-K23 IonicContact OE2-NZ 3.63Å; K23-L26 WeakPolarHBondContact O-CB 3.38Å; K23-L26 PolarHBondContact O-N 2.93Å; K23-Y27 HydrophobicContact CB-CD2 4.44Å; K23-Y27 HydrophobicContact CB-CE2 4.02Å; K23-Y27 WeakPolarHBondContact O-CD2 3.36Å; K23-Y27 PolarHBondContact O-N 2.79Å
24D85.8Confident89.9Confident98 Ų9870.3 Ų70.352%0.52434%0.342SS..Hα-helixtrans-59.7-48177.9-82.8-21.4000111.3E20 L26 Y27 D28E20-D24 PolarHBondContact O-N 2.96Å; D24-L26 VanDerWaalsContact C-N 3.35Å; D24-L26 PolarHBondContact O-N 3.18Å; D24-Y27 PolarHBondContact O-N 2.93Å; D24-Y27 VanDerWaalsContact O-N 3.16Å; D24-D28 WeakPolarHBondContact O-CB 3.46Å; D24-D28 PolarHBondContact O-N 3.23Å
25Y87.1Confident89.5Confident90 Ų9072.5 Ų72.535%0.35335%0.352SS..Hα-helixtrans-60.1-42.4175.1178.2-93.7000111.9A21 Y27 D28 V29 D45 L48 V49A21-Y25 WeakPolarHBondContact O-CB 3.46Å; A21-Y25 PolarHBondContact O-N 2.85Å; A21-Y25 VanDerWaalsContact O-N 3.14Å; Y25-Y27 PolarHBondContact O-N 3.41Å; Y25-D28 PolarHBondContact O-N 2.97Å; Y25-V29 HydrophobicContact CD1-CG2 3.99Å; Y25-V29 HydrophobicContact CD2-CG2 4.34Å; Y25-V29 HydrophobicContact CE1-CG2 3.55Å; Y25-V29 HydrophobicContact CE2-CG2 3.9Å; Y25-V29 HydrophobicContact CG-CG2 4.37Å; Y25-V29 VanDerWaalsContact CZ-CG2 3.48Å; Y25-V29 WeakPolarHBondContact O-CB 3.41Å; Y25-V29 VanDerWaalsContact O-CG2 3.25Å; Y25-V29 WeakPolarHBondContact O-CG2 3.48Å; Y25-V29 PolarHBondContact O-N 2.86Å; Y25-D45 WeakPolarHBondContact OH-CB 3.42Å; Y25-D45 PolarHBondContact OH-OD1 2.69Å; Y25-L48 HydrophobicContact CE1-CB 4.48Å; Y25-V49 HydrophobicContact CD1-CG2 3.47Å; Y25-V49 VanDerWaalsContact CD1-CG2 3.47Å; Y25-V49 HydrophobicContact CE1-CG2 3.99Å
26L89.6Confident89.4Confident0 Ų070.3 Ų70.30%035%0.347CS..Hα-helixtrans-59.7-41.9173.8172.761000112.6F9 V13 I17 E22 K23 D24 L30 L46 L58 I62F9-L26 HydrophobicContact CZ-CD2 4.19Å; F9-L26 HydrophobicContact CZ-CG 4.41Å; V13-L26 HydrophobicContact CG1-CD2 4.17Å; V13-L26 HydrophobicContact CG2-CD2 3.68Å; I17-L26 HydrophobicContact CD1-CD2 3.53Å; E22-L26 VanDerWaalsContact O-CB 3.3Å; E22-L26 WeakPolarHBondContact O-CB 3.16Å; E22-L26 PolarHBondContact O-N 3.29Å; K23-L26 WeakPolarHBondContact O-CB 3.38Å; K23-L26 PolarHBondContact O-N 2.93Å; D24-L26 VanDerWaalsContact C-N 3.35Å; D24-L26 PolarHBondContact O-N 3.18Å; L26-L30 HydrophobicContact CD1-CD1 4.05Å; L26-L30 HydrophobicContact CD1-CG 4.41Å; L26-L30 HydrophobicContact CG-CD1 4.3Å; L26-L30 VanDerWaalsContact O-CG 3.31Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 2.97Å; L26-L30 VanDerWaalsContact O-N 3.15Å; L26-L46 HydrophobicContact CD1-CD2 3.25Å; L26-L58 HydrophobicContact CD2-CD1 4.48Å; L26-I62 HydrophobicContact CD1-CD1 4.13Å
27Y91.4Very high89.2Confident58 Ų5871.9 Ų71.923%0.22735%0.354CS..Hα-helixtrans-70.5-34.8177.3-65.3-49.9000112.9F9 R10 V13 K23 D24 Y25 R31F9-Y27 HydrophobicContact CD1-CE1 4.46Å; F9-Y27 HydrophobicContact CE1-CD1 4.15Å; F9-Y27 AromaticContact CE1-CE1 3.78Å; F9-Y27 HydrophobicContact CE1-CE1 3.78Å; R10-Y27 HydrophobicContact CG-CE1 4.12Å; R10-Y27 WeakPolarHBondContact CG-OH 3.39Å; V13-Y27 WeakPolarHBondContact CG1-OH 3.42Å; K23-Y27 HydrophobicContact CB-CD2 4.44Å; K23-Y27 HydrophobicContact CB-CE2 4.02Å; K23-Y27 WeakPolarHBondContact O-CD2 3.36Å; K23-Y27 PolarHBondContact O-N 2.79Å; D24-Y27 PolarHBondContact O-N 2.93Å; D24-Y27 VanDerWaalsContact O-N 3.16Å; Y25-Y27 PolarHBondContact O-N 3.41Å; Y27-R31 WeakPolarHBondContact O-CB 3.09Å; Y27-R31 PolarHBondContact O-N 2.96Å
28D87.1Confident89.1Confident72 Ų7274.9 Ų74.939%0.38537%0.37SS..Hα-helixtrans-70.1-42.5175.7-85.113.3000111.7D24 Y25 L30 R31 M32D24-D28 WeakPolarHBondContact O-CB 3.46Å; D24-D28 PolarHBondContact O-N 3.23Å; Y25-D28 PolarHBondContact O-N 2.97Å; D28-L30 PolarHBondContact O-N 3.11Å; D28-R31 CarbonylContact O-C 3.59Å; D28-R31 WeakPolarHBondContact O-CA 3.31Å; D28-R31 WeakPolarHBondContact O-CB 3.18Å; D28-R31 PolarHBondContact O-N 3.37Å; D28-R31 IonicContact OD1-CZ 2.61Å; D28-R31 IonicContact OD1-NH1 3.73Å; D28-R31 PolarHBondContact OD1-NH1 2.87Å; D28-R31 IonicContact OD1-NH2 3.15Å; D28-R31 PolarHBondContact OD1-NH2 2.93Å; D28-R31 IonicContact OD2-NH1 2.74Å; D28-M32 WeakPolarHBondContact O-CG 3.31Å; D28-M32 PolarHBondContact O-N 2.87Å
29V88.2Confident89.1Confident4 Ų468.5 Ų68.52%0.02434%0.34CS..Hα-helixtrans-58.1-45.3173.3163.60000111.5Y25 R31 M32 Y33 L42 D45 L46Y25-V29 HydrophobicContact CD1-CG2 3.99Å; Y25-V29 HydrophobicContact CD2-CG2 4.34Å; Y25-V29 HydrophobicContact CE1-CG2 3.55Å; Y25-V29 HydrophobicContact CE2-CG2 3.9Å; Y25-V29 HydrophobicContact CG-CG2 4.37Å; Y25-V29 VanDerWaalsContact CZ-CG2 3.48Å; Y25-V29 WeakPolarHBondContact O-CB 3.41Å; Y25-V29 VanDerWaalsContact O-CG2 3.25Å; Y25-V29 WeakPolarHBondContact O-CG2 3.48Å; Y25-V29 PolarHBondContact O-N 2.86Å; V29-R31 VanDerWaalsContact C-N 3.3Å; V29-R31 PolarHBondContact O-N 2.82Å; V29-M32 PolarHBondContact O-N 2.89Å; V29-Y33 PolarHBondContact O-N 2.9Å; V29-L42 HydrophobicContact CG1-CD1 3.74Å; V29-D45 HydrophobicContact CB-CB 4.36Å; V29-D45 HydrophobicContact CG1-CB 3.65Å; V29-D45 HydrophobicContact CG2-CB 3.7Å; V29-L46 HydrophobicContact CG1-CD2 4.21Å; V29-L46 HydrophobicContact CG1-CG 4.31Å
30L90.9Very high88.9Confident26 Ų2667.7 Ų67.714%0.13634%0.339CS..Hα-helixtrans-66.1-32.1175-70.5168.3000112.6F9 L26 D28 H34 L42 I62 L65F9-L30 HydrophobicContact CE1-CD1 3.59Å; F9-L30 HydrophobicContact CE2-CD1 4.44Å; F9-L30 HydrophobicContact CZ-CD1 3.41Å; F9-L30 VanDerWaalsContact CZ-CD1 3.41Å; L26-L30 HydrophobicContact CD1-CD1 4.05Å; L26-L30 HydrophobicContact CD1-CG 4.41Å; L26-L30 HydrophobicContact CG-CD1 4.3Å; L26-L30 VanDerWaalsContact O-CG 3.31Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 2.97Å; L26-L30 VanDerWaalsContact O-N 3.15Å; D28-L30 PolarHBondContact O-N 3.11Å; L30-H34 PolarHBondContact O-N 2.67Å; L30-L42 HydrophobicContact CD2-CD1 4.01Å; L30-I62 HydrophobicContact CD1-CG1 4.42Å; L30-I62 HydrophobicContact CD2-CG1 4.36Å; L30-I62 HydrophobicContact CD2-CG2 3.68Å; L30-L65 HydrophobicContact CD1-CD1 4.45Å
31R88Confident88.6Confident138 Ų13865.5 Ų65.552%0.52133%0.334SS..Hα-helixtrans-71.1-39.8174.5-164.4-172.7-53.2129.818.6111.8Y27 D28 V29 H34 Q35Y27-R31 WeakPolarHBondContact O-CB 3.09Å; Y27-R31 PolarHBondContact O-N 2.96Å; D28-R31 CarbonylContact O-C 3.59Å; D28-R31 WeakPolarHBondContact O-CA 3.31Å; D28-R31 WeakPolarHBondContact O-CB 3.18Å; D28-R31 PolarHBondContact O-N 3.37Å; D28-R31 IonicContact OD1-CZ 2.61Å; D28-R31 IonicContact OD1-NH1 3.73Å; D28-R31 PolarHBondContact OD1-NH1 2.87Å; D28-R31 IonicContact OD1-NH2 3.15Å; D28-R31 PolarHBondContact OD1-NH2 2.93Å; D28-R31 IonicContact OD2-NH1 2.74Å; V29-R31 VanDerWaalsContact C-N 3.3Å; V29-R31 PolarHBondContact O-N 2.82Å; R31-H34 PolarHBondContact O-N 2.68Å; R31-Q35 PolarHBondContact O-N 2.9Å
32M83.8Confident88.6Confident108 Ų10862.6 Ų62.653%0.53231%0.309SS..Hα-helixtrans-63.6-44.4174.4-75.2176.758.500111.1D28 V29 H34 Q35 S36D28-M32 WeakPolarHBondContact O-CG 3.31Å; D28-M32 PolarHBondContact O-N 2.87Å; V29-M32 PolarHBondContact O-N 2.89Å; M32-H34 VanDerWaalsContact C-N 3.3Å; M32-H34 PolarHBondContact O-N 3.15Å; M32-Q35 WeakPolarHBondContact O-CA 3.44Å; M32-Q35 WeakPolarHBondContact O-CB 3.46Å; M32-Q35 PolarHBondContact O-N 2.84Å; M32-S36 PolarHBondContact O-N 2.81Å; M32-S36 PolarHBondContact O-OG 2.93Å
33Y90.4Very high88.6Confident12 Ų1260.8 Ų60.85%0.04730%0.301CS..Hα-helixtrans-58.4-38.9173.7175.6-109000113.3V29 Q35 S36 M37 D38 L39 L42 I66 H70V29-Y33 PolarHBondContact O-N 2.9Å; Y33-Q35 PolarHBondContact O-N 3.12Å; Y33-Q35 VanDerWaalsContact O-N 3.16Å; Y33-S36 PolarHBondContact O-N 3.22Å; Y33-M37 WeakPolarHBondContact O-CA 3.45Å; Y33-M37 PolarHBondContact O-N 3.05Å; Y33-D38 VanDerWaalsContact CD2-O 3.25Å; Y33-D38 WeakPolarHBondContact CD2-O 3.07Å; Y33-L39 HydrophobicContact CE2-CD2 3.72Å; Y33-L39 HydrophobicContact CE2-CG 3.99Å; Y33-L39 WeakPolarHBondContact OH-CD2 3.35Å; Y33-L42 HydrophobicContact CD1-CD2 3.9Å; Y33-L42 HydrophobicContact CD2-CB 3.74Å; Y33-L42 HydrophobicContact CD2-CD2 3.8Å; Y33-L42 HydrophobicContact CD2-CG 4.25Å; Y33-L42 HydrophobicContact CE1-CD2 4.14Å; Y33-L42 HydrophobicContact CE2-CB 4.39Å; Y33-L42 HydrophobicContact CE2-CD2 4.04Å; Y33-L42 HydrophobicContact CG-CB 4.11Å; Y33-L42 HydrophobicContact CG-CD1 4.24Å; Y33-L42 HydrophobicContact CG-CD2 3.7Å; Y33-L42 HydrophobicContact CG-CG 4.21Å; Y33-I66 HydrophobicContact CD1-CD1 4.17Å; Y33-I66 HydrophobicContact CE1-CD1 3.64Å; Y33-H70 AromaticContact CZ-ND1 3.95Å; Y33-H70 PolarHBondContact OH-ND1 2.78Å
34H89.8Confident88.4Confident148 Ų14861.7 Ų61.769%0.68532%0.316SS*.Hα-helixtrans-63.6-18.7175.3-166.5-69000112.8L30 R31 M32L30-H34 PolarHBondContact O-N 2.67Å; R31-H34 PolarHBondContact O-N 2.68Å; M32-H34 VanDerWaalsContact C-N 3.3Å; M32-H34 PolarHBondContact O-N 3.15Å
35Q86.3Confident88.4Confident154 Ų15459 Ų5972%0.7230%0.301SS*.Hα-helixtrans-95.8-45.9175.7-62175.37.200112.4R31 M32 Y33R31-Q35 PolarHBondContact O-N 2.9Å; M32-Q35 WeakPolarHBondContact O-CA 3.44Å; M32-Q35 WeakPolarHBondContact O-CB 3.46Å; M32-Q35 PolarHBondContact O-N 2.84Å; Y33-Q35 PolarHBondContact O-N 3.12Å; Y33-Q35 VanDerWaalsContact O-N 3.16Å
36S91.6Very high88.5Confident70 Ų7054.7 Ų54.749%0.4929%0.285SS..Hα-helixtrans-81.7-28.6-175.866.30000114M32 Y33 D38M32-S36 PolarHBondContact O-N 2.81Å; M32-S36 PolarHBondContact O-OG 2.93Å; Y33-S36 PolarHBondContact O-N 3.22Å; S36-D38 PolarHBondContact O-N 3.26Å; S36-D38 PolarHBondContact OG-N 2.68Å
37M90.3Very high88.5Confident65 Ų6556.8 Ų56.832%0.3229%0.294SS..  trans59.111.1-166.5-69.9-75.2122.600114.8Y33 L39 P67Y33-M37 WeakPolarHBondContact O-CA 3.45Å; Y33-M37 PolarHBondContact O-N 3.05Å; M37-L39 PolarHBondContact O-N 2.85Å; M37-P67 HydrophobicContact SD-CG 4.33Å
38D89.5Confident88.2Confident64 Ų6459.4 Ų59.434%0.34231%0.311SS..  trans-82.1108.9-174.4-168.3-49.3000112.1Y33 S36 P40 V41 L42Y33-D38 VanDerWaalsContact CD2-O 3.25Å; Y33-D38 WeakPolarHBondContact CD2-O 3.07Å; S36-D38 PolarHBondContact O-N 3.26Å; S36-D38 PolarHBondContact OG-N 2.68Å; D38-P40 VanDerWaalsContact OD1-CD 3.24Å; D38-P40 WeakPolarHBondContact OD1-CD 3.35Å; D38-V41 HydrophobicContact CB-CB 4.19Å; D38-V41 HydrophobicContact CB-CG2 4.38Å; D38-V41 WeakPolarHBondContact OD1-CB 3.48Å; D38-V41 WeakPolarHBondContact OD1-CG2 3.43Å; D38-V41 PolarHBondContact OD1-N 2.83Å; D38-L42 WeakPolarHBondContact O-CB 3.38Å; D38-L42 PolarHBondContact O-N 2.78Å
39L89.8Confident88.4Confident4 Ų456.2 Ų56.22%0.02129%0.294CS..Hα-helixtrans-73.9-46.8-179.6-93-171.5000114.7Y33 M37 V41 L42 V43 I66 H70 E73 Y74 F77Y33-L39 HydrophobicContact CE2-CD2 3.72Å; Y33-L39 HydrophobicContact CE2-CG 3.99Å; Y33-L39 WeakPolarHBondContact OH-CD2 3.35Å; M37-L39 PolarHBondContact O-N 2.85Å; L39-V41 VanDerWaalsContact C-N 3.32Å; L39-V41 PolarHBondContact O-N 2.98Å; L39-L42 HydrophobicContact CD2-CD2 3.97Å; L39-L42 PolarHBondContact O-N 2.71Å; L39-V43 PolarHBondContact O-N 2.67Å; L39-I66 HydrophobicContact CD2-CG2 4.44Å; L39-H70 HydrophobicContact CD1-CB 3.81Å; L39-H70 WeakPolarHBondContact CD1-O 3.11Å; L39-H70 HydrophobicContact CG-CB 4.32Å; L39-E73 HydrophobicContact CD1-CB 3.63Å; L39-E73 HydrophobicContact CD1-CG 3.6Å; L39-Y74 HydrophobicContact CD2-CD2 3.75Å; L39-Y74 HydrophobicContact CD2-CG 4.48Å; L39-F77 HydrophobicContact CB-CD2 4.39Å; L39-F77 HydrophobicContact CB-CE2 4.49Å
40P87.8Confident88.6Confident69 Ų6956 Ų5645%0.44829%0.293SS..Hα-helixtrans-52.6-46.5174.3-29.935.2000113.5D38 V43 G44 F77D38-P40 VanDerWaalsContact OD1-CD 3.24Å; D38-P40 WeakPolarHBondContact OD1-CD 3.35Å; P40-V43 PolarHBondContact O-N 3.2Å; P40-G44 PolarHBondContact O-N 2.96Å; P40-F77 HydrophobicContact CG-CE2 3.9Å; P40-F77 HydrophobicContact CG-CZ 3.82Å
41V84.3Confident88.5Confident71 Ų7157.4 Ų57.443%0.4330%0.3SS..Hα-helixtrans-64.9-48.5177.7174.20000110.6D38 L39 V43 G44 D45D38-V41 HydrophobicContact CB-CB 4.19Å; D38-V41 HydrophobicContact CB-CG2 4.38Å; D38-V41 WeakPolarHBondContact OD1-CB 3.48Å; D38-V41 WeakPolarHBondContact OD1-CG2 3.43Å; D38-V41 PolarHBondContact OD1-N 2.83Å; L39-V41 VanDerWaalsContact C-N 3.32Å; L39-V41 PolarHBondContact O-N 2.98Å; V41-V43 VanDerWaalsContact C-N 3.33Å; V41-V43 PolarHBondContact O-N 3.44Å; V41-G44 PolarHBondContact O-N 3.31Å; V41-D45 PolarHBondContact O-N 3.05Å
42L90Very high88.7Confident3 Ų352.9 Ų52.92%0.01629%0.285CS..Hα-helixtrans-51.7-51.3175.9170.167.8000111.6V29 L30 Y33 D38 L39 G44 D45 L46 I66 Y74V29-L42 HydrophobicContact CG1-CD1 3.74Å; L30-L42 HydrophobicContact CD2-CD1 4.01Å; Y33-L42 HydrophobicContact CD1-CD2 3.9Å; Y33-L42 HydrophobicContact CD2-CB 3.74Å; Y33-L42 HydrophobicContact CD2-CD2 3.8Å; Y33-L42 HydrophobicContact CD2-CG 4.25Å; Y33-L42 HydrophobicContact CE1-CD2 4.14Å; Y33-L42 HydrophobicContact CE2-CB 4.39Å; Y33-L42 HydrophobicContact CE2-CD2 4.04Å; Y33-L42 HydrophobicContact CG-CB 4.11Å; Y33-L42 HydrophobicContact CG-CD1 4.24Å; Y33-L42 HydrophobicContact CG-CD2 3.7Å; Y33-L42 HydrophobicContact CG-CG 4.21Å; D38-L42 WeakPolarHBondContact O-CB 3.38Å; D38-L42 PolarHBondContact O-N 2.78Å; L39-L42 HydrophobicContact CD2-CD2 3.97Å; L39-L42 PolarHBondContact O-N 2.71Å; L42-G44 VanDerWaalsContact C-N 3.35Å; L42-D45 PolarHBondContact O-N 2.88Å; L42-L46 HydrophobicContact CD1-CD1 3.78Å; L42-L46 HydrophobicContact CD1-CD2 4.38Å; L42-L46 HydrophobicContact CD1-CG 3.81Å; L42-L46 HydrophobicContact CD2-CD1 4.37Å; L42-L46 HydrophobicContact CG-CD1 3.84Å; L42-L46 HydrophobicContact CG-CG 4.22Å; L42-L46 VanDerWaalsContact O-CB 3.31Å; L42-L46 WeakPolarHBondContact O-CB 3.4Å; L42-L46 WeakPolarHBondContact O-CG 3.38Å; L42-L46 PolarHBondContact O-N 2.95Å; L42-I66 HydrophobicContact CD2-CD1 3.56Å; L42-Y74 HydrophobicContact CD2-CD2 4.42Å; L42-Y74 HydrophobicContact CD2-CE2 4.1Å
43V88.8Confident89.1Confident4 Ų448.9 Ų48.92%0.02427%0.267CS..Hα-helixtrans-72.5-31.7-174.5179.80000111.3L39 P40 V41 K47 F59 Y74 F77 T78L39-V43 PolarHBondContact O-N 2.67Å; P40-V43 PolarHBondContact O-N 3.2Å; V41-V43 VanDerWaalsContact C-N 3.33Å; V41-V43 PolarHBondContact O-N 3.44Å; V43-K47 WeakPolarHBondContact O-CG 3.15Å; V43-K47 PolarHBondContact O-N 3.5Å; V43-K47 VanDerWaalsContact O-N 3.16Å; V43-F59 HydrophobicContact CG1-CE1 4.44Å; V43-Y74 HydrophobicContact CG2-CD2 3.99Å; V43-Y74 HydrophobicContact CG2-CE2 4.02Å; V43-F77 HydrophobicContact CB-CB 4.05Å; V43-F77 HydrophobicContact CG1-CB 3.96Å; V43-F77 HydrophobicContact CG2-CB 3.95Å; V43-T78 HydrophobicContact CG1-CG2 4.47Å; V43-T78 HydrophobicContact CG2-CG2 4.36Å
44G86Confident89.2Confident37 Ų3753 Ų5338%0.38129%0.285SS..Hα-helixtrans-59.3-53.8169.800000112.6P40 V41 L42 L46 K47P40-G44 PolarHBondContact O-N 2.96Å; V41-G44 PolarHBondContact O-N 3.31Å; L42-G44 VanDerWaalsContact C-N 3.35Å; G44-L46 PolarHBondContact O-N 3.2Å; G44-K47 WeakPolarHBondContact O-CB 3.29Å; G44-K47 PolarHBondContact O-N 2.88Å
45D86.9Confident89.5Confident41 Ų4146.8 Ų46.822%0.21926%0.256CS..Hα-helixtrans-63.4-41178.9-72.1-22.5000111.9Y25 V29 V41 L42 K47 L48Y25-D45 WeakPolarHBondContact OH-CB 3.42Å; Y25-D45 PolarHBondContact OH-OD1 2.69Å; V29-D45 HydrophobicContact CB-CB 4.36Å; V29-D45 HydrophobicContact CG1-CB 3.65Å; V29-D45 HydrophobicContact CG2-CB 3.7Å; V41-D45 PolarHBondContact O-N 3.05Å; L42-D45 PolarHBondContact O-N 2.88Å; D45-K47 VanDerWaalsContact C-N 3.26Å; D45-K47 PolarHBondContact O-N 3.36Å; D45-L48 WeakPolarHBondContact O-CB 3.41Å; D45-L48 PolarHBondContact O-N 2.91Å; D45-L48 VanDerWaalsContact O-N 3.08Å
46L88.6Confident89.8Confident1 Ų139.8 Ų39.81%0.00522%0.223CC..Hα-helixtrans-59.6-33.9175.8-76.8-179.8000112.8L26 V29 L42 G44 L48 V49 I50 F59 I62 Y74L26-L46 HydrophobicContact CD1-CD2 3.25Å; V29-L46 HydrophobicContact CG1-CD2 4.21Å; V29-L46 HydrophobicContact CG1-CG 4.31Å; L42-L46 HydrophobicContact CD1-CD1 3.78Å; L42-L46 HydrophobicContact CD1-CD2 4.38Å; L42-L46 HydrophobicContact CD1-CG 3.81Å; L42-L46 HydrophobicContact CD2-CD1 4.37Å; L42-L46 HydrophobicContact CG-CD1 3.84Å; L42-L46 HydrophobicContact CG-CG 4.22Å; L42-L46 VanDerWaalsContact O-CB 3.31Å; L42-L46 WeakPolarHBondContact O-CB 3.4Å; L42-L46 WeakPolarHBondContact O-CG 3.38Å; L42-L46 PolarHBondContact O-N 2.95Å; G44-L46 PolarHBondContact O-N 3.2Å; L46-L48 PolarHBondContact O-N 2.83Å; L46-V49 PolarHBondContact O-N 2.79Å; L46-I50 HydrophobicContact CB-CD1 4.2Å; L46-I50 HydrophobicContact CD2-CD1 4.38Å; L46-I50 WeakPolarHBondContact O-CB 3.38Å; L46-I50 VanDerWaalsContact O-CG1 3.27Å; L46-I50 WeakPolarHBondContact O-CG1 3.31Å; L46-I50 PolarHBondContact O-N 2.87Å; L46-F59 HydrophobicContact CB-CE1 4.02Å; L46-F59 HydrophobicContact CD1-CD1 4.39Å; L46-F59 HydrophobicContact CD1-CE1 4.13Å; L46-I62 HydrophobicContact CD1-CD1 3.83Å; L46-I62 HydrophobicContact CD1-CG2 4.33Å; L46-I62 HydrophobicContact CD2-CD1 3.64Å; L46-I62 HydrophobicContact CG-CD1 4.4Å; L46-Y74 HydrophobicContact CD1-CE2 4.44Å
47K88.6Confident90Very high44 Ų4437.9 Ų37.919%0.19121%0.209CC..Hα-helixtrans-64.1-22.8177.2-76.7-179.6174-174.10113.1V43 G44 D45 F59 F184 D186V43-K47 WeakPolarHBondContact O-CG 3.15Å; V43-K47 PolarHBondContact O-N 3.5Å; V43-K47 VanDerWaalsContact O-N 3.16Å; G44-K47 WeakPolarHBondContact O-CB 3.29Å; G44-K47 PolarHBondContact O-N 2.88Å; D45-K47 VanDerWaalsContact C-N 3.26Å; D45-K47 PolarHBondContact O-N 3.36Å; K47-F59 HydrophobicContact CG-CZ 4.44Å; K47-F184 HydrophobicContact CB-CD2 4.11Å; K47-F184 HydrophobicContact CB-CE2 3.59Å; K47-F184 HydrophobicContact CB-CZ 4.34Å; K47-F184 HydrophobicContact CD-CD2 3.63Å; K47-F184 HydrophobicContact CD-CE2 3.85Å; K47-F184 HydrophobicContact CD-CG 4.15Å; K47-F184 HydrophobicContact CG-CD2 3.77Å; K47-F184 HydrophobicContact CG-CE2 3.41Å; K47-F184 VanDerWaalsContact CG-CE2 3.41Å; K47-F184 HydrophobicContact CG-CG 4.49Å; K47-F184 HydrophobicContact CG-CZ 3.86Å; K47-D186 IonicContact NZ-OD1 3.95Å; K47-D186 PolarHBondContact NZ-OD1 3.34Å; K47-D186 IonicContact NZ-OD2 3.02Å; K47-D186 PolarHBondContact NZ-OD2 3Å
48L86.5Confident90.2Very high113 Ų11334.8 Ų34.859%0.59219%0.194SC*.Hα-helixtrans-71.2-35.5178.5-58.8-179.7000112.5Y25 D45 L46 N51Y25-L48 HydrophobicContact CE1-CB 4.48Å; D45-L48 WeakPolarHBondContact O-CB 3.41Å; D45-L48 PolarHBondContact O-N 2.91Å; D45-L48 VanDerWaalsContact O-N 3.08Å; L46-L48 PolarHBondContact O-N 2.83Å; L48-N51 PolarHBondContact O-ND2 2.82Å
49V89.8Confident90.4Very high5 Ų532.3 Ų32.33%0.0318%0.18CC..Hα-helixtrans-90-39.6174.3179.70000111.6I17 E22 Y25 L46 N51 R55I17-V49 HydrophobicContact CD1-CG1 3.44Å; I17-V49 VanDerWaalsContact CD1-CG1 3.44Å; I17-V49 HydrophobicContact CG1-CG1 4.01Å; E22-V49 HydrophobicContact CB-CG1 4.21Å; Y25-V49 HydrophobicContact CD1-CG2 3.47Å; Y25-V49 VanDerWaalsContact CD1-CG2 3.47Å; Y25-V49 HydrophobicContact CE1-CG2 3.99Å; L46-V49 PolarHBondContact O-N 2.79Å; V49-N51 PolarHBondContact O-N 3.28Å; V49-N51 PolarHBondContact O-OD1 3.2Å; V49-R55 WeakPolarHBondContact O-CD 3.2Å; V49-R55 PolarHBondContact O-NH1 3.12Å
50I92.6Very high90.6Very high0 Ų035.7 Ų35.70%020%0.198CC..SBendtrans-83.654.8179.4-49.6176.4000108.8L46 R55 L56 L58 F59 I62 F184L46-I50 HydrophobicContact CB-CD1 4.2Å; L46-I50 HydrophobicContact CD2-CD1 4.38Å; L46-I50 WeakPolarHBondContact O-CB 3.38Å; L46-I50 VanDerWaalsContact O-CG1 3.27Å; L46-I50 WeakPolarHBondContact O-CG1 3.31Å; L46-I50 PolarHBondContact O-N 2.87Å; I50-R55 HydrophobicContact CB-CB 4.49Å; I50-R55 HydrophobicContact CG2-CB 3.9Å; I50-L56 HydrophobicContact CG2-CD2 3.89Å; I50-L56 HydrophobicContact CG2-CG 4.48Å; I50-L58 HydrophobicContact CD1-CB 3.77Å; I50-L58 HydrophobicContact CG1-CB 4.21Å; I50-L58 HydrophobicContact CG1-CD1 4.26Å; I50-F59 HydrophobicContact CB-CE2 4.09Å; I50-F59 HydrophobicContact CB-CZ 4.16Å; I50-F59 HydrophobicContact CD1-CD1 3.91Å; I50-F59 HydrophobicContact CD1-CD2 4.2Å; I50-F59 HydrophobicContact CD1-CE1 3.75Å; I50-F59 HydrophobicContact CD1-CE2 4.05Å; I50-F59 HydrophobicContact CD1-CG 4.13Å; I50-F59 HydrophobicContact CD1-CZ 3.83Å; I50-F59 HydrophobicContact CG2-CD2 4.02Å; I50-F59 HydrophobicContact CG2-CE2 3.64Å; I50-F59 HydrophobicContact CG2-CZ 4.22Å; I50-I62 HydrophobicContact CD1-CD1 4.18Å; I50-F184 WeakPolarHBondContact O-CZ 3.49Å
51N89.6Confident90.9Very high55 Ų5532.8 Ų32.829%0.29418%0.18SC..  trans-92.89.4-16755.324.3000114.3L48 V49L48-N51 PolarHBondContact O-ND2 2.82Å; V49-N51 PolarHBondContact O-N 3.28Å; V49-N51 PolarHBondContact O-OD1 3.2Å
52E92.4Very high91.4Very high43 Ų4329.4 Ų29.420%0.20116%0.159CC..SBendtrans-153.2157.7-179.461.4175.7154.200113.1K54 R55E52-K54 VanDerWaalsContact C-N 3.29Å; E52-K54 VanDerWaalsContact CD-CG 3.41Å; E52-K54 HydrophobicContact CG-CG 3.86Å; E52-K54 PolarHBondContact O-N 3.48Å; E52-K54 WeakPolarHBondContact OE1-CE 3.32Å; E52-K54 IonicContact OE1-NZ 3.71Å; E52-K54 WeakPolarHBondContact OE2-CE 3.23Å; E52-K54 WeakPolarHBondContact OE2-CG 3.42Å; E52-R55 HydrophobicContact CG-CB 4.12Å; E52-R55 HydrophobicContact CG-CG 3.6Å; E52-R55 PolarHBondContact O-N 3.35Å; E52-R55 IonicContact OE1-CZ 2.98Å; E52-R55 IonicContact OE1-NE 3.65Å; E52-R55 PolarHBondContact OE1-NE 2.78Å; E52-R55 IonicContact OE1-NH2 2.67Å
53P92.6Very high91.6Very high23 Ų2332.6 Ų32.615%0.14917%0.171CC..THydrogen-bonded Turntrans-60.2-27.9-175.6-27.735.7000116R55 R81 V167 M169 W182P53-R55 VanDerWaalsContact C-N 3.33Å; P53-R81 PolarHBondContact O-NH2 3.49Å; P53-V167 HydrophobicContact CB-CG1 4.13Å; P53-V167 HydrophobicContact CG-CG1 4.38Å; P53-M169 HydrophobicContact CG-SD 4.31Å; P53-W182 VanDerWaalsContact CD-CE2 3.48Å; P53-W182 HydrophobicContact CG-CD2 3.63Å; P53-W182 HydrophobicContact CG-CE3 3.55Å; P53-W182 HydrophobicContact CG-CG 4.33Å; P53-W182 HydrophobicContact CG-CH2 3.77Å; P53-W182 HydrophobicContact CG-CZ2 3.84Å; P53-W182 HydrophobicContact CG-CZ3 3.61Å
54K92.3Very high91.9Very high99 Ų9935.9 Ų35.943%0.4319%0.193SC..THydrogen-bonded Turntrans-68.3-31.7175.567.6169.1177.8174.70112.1E18 E52 P57E18-K54 IonicContact OE1-NZ 2.78Å; E18-K54 PolarHBondContact OE1-NZ 3.2Å; E52-K54 VanDerWaalsContact C-N 3.29Å; E52-K54 VanDerWaalsContact CD-CG 3.41Å; E52-K54 HydrophobicContact CG-CG 3.86Å; E52-K54 PolarHBondContact O-N 3.48Å; E52-K54 WeakPolarHBondContact OE1-CE 3.32Å; E52-K54 IonicContact OE1-NZ 3.71Å; E52-K54 WeakPolarHBondContact OE2-CE 3.23Å; E52-K54 WeakPolarHBondContact OE2-CG 3.42Å; K54-P57 WeakPolarHBondContact O-CD 3.23Å
55R94.9Very high92.2Very high18 Ų1837.5 Ų37.57%0.06819%0.192CC..THydrogen-bonded Turntrans-80.6-23.7-178-65.6-178.4-170.3-156.2-4.9114.4L16 E22 V49 I50 E52 P53 P57 L58L16-R55 WeakPolarHBondContact O-CG 3.45Å; E22-R55 IonicContact OE1-CZ 3.44Å; E22-R55 IonicContact OE1-NH1 3.93Å; E22-R55 PolarHBondContact OE1-NH1 2.91Å; E22-R55 IonicContact OE1-NH2 3.73Å; E22-R55 IonicContact OE2-CZ 2.75Å; E22-R55 IonicContact OE2-NH1 2.67Å; E22-R55 PolarHBondContact OE2-NH1 2.77Å; E22-R55 VanDerWaalsContact OE2-NH1 3.15Å; E22-R55 IonicContact OE2-NH2 3.9Å; E22-R55 PolarHBondContact OE2-NH2 3.3Å; V49-R55 WeakPolarHBondContact O-CD 3.2Å; V49-R55 PolarHBondContact O-NH1 3.12Å; I50-R55 HydrophobicContact CB-CB 4.49Å; I50-R55 HydrophobicContact CG2-CB 3.9Å; E52-R55 HydrophobicContact CG-CB 4.12Å; E52-R55 HydrophobicContact CG-CG 3.6Å; E52-R55 PolarHBondContact O-N 3.35Å; E52-R55 IonicContact OE1-CZ 2.98Å; E52-R55 IonicContact OE1-NE 3.65Å; E52-R55 PolarHBondContact OE1-NE 2.78Å; E52-R55 IonicContact OE1-NH2 2.67Å; P53-R55 VanDerWaalsContact C-N 3.33Å; R55-P57 VanDerWaalsContact C-N 3.3Å; R55-P57 VanDerWaalsContact O-CD 3.25Å; R55-P57 WeakPolarHBondContact O-CD 3.24Å; R55-L58 HydrophobicContact CB-CD1 4.35Å; R55-L58 VanDerWaalsContact O-CB 3.25Å; R55-L58 WeakPolarHBondContact O-CB 3.32Å; R55-L58 VanDerWaalsContact O-CG 3.25Å; R55-L58 WeakPolarHBondContact O-CG 3.3Å; R55-L58 PolarHBondContact O-N 3.26Å
56L94.1Very high92.5Very high7 Ų735.8 Ų35.84%0.03718%0.183CC..THydrogen-bonded Turntrans-49.5-28.1-179.2-68.1177.6000117.5I50 L58 F59 P79 R81 V167 M169 F184I50-L56 HydrophobicContact CG2-CD2 3.89Å; I50-L56 HydrophobicContact CG2-CG 4.48Å; L56-L58 PolarHBondContact O-N 2.89Å; L56-F59 HydrophobicContact CD2-CD2 3.88Å; L56-F59 HydrophobicContact CD2-CE2 3.68Å; L56-F59 PolarHBondContact O-N 2.85Å; L56-F59 VanDerWaalsContact O-N 3.1Å; L56-P79 HydrophobicContact CD2-CG 4.29Å; L56-R81 VanDerWaalsContact CB-CZ 3.45Å; L56-V167 HydrophobicContact CD1-CG1 4.08Å; L56-V167 WeakPolarHBondContact CD1-O 3.41Å; L56-M169 HydrophobicContact CD1-CG 4.01Å; L56-M169 HydrophobicContact CD1-SD 3.75Å; L56-M169 HydrophobicContact CD2-CG 4.46Å; L56-M169 HydrophobicContact CD2-SD 3.89Å; L56-M169 HydrophobicContact CG-SD 3.92Å; L56-F184 HydrophobicContact CD2-CE1 3.76Å; L56-F184 HydrophobicContact CD2-CZ 4.13Å
57P93.8Very high92.8Very high30 Ų3037.8 Ų37.820%0.19520%0.196CC..Hα-helixtrans-61.5-7.9170.8-19.332.8000114.7L16 K54 R55 D60 A61L16-P57 HydrophobicContact CD1-CB 4.05Å; L16-P57 HydrophobicContact CD1-CG 4.27Å; K54-P57 WeakPolarHBondContact O-CD 3.23Å; R55-P57 VanDerWaalsContact C-N 3.3Å; R55-P57 VanDerWaalsContact O-CD 3.25Å; R55-P57 WeakPolarHBondContact O-CD 3.24Å; P57-D60 WeakPolarHBondContact O-CB 3.46Å; P57-D60 PolarHBondContact O-N 2.84Å; P57-A61 WeakPolarHBondContact O-CB 3.43Å; P57-A61 PolarHBondContact O-N 2.91Å
58L94.9Very high93.1Very high0 Ų042.6 Ų42.60%022%0.223CC..Hα-helixtrans-70-31.3170.7-66.8172.4000112.2F9 K12 V13 L16 I17 L26 I50 R55 L56 A61 I62F9-L58 HydrophobicContact CE2-CD2 4.49Å; K12-L58 HydrophobicContact CB-CD2 4.25Å; V13-L58 HydrophobicContact CG2-CD2 3.94Å; L16-L58 HydrophobicContact CB-CD1 4.39Å; L16-L58 HydrophobicContact CB-CG 4.46Å; L16-L58 HydrophobicContact CD1-CD2 4.06Å; L16-L58 HydrophobicContact CD1-CG 3.96Å; I17-L58 HydrophobicContact CD1-CD1 3.5Å; I17-L58 HydrophobicContact CG1-CD1 4Å; L26-L58 HydrophobicContact CD2-CD1 4.48Å; I50-L58 HydrophobicContact CD1-CB 3.77Å; I50-L58 HydrophobicContact CG1-CB 4.21Å; I50-L58 HydrophobicContact CG1-CD1 4.26Å; R55-L58 HydrophobicContact CB-CD1 4.35Å; R55-L58 VanDerWaalsContact O-CB 3.25Å; R55-L58 WeakPolarHBondContact O-CB 3.32Å; R55-L58 VanDerWaalsContact O-CG 3.25Å; R55-L58 WeakPolarHBondContact O-CG 3.3Å; R55-L58 PolarHBondContact O-N 3.26Å; L56-L58 PolarHBondContact O-N 2.89Å; L58-A61 CarbonylContact O-C 3.57Å; L58-A61 WeakPolarHBondContact O-CA 3.35Å; L58-A61 WeakPolarHBondContact O-CB 3.43Å; L58-A61 PolarHBondContact O-N 2.93Å; L58-I62 HydrophobicContact CB-CD1 4.46Å; L58-I62 WeakPolarHBondContact O-CB 3.47Å; L58-I62 WeakPolarHBondContact O-CD1 3.44Å; L58-I62 VanDerWaalsContact O-CG1 3.23Å; L58-I62 WeakPolarHBondContact O-CG1 3.4Å; L58-I62 PolarHBondContact O-N 3.09Å
59F95.1Very high93.4Very high11 Ų1144.2 Ų44.25%0.04823%0.226CC..Hα-helixtrans-62.1-44.6170.8-69-62.2000111.1V43 L46 K47 I50 L56 A61 I62 R63 Y74 T78 P79 F184V43-F59 HydrophobicContact CG1-CE1 4.44Å; L46-F59 HydrophobicContact CB-CE1 4.02Å; L46-F59 HydrophobicContact CD1-CD1 4.39Å; L46-F59 HydrophobicContact CD1-CE1 4.13Å; K47-F59 HydrophobicContact CG-CZ 4.44Å; I50-F59 HydrophobicContact CB-CE2 4.09Å; I50-F59 HydrophobicContact CB-CZ 4.16Å; I50-F59 HydrophobicContact CD1-CD1 3.91Å; I50-F59 HydrophobicContact CD1-CD2 4.2Å; I50-F59 HydrophobicContact CD1-CE1 3.75Å; I50-F59 HydrophobicContact CD1-CE2 4.05Å; I50-F59 HydrophobicContact CD1-CG 4.13Å; I50-F59 HydrophobicContact CD1-CZ 3.83Å; I50-F59 HydrophobicContact CG2-CD2 4.02Å; I50-F59 HydrophobicContact CG2-CE2 3.64Å; I50-F59 HydrophobicContact CG2-CZ 4.22Å; L56-F59 HydrophobicContact CD2-CD2 3.88Å; L56-F59 HydrophobicContact CD2-CE2 3.68Å; L56-F59 PolarHBondContact O-N 2.85Å; L56-F59 VanDerWaalsContact O-N 3.1Å; F59-A61 PolarHBondContact O-N 3.41Å; F59-I62 PolarHBondContact O-N 3.24Å; F59-R63 PolarHBondContact O-N 3.49Å; F59-R63 VanDerWaalsContact O-N 3.09Å; F59-Y74 PolarHBondContact O-OH 3.43Å; F59-T78 HydrophobicContact CB-CG2 4.3Å; F59-T78 HydrophobicContact CD1-CG2 3.47Å; F59-T78 VanDerWaalsContact CD1-CG2 3.47Å; F59-T78 HydrophobicContact CE1-CG2 3.95Å; F59-T78 HydrophobicContact CG-CG2 4.02Å; F59-P79 HydrophobicContact CD2-CG 4.27Å; F59-P79 HydrophobicContact CE2-CG 3.77Å; F59-P79 HydrophobicContact CZ-CG 4.38Å; F59-F184 HydrophobicContact CE2-CE1 4.43Å; F59-F184 HydrophobicContact CE2-CZ 4.34Å
60D93Very high93.7Very high75 Ų7545 Ų4540%0.40123%0.229SC..Hα-helixtrans-57.3-29.4171.2-69-17.9000112.1P57 R83P57-D60 WeakPolarHBondContact O-CB 3.46Å; P57-D60 PolarHBondContact O-N 2.84Å; D60-R83 IonicContact OD2-NH2 2.78Å; D60-R83 PolarHBondContact OD2-NH2 2.76Å; D60-R83 VanDerWaalsContact OD2-NH2 3.08Å
61A93.7Very high93.8Very high8 Ų846.8 Ų46.87%0.06624%0.237CC..Hα-helixtrans-91.1-26.8-174.900000114.3F9 K12 P57 L58 F59 P64F9-A61 HydrophobicContact CD2-CB 3.96Å; K12-A61 HydrophobicContact CD-CB 3.46Å; K12-A61 VanDerWaalsContact CD-CB 3.46Å; P57-A61 WeakPolarHBondContact O-CB 3.43Å; P57-A61 PolarHBondContact O-N 2.91Å; L58-A61 CarbonylContact O-C 3.57Å; L58-A61 WeakPolarHBondContact O-CA 3.35Å; L58-A61 WeakPolarHBondContact O-CB 3.43Å; L58-A61 PolarHBondContact O-N 2.93Å; F59-A61 PolarHBondContact O-N 3.41Å; A61-P64 WeakPolarHBondContact O-CD 3.22Å
62I94.9Very high94Very high0 Ų049 Ų490%025%0.252CS..Hα-helixtrans-83.2-33.9176.9-69.5162.6000110.2F9 L26 L30 L46 I50 L58 F59 P64 L65 I66 Y74F9-I62 HydrophobicContact CD2-CG1 4.25Å; F9-I62 HydrophobicContact CE2-CD1 4.28Å; F9-I62 HydrophobicContact CE2-CG1 3.49Å; F9-I62 VanDerWaalsContact CE2-CG1 3.49Å; F9-I62 HydrophobicContact CZ-CG1 4.02Å; L26-I62 HydrophobicContact CD1-CD1 4.13Å; L30-I62 HydrophobicContact CD1-CG1 4.42Å; L30-I62 HydrophobicContact CD2-CG1 4.36Å; L30-I62 HydrophobicContact CD2-CG2 3.68Å; L46-I62 HydrophobicContact CD1-CD1 3.83Å; L46-I62 HydrophobicContact CD1-CG2 4.33Å; L46-I62 HydrophobicContact CD2-CD1 3.64Å; L46-I62 HydrophobicContact CG-CD1 4.4Å; I50-I62 HydrophobicContact CD1-CD1 4.18Å; L58-I62 HydrophobicContact CB-CD1 4.46Å; L58-I62 WeakPolarHBondContact O-CB 3.47Å; L58-I62 WeakPolarHBondContact O-CD1 3.44Å; L58-I62 VanDerWaalsContact O-CG1 3.23Å; L58-I62 WeakPolarHBondContact O-CG1 3.4Å; L58-I62 PolarHBondContact O-N 3.09Å; F59-I62 PolarHBondContact O-N 3.24Å; I62-P64 VanDerWaalsContact C-CD 3.43Å; I62-P64 VanDerWaalsContact C-N 3.31Å; I62-P64 VanDerWaalsContact O-N 3.1Å; I62-L65 WeakPolarHBondContact O-CA 3.33Å; I62-L65 VanDerWaalsContact O-CB 3.23Å; I62-L65 WeakPolarHBondContact O-CB 3.37Å; I62-L65 PolarHBondContact O-N 3.48Å; I62-I66 HydrophobicContact CG2-CD1 3.97Å; I62-I66 HydrophobicContact CG2-CG1 4.27Å; I62-I66 PolarHBondContact O-N 3.5Å; I62-Y74 WeakPolarHBondContact CB-OH 3.37Å; I62-Y74 HydrophobicContact CG2-CE2 4.3Å; I62-Y74 VanDerWaalsContact CG2-OH 3.28Å; I62-Y74 WeakPolarHBondContact CG2-OH 3.26Å
63R94.9Very high94Very high70 Ų7050.8 Ų50.826%0.26426%0.261SS..G310 helixtrans-43.2-44.3178.3175.4172.9-175.773.9-4115F59 L65 I66 Q71 Y74 D75F59-R63 PolarHBondContact O-N 3.49Å; F59-R63 VanDerWaalsContact O-N 3.09Å; R63-L65 PolarHBondContact O-N 3.39Å; R63-I66 WeakPolarHBondContact O-CB 3.33Å; R63-I66 PolarHBondContact O-N 3.35Å; R63-I66 VanDerWaalsContact O-N 3.12Å; R63-Q71 PolarHBondContact NH1-O 2.72Å; R63-Q71 PolarHBondContact O-NE2 2.94Å; R63-Y74 HydrophobicContact CB-CD1 4.31Å; R63-Y74 HydrophobicContact CB-CE1 3.9Å; R63-D75 VanDerWaalsContact CZ-CG 3.47Å; R63-D75 IonicContact CZ-OD1 2.73Å; R63-D75 IonicContact CZ-OD2 3.88Å; R63-D75 IonicContact NE-OD1 2.87Å; R63-D75 IonicContact NH1-OD1 3.5Å; R63-D75 PolarHBondContact NH1-OD1 2.96Å; R63-D75 IonicContact NH1-OD2 2.61Å; R63-D75 PolarHBondContact NH1-OD2 3.33Å; R63-D75 IonicContact NH2-OD1 3.31Å; R63-D75 IonicContact NH2-OD2 2.75Å; R63-D75 PolarHBondContact NH2-OD2 2.83Å
64P94.3Very high94.1Very high73 Ų7349.8 Ų49.847%0.47425%0.254SS..G310 helixtrans-70.3-12.8177.6-20.735.7000115.4V5 A61 I62V5-P64 HydrophobicContact CG1-CB 3.75Å; A61-P64 WeakPolarHBondContact O-CD 3.22Å; I62-P64 VanDerWaalsContact C-CD 3.43Å; I62-P64 VanDerWaalsContact C-N 3.31Å; I62-P64 VanDerWaalsContact O-N 3.1Å
65L92.4Very high94.1Very high71 Ų7148 Ų4837%0.37225%0.249SC..G310 helixtrans-85.7-19.4171.9-49.3176.7000111.7V5 F9 L30 I62 R63V5-L65 HydrophobicContact CG1-CD2 3.84Å; F9-L65 HydrophobicContact CD1-CD1 3.85Å; F9-L65 HydrophobicContact CD2-CD1 4.34Å; F9-L65 HydrophobicContact CE1-CD1 4.11Å; F9-L65 HydrophobicContact CG-CD1 3.98Å; L30-L65 HydrophobicContact CD1-CD1 4.45Å; I62-L65 WeakPolarHBondContact O-CA 3.33Å; I62-L65 VanDerWaalsContact O-CB 3.23Å; I62-L65 WeakPolarHBondContact O-CB 3.37Å; I62-L65 PolarHBondContact O-N 3.48Å; R63-L65 PolarHBondContact O-N 3.39Å
66I94.2Very high93.8Very high5 Ų553.6 Ų53.63%0.02628%0.276CS..SBendtrans-77.3130.2179.2-53.8-56.5000109.7Y33 L39 L42 I62 R63 H70 Q71 Y74Y33-I66 HydrophobicContact CD1-CD1 4.17Å; Y33-I66 HydrophobicContact CE1-CD1 3.64Å; L39-I66 HydrophobicContact CD2-CG2 4.44Å; L42-I66 HydrophobicContact CD2-CD1 3.56Å; I62-I66 HydrophobicContact CG2-CD1 3.97Å; I62-I66 HydrophobicContact CG2-CG1 4.27Å; I62-I66 PolarHBondContact O-N 3.5Å; R63-I66 WeakPolarHBondContact O-CB 3.33Å; R63-I66 PolarHBondContact O-N 3.35Å; R63-I66 VanDerWaalsContact O-N 3.12Å; I66-H70 HydrophobicContact CG2-CB 3.73Å; I66-Q71 HydrophobicContact CB-CG 4.14Å; I66-Q71 HydrophobicContact CG2-CG 4.13Å; I66-Q71 PolarHBondContact O-NE2 2.98Å; I66-Y74 HydrophobicContact CD1-CD2 4.1Å; I66-Y74 HydrophobicContact CD1-CE2 3.99Å; I66-Y74 HydrophobicContact CG1-CD1 4.38Å; I66-Y74 HydrophobicContact CG1-CD2 3.85Å; I66-Y74 HydrophobicContact CG1-CE1 4.42Å; I66-Y74 HydrophobicContact CG1-CE2 3.9Å; I66-Y74 HydrophobicContact CG1-CG 4.09Å; I66-Y74 HydrophobicContact CG2-CG 4.5Å
67P94.3Very high93.5Very high43 Ų4357.2 Ų57.228%0.27929%0.291SS..  trans-54.8139.5176.4-2735.1000112.4M37 K69 H70 Q71M37-P67 HydrophobicContact SD-CG 4.33Å; P67-K69 HydrophobicContact CB-CG 4.05Å; P67-K69 PolarHBondContact O-N 3.34Å; P67-H70 WeakPolarHBondContact O-CA 3.44Å; P67-H70 WeakPolarHBondContact O-CB 2.88Å; P67-H70 PolarHBondContact O-N 2.89Å; P67-Q71 PolarHBondContact O-N 3.31Å
68L94.3Very high93.3Very high145 Ų14556.5 Ų56.576%0.75929%0.287SS*.G310 helixtrans-49.5-39.7-176.3-69.6170.4000113.7H70 Q71L68-H70 PolarHBondContact O-N 2.82Å; L68-Q71 PolarHBondContact O-N 3.22Å
69K94.2Very high92.9Very high148 Ų14857.9 Ų57.964%0.64330%0.296SS*.G310 helixtrans-58.7-24.6176.455.8155-178.3150.30114.8P67P67-K69 HydrophobicContact CB-CG 4.05Å; P67-K69 PolarHBondContact O-N 3.34Å
70H94.4Very high92.3Very high22 Ų2264.2 Ų64.210%0.10232%0.323CS..G310 helixtrans-104.2-13.1-176.5-65171.6000112.3Y33 L39 I66 P67 L68 V72 E73 Y74Y33-H70 AromaticContact CZ-ND1 3.95Å; Y33-H70 PolarHBondContact OH-ND1 2.78Å; L39-H70 HydrophobicContact CD1-CB 3.81Å; L39-H70 WeakPolarHBondContact CD1-O 3.11Å; L39-H70 HydrophobicContact CG-CB 4.32Å; I66-H70 HydrophobicContact CG2-CB 3.73Å; P67-H70 WeakPolarHBondContact O-CA 3.44Å; P67-H70 WeakPolarHBondContact O-CB 2.88Å; P67-H70 PolarHBondContact O-N 2.89Å; L68-H70 PolarHBondContact O-N 2.82Å; H70-V72 VanDerWaalsContact C-N 3.29Å; H70-V72 PolarHBondContact O-N 3Å; H70-E73 PolarHBondContact O-N 2.95Å; H70-E73 VanDerWaalsContact O-N 3.11Å; H70-Y74 PolarHBondContact O-N 2.89Å
71Q94.8Very high91.9Very high36 Ų3664.8 Ų64.817%0.16832%0.32CS..Hα-helixtrans-62.8-30.3-173.3-78.5-17611.400114.3R63 I66 P67 L68 D75R63-Q71 PolarHBondContact NH1-O 2.72Å; R63-Q71 PolarHBondContact O-NE2 2.94Å; I66-Q71 HydrophobicContact CB-CG 4.14Å; I66-Q71 HydrophobicContact CG2-CG 4.13Å; I66-Q71 PolarHBondContact O-NE2 2.98Å; P67-Q71 PolarHBondContact O-N 3.31Å; L68-Q71 PolarHBondContact O-N 3.22Å; Q71-D75 VanDerWaalsContact O-CG 3.28Å; Q71-D75 PolarHBondContact O-N 3.41Å; Q71-D75 VanDerWaalsContact O-OD2 3.11Å
72V94.3Very high91.6Very high101 Ų10166.4 Ų66.461%0.61233%0.331SS*.Hα-helixtrans-74.2-29.6177.6179.30000112H70 Q76H70-V72 VanDerWaalsContact C-N 3.29Å; H70-V72 PolarHBondContact O-N 3Å; V72-Q76 WeakPolarHBondContact O-CG 3.36Å; V72-Q76 PolarHBondContact O-NE2 2.91Å
73E93.1Very high91Very high82 Ų8275.8 Ų75.838%0.38337%0.366SS..Hα-helixtrans-81.5-38.6176.9-177.7179.2-168.900110.7L39 H70 D75 Q76 F77L39-E73 HydrophobicContact CD1-CB 3.63Å; L39-E73 HydrophobicContact CD1-CG 3.6Å; H70-E73 PolarHBondContact O-N 2.95Å; H70-E73 VanDerWaalsContact O-N 3.11Å; E73-D75 VanDerWaalsContact C-N 3.32Å; E73-D75 PolarHBondContact O-N 2.83Å; E73-Q76 WeakPolarHBondContact O-CB 3.29Å; E73-Q76 PolarHBondContact O-N 2.71Å; E73-F77 HydrophobicContact CG-CD2 4Å; E73-F77 HydrophobicContact CG-CE2 3.59Å; E73-F77 WeakPolarHBondContact O-CD2 3.41Å; E73-F77 PolarHBondContact O-N 2.97Å
74Y94.4Very high90.8Very high2 Ų280.8 Ų80.81%0.00839%0.39CS..Hα-helixtrans-54.4-46.4169.8-173.7-100.7000111.5L39 L42 V43 L46 F59 I62 R63 I66 H70 Q76 F77 T78L39-Y74 HydrophobicContact CD2-CD2 3.75Å; L39-Y74 HydrophobicContact CD2-CG 4.48Å; L42-Y74 HydrophobicContact CD2-CD2 4.42Å; L42-Y74 HydrophobicContact CD2-CE2 4.1Å; V43-Y74 HydrophobicContact CG2-CD2 3.99Å; V43-Y74 HydrophobicContact CG2-CE2 4.02Å; L46-Y74 HydrophobicContact CD1-CE2 4.44Å; F59-Y74 PolarHBondContact O-OH 3.43Å; I62-Y74 WeakPolarHBondContact CB-OH 3.37Å; I62-Y74 HydrophobicContact CG2-CE2 4.3Å; I62-Y74 VanDerWaalsContact CG2-OH 3.28Å; I62-Y74 WeakPolarHBondContact CG2-OH 3.26Å; R63-Y74 HydrophobicContact CB-CD1 4.31Å; R63-Y74 HydrophobicContact CB-CE1 3.9Å; I66-Y74 HydrophobicContact CD1-CD2 4.1Å; I66-Y74 HydrophobicContact CD1-CE2 3.99Å; I66-Y74 HydrophobicContact CG1-CD1 4.38Å; I66-Y74 HydrophobicContact CG1-CD2 3.85Å; I66-Y74 HydrophobicContact CG1-CE1 4.42Å; I66-Y74 HydrophobicContact CG1-CE2 3.9Å; I66-Y74 HydrophobicContact CG1-CG 4.09Å; I66-Y74 HydrophobicContact CG2-CG 4.5Å; H70-Y74 PolarHBondContact O-N 2.89Å; Y74-Q76 PolarHBondContact O-N 2.75Å; Y74-Q76 VanDerWaalsContact O-N 3.11Å; Y74-F77 PolarHBondContact O-N 3.45Å; Y74-T78 HydrophobicContact CD1-CG2 3.82Å; Y74-T78 HydrophobicContact CD2-CG2 4.13Å; Y74-T78 HydrophobicContact CE1-CG2 3.52Å; Y74-T78 HydrophobicContact CE2-CG2 3.85Å; Y74-T78 HydrophobicContact CG-CG2 4.13Å; Y74-T78 WeakPolarHBondContact O-CG2 3.15Å; Y74-T78 PolarHBondContact O-N 2.83Å; Y74-T78 PolarHBondContact O-OG1 3.11Å; Y74-T78 VanDerWaalsContact O-OG1 3.05Å
75D91.9Very high90.8Very high60 Ų6081.5 Ų81.532%0.32139%0.389SS..Hα-helixtrans-62.6-15.8176.1-70.6-30.4000114.8R63 Q71 E73R63-D75 VanDerWaalsContact CZ-CG 3.47Å; R63-D75 IonicContact CZ-OD1 2.73Å; R63-D75 IonicContact CZ-OD2 3.88Å; R63-D75 IonicContact NE-OD1 2.87Å; R63-D75 IonicContact NH1-OD1 3.5Å; R63-D75 PolarHBondContact NH1-OD1 2.96Å; R63-D75 IonicContact NH1-OD2 2.61Å; R63-D75 PolarHBondContact NH1-OD2 3.33Å; R63-D75 IonicContact NH2-OD1 3.31Å; R63-D75 IonicContact NH2-OD2 2.75Å; R63-D75 PolarHBondContact NH2-OD2 2.83Å; Q71-D75 VanDerWaalsContact O-CG 3.28Å; Q71-D75 PolarHBondContact O-N 3.41Å; Q71-D75 VanDerWaalsContact O-OD2 3.11Å; E73-D75 VanDerWaalsContact C-N 3.32Å; E73-D75 PolarHBondContact O-N 2.83Å
76Q89.8Confident90.9Very high136 Ų13682.1 Ų82.164%0.63639%0.389SS*.Hα-helixtrans-89.5-36.2176.4-69.5169.170.800111.7V72 E73 Y74V72-Q76 WeakPolarHBondContact O-CG 3.36Å; V72-Q76 PolarHBondContact O-NE2 2.91Å; E73-Q76 WeakPolarHBondContact O-CB 3.29Å; E73-Q76 PolarHBondContact O-N 2.71Å; Y74-Q76 PolarHBondContact O-N 2.75Å; Y74-Q76 VanDerWaalsContact O-N 3.11Å
77F87.6Confident91.1Very high83 Ų8387 Ų8736%0.36441%0.411SS..Hα-helixtrans-82.9-30.8176.6-67.5-58.1000113.4L39 P40 V43 E73 Y74L39-F77 HydrophobicContact CB-CD2 4.39Å; L39-F77 HydrophobicContact CB-CE2 4.49Å; P40-F77 HydrophobicContact CG-CE2 3.9Å; P40-F77 HydrophobicContact CG-CZ 3.82Å; V43-F77 HydrophobicContact CB-CB 4.05Å; V43-F77 HydrophobicContact CG1-CB 3.96Å; V43-F77 HydrophobicContact CG2-CB 3.95Å; E73-F77 HydrophobicContact CG-CD2 4Å; E73-F77 HydrophobicContact CG-CE2 3.59Å; E73-F77 WeakPolarHBondContact O-CD2 3.41Å; E73-F77 PolarHBondContact O-N 2.97Å; Y74-F77 PolarHBondContact O-N 3.45Å
78T89.9Confident91.2Very high15 Ų1585.4 Ų85.49%0.09240%0.401CS..SBendtrans-75.2146.817757.60000112.5V43 F59 Y74 K80V43-T78 HydrophobicContact CG1-CG2 4.47Å; V43-T78 HydrophobicContact CG2-CG2 4.36Å; F59-T78 HydrophobicContact CB-CG2 4.3Å; F59-T78 HydrophobicContact CD1-CG2 3.47Å; F59-T78 VanDerWaalsContact CD1-CG2 3.47Å; F59-T78 HydrophobicContact CE1-CG2 3.95Å; F59-T78 HydrophobicContact CG-CG2 4.02Å; Y74-T78 HydrophobicContact CD1-CG2 3.82Å; Y74-T78 HydrophobicContact CD2-CG2 4.13Å; Y74-T78 HydrophobicContact CE1-CG2 3.52Å; Y74-T78 HydrophobicContact CE2-CG2 3.85Å; Y74-T78 HydrophobicContact CG-CG2 4.13Å; Y74-T78 WeakPolarHBondContact O-CG2 3.15Å; Y74-T78 PolarHBondContact O-N 2.83Å; Y74-T78 PolarHBondContact O-OG1 3.11Å; Y74-T78 VanDerWaalsContact O-OG1 3.05Å; T78-K80 PolarHBondContact O-N 3.39Å
79P85.7Confident91.2Very high29 Ų2986.3 Ų86.319%0.18839%0.394CS..PPolyproline II helixtrans-63.1129.2176.2-8.220000110.8L56 F59 F184L56-P79 HydrophobicContact CD2-CG 4.29Å; F59-P79 HydrophobicContact CD2-CG 4.27Å; F59-P79 HydrophobicContact CE2-CG 3.77Å; F59-P79 HydrophobicContact CZ-CG 4.38Å; P79-F184 HydrophobicContact CB-CD1 4.21Å; P79-F184 HydrophobicContact CB-CE1 4.22Å; P79-F184 HydrophobicContact CG-CD1 3.56Å; P79-F184 HydrophobicContact CG-CE1 3.28Å; P79-F184 HydrophobicContact CG-CZ 4.3Å
80K82.2Confident91.2Very high144 Ų14479.3 Ų79.363%0.62636%0.364SS*.PPolyproline II helixtrans-72.1137175.5-66.6175.3-175.5171.10109.2T78 H166T78-K80 PolarHBondContact O-N 3.39Å; K80-H166 PolarHBondContact O-CD2 3.27Å
81R85.5Confident90.9Very high88 Ų8880.5 Ų80.533%0.33237%0.371SS..  trans-130.9138.7-179167.2173-89.9-157.8-13.1110.3P53 L56 H166P53-R81 PolarHBondContact O-NH2 3.49Å; L56-R81 VanDerWaalsContact CB-CZ 3.45Å; R81-H166 WeakPolarHBondContact CA-O 2.74Å
82S85.6Confident90.5Very high42 Ų4283.2 Ų83.229%0.29438%0.38SS..  trans-117.4124.3171.5-178.30000111.4K84 H166S82-K84 VanDerWaalsContact C-N 3.33Å; S82-K84 PolarHBondContact OG-N 2.92Å; S82-K84 PolarHBondContact OG-O 2.95Å; S82-H166 PolarHBondContact N-O 3.25Å
83R83.5Confident89.8Confident197 Ų19782.9 Ų82.974%0.74338%0.378SS*.  trans-81.4-14.6164.4-56.2-173.6-166.5-162.63.1112.5D60D60-R83 IonicContact OD2-NH2 2.78Å; D60-R83 PolarHBondContact OD2-NH2 2.76Å; D60-R83 VanDerWaalsContact OD2-NH2 3.08Å
84K90.8Very high88.9Confident175 Ų17583.3 Ų83.376%0.76138%0.38SS*.SBendtrans-80.8127.6175.6-63.6-178179.6-179.50109.2S82S82-K84 VanDerWaalsContact C-N 3.33Å; S82-K84 PolarHBondContact OG-N 2.92Å; S82-K84 PolarHBondContact OG-O 2.95Å
85L94Very high87.4Confident87 Ų8794.8 Ų94.846%0.45542%0.423SS..  trans-71.9138.4170.9-57-172.5000110.1V135 V164 R165L85-V135 HydrophobicContact CD1-CG2 4.09Å; L85-V135 HydrophobicContact CD2-CG2 3.82Å; L85-V164 CarbonylContact C-O 3.53Å; L85-V164 VanDerWaalsContact CA-O 3.32Å; L85-V164 WeakPolarHBondContact CA-O 3.07Å; L85-R165 HydrophobicContact CD2-CB 3.92Å; L85-R165 HydrophobicContact CD2-CG 4.47Å
86K95.4Very high86.3Confident85 Ų8598.8 Ų98.837%0.3744%0.444SS..EExtended strand (participates in β ladder)trans-107.1128.1170-178.9-179.6176.7173.50108.6V88 V126 G127 K163 V164K86-V88 HydrophobicContact CD-CG1 4.25Å; K86-V88 HydrophobicContact CG-CG1 4.18Å; K86-V126 WeakPolarHBondContact CE-O 3.44Å; K86-V126 PolarHBondContact NZ-O 2.83Å; K86-G127 PolarHBondContact NZ-O 2.96Å; K86-K163 CarbonylContact O-C 3.57Å; K86-K163 WeakPolarHBondContact O-CA 3.37Å; K86-V164 HydrophobicContact CB-CG2 3.97Å; K86-V164 PolarHBondContact N-O 3.39Å; K86-V164 PolarHBondContact O-N 2.9Å
87E96.7Very high85.8Confident106 Ų10693.5 Ų93.550%0.49543%0.427SS..EExtended strand (participates in β ladder)trans-98.9132.5170.2-177.9158.4-147.900109.8S161 L162 K163E87-S161 WeakPolarHBondContact CG-OG 3.34Å; E87-S161 PolarHBondContact OE1-OG 3.25Å; E87-L162 WeakPolarHBondContact CA-O 3.22Å; E87-K163 HydrophobicContact CB-CG 4.16Å; E87-K163 HydrophobicContact CG-CG 4.21Å; E87-K163 WeakPolarHBondContact OE1-CE 3.42Å; E87-K163 IonicContact OE1-NZ 2.57Å; E87-K163 WeakPolarHBondContact OE2-CE 3.44Å; E87-K163 IonicContact OE2-NZ 2.72Å; E87-K163 PolarHBondContact OE2-NZ 3.31Å
88V96.7Very high85.5Confident11 Ų1190.9 Ų90.97%0.06742%0.417CS..EExtended strand (participates in β ladder)trans-132.5154.1172.6-60.50000110K86 V126 L128 S161 L162K86-V88 HydrophobicContact CD-CG1 4.25Å; K86-V88 HydrophobicContact CG-CG1 4.18Å; V88-V126 HydrophobicContact CB-CB 4.17Å; V88-V126 HydrophobicContact CB-CG2 3.92Å; V88-V126 HydrophobicContact CG1-CB 4.03Å; V88-V126 HydrophobicContact CG1-CG2 3.94Å; V88-V126 HydrophobicContact CG2-CG2 4.16Å; V88-L128 HydrophobicContact CG1-CD2 4.48Å; V88-L128 HydrophobicContact CG2-CD1 3.95Å; V88-L128 HydrophobicContact CG2-CD2 3.86Å; V88-L128 HydrophobicContact CG2-CG 4Å; V88-S161 WeakPolarHBondContact O-CA 3.5Å; V88-S161 PolarHBondContact O-OG 3.09Å; V88-L162 HydrophobicContact CG2-CB 4.02Å; V88-L162 PolarHBondContact N-O 3.38Å; V88-L162 PolarHBondContact O-N 3Å
89R95.8Very high85.1Confident163 Ų16390.7 Ų90.762%0.61542%0.417SS*.EExtended strand (participates in β ladder)trans-120.9133.4175.1-67.2176.464.8-176.5-0.6109.2I159 V160R89-I159 HydrophobicContact CB-CG2 4.08Å; R89-V160 WeakPolarHBondContact CA-O 3.44Å
90L92.6Very high85Confident1 Ų190.6 Ų90.61%0.00542%0.415CS..EExtended strand (participates in β ladder)trans-127.4140.2179.9-59169.8000110.1L98 L100 Q122 V126 L128 I159 V160 L162L90-L98 HydrophobicContact CB-CD2 3.5Å; L90-L98 HydrophobicContact CD1-CB 4.49Å; L90-L98 HydrophobicContact CD1-CD2 4.01Å; L90-L98 HydrophobicContact CG-CD2 4.38Å; L90-L100 HydrophobicContact CD1-CD2 3.64Å; L90-Q122 VanDerWaalsContact CA-OE1 3.27Å; L90-Q122 HydrophobicContact CD2-CB 4.23Å; L90-Q122 HydrophobicContact CD2-CG 3.8Å; L90-V126 HydrophobicContact CD2-CG1 4.01Å; L90-V126 HydrophobicContact CD2-CG2 3.73Å; L90-L128 HydrophobicContact CD1-CD1 4.13Å; L90-I159 CarbonylContact O-C 3.56Å; L90-I159 VanDerWaalsContact O-CA 3.29Å; L90-I159 WeakPolarHBondContact O-CA 3.32Å; L90-V160 HydrophobicContact CB-CG1 3.93Å; L90-V160 PolarHBondContact N-O 2.93Å; L90-V160 PolarHBondContact O-N 3.23Å; L90-L162 HydrophobicContact CD1-CD1 3.93Å
91D89.8Confident85.1Confident48 Ų4886 Ų8626%0.25740%0.401SS..EExtended strand (participates in β ladder)trans-98.9117.7177.6-173.5-11.3000110.6T93 Q94 Q122D91-T93 VanDerWaalsContact CG-OG1 3.26Å; D91-T93 PolarHBondContact O-N 3.21Å; D91-T93 WeakPolarHBondContact OD1-CB 3.41Å; D91-T93 PolarHBondContact OD1-N 2.75Å; D91-T93 PolarHBondContact OD1-OG1 2.85Å; D91-T93 PolarHBondContact OD2-OG1 3.23Å; D91-Q94 HydrophobicContact CB-CG 4.3Å; D91-Q122 PolarHBondContact O-NE2 2.91Å
92R84.9Confident85.1Confident93 Ų9382.9 Ų82.935%0.35139%0.392SS..THydrogen-bonded Turntrans-77.6-3.3178.4-70.1177.550.6-120.5-1.1114L98 I154 K155 K157 K158R92-L98 HydrophobicContact CG-CD1 4.28Å; R92-L98 HydrophobicContact CG-CD2 3.66Å; R92-L98 HydrophobicContact CG-CG 4.08Å; R92-I154 WeakPolarHBondContact CD-O 3.15Å; R92-K155 VanDerWaalsContact NH1-C 3.35Å; R92-K155 PolarHBondContact NH1-O 3.46Å; R92-K157 PolarHBondContact NH1-O 2.91Å; R92-K158 WeakPolarHBondContact CB-O 3.47Å; R92-K158 PolarHBondContact N-O 2.76Å
93T80.9Confident85.1Confident93 Ų9384.1 Ų84.157%0.57139%0.39SS*.THydrogen-bonded Turntrans-90-4.2175.869.40000113.5D91 K158D91-T93 VanDerWaalsContact CG-OG1 3.26Å; D91-T93 PolarHBondContact O-N 3.21Å; D91-T93 WeakPolarHBondContact OD1-CB 3.41Å; D91-T93 PolarHBondContact OD1-N 2.75Å; D91-T93 PolarHBondContact OD1-OG1 2.85Å; D91-T93 PolarHBondContact OD2-OG1 3.23Å; T93-K158 HydrophobicContact CG2-CB 4.25Å; T93-K158 HydrophobicContact CG2-CD 4.13Å; T93-K158 HydrophobicContact CG2-CG 4.18Å
94Q72.6Confident85.3Confident91 Ų9175.1 Ų75.143%0.42536%0.358SS..SBendtrans-66.6142.5169.7-64.8-168.80.400111.2D91 D96 G97 Q122D91-Q94 HydrophobicContact CB-CG 4.3Å; Q94-D96 PolarHBondContact O-N 2.85Å; Q94-G97 PolarHBondContact O-N 3.12Å; Q94-Q122 VanDerWaalsContact CD-CD 3.45Å; Q94-Q122 VanDerWaalsContact OE1-CG 3.25Å; Q94-Q122 VanDerWaalsContact OE1-NE2 3.13Å
95R63.9Low84.8Confident244 Ų24466.9 Ų66.992%0.92132%0.323SS*.THydrogen-bonded Turntrans-61-34-171-157.4-178-163.5-145.23.3113.3G97R95-G97 VanDerWaalsContact C-N 3.31Å
96D68Low84.4Confident143 Ų14367.3 Ų67.377%0.76533%0.325SS*.THydrogen-bonded Turntrans-95.711.8-177.9-37.6-64.2000111.8Q94Q94-D96 PolarHBondContact O-N 2.85Å
97G78.9Confident83.8Confident26 Ų2667.6 Ų67.627%0.26833%0.328SS..THydrogen-bonded Turntrans65.9-143.1177.600000114.1Q94 R95 Q122Q94-G97 PolarHBondContact O-N 3.12Å; R95-G97 VanDerWaalsContact C-N 3.31Å; G97-Q122 PolarHBondContact O-NE2 3.32Å
98L81.8Confident83.1Confident28 Ų2866.9 Ų66.915%0.14732%0.324CS..THydrogen-bonded Turntrans-84.4-22.9-178.5-63.7-179.7000113.3L90 R92 L100 A123 I154 V160L90-L98 HydrophobicContact CB-CD2 3.5Å; L90-L98 HydrophobicContact CD1-CB 4.49Å; L90-L98 HydrophobicContact CD1-CD2 4.01Å; L90-L98 HydrophobicContact CG-CD2 4.38Å; R92-L98 HydrophobicContact CG-CD1 4.28Å; R92-L98 HydrophobicContact CG-CD2 3.66Å; R92-L98 HydrophobicContact CG-CG 4.08Å; L98-L100 VanDerWaalsContact C-N 3.35Å; L98-L100 HydrophobicContact CB-CD2 4.25Å; L98-L100 HydrophobicContact CB-CG 4.11Å; L98-A123 WeakPolarHBondContact O-CB 3.35Å; L98-A123 PolarHBondContact O-N 2.85Å; L98-I154 HydrophobicContact CD1-CG2 3.78Å; L98-V160 HydrophobicContact CD1-CG1 4.47Å; L98-V160 HydrophobicContact CD2-CG1 4.06Å
99G80.8Confident82.6Confident10 Ų1069.6 Ų69.610%0.10335%0.353CS..  trans65.929.3-175.300000114.9I117 V118G99-I117 WeakPolarHBondContact O-CA 3.43Å; G99-V118 PolarHBondContact O-N 3.03Å
100L84.7Confident82.3Confident27 Ų2762.6 Ų62.614%0.14133%0.329CS..EExtended strand (participates in β ladder)trans-142.1154177.268.990.7000112L90 L98 V102 I114 Q116 I117 A123 L128 L162L90-L100 HydrophobicContact CD1-CD2 3.64Å; L98-L100 VanDerWaalsContact C-N 3.35Å; L98-L100 HydrophobicContact CB-CD2 4.25Å; L98-L100 HydrophobicContact CB-CG 4.11Å; L100-V102 HydrophobicContact CD1-CG1 3.59Å; L100-I114 HydrophobicContact CB-CG2 4.38Å; L100-Q116 CarbonylContact C-O 3.55Å; L100-Q116 WeakPolarHBondContact CA-O 3.43Å; L100-I117 HydrophobicContact CB-CG1 4.49Å; L100-A123 HydrophobicContact CB-CB 3.75Å; L100-A123 HydrophobicContact CD2-CB 3.85Å; L100-A123 HydrophobicContact CG-CB 4.34Å; L100-L128 HydrophobicContact CD2-CD1 3.84Å; L100-L162 HydrophobicContact CD2-CD1 4.2Å
101S84.7Confident82.1Confident48 Ų4863.5 Ų63.534%0.33634%0.339SS..EExtended strand (participates in β ladder)trans-123.6131.5173.4-47.50000110.5S115 Q116S101-S115 PolarHBondContact O-N 2.92Å; S101-S115 PolarHBondContact O-OG 3.44Å; S101-Q116 PolarHBondContact N-O 3.45Å; S101-Q116 PolarHBondContact O-N 2.98Å
102V85.5Confident82.2Confident23 Ų2361.3 Ų61.314%0.13933%0.327CS..EExtended strand (participates in β ladder)trans-107.5159.6-179.8-63.60000112.2L100 L112 Y113 I134 I151L100-V102 HydrophobicContact CD1-CG1 3.59Å; V102-L112 HydrophobicContact CB-CD1 4.13Å; V102-L112 HydrophobicContact CB-CD2 3.87Å; V102-L112 HydrophobicContact CB-CG 4Å; V102-L112 HydrophobicContact CG1-CD2 3.82Å; V102-L112 HydrophobicContact CG1-CG 4.41Å; V102-L112 HydrophobicContact CG2-CD1 4.21Å; V102-L112 HydrophobicContact CG2-CD2 4.23Å; V102-Y113 CarbonylContact C-O 3.52Å; V102-Y113 WeakPolarHBondContact CA-O 3.35Å; V102-I134 HydrophobicContact CG1-CD1 3.68Å; V102-I151 HydrophobicContact CG2-CD1 3.7Å
103R86.1Confident82.7Confident68 Ų6857.2 Ų57.226%0.25731%0.312SS..EExtended strand (participates in β ladder)trans-153.1173.2171.865.8169.264.8169.1-1.3111.2L112 Y113 S115 I170 P171 F188R103-L112 CarbonylContact O-C 3.17Å; R103-L112 WeakPolarHBondContact O-CA 3.32Å; R103-Y113 PolarHBondContact N-O 3.45Å; R103-Y113 PolarHBondContact O-N 2.91Å; R103-S115 VanDerWaalsContact NE-CB 3.3Å; R103-I170 VanDerWaalsContact NH1-CG2 3.29Å; R103-P171 WeakPolarHBondContact CD-O 3.35Å; R103-P171 HydrophobicContact CG-CG 4.06Å; R103-P171 PolarHBondContact NH1-O 2.92Å; R103-F188 VanDerWaalsContact NH2-CZ 3.27Å
104G86.3Confident83.2Confident7 Ų752.8 Ų52.87%0.07229%0.285CS..EExtended strand (participates in β ladder)trans78.7-174.4-170.500000111.2L112 H147G104-L112 WeakPolarHBondContact O-CD1 3.35Å; G104-H147 PolarHBondContact O-ND1 3.43Å
105G81.6Confident83.9Confident3 Ų348.8 Ų48.83%0.03127%0.267CS..EExtended strand (participates in β ladder)trans137.3158.8-161.900000109.8E107 F108 C110 G111G105-E107 VanDerWaalsContact CA-OE2 3.24Å; G105-E107 WeakPolarHBondContact CA-OE2 3.15Å; G105-E107 PolarHBondContact O-N 3.03Å; G105-F108 WeakPolarHBondContact O-CB 3.17Å; G105-F108 PolarHBondContact O-N 3.29Å; G105-C110 CarbonylContact C-O 3.58Å; G105-C110 WeakPolarHBondContact CA-O 3.43Å; G105-C110 PolarHBondContact N-O 2.89Å; G105-C110 VanDerWaalsContact N-O 3.1Å; G105-G111 PolarHBondContact N-O 3.36Å
106L85.3Confident84.8Confident95 Ų9541.7 Ų41.750%0.49724%0.244SC..G310 helixtrans-54.2-36.8-174.3-17963.7000113F108 G109 C145 I146L106-F108 PolarHBondContact O-N 2.64Å; L106-G109 PolarHBondContact O-N 3.45Å; L106-C145 WeakPolarHBondContact CB-O 3.43Å; L106-C145 PolarHBondContact N-O 3.38Å; L106-I146 HydrophobicContact CB-CG2 4.25Å
107E82.1Confident85.5Confident92 Ų9236.4 Ų36.443%0.4322%0.215SC..G310 helixtrans-65.7-18.5178.674.1-82.9-129.600113.5G105 I146 H147G105-E107 VanDerWaalsContact CA-OE2 3.24Å; G105-E107 WeakPolarHBondContact CA-OE2 3.15Å; G105-E107 PolarHBondContact O-N 3.03Å; E107-I146 HydrophobicContact CB-CG2 4.11Å; E107-I146 VanDerWaalsContact OE2-CA 3.3Å; E107-I146 WeakPolarHBondContact OE2-CA 3.24Å; E107-H147 WeakPolarHBondContact OE1-CB 3.21Å; E107-H147 PolarHBondContact OE1-N 3.38Å; E107-H147 PolarHBondContact OE2-N 2.79Å; E107-H147 VanDerWaalsContact OE2-N 3.13Å
108F82.4Confident85.6Confident91 Ų9139.4 Ų39.440%0.39923%0.228SC..G310 helixtrans-98.58.1174.7-56.6-75.7000112.8G105 L106 C110 H147G105-F108 WeakPolarHBondContact O-CB 3.17Å; G105-F108 PolarHBondContact O-N 3.29Å; L106-F108 PolarHBondContact O-N 2.64Å; F108-C110 PolarHBondContact O-N 2.93Å; F108-C110 PolarHBondContact O-SG 3.13Å; F108-H147 HydrophobicContact CE2-CB 4.18Å
109G84.9Confident85.6Confident67 Ų6744.9 Ų44.969%0.69125%0.251SS*.THydrogen-bonded Turntrans65.121.2-17800000114.4L106L106-G109 PolarHBondContact O-N 3.45Å
110C90.4Very high85.7Confident16 Ų1648.7 Ų48.711%0.10827%0.269CS..EExtended strand (participates in β ladder)trans-147.1159.5-176.257.70000113.4G105 F108 L180 W182G105-C110 CarbonylContact C-O 3.58Å; G105-C110 WeakPolarHBondContact CA-O 3.43Å; G105-C110 PolarHBondContact N-O 2.89Å; G105-C110 VanDerWaalsContact N-O 3.1Å; F108-C110 PolarHBondContact O-N 2.93Å; F108-C110 PolarHBondContact O-SG 3.13Å; C110-L180 HydrophobicContact CB-CD2 3.82Å; C110-W182 HydrophobicContact CB-CH2 3.8Å; C110-W182 HydrophobicContact CB-CZ2 3.69Å
111G88.7Confident85.7Confident20 Ų2048.2 Ų48.221%0.20627%0.27CS..EExtended strand (participates in β ladder)trans-64-179.5171.600000113.2G105 Y113G105-G111 PolarHBondContact N-O 3.36Å; G111-Y113 WeakPolarHBondContact O-CD2 3.23Å; G111-Y113 WeakPolarHBondContact O-CE2 3.3Å
112L92.4Very high85.9Confident2 Ų247 Ų471%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-93.2124.3179.3-166.790.1000111.8V102 R103 G104 E133 I134 V150V102-L112 HydrophobicContact CB-CD1 4.13Å; V102-L112 HydrophobicContact CB-CD2 3.87Å; V102-L112 HydrophobicContact CB-CG 4Å; V102-L112 HydrophobicContact CG1-CD2 3.82Å; V102-L112 HydrophobicContact CG1-CG 4.41Å; V102-L112 HydrophobicContact CG2-CD1 4.21Å; V102-L112 HydrophobicContact CG2-CD2 4.23Å; R103-L112 CarbonylContact O-C 3.17Å; R103-L112 WeakPolarHBondContact O-CA 3.32Å; G104-L112 WeakPolarHBondContact O-CD1 3.35Å; L112-E133 CarbonylContact O-C 3.47Å; L112-E133 WeakPolarHBondContact O-CA 3.36Å; L112-E133 WeakPolarHBondContact O-CG 3.31Å; L112-I134 HydrophobicContact CD2-CB 3.96Å; L112-I134 HydrophobicContact CD2-CD1 3.75Å; L112-I134 HydrophobicContact CD2-CG1 4.43Å; L112-I134 HydrophobicContact CD2-CG2 4.27Å; L112-I134 PolarHBondContact O-N 3.13Å; L112-V150 HydrophobicContact CD1-CB 4.37Å; L112-V150 HydrophobicContact CD1-CG1 3.8Å; L112-V150 HydrophobicContact CD2-CG1 3.4Å; L112-V150 VanDerWaalsContact CD2-CG1 3.4Å; L112-V150 HydrophobicContact CG-CG1 4.1Å
113Y93.9Very high86.1Confident8 Ų846 Ų463%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-118.5137.2-174.6-71.7-104.1000112.3V102 R103 G111 S115 D132 E133 V167 M169 P171 W182V102-Y113 CarbonylContact C-O 3.52Å; V102-Y113 WeakPolarHBondContact CA-O 3.35Å; R103-Y113 PolarHBondContact N-O 3.45Å; R103-Y113 PolarHBondContact O-N 2.91Å; G111-Y113 WeakPolarHBondContact O-CD2 3.23Å; G111-Y113 WeakPolarHBondContact O-CE2 3.3Å; Y113-S115 PolarHBondContact O-N 3.26Å; Y113-D132 WeakPolarHBondContact CA-O 3.41Å; Y113-E133 HydrophobicContact CD1-CB 4.15Å; Y113-E133 HydrophobicContact CD2-CG 4.33Å; Y113-E133 HydrophobicContact CE1-CB 3.73Å; Y113-E133 HydrophobicContact CE1-CG 4.17Å; Y113-E133 HydrophobicContact CE2-CB 4.24Å; Y113-E133 HydrophobicContact CE2-CG 3.75Å; Y113-E133 WeakPolarHBondContact CE2-OE1 3.46Å; Y113-E133 VanDerWaalsContact OH-CD 3.23Å; Y113-E133 PolarHBondContact OH-OE1 3.3Å; Y113-V167 HydrophobicContact CE1-CB 3.94Å; Y113-V167 HydrophobicContact CE1-CG1 4.09Å; Y113-V167 HydrophobicContact CE1-CG2 3.93Å; Y113-M169 WeakPolarHBondContact CD1-O 3.5Å; Y113-P171 HydrophobicContact CD2-CG 3.92Å; Y113-P171 HydrophobicContact CG-CG 4.12Å; Y113-W182 HydrophobicContact CD1-CZ3 4.23Å; Y113-W182 HydrophobicContact CD2-CH2 4.22Å; Y113-W182 HydrophobicContact CD2-CZ3 4.14Å; Y113-W182 HydrophobicContact CE1-CH2 4.34Å; Y113-W182 AromaticContact CE1-CZ3 3.79Å; Y113-W182 HydrophobicContact CE1-CZ3 3.79Å; Y113-W182 AromaticContact CE2-CH2 3.59Å; Y113-W182 HydrophobicContact CE2-CH2 3.59Å; Y113-W182 AromaticContact CE2-CZ3 3.78Å; Y113-W182 HydrophobicContact CE2-CZ3 3.78Å; Y113-W182 HydrophobicContact CG-CZ3 4.41Å; Y113-W182 AromaticContact CZ-CH2 3.67Å; Y113-W182 AromaticContact CZ-CZ3 3.6Å
114I91.8Very high86.3Confident0 Ų048.2 Ų48.20%026%0.262CS..EExtended strand (participates in β ladder)trans-74.3112.9169.6-57.1-175.8000108.4L100 I117 L128 V130 G131 D132 I134 I170L100-I114 HydrophobicContact CB-CG2 4.38Å; I114-I117 HydrophobicContact CG2-CD1 3.98Å; I114-I117 HydrophobicContact CG2-CG1 3.66Å; I114-L128 HydrophobicContact CD1-CB 4.09Å; I114-L128 HydrophobicContact CD1-CD1 3.91Å; I114-L128 HydrophobicContact CD1-CD2 3.95Å; I114-L128 HydrophobicContact CD1-CG 4.2Å; I114-V130 WeakPolarHBondContact O-CA 3.38Å; I114-G131 PolarHBondContact O-N 3.26Å; I114-D132 HydrophobicContact CB-CB 4.43Å; I114-D132 HydrophobicContact CD1-CB 4.05Å; I114-D132 HydrophobicContact CG1-CB 4.29Å; I114-D132 PolarHBondContact N-O 3.42Å; I114-I134 HydrophobicContact CD1-CD1 4Å; I114-I134 HydrophobicContact CD1-CG1 4.24Å; I114-I134 HydrophobicContact CG1-CD1 3.63Å; I114-I134 HydrophobicContact CG1-CG1 4.07Å; I114-I170 VanDerWaalsContact O-CD1 3.26Å; I114-I170 WeakPolarHBondContact O-CD1 3.41Å
115S87.2Confident86.6Confident7 Ų753.2 Ų53.25%0.04929%0.287CS..EExtended strand (participates in β ladder)trans-99.1-27.1-177.860.60000113.8S101 R103 Y113 V130 F188S101-S115 PolarHBondContact O-N 2.92Å; S101-S115 PolarHBondContact O-OG 3.44Å; R103-S115 VanDerWaalsContact NE-CB 3.3Å; Y113-S115 PolarHBondContact O-N 3.26Å; S115-V130 WeakPolarHBondContact O-CG1 3.34Å; S115-F188 VanDerWaalsContact O-CE1 3.31Å; S115-F188 WeakPolarHBondContact O-CE1 3.02Å
116Q83.8Confident87.2Confident94 Ų9455.3 Ų55.344%0.43930%0.3SS..EExtended strand (participates in β ladder)trans-140.2151.2174.5-58.3179.6-10.800110.6L100 S101L100-Q116 CarbonylContact C-O 3.55Å; L100-Q116 WeakPolarHBondContact CA-O 3.43Å; S101-Q116 PolarHBondContact N-O 3.45Å; S101-Q116 PolarHBondContact O-N 2.98Å
117I81.6Confident87.6Confident33 Ų3352.2 Ų52.217%0.16929%0.291CS..EExtended strand (participates in β ladder)trans-135.3133.5172.3-66.5-175.8000108.1G99 L100 I114 K119 A123 Y124 L128 V130G99-I117 WeakPolarHBondContact O-CA 3.43Å; L100-I117 HydrophobicContact CB-CG1 4.49Å; I114-I117 HydrophobicContact CG2-CD1 3.98Å; I114-I117 HydrophobicContact CG2-CG1 3.66Å; I117-K119 PolarHBondContact O-N 3.17Å; I117-A123 HydrophobicContact CG2-CB 4.19Å; I117-Y124 HydrophobicContact CG2-CD2 4.34Å; I117-L128 HydrophobicContact CD1-CB 3.79Å; I117-L128 WeakPolarHBondContact CD1-O 3.33Å; I117-V130 HydrophobicContact CB-CG2 4.49Å; I117-V130 HydrophobicContact CG1-CG2 4.24Å
118V80.9Confident88.3Confident88 Ų8848.1 Ų48.153%0.53327%0.272SS..  trans-76.1119.2173.9179.90000108.3G99 D120 G121 Y124G99-V118 PolarHBondContact O-N 3.03Å; V118-D120 PolarHBondContact O-N 2.96Å; V118-G121 PolarHBondContact O-N 2.58Å; V118-G121 VanDerWaalsContact O-N 3.1Å; V118-Y124 WeakPolarHBondContact O-CB 3.35Å
119K82Confident88.8Confident143 Ų14349 Ų4962%0.62228%0.277SS*.THydrogen-bonded Turntrans-56.1137.8177.3-168.3-162.2172.6-94.20110I117 G121I117-K119 PolarHBondContact O-N 3.17Å; K119-G121 PolarHBondContact O-N 2.91Å
120D82.7Confident89.1Confident91 Ų9147 Ų4749%0.48725%0.251SS..THydrogen-bonded Turntrans60.92-178.2-42.6-44.9000114.7V118 Y124 N125V118-D120 PolarHBondContact O-N 2.96Å; D120-Y124 VanDerWaalsContact N-CD1 3.27Å; D120-N125 PolarHBondContact O-ND2 2.89Å
121G84.5Confident89.2Confident16 Ų1646.2 Ų46.217%0.16525%0.246CC..SBendtrans-82.9177.6175.200000113.6V118 K119 A123 Y124 N125V118-G121 PolarHBondContact O-N 2.58Å; V118-G121 VanDerWaalsContact O-N 3.1Å; K119-G121 PolarHBondContact O-N 2.91Å; G121-A123 PolarHBondContact O-N 3.27Å; G121-Y124 WeakPolarHBondContact O-CB 3.23Å; G121-Y124 PolarHBondContact O-N 2.84Å; G121-Y124 VanDerWaalsContact O-N 3.08Å; G121-N125 VanDerWaalsContact O-CG 3.26Å; G121-N125 PolarHBondContact O-N 3.23Å; G121-N125 PolarHBondContact O-ND2 2.93Å
122Q90.1Very high89.6Confident24 Ų2445.6 Ų45.611%0.11224%0.238CC..Hα-helixtrans-59.2-47.3-167.1-152.4-170.5159.400114.1L90 D91 Q94 G97 Y124 N125 V126L90-Q122 VanDerWaalsContact CA-OE1 3.27Å; L90-Q122 HydrophobicContact CD2-CB 4.23Å; L90-Q122 HydrophobicContact CD2-CG 3.8Å; D91-Q122 PolarHBondContact O-NE2 2.91Å; Q94-Q122 VanDerWaalsContact CD-CD 3.45Å; Q94-Q122 VanDerWaalsContact OE1-CG 3.25Å; Q94-Q122 VanDerWaalsContact OE1-NE2 3.13Å; G97-Q122 PolarHBondContact O-NE2 3.32Å; Q122-Y124 VanDerWaalsContact C-N 3.33Å; Q122-Y124 PolarHBondContact O-N 3.03Å; Q122-N125 PolarHBondContact O-N 3.23Å; Q122-V126 PolarHBondContact O-N 2.88Å; Q122-V126 VanDerWaalsContact O-N 3.15Å
123A89Confident89.7Confident0 Ų046.4 Ų46.40%024%0.242CC..Hα-helixtrans-58.4-41.2174.900000113.4L98 L100 I117 G121 V126 G127 L128L98-A123 WeakPolarHBondContact O-CB 3.35Å; L98-A123 PolarHBondContact O-N 2.85Å; L100-A123 HydrophobicContact CB-CB 3.75Å; L100-A123 HydrophobicContact CD2-CB 3.85Å; L100-A123 HydrophobicContact CG-CB 4.34Å; I117-A123 HydrophobicContact CG2-CB 4.19Å; G121-A123 PolarHBondContact O-N 3.27Å; A123-V126 VanDerWaalsContact O-CG2 3.27Å; A123-V126 WeakPolarHBondContact O-CG2 3.3Å; A123-G127 PolarHBondContact O-N 2.82Å; A123-L128 HydrophobicContact CB-CB 4.36Å; A123-L128 HydrophobicContact CB-CD1 3.99Å; A123-L128 WeakPolarHBondContact O-CB 3.47Å; A123-L128 PolarHBondContact O-N 2.81Å
124Y89.7Confident89.8Confident115 Ų11546.1 Ų46.145%0.45124%0.241SC..Hα-helixtrans-64.9-43177.6-178.8-97.4000111.1I117 V118 D120 G121 Q122 V126 G127I117-Y124 HydrophobicContact CG2-CD2 4.34Å; V118-Y124 WeakPolarHBondContact O-CB 3.35Å; D120-Y124 VanDerWaalsContact N-CD1 3.27Å; G121-Y124 WeakPolarHBondContact O-CB 3.23Å; G121-Y124 PolarHBondContact O-N 2.84Å; G121-Y124 VanDerWaalsContact O-N 3.08Å; Q122-Y124 VanDerWaalsContact C-N 3.33Å; Q122-Y124 PolarHBondContact O-N 3.03Å; Y124-V126 PolarHBondContact O-N 2.91Å; Y124-G127 VanDerWaalsContact O-CA 3.27Å; Y124-G127 WeakPolarHBondContact O-CA 3.3Å; Y124-G127 PolarHBondContact O-N 2.69Å
125N93.4Very high90Very high112 Ų11246.9 Ų46.960%0.59925%0.245SC*.Hα-helixtrans-70.1-28.7-177.4-63.8-26.4000113.3D120 G121 Q122D120-N125 PolarHBondContact O-ND2 2.89Å; G121-N125 VanDerWaalsContact O-CG 3.26Å; G121-N125 PolarHBondContact O-N 3.23Å; G121-N125 PolarHBondContact O-ND2 2.93Å; Q122-N125 PolarHBondContact O-N 3.23Å
126V94.9Very high90.4Very high48 Ų4851.6 Ų51.629%0.29126%0.262SS..THydrogen-bonded Turntrans-81.9-2.2167-56.40000113K86 V88 L90 Q122 A123 Y124 L128K86-V126 WeakPolarHBondContact CE-O 3.44Å; K86-V126 PolarHBondContact NZ-O 2.83Å; V88-V126 HydrophobicContact CB-CB 4.17Å; V88-V126 HydrophobicContact CB-CG2 3.92Å; V88-V126 HydrophobicContact CG1-CB 4.03Å; V88-V126 HydrophobicContact CG1-CG2 3.94Å; V88-V126 HydrophobicContact CG2-CG2 4.16Å; L90-V126 HydrophobicContact CD2-CG1 4.01Å; L90-V126 HydrophobicContact CD2-CG2 3.73Å; Q122-V126 PolarHBondContact O-N 2.88Å; Q122-V126 VanDerWaalsContact O-N 3.15Å; A123-V126 VanDerWaalsContact O-CG2 3.27Å; A123-V126 WeakPolarHBondContact O-CG2 3.3Å; Y124-V126 PolarHBondContact O-N 2.91Å; V126-L128 HydrophobicContact CG2-CD1 4.23Å; V126-L128 HydrophobicContact CG2-CG 4.04Å
127G93.8Very high90.9Very high30 Ų3047.1 Ų47.131%0.30924%0.241SC..THydrogen-bonded Turntrans69.937.917800000114.3K86 A123 Y124K86-G127 PolarHBondContact NZ-O 2.96Å; A123-G127 PolarHBondContact O-N 2.82Å; Y124-G127 VanDerWaalsContact O-CA 3.27Å; Y124-G127 WeakPolarHBondContact O-CA 3.3Å; Y124-G127 PolarHBondContact O-N 2.69Å
128L95.2Very high91.4Very high6 Ų646.7 Ų46.73%0.03124%0.239CC..  trans-67.3156.4160.3-72170.6000109.4V88 L90 L100 I114 I117 A123 V126 L162 V164V88-L128 HydrophobicContact CG1-CD2 4.48Å; V88-L128 HydrophobicContact CG2-CD1 3.95Å; V88-L128 HydrophobicContact CG2-CD2 3.86Å; V88-L128 HydrophobicContact CG2-CG 4Å; L90-L128 HydrophobicContact CD1-CD1 4.13Å; L100-L128 HydrophobicContact CD2-CD1 3.84Å; I114-L128 HydrophobicContact CD1-CB 4.09Å; I114-L128 HydrophobicContact CD1-CD1 3.91Å; I114-L128 HydrophobicContact CD1-CD2 3.95Å; I114-L128 HydrophobicContact CD1-CG 4.2Å; I117-L128 HydrophobicContact CD1-CB 3.79Å; I117-L128 WeakPolarHBondContact CD1-O 3.33Å; A123-L128 HydrophobicContact CB-CB 4.36Å; A123-L128 HydrophobicContact CB-CD1 3.99Å; A123-L128 WeakPolarHBondContact O-CB 3.47Å; A123-L128 PolarHBondContact O-N 2.81Å; V126-L128 HydrophobicContact CG2-CD1 4.23Å; V126-L128 HydrophobicContact CG2-CG 4.04Å; L128-L162 HydrophobicContact CD1-CD1 4.31Å; L128-V164 HydrophobicContact CD2-CB 4.33Å; L128-V164 HydrophobicContact CD2-CG1 3.73Å; L128-V164 HydrophobicContact CD2-CG2 3.71Å
129Q93.8Very high91.7Very high108 Ų10845.1 Ų45.151%0.50524%0.24SC..  trans-130.2150.9-178.8-59.2-168.8-110.600111.7G131 D132Q129-G131 PolarHBondContact O-N 3.39Å; Q129-D132 PolarHBondContact N-OD2 3.41Å; Q129-D132 VanDerWaalsContact O-CB 3.26Å; Q129-D132 WeakPolarHBondContact O-CB 3.32Å; Q129-D132 VanDerWaalsContact O-CG 3.28Å; Q129-D132 PolarHBondContact O-N 3.44Å; Q129-D132 VanDerWaalsContact O-N 3.14Å
130V91.9Very high92.1Very high26 Ų2645.1 Ų45.116%0.15824%0.238CC..THydrogen-bonded Turntrans-64.3133.3167.4178.80000108I114 S115 I117 H166 I170 V185 V189I114-V130 WeakPolarHBondContact O-CA 3.38Å; S115-V130 WeakPolarHBondContact O-CG1 3.34Å; I117-V130 HydrophobicContact CB-CG2 4.49Å; I117-V130 HydrophobicContact CG1-CG2 4.24Å; V130-H166 PolarHBondContact O-CE1 3.15Å; V130-I170 HydrophobicContact CG1-CD1 3.89Å; V130-I170 HydrophobicContact CG1-CG1 4.21Å; V130-V185 HydrophobicContact CB-CG1 4.08Å; V130-V185 HydrophobicContact CG1-CG1 3.91Å; V130-V185 HydrophobicContact CG1-CG2 4.3Å; V130-V185 WeakPolarHBondContact O-CG2 3.42Å; V130-V189 HydrophobicContact CG1-CG2 4.38Å
131G92.8Very high92.6Very high0 Ų043.4 Ų43.40%023%0.233CC..THydrogen-bonded Turntrans85.611.4-170.800000114.6I114 Q129 V167 G168I114-G131 PolarHBondContact O-N 3.26Å; Q129-G131 PolarHBondContact O-N 3.39Å; G131-V167 PolarHBondContact O-N 3.27Å; G131-G168 PolarHBondContact O-N 2.83Å; G131-G168 VanDerWaalsContact O-N 3.11Å
132D95.7Very high92.8Very high6 Ų642.9 Ų42.93%0.03223%0.226CC..EExtended strand (participates in β ladder)trans-76.3128.3160.7-76.6-10.8000110.4Y113 I114 Q129 V164 H166Y113-D132 WeakPolarHBondContact CA-O 3.41Å; I114-D132 HydrophobicContact CB-CB 4.43Å; I114-D132 HydrophobicContact CD1-CB 4.05Å; I114-D132 HydrophobicContact CG1-CB 4.29Å; I114-D132 PolarHBondContact N-O 3.42Å; Q129-D132 PolarHBondContact N-OD2 3.41Å; Q129-D132 VanDerWaalsContact O-CB 3.26Å; Q129-D132 WeakPolarHBondContact O-CB 3.32Å; Q129-D132 VanDerWaalsContact O-CG 3.28Å; Q129-D132 PolarHBondContact O-N 3.44Å; Q129-D132 VanDerWaalsContact O-N 3.14Å; D132-V164 HydrophobicContact CB-CB 4.17Å; D132-V164 HydrophobicContact CB-CG2 4.35Å; D132-H166 WeakPolarHBondContact OD1-CA 3.48Å; D132-H166 WeakPolarHBondContact OD1-CB 3.27Å; D132-H166 IonicContact OD1-CE1 2.67Å; D132-H166 IonicContact OD1-CG 3.72Å; D132-H166 IonicContact OD1-ND1 3.59Å; D132-H166 PolarHBondContact OD1-ND1 3.43Å
133E95.7Very high92.5Very high19 Ų1945.6 Ų45.69%0.08925%0.248CC..EExtended strand (participates in β ladder)trans-87.9127.5165.9-173.1-172.5-12200109.5L112 Y113 V135 V164 R165 V167L112-E133 CarbonylContact O-C 3.47Å; L112-E133 WeakPolarHBondContact O-CA 3.36Å; L112-E133 WeakPolarHBondContact O-CG 3.31Å; Y113-E133 HydrophobicContact CD1-CB 4.15Å; Y113-E133 HydrophobicContact CD2-CG 4.33Å; Y113-E133 HydrophobicContact CE1-CB 3.73Å; Y113-E133 HydrophobicContact CE1-CG 4.17Å; Y113-E133 HydrophobicContact CE2-CB 4.24Å; Y113-E133 HydrophobicContact CE2-CG 3.75Å; Y113-E133 WeakPolarHBondContact CE2-OE1 3.46Å; Y113-E133 VanDerWaalsContact OH-CD 3.23Å; Y113-E133 PolarHBondContact OH-OE1 3.3Å; E133-V135 HydrophobicContact CG-CG1 4.37Å; E133-V135 WeakPolarHBondContact OE2-CG1 3.23Å; E133-V164 CarbonylContact O-C 3.59Å; E133-V164 WeakPolarHBondContact O-CA 3.38Å; E133-V164 WeakPolarHBondContact O-CB 3.32Å; E133-R165 HydrophobicContact CB-CG 4.24Å; E133-R165 PolarHBondContact N-O 2.76Å; E133-R165 PolarHBondContact O-N 3.44Å; E133-R165 IonicContact OE2-CZ 2.68Å; E133-R165 IonicContact OE2-NE 2.68Å; E133-R165 PolarHBondContact OE2-NE 2.69Å; E133-R165 IonicContact OE2-NH2 3.96Å; E133-R165 PolarHBondContact OE2-NH2 2.86Å; E133-V167 HydrophobicContact CB-CG2 3.8Å
134I95.4Very high92.3Very high2 Ų249.6 Ų49.61%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-83.4113.2172.5-68.2158.2000108.1V102 L112 I114 I137 V142 L162 V164V102-I134 HydrophobicContact CG1-CD1 3.68Å; L112-I134 HydrophobicContact CD2-CB 3.96Å; L112-I134 HydrophobicContact CD2-CD1 3.75Å; L112-I134 HydrophobicContact CD2-CG1 4.43Å; L112-I134 HydrophobicContact CD2-CG2 4.27Å; L112-I134 PolarHBondContact O-N 3.13Å; I114-I134 HydrophobicContact CD1-CD1 4Å; I114-I134 HydrophobicContact CD1-CG1 4.24Å; I114-I134 HydrophobicContact CG1-CD1 3.63Å; I114-I134 HydrophobicContact CG1-CG1 4.07Å; I134-I137 HydrophobicContact CG2-CD1 3.81Å; I134-I137 HydrophobicContact CG2-CG1 3.55Å; I134-V142 HydrophobicContact CG2-CG2 4.27Å; I134-V142 VanDerWaalsContact O-CG2 3.23Å; I134-V142 WeakPolarHBondContact O-CG2 3.22Å; I134-L162 HydrophobicContact CD1-CD1 4.38Å; I134-L162 HydrophobicContact CG2-CD2 4.21Å; I134-V164 HydrophobicContact CB-CG1 4.41Å; I134-V164 HydrophobicContact CG1-CG1 3.65Å
135V95.8Very high91.8Very high17 Ų1745.1 Ų45.110%0.10326%0.261CS..EExtended strand (participates in β ladder)trans-99.6-23.4-176.7-60.70000113.5L85 E133 V142 K163 R165L85-V135 HydrophobicContact CD1-CG2 4.09Å; L85-V135 HydrophobicContact CD2-CG2 3.82Å; E133-V135 HydrophobicContact CG-CG1 4.37Å; E133-V135 WeakPolarHBondContact OE2-CG1 3.23Å; V135-V142 PolarHBondContact O-N 2.97Å; V135-K163 HydrophobicContact CG2-CB 4.07Å; V135-K163 VanDerWaalsContact CG2-O 3.31Å; V135-K163 WeakPolarHBondContact CG2-O 3.29Å; V135-K163 PolarHBondContact N-O 3.47Å; V135-R165 HydrophobicContact CG1-CG 3.94Å
136R96.1Very high91.4Very high105 Ų10543.1 Ų43.140%0.39625%0.25SS..EExtended strand (participates in β ladder)trans-145.3146.1173-67.2-177.8163.167.4-2.6112.2Y140 K163R136-Y140 CarbonylContact C-O 3.51Å; R136-Y140 WeakPolarHBondContact CA-O 3.44Å; R136-Y140 WeakPolarHBondContact CB-O 3.37Å; R136-Y140 WeakPolarHBondContact CG-O 3.2Å; R136-K163 HydrophobicContact CB-CB 4.06Å; R136-K163 HydrophobicContact CB-CG 4.29Å; R136-K163 PolarHBondContact N-O 3.15Å; R136-K163 PolarHBondContact O-N 2.9Å
137I94.6Very high90.7Very high0 Ų042.9 Ų42.90%025%0.245CC..EExtended strand (participates in β ladder)trans-128.9125.5175.8-55.7-168.8000108.8I134 G139 Y140 V142 V150 L153 I154 V160 S161 L162I134-I137 HydrophobicContact CG2-CD1 3.81Å; I134-I137 HydrophobicContact CG2-CG1 3.55Å; I137-G139 PolarHBondContact O-N 3.17Å; I137-Y140 PolarHBondContact N-O 3.22Å; I137-Y140 PolarHBondContact O-N 3Å; I137-V142 HydrophobicContact CB-CG1 4.13Å; I137-V142 HydrophobicContact CD1-CG1 4.05Å; I137-V142 HydrophobicContact CG1-CG1 3.81Å; I137-V142 HydrophobicContact CG1-CG2 4.37Å; I137-V150 HydrophobicContact CD1-CG1 3.63Å; I137-L153 HydrophobicContact CG2-CB 4.24Å; I137-I154 HydrophobicContact CD1-CD1 3.94Å; I137-I154 HydrophobicContact CD1-CG1 3.65Å; I137-I154 HydrophobicContact CG2-CG1 4.06Å; I137-V160 HydrophobicContact CG2-CG2 3.73Å; I137-S161 CarbonylContact C-O 3.5Å; I137-S161 WeakPolarHBondContact CA-O 3.46Å; I137-L162 HydrophobicContact CB-CD2 4.36Å; I137-L162 HydrophobicContact CD1-CD2 4.04Å; I137-L162 HydrophobicContact CG1-CD2 3.79Å; I137-L162 HydrophobicContact CG2-CD2 4.1Å
138N91.3Very high89.9Confident25 Ų2544.9 Ų44.913%0.13425%0.247CC..THydrogen-bonded Turntrans54.817.2179.8-68-34.9000115.7Y140 L153 T156 K157 V160 S161N138-Y140 HydrophobicContact CB-CD2 4.42Å; N138-L153 PolarHBondContact ND2-O 3.2Å; N138-L153 VanDerWaalsContact ND2-O 3.11Å; N138-T156 PolarHBondContact ND2-OG1 3.12Å; N138-K157 HydrophobicContact CB-CD 4.3Å; N138-V160 WeakPolarHBondContact OD1-CA 3.43Å; N138-S161 PolarHBondContact N-O 2.87Å; N138-S161 PolarHBondContact OD1-N 2.77Å
139G87.8Confident89.2Confident54 Ų5449.1 Ų49.156%0.55727%0.267SS*.THydrogen-bonded Turntrans113.4-33.6-176.800000113.6I137I137-G139 PolarHBondContact O-N 3.17Å
140Y90.9Very high88.5Confident143 Ų14344 Ų4456%0.56124%0.243SC*.EExtended strand (participates in β ladder)trans-73.2146.6-176-55.4-81.4000112.2R136 I137 N138 L153R136-Y140 CarbonylContact C-O 3.51Å; R136-Y140 WeakPolarHBondContact CA-O 3.44Å; R136-Y140 WeakPolarHBondContact CB-O 3.37Å; R136-Y140 WeakPolarHBondContact CG-O 3.2Å; I137-Y140 PolarHBondContact N-O 3.22Å; I137-Y140 PolarHBondContact O-N 3Å; N138-Y140 HydrophobicContact CB-CD2 4.42Å; Y140-L153 HydrophobicContact CD2-CD2 4.26Å
141S91.3Very high87.9Confident55 Ų5544.6 Ų44.639%0.38524%0.244SC..EExtended strand (participates in β ladder)trans-69145.9166.3-161.50000109.8S143S141-S143 PolarHBondContact OG-OG 3.13Å
142V89.6Confident87.4Confident5 Ų547.5 Ų47.53%0.0327%0.265CS..  trans-119.819.3172.1-64.10000112.2I134 V135 I137 S144 C145 V150 L153I134-V142 HydrophobicContact CG2-CG2 4.27Å; I134-V142 VanDerWaalsContact O-CG2 3.23Å; I134-V142 WeakPolarHBondContact O-CG2 3.22Å; V135-V142 PolarHBondContact O-N 2.97Å; I137-V142 HydrophobicContact CB-CG1 4.13Å; I137-V142 HydrophobicContact CD1-CG1 4.05Å; I137-V142 HydrophobicContact CG1-CG1 3.81Å; I137-V142 HydrophobicContact CG1-CG2 4.37Å; V142-S144 PolarHBondContact O-N 2.81Å; V142-C145 HydrophobicContact CB-CB 4.49Å; V142-V150 HydrophobicContact CB-CG2 3.98Å; V142-V150 HydrophobicContact CG1-CG2 4.09Å; V142-L153 HydrophobicContact CG1-CD1 3.99Å
143S84.1Confident86.8Confident82 Ų8248.9 Ų48.957%0.57327%0.272SS*.THydrogen-bonded Turntrans-64.4-20.9177.150.80000114.6S141S141-S143 PolarHBondContact OG-OG 3.13Å
144S83.8Confident86.3Confident84 Ų8448.7 Ų48.759%0.58727%0.271SS*.THydrogen-bonded Turntrans-134.924.8-169.2-490000110.9V142V142-S144 PolarHBondContact O-N 2.81Å
145C80.1Confident85.7Confident20 Ų2054.1 Ų54.114%0.13530%0.295CS..  trans-109.2141.9179.1-63.40000110.1L106 V142 E149 V150L106-C145 WeakPolarHBondContact CB-O 3.43Å; L106-C145 PolarHBondContact N-O 3.38Å; V142-C145 HydrophobicContact CB-CB 4.49Å; C145-E149 WeakPolarHBondContact CA-OE2 3.45Å; C145-E149 HydrophobicContact CB-CB 4.15Å; C145-V150 HydrophobicContact CB-CG2 3.54Å
146I84.3Confident85.1Confident71 Ų7157.6 Ų57.636%0.36432%0.316SS..  trans-74.7164.5167.762.5165000110.8L106 E107 E148 E149 V150L106-I146 HydrophobicContact CB-CG2 4.25Å; E107-I146 HydrophobicContact CB-CG2 4.11Å; E107-I146 VanDerWaalsContact OE2-CA 3.3Å; E107-I146 WeakPolarHBondContact OE2-CA 3.24Å; I146-E148 VanDerWaalsContact C-N 3.35Å; I146-E148 PolarHBondContact O-N 3.08Å; I146-E149 HydrophobicContact CD1-CG 4.4Å; I146-E149 HydrophobicContact CG1-CB 4.21Å; I146-E149 HydrophobicContact CG1-CG 3.65Å; I146-E149 PolarHBondContact N-OE2 2.83Å; I146-E149 PolarHBondContact O-N 2.88Å; I146-V150 WeakPolarHBondContact O-CG2 3.09Å; I146-V150 PolarHBondContact O-N 3.46Å; I146-V150 VanDerWaalsContact O-N 3.13Å
147H80.4Confident84.5Confident42 Ų4257.3 Ų57.319%0.19432%0.318CS..Hα-helixtrans-55.9-45.1-174.8-166.989.2000113G104 E107 F108 E149 V150 I151G104-H147 PolarHBondContact O-ND1 3.43Å; E107-H147 WeakPolarHBondContact OE1-CB 3.21Å; E107-H147 PolarHBondContact OE1-N 3.38Å; E107-H147 PolarHBondContact OE2-N 2.79Å; E107-H147 VanDerWaalsContact OE2-N 3.13Å; F108-H147 HydrophobicContact CE2-CB 4.18Å; H147-E149 PolarHBondContact O-N 2.86Å; H147-V150 WeakPolarHBondContact O-CB 3.3Å; H147-V150 PolarHBondContact O-N 3.01Å; H147-I151 WeakPolarHBondContact O-CB 3.39Å; H147-I151 VanDerWaalsContact O-CG1 3.3Å; H147-I151 WeakPolarHBondContact O-CG1 3.43Å; H147-I151 PolarHBondContact O-N 2.68Å
148E77.9Confident84.1Confident72 Ų7264.8 Ų64.834%0.33635%0.35SS..Hα-helixtrans-67.7-32.9-179.1-76.1-62.9165.900113.6I146 S152 T234I146-E148 VanDerWaalsContact C-N 3.35Å; I146-E148 PolarHBondContact O-N 3.08Å; E148-S152 WeakPolarHBondContact O-CB 3.46Å; E148-S152 PolarHBondContact O-N 2.84Å; E148-S152 PolarHBondContact O-OG 3.04Å; E148-T234 WeakPolarHBondContact OE1-CB 3.3Å
149E79.7Confident84.1Confident96 Ų9667.1 Ų67.145%0.44936%0.362SS..Hα-helixtrans-64.8-42.4171.6-69.2178.4127.200111C145 I146 H147 S152 L153C145-E149 WeakPolarHBondContact CA-OE2 3.45Å; C145-E149 HydrophobicContact CB-CB 4.15Å; I146-E149 HydrophobicContact CD1-CG 4.4Å; I146-E149 HydrophobicContact CG1-CB 4.21Å; I146-E149 HydrophobicContact CG1-CG 3.65Å; I146-E149 PolarHBondContact N-OE2 2.83Å; I146-E149 PolarHBondContact O-N 2.88Å; H147-E149 PolarHBondContact O-N 2.86Å; E149-S152 CarbonylContact O-C 3.52Å; E149-S152 WeakPolarHBondContact O-CB 3.49Å; E149-S152 PolarHBondContact O-N 3.01Å; E149-L153 WeakPolarHBondContact O-CB 3.42Å; E149-L153 WeakPolarHBondContact O-CG 3.23Å; E149-L153 PolarHBondContact O-N 2.89Å
150V78.4Confident84.4Confident1 Ų164.5 Ų64.51%0.00634%0.335CS..Hα-helixtrans-65-45.7177.9173.20000111.4L112 I137 V142 C145 I146 H147 S152 L153 I154L112-V150 HydrophobicContact CD1-CB 4.37Å; L112-V150 HydrophobicContact CD1-CG1 3.8Å; L112-V150 HydrophobicContact CD2-CG1 3.4Å; L112-V150 VanDerWaalsContact CD2-CG1 3.4Å; L112-V150 HydrophobicContact CG-CG1 4.1Å; I137-V150 HydrophobicContact CD1-CG1 3.63Å; V142-V150 HydrophobicContact CB-CG2 3.98Å; V142-V150 HydrophobicContact CG1-CG2 4.09Å; C145-V150 HydrophobicContact CB-CG2 3.54Å; I146-V150 WeakPolarHBondContact O-CG2 3.09Å; I146-V150 PolarHBondContact O-N 3.46Å; I146-V150 VanDerWaalsContact O-N 3.13Å; H147-V150 WeakPolarHBondContact O-CB 3.3Å; H147-V150 PolarHBondContact O-N 3.01Å; V150-S152 VanDerWaalsContact C-N 3.26Å; V150-S152 PolarHBondContact O-N 3.24Å; V150-L153 PolarHBondContact O-N 2.68Å; V150-I154 HydrophobicContact CG1-CD1 4.37Å; V150-I154 WeakPolarHBondContact O-CG1 3.35Å; V150-I154 PolarHBondContact O-N 2.81Å
151I81.2Confident84.7Confident37 Ų3758.5 Ų58.519%0.1931%0.314CS..Hα-helixtrans-61-38.5173.9-69.1-62000110.4V102 H147 I154 K155V102-I151 HydrophobicContact CG2-CD1 3.7Å; H147-I151 WeakPolarHBondContact O-CB 3.39Å; H147-I151 VanDerWaalsContact O-CG1 3.3Å; H147-I151 WeakPolarHBondContact O-CG1 3.43Å; H147-I151 PolarHBondContact O-N 2.68Å; I151-I154 PolarHBondContact O-N 2.83Å; I151-K155 HydrophobicContact CG2-CD 3.88Å; I151-K155 WeakPolarHBondContact O-CB 3.27Å; I151-K155 WeakPolarHBondContact O-CD 3.27Å; I151-K155 WeakPolarHBondContact O-CG 3.13Å; I151-K155 PolarHBondContact O-N 2.86Å
152S82.3Confident85Confident61 Ų6156 Ų5643%0.42730%0.296SS..Hα-helixtrans-66.2-43.4174.2-63.40000112.4E148 E149 V150 I154 K155 T156E148-S152 WeakPolarHBondContact O-CB 3.46Å; E148-S152 PolarHBondContact O-N 2.84Å; E148-S152 PolarHBondContact O-OG 3.04Å; E149-S152 CarbonylContact O-C 3.52Å; E149-S152 WeakPolarHBondContact O-CB 3.49Å; E149-S152 PolarHBondContact O-N 3.01Å; V150-S152 VanDerWaalsContact C-N 3.26Å; V150-S152 PolarHBondContact O-N 3.24Å; S152-I154 VanDerWaalsContact C-N 3.32Å; S152-I154 PolarHBondContact O-N 3.47Å; S152-K155 CarbonylContact O-C 3.52Å; S152-K155 WeakPolarHBondContact O-CA 3.32Å; S152-K155 WeakPolarHBondContact O-CB 3.44Å; S152-K155 PolarHBondContact O-N 3.49Å; S152-T156 WeakPolarHBondContact O-CG2 3.47Å; S152-T156 PolarHBondContact O-N 3.28Å
153L83.1Confident85.3Confident35 Ų3558.8 Ų58.818%0.18331%0.308CS..Hα-helixtrans-59.3-39.7174.5-78.1168.9000112.2I137 N138 Y140 V142 E149 V150 T156I137-L153 HydrophobicContact CG2-CB 4.24Å; N138-L153 PolarHBondContact ND2-O 3.2Å; N138-L153 VanDerWaalsContact ND2-O 3.11Å; Y140-L153 HydrophobicContact CD2-CD2 4.26Å; V142-L153 HydrophobicContact CG1-CD1 3.99Å; E149-L153 WeakPolarHBondContact O-CB 3.42Å; E149-L153 WeakPolarHBondContact O-CG 3.23Å; E149-L153 PolarHBondContact O-N 2.89Å; V150-L153 PolarHBondContact O-N 2.68Å; L153-T156 PolarHBondContact O-N 2.69Å; L153-T156 PolarHBondContact O-OG1 2.92Å
154I83.3Confident85.9Confident15 Ų1555 Ų558%0.07728%0.282CS..Hα-helixtrans-64.5-41.2170.5-65.6167000110.5R92 L98 I137 V150 I151 S152 T156R92-I154 WeakPolarHBondContact CD-O 3.15Å; L98-I154 HydrophobicContact CD1-CG2 3.78Å; I137-I154 HydrophobicContact CD1-CD1 3.94Å; I137-I154 HydrophobicContact CD1-CG1 3.65Å; I137-I154 HydrophobicContact CG2-CG1 4.06Å; V150-I154 HydrophobicContact CG1-CD1 4.37Å; V150-I154 WeakPolarHBondContact O-CG1 3.35Å; V150-I154 PolarHBondContact O-N 2.81Å; I151-I154 PolarHBondContact O-N 2.83Å; S152-I154 VanDerWaalsContact C-N 3.32Å; S152-I154 PolarHBondContact O-N 3.47Å; I154-T156 VanDerWaalsContact C-N 3.33Å; I154-T156 PolarHBondContact O-N 3.1Å
155K83.3Confident86.4Confident117 Ų11756.3 Ų56.351%0.50927%0.274SS..Hα-helixtrans-69-21.2179.6-72.8164.7-179.6170.30114.2R92 I151 S152 K157R92-K155 VanDerWaalsContact NH1-C 3.35Å; R92-K155 PolarHBondContact NH1-O 3.46Å; I151-K155 HydrophobicContact CG2-CD 3.88Å; I151-K155 WeakPolarHBondContact O-CB 3.27Å; I151-K155 WeakPolarHBondContact O-CD 3.27Å; I151-K155 WeakPolarHBondContact O-CG 3.13Å; I151-K155 PolarHBondContact O-N 2.86Å; S152-K155 CarbonylContact O-C 3.52Å; S152-K155 WeakPolarHBondContact O-CA 3.32Å; S152-K155 WeakPolarHBondContact O-CB 3.44Å; S152-K155 PolarHBondContact O-N 3.49Å; K155-K157 PolarHBondContact O-N 3.47Å
156T82.7Confident87.2Confident89 Ų8956.9 Ų56.955%0.54627%0.274SS..THydrogen-bonded Turntrans-59.7-35.5-176.458.20000116.1N138 S152 L153 I154N138-T156 PolarHBondContact ND2-OG1 3.12Å; S152-T156 WeakPolarHBondContact O-CG2 3.47Å; S152-T156 PolarHBondContact O-N 3.28Å; L153-T156 PolarHBondContact O-N 2.69Å; L153-T156 PolarHBondContact O-OG1 2.92Å; I154-T156 VanDerWaalsContact C-N 3.33Å; I154-T156 PolarHBondContact O-N 3.1Å
157K84.4Confident87.6Confident99 Ų9953.9 Ų53.943%0.4326%0.259SS..  trans-125.5152-169.9-67.8178-173.9175.50111.7R92 N138 K155 I159R92-K157 PolarHBondContact NH1-O 2.91Å; N138-K157 HydrophobicContact CB-CD 4.3Å; K155-K157 PolarHBondContact O-N 3.47Å; K157-I159 WeakPolarHBondContact CB-O 3.47Å
158K86.2Confident88.1Confident158 Ų15852.1 Ų52.169%0.68725%0.252SS*.SBendtrans-65.2-48.4174.1-69.1-173.9178.5-175.60111.2R92 T93R92-K158 WeakPolarHBondContact CB-O 3.47Å; R92-K158 PolarHBondContact N-O 2.76Å; T93-K158 HydrophobicContact CG2-CB 4.25Å; T93-K158 HydrophobicContact CG2-CD 4.13Å; T93-K158 HydrophobicContact CG2-CG 4.18Å
159I92.2Very high88.8Confident73 Ų7348.7 Ų48.737%0.37424%0.236SC..EExtended strand (participates in β ladder)trans-99.3121.8169.8-57.2172.1000107.7R89 L90 K157R89-I159 HydrophobicContact CB-CG2 4.08Å; L90-I159 CarbonylContact O-C 3.56Å; L90-I159 VanDerWaalsContact O-CA 3.29Å; L90-I159 WeakPolarHBondContact O-CA 3.32Å; K157-I159 WeakPolarHBondContact CB-O 3.47Å
160V94Very high89.4Confident0 Ų044.1 Ų44.10%022%0.215CC..EExtended strand (participates in β ladder)trans-96.3133.1171.461.30000109.7R89 L90 L98 I137 N138 L162R89-V160 WeakPolarHBondContact CA-O 3.44Å; L90-V160 HydrophobicContact CB-CG1 3.93Å; L90-V160 PolarHBondContact N-O 2.93Å; L90-V160 PolarHBondContact O-N 3.23Å; L98-V160 HydrophobicContact CD1-CG1 4.47Å; L98-V160 HydrophobicContact CD2-CG1 4.06Å; I137-V160 HydrophobicContact CG2-CG2 3.73Å; N138-V160 WeakPolarHBondContact OD1-CA 3.43Å; V160-L162 HydrophobicContact CG2-CD2 3.75Å; V160-L162 HydrophobicContact CG2-CG 4.24Å
161S96Very high90Very high16 Ų1644.3 Ų44.311%0.11222%0.216CC..EExtended strand (participates in β ladder)trans-97.7129.9164.9-158.40000109.5E87 V88 I137 N138E87-S161 WeakPolarHBondContact CG-OG 3.34Å; E87-S161 PolarHBondContact OE1-OG 3.25Å; V88-S161 WeakPolarHBondContact O-CA 3.5Å; V88-S161 PolarHBondContact O-OG 3.09Å; I137-S161 CarbonylContact C-O 3.5Å; I137-S161 WeakPolarHBondContact CA-O 3.46Å; N138-S161 PolarHBondContact N-O 2.87Å; N138-S161 PolarHBondContact OD1-N 2.77Å
162L97Very high90.2Very high2 Ų244 Ų441%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-116.8129.3176.5-58.9177.9000108.9E87 V88 L90 L100 L128 I134 I137 V160 V164E87-L162 WeakPolarHBondContact CA-O 3.22Å; V88-L162 HydrophobicContact CG2-CB 4.02Å; V88-L162 PolarHBondContact N-O 3.38Å; V88-L162 PolarHBondContact O-N 3Å; L90-L162 HydrophobicContact CD1-CD1 3.93Å; L100-L162 HydrophobicContact CD2-CD1 4.2Å; L128-L162 HydrophobicContact CD1-CD1 4.31Å; I134-L162 HydrophobicContact CD1-CD1 4.38Å; I134-L162 HydrophobicContact CG2-CD2 4.21Å; I137-L162 HydrophobicContact CB-CD2 4.36Å; I137-L162 HydrophobicContact CD1-CD2 4.04Å; I137-L162 HydrophobicContact CG1-CD2 3.79Å; I137-L162 HydrophobicContact CG2-CD2 4.1Å; V160-L162 HydrophobicContact CG2-CD2 3.75Å; V160-L162 HydrophobicContact CG2-CG 4.24Å; L162-V164 HydrophobicContact CB-CG1 4.38Å
163K96.9Very high90Very high65 Ų6545.4 Ų45.428%0.28322%0.215SC..EExtended strand (participates in β ladder)trans-102.7125.7163.3-57.5-165.9171.9-162.70108.8K86 E87 V135 R136K86-K163 CarbonylContact O-C 3.57Å; K86-K163 WeakPolarHBondContact O-CA 3.37Å; E87-K163 HydrophobicContact CB-CG 4.16Å; E87-K163 HydrophobicContact CG-CG 4.21Å; E87-K163 WeakPolarHBondContact OE1-CE 3.42Å; E87-K163 IonicContact OE1-NZ 2.57Å; E87-K163 WeakPolarHBondContact OE2-CE 3.44Å; E87-K163 IonicContact OE2-NZ 2.72Å; E87-K163 PolarHBondContact OE2-NZ 3.31Å; V135-K163 HydrophobicContact CG2-CB 4.07Å; V135-K163 VanDerWaalsContact CG2-O 3.31Å; V135-K163 WeakPolarHBondContact CG2-O 3.29Å; V135-K163 PolarHBondContact N-O 3.47Å; R136-K163 HydrophobicContact CB-CB 4.06Å; R136-K163 HydrophobicContact CB-CG 4.29Å; R136-K163 PolarHBondContact N-O 3.15Å; R136-K163 PolarHBondContact O-N 2.9Å
164V96.8Very high89.2Confident2 Ų247.7 Ų47.71%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-125.1158.8-176.8-520000112.2L85 K86 L128 D132 E133 I134 L162L85-V164 CarbonylContact C-O 3.53Å; L85-V164 VanDerWaalsContact CA-O 3.32Å; L85-V164 WeakPolarHBondContact CA-O 3.07Å; K86-V164 HydrophobicContact CB-CG2 3.97Å; K86-V164 PolarHBondContact N-O 3.39Å; K86-V164 PolarHBondContact O-N 2.9Å; L128-V164 HydrophobicContact CD2-CB 4.33Å; L128-V164 HydrophobicContact CD2-CG1 3.73Å; L128-V164 HydrophobicContact CD2-CG2 3.71Å; D132-V164 HydrophobicContact CB-CB 4.17Å; D132-V164 HydrophobicContact CB-CG2 4.35Å; E133-V164 CarbonylContact O-C 3.59Å; E133-V164 WeakPolarHBondContact O-CA 3.38Å; E133-V164 WeakPolarHBondContact O-CB 3.32Å; I134-V164 HydrophobicContact CB-CG1 4.41Å; I134-V164 HydrophobicContact CG1-CG1 3.65Å; L162-V164 HydrophobicContact CB-CG1 4.38Å
165R94.9Very high88.5Confident112 Ų11249.3 Ų49.342%0.42325%0.246SC..EExtended strand (participates in β ladder)trans-130.2137.516359.1-175.6167.1-164.3-6.2110.3L85 E133 V135 V167L85-R165 HydrophobicContact CD2-CB 3.92Å; L85-R165 HydrophobicContact CD2-CG 4.47Å; E133-R165 HydrophobicContact CB-CG 4.24Å; E133-R165 PolarHBondContact N-O 2.76Å; E133-R165 PolarHBondContact O-N 3.44Å; E133-R165 IonicContact OE2-CZ 2.68Å; E133-R165 IonicContact OE2-NE 2.68Å; E133-R165 PolarHBondContact OE2-NE 2.69Å; E133-R165 IonicContact OE2-NH2 3.96Å; E133-R165 PolarHBondContact OE2-NH2 2.86Å; V135-R165 HydrophobicContact CG1-CG 3.94Å; R165-V167 HydrophobicContact CG-CG2 4.31Å; R165-V167 PolarHBondContact O-N 2.96Å
166H95.1Very high87.7Confident32 Ų3248.2 Ų48.215%0.14825%0.253CS..EExtended strand (participates in β ladder)trans-77.4117.2178.6-163.859.7000110.4K80 R81 S82 V130 D132K80-H166 PolarHBondContact O-CD2 3.27Å; R81-H166 WeakPolarHBondContact CA-O 2.74Å; S82-H166 PolarHBondContact N-O 3.25Å; V130-H166 PolarHBondContact O-CE1 3.15Å; D132-H166 WeakPolarHBondContact OD1-CA 3.48Å; D132-H166 WeakPolarHBondContact OD1-CB 3.27Å; D132-H166 IonicContact OD1-CE1 2.67Å; D132-H166 IonicContact OD1-CG 3.72Å; D132-H166 IonicContact OD1-ND1 3.59Å; D132-H166 PolarHBondContact OD1-ND1 3.43Å
167V93.9Very high87.2Confident8 Ų850.1 Ų50.15%0.04826%0.26CS..  trans-103.5-35.7-178.3-179.40000111.6P53 L56 Y113 G131 E133 R165P53-V167 HydrophobicContact CB-CG1 4.13Å; P53-V167 HydrophobicContact CG-CG1 4.38Å; L56-V167 HydrophobicContact CD1-CG1 4.08Å; L56-V167 WeakPolarHBondContact CD1-O 3.41Å; Y113-V167 HydrophobicContact CE1-CB 3.94Å; Y113-V167 HydrophobicContact CE1-CG1 4.09Å; Y113-V167 HydrophobicContact CE1-CG2 3.93Å; G131-V167 PolarHBondContact O-N 3.27Å; E133-V167 HydrophobicContact CB-CG2 3.8Å; R165-V167 HydrophobicContact CG-CG2 4.31Å; R165-V167 PolarHBondContact O-N 2.96Å
168G91.2Very high86.7Confident5 Ų548.1 Ų48.15%0.05225%0.252CS..SBendtrans83.510.4179.500000115.2G131 V185G131-G168 PolarHBondContact O-N 2.83Å; G131-G168 VanDerWaalsContact O-N 3.11Å; G168-V185 WeakPolarHBondContact O-CG2 3.12Å; G168-V185 PolarHBondContact O-N 2.82Å
169M93.1Very high86.5Confident0 Ų044.9 Ų44.90%025%0.247CC..EExtended strand (participates in β ladder)trans-132.9161.6175.8-63.5-174.590.800111.3P53 L56 Y113 W182 Q183 F184P53-M169 HydrophobicContact CG-SD 4.31Å; L56-M169 HydrophobicContact CD1-CG 4.01Å; L56-M169 HydrophobicContact CD1-SD 3.75Å; L56-M169 HydrophobicContact CD2-CG 4.46Å; L56-M169 HydrophobicContact CD2-SD 3.89Å; L56-M169 HydrophobicContact CG-SD 3.92Å; Y113-M169 WeakPolarHBondContact CD1-O 3.5Å; M169-W182 HydrophobicContact CB-CE3 4.19Å; M169-W182 HydrophobicContact CE-CB 3.61Å; M169-W182 HydrophobicContact SD-CB 4.46Å; M169-Q183 CarbonylContact C-O 3.59Å; M169-Q183 VanDerWaalsContact CA-O 3.27Å; M169-Q183 WeakPolarHBondContact CA-O 3.48Å; M169-Q183 WeakPolarHBondContact CB-O 3.36Å; M169-F184 HydrophobicContact CE-CD1 4.26Å; M169-F184 HydrophobicContact CE-CD2 4.26Å; M169-F184 HydrophobicContact CE-CE1 3.86Å; M169-F184 HydrophobicContact CE-CE2 3.87Å; M169-F184 HydrophobicContact CE-CG 4.46Å; M169-F184 HydrophobicContact CE-CZ 3.68Å; M169-F184 HydrophobicContact CG-CD1 3.78Å; M169-F184 HydrophobicContact CG-CE1 3.72Å; M169-F184 HydrophobicContact CG-CZ 4.49Å; M169-F184 HydrophobicContact SD-CE1 3.94Å; M169-F184 HydrophobicContact SD-CZ 4.19Å
170I91.9Very high86.2Confident0 Ų044 Ų440%024%0.243CC..EExtended strand (participates in β ladder)trans-130.2131.6-177.9-66.3-61.8000109.2R103 I114 V130 V172 W182 Q183 V185 F188R103-I170 VanDerWaalsContact NH1-CG2 3.29Å; I114-I170 VanDerWaalsContact O-CD1 3.26Å; I114-I170 WeakPolarHBondContact O-CD1 3.41Å; V130-I170 HydrophobicContact CG1-CD1 3.89Å; V130-I170 HydrophobicContact CG1-CG1 4.21Å; I170-V172 HydrophobicContact CG2-CG2 4.38Å; I170-W182 WeakPolarHBondContact O-CA 3.26Å; I170-Q183 PolarHBondContact N-O 3.23Å; I170-Q183 PolarHBondContact O-N 3.14Å; I170-V185 HydrophobicContact CG1-CG2 4.11Å; I170-F188 HydrophobicContact CB-CD1 4.5Å; I170-F188 HydrophobicContact CB-CG 4.32Å; I170-F188 HydrophobicContact CG1-CD1 4.07Å; I170-F188 HydrophobicContact CG1-CG 4.32Å; I170-F188 HydrophobicContact CG2-CD1 4.23Å; I170-F188 HydrophobicContact CG2-CD2 4.17Å; I170-F188 HydrophobicContact CG2-CE1 4.49Å; I170-F188 HydrophobicContact CG2-CE2 4.43Å; I170-F188 HydrophobicContact CG2-CG 4.08Å
171P90.3Very high85.9Confident5 Ų548.3 Ų48.33%0.03226%0.262CS..EExtended strand (participates in β ladder)trans-73.1141.7172.328.8-31.1000110.8R103 Y113 L180 W182R103-P171 WeakPolarHBondContact CD-O 3.35Å; R103-P171 HydrophobicContact CG-CG 4.06Å; R103-P171 PolarHBondContact NH1-O 2.92Å; Y113-P171 HydrophobicContact CD2-CG 3.92Å; Y113-P171 HydrophobicContact CG-CG 4.12Å; P171-L180 HydrophobicContact CB-CD1 3.86Å; P171-W182 HydrophobicContact CB-CD2 4.43Å; P171-W182 HydrophobicContact CB-CE3 4.05Å; P171-W182 HydrophobicContact CB-CH2 4.07Å; P171-W182 HydrophobicContact CB-CZ2 4.44Å; P171-W182 HydrophobicContact CB-CZ3 3.87Å; P171-W182 HydrophobicContact CG-CH2 4.4Å; P171-W182 HydrophobicContact CG-CZ3 4.07Å
172V84.9Confident85.7Confident31 Ų3149.8 Ų49.819%0.18827%0.265CS..EExtended strand (participates in β ladder)trans-139.8127.6179.3-176.40000109I170 K181 Q183I170-V172 HydrophobicContact CG2-CG2 4.38Å; V172-K181 PolarHBondContact N-O 2.75Å; V172-K181 PolarHBondContact O-N 3.37Å; V172-K181 VanDerWaalsContact O-O 3.08Å; V172-Q183 HydrophobicContact CG2-CB 4.25Å; V172-Q183 HydrophobicContact CG2-CG 3.98Å
173K78.2Confident85.4Confident90 Ų9051 Ų5139%0.39127%0.27SS..  trans-143.4123.9173.3172.8159.6176.2153.70107.3S175 S176 E178 L180K173-S175 WeakPolarHBondContact CE-O 3.44Å; K173-S175 WeakPolarHBondContact CG-O 3.37Å; K173-S176 WeakPolarHBondContact CE-O 3.46Å; K173-S176 PolarHBondContact NZ-O 2.83Å; K173-E178 WeakPolarHBondContact CD-O 3.26Å; K173-E178 WeakPolarHBondContact CE-O 3.34Å; K173-E178 PolarHBondContact NZ-O 3.02Å; K173-L180 HydrophobicContact CB-CD1 4.48Å
174S66.8Low85Confident82 Ų8248.3 Ų48.357%0.57326%0.259SS*.  trans-92.8-28.5-164.9-39.30000113.8E178S174-E178 WeakPolarHBondContact CB-OE2 3.44Å; S174-E178 PolarHBondContact OG-OE2 3.28Å
175S68.6Low84.6Confident49 Ų4949.8 Ų49.834%0.34327%0.268SS..SBendtrans-142.4178.8172.570.20000109.4K173 D177 E178K173-S175 WeakPolarHBondContact CE-O 3.44Å; K173-S175 WeakPolarHBondContact CG-O 3.37Å; S175-D177 VanDerWaalsContact CB-OD2 3.25Å; S175-D177 WeakPolarHBondContact CB-OD2 3.38Å; S175-D177 PolarHBondContact O-N 2.95Å; S175-D177 PolarHBondContact OG-N 3.42Å; S175-D177 PolarHBondContact OG-OD2 3.08Å; S175-E178 PolarHBondContact OG-N 3.34Å
176S65.8Low84Confident95 Ų9548.4 Ų48.466%0.66427%0.269SS*.SBendtrans-55.3-31.2169.530.60000113.6K173K173-S176 WeakPolarHBondContact CE-O 3.46Å; K173-S176 PolarHBondContact NZ-O 2.83Å
177D73.1Confident83.2Confident128 Ų12851.1 Ų51.168%0.68428%0.281SS*.SBendtrans-104.3-17.2-161.5-6.3-77.3000111.7S175S175-D177 VanDerWaalsContact CB-OD2 3.25Å; S175-D177 WeakPolarHBondContact CB-OD2 3.38Å; S175-D177 PolarHBondContact O-N 2.95Å; S175-D177 PolarHBondContact OG-N 3.42Å; S175-D177 PolarHBondContact OG-OD2 3.08Å
178E74.3Confident82.4Confident58 Ų5851.9 Ų51.927%0.27128%0.284SS..SBendtrans-68.3138.9167.2-73.6-132.6119.200111.7K173 S174 S175 K181K173-E178 WeakPolarHBondContact CD-O 3.26Å; K173-E178 WeakPolarHBondContact CE-O 3.34Å; K173-E178 PolarHBondContact NZ-O 3.02Å; S174-E178 WeakPolarHBondContact CB-OE2 3.44Å; S174-E178 PolarHBondContact OG-OE2 3.28Å; S175-E178 PolarHBondContact OG-N 3.34Å; E178-K181 IonicContact OE1-NZ 3Å; E178-K181 PolarHBondContact OE1-NZ 2.86Å; E178-K181 IonicContact OE2-NZ 2.63Å; E178-K181 PolarHBondContact OE2-NZ 3.08Å
179P81.3Confident81.4Confident90 Ų9054.5 Ų54.558%0.58430%0.299SS*.PPolyproline II helixtrans-65.2152.1168.529.1-34.8000110.5K181P179-K181 PolarHBondContact O-N 2.89Å
180L85.6Confident79.8Confident55 Ų5557.6 Ų57.629%0.28832%0.321SS..PPolyproline II helixtrans-61122.4173.6178.270.5000110.1C110 P171 K173 W182C110-L180 HydrophobicContact CB-CD2 3.82Å; P171-L180 HydrophobicContact CB-CD1 3.86Å; K173-L180 HydrophobicContact CB-CD1 4.48Å; L180-W182 HydrophobicContact CD2-CZ2 4Å
181K88.8Confident77.9Confident90 Ų9062.8 Ų62.839%0.39135%0.345SS..EExtended strand (participates in β ladder)trans-109.6157.5173.5-62.7161.6-167.5168.90109.2V172 E178 P179V172-K181 PolarHBondContact N-O 2.75Å; V172-K181 PolarHBondContact O-N 3.37Å; V172-K181 VanDerWaalsContact O-O 3.08Å; E178-K181 IonicContact OE1-NZ 3Å; E178-K181 PolarHBondContact OE1-NZ 2.86Å; E178-K181 IonicContact OE2-NZ 2.63Å; E178-K181 PolarHBondContact OE2-NZ 3.08Å; P179-K181 PolarHBondContact O-N 2.89Å
182W91.3Very high75.7Confident47 Ų4764 Ų6418%0.17835%0.354CS..EExtended strand (participates in β ladder)trans-120.2133.1171.7-62.185.1000110P53 C110 Y113 M169 I170 P171 L180P53-W182 VanDerWaalsContact CD-CE2 3.48Å; P53-W182 HydrophobicContact CG-CD2 3.63Å; P53-W182 HydrophobicContact CG-CE3 3.55Å; P53-W182 HydrophobicContact CG-CG 4.33Å; P53-W182 HydrophobicContact CG-CH2 3.77Å; P53-W182 HydrophobicContact CG-CZ2 3.84Å; P53-W182 HydrophobicContact CG-CZ3 3.61Å; C110-W182 HydrophobicContact CB-CH2 3.8Å; C110-W182 HydrophobicContact CB-CZ2 3.69Å; Y113-W182 HydrophobicContact CD1-CZ3 4.23Å; Y113-W182 HydrophobicContact CD2-CH2 4.22Å; Y113-W182 HydrophobicContact CD2-CZ3 4.14Å; Y113-W182 HydrophobicContact CE1-CH2 4.34Å; Y113-W182 AromaticContact CE1-CZ3 3.79Å; Y113-W182 HydrophobicContact CE1-CZ3 3.79Å; Y113-W182 AromaticContact CE2-CH2 3.59Å; Y113-W182 HydrophobicContact CE2-CH2 3.59Å; Y113-W182 AromaticContact CE2-CZ3 3.78Å; Y113-W182 HydrophobicContact CE2-CZ3 3.78Å; Y113-W182 HydrophobicContact CG-CZ3 4.41Å; Y113-W182 AromaticContact CZ-CH2 3.67Å; Y113-W182 AromaticContact CZ-CZ3 3.6Å; M169-W182 HydrophobicContact CB-CE3 4.19Å; M169-W182 HydrophobicContact CE-CB 3.61Å; M169-W182 HydrophobicContact SD-CB 4.46Å; I170-W182 WeakPolarHBondContact O-CA 3.26Å; P171-W182 HydrophobicContact CB-CD2 4.43Å; P171-W182 HydrophobicContact CB-CE3 4.05Å; P171-W182 HydrophobicContact CB-CH2 4.07Å; P171-W182 HydrophobicContact CB-CZ2 4.44Å; P171-W182 HydrophobicContact CB-CZ3 3.87Å; P171-W182 HydrophobicContact CG-CH2 4.4Å; P171-W182 HydrophobicContact CG-CZ3 4.07Å; L180-W182 HydrophobicContact CD2-CZ2 4Å
183Q89.8Confident73.4Confident26 Ų2664.2 Ų64.212%0.12136%0.362CS..EExtended strand (participates in β ladder)trans-107.6152.4170.8-74.5-177.8-21.300110.2M169 I170 V172 F188 E191M169-Q183 CarbonylContact C-O 3.59Å; M169-Q183 VanDerWaalsContact CA-O 3.27Å; M169-Q183 WeakPolarHBondContact CA-O 3.48Å; M169-Q183 WeakPolarHBondContact CB-O 3.36Å; I170-Q183 PolarHBondContact N-O 3.23Å; I170-Q183 PolarHBondContact O-N 3.14Å; V172-Q183 HydrophobicContact CG2-CB 4.25Å; V172-Q183 HydrophobicContact CG2-CG 3.98Å; Q183-F188 HydrophobicContact CB-CB 4.2Å; Q183-E191 VanDerWaalsContact NE2-CD 3.32Å; Q183-E191 PolarHBondContact NE2-OE1 2.93Å; Q183-E191 VanDerWaalsContact NE2-OE1 3.14Å; Q183-E191 PolarHBondContact NE2-OE2 3.25Å; Q183-E191 PolarHBondContact OE1-OE2 3.11Å
184F89.4Confident71.3Confident9 Ų968.6 Ų68.64%0.03938%0.384CS..EExtended strand (participates in β ladder)trans-74.3151.4166.9-72.1-75.8000111.1K47 I50 L56 F59 P79 M169 D186 Q187 F188K47-F184 HydrophobicContact CB-CD2 4.11Å; K47-F184 HydrophobicContact CB-CE2 3.59Å; K47-F184 HydrophobicContact CB-CZ 4.34Å; K47-F184 HydrophobicContact CD-CD2 3.63Å; K47-F184 HydrophobicContact CD-CE2 3.85Å; K47-F184 HydrophobicContact CD-CG 4.15Å; K47-F184 HydrophobicContact CG-CD2 3.77Å; K47-F184 HydrophobicContact CG-CE2 3.41Å; K47-F184 VanDerWaalsContact CG-CE2 3.41Å; K47-F184 HydrophobicContact CG-CG 4.49Å; K47-F184 HydrophobicContact CG-CZ 3.86Å; I50-F184 WeakPolarHBondContact O-CZ 3.49Å; L56-F184 HydrophobicContact CD2-CE1 3.76Å; L56-F184 HydrophobicContact CD2-CZ 4.13Å; F59-F184 HydrophobicContact CE2-CE1 4.43Å; F59-F184 HydrophobicContact CE2-CZ 4.34Å; P79-F184 HydrophobicContact CB-CD1 4.21Å; P79-F184 HydrophobicContact CB-CE1 4.22Å; P79-F184 HydrophobicContact CG-CD1 3.56Å; P79-F184 HydrophobicContact CG-CE1 3.28Å; P79-F184 HydrophobicContact CG-CZ 4.3Å; M169-F184 HydrophobicContact CE-CD1 4.26Å; M169-F184 HydrophobicContact CE-CD2 4.26Å; M169-F184 HydrophobicContact CE-CE1 3.86Å; M169-F184 HydrophobicContact CE-CE2 3.87Å; M169-F184 HydrophobicContact CE-CG 4.46Å; M169-F184 HydrophobicContact CE-CZ 3.68Å; M169-F184 HydrophobicContact CG-CD1 3.78Å; M169-F184 HydrophobicContact CG-CE1 3.72Å; M169-F184 HydrophobicContact CG-CZ 4.49Å; M169-F184 HydrophobicContact SD-CE1 3.94Å; M169-F184 HydrophobicContact SD-CZ 4.19Å; F184-D186 WeakPolarHBondContact CB-OD1 3.43Å; F184-D186 PolarHBondContact O-N 3.04Å; F184-Q187 PolarHBondContact O-N 3.47Å; F184-F188 WeakPolarHBondContact O-CB 3.44Å; F184-F188 PolarHBondContact O-N 2.91Å
185V88.4Confident69.8Low33 Ų3370 Ų7020%0.238%0.38CS..Hα-helixtrans-60.5-32.7-179.11730000111.9V130 G168 I170 V189V130-V185 HydrophobicContact CB-CG1 4.08Å; V130-V185 HydrophobicContact CG1-CG1 3.91Å; V130-V185 HydrophobicContact CG1-CG2 4.3Å; V130-V185 WeakPolarHBondContact O-CG2 3.42Å; G168-V185 WeakPolarHBondContact O-CG2 3.12Å; G168-V185 PolarHBondContact O-N 2.82Å; I170-V185 HydrophobicContact CG1-CG2 4.11Å; V185-V189 HydrophobicContact CG1-CG2 4Å; V185-V189 WeakPolarHBondContact O-CB 3.25Å; V185-V189 WeakPolarHBondContact O-CG2 3.28Å; V185-V189 PolarHBondContact O-N 2.84Å
186D82.3Confident68.2Low84 Ų8476.6 Ų76.645%0.44940%0.397SS..Hα-helixtrans-67.8-46.9176.453.76.9000112.5K47 F184 S190K47-D186 IonicContact NZ-OD1 3.95Å; K47-D186 PolarHBondContact NZ-OD1 3.34Å; K47-D186 IonicContact NZ-OD2 3.02Å; K47-D186 PolarHBondContact NZ-OD2 3Å; F184-D186 WeakPolarHBondContact CB-OD1 3.43Å; F184-D186 PolarHBondContact O-N 3.04Å; D186-S190 VanDerWaalsContact O-CB 3.31Å; D186-S190 WeakPolarHBondContact O-CB 3.46Å; D186-S190 PolarHBondContact O-N 3.29Å; D186-S190 PolarHBondContact O-OG 3.12Å
187Q78.8Confident66.6Low88 Ų8878 Ų7841%0.41141%0.407SS..Hα-helixtrans-58.8-56.5171.7177.8178.6-1.800111.7F184 V189 S190 E191F184-Q187 PolarHBondContact O-N 3.47Å; Q187-V189 VanDerWaalsContact C-N 3.3Å; Q187-V189 PolarHBondContact O-N 2.83Å; Q187-S190 PolarHBondContact O-N 2.84Å; Q187-E191 HydrophobicContact CG-CG 4.47Å; Q187-E191 WeakPolarHBondContact CG-OE1 3.26Å; Q187-E191 PolarHBondContact NE2-OE1 3.19Å; Q187-E191 PolarHBondContact O-N 2.86Å
188F76.5Confident64.7Low24 Ų2474.7 Ų74.711%0.10539%0.394CS..Hα-helixtrans-59.7-39.1-176.6176.2-100.3000112.3R103 S115 I170 Q183 F184 S192R103-F188 VanDerWaalsContact NH2-CZ 3.27Å; S115-F188 VanDerWaalsContact O-CE1 3.31Å; S115-F188 WeakPolarHBondContact O-CE1 3.02Å; I170-F188 HydrophobicContact CB-CD1 4.5Å; I170-F188 HydrophobicContact CB-CG 4.32Å; I170-F188 HydrophobicContact CG1-CD1 4.07Å; I170-F188 HydrophobicContact CG1-CG 4.32Å; I170-F188 HydrophobicContact CG2-CD1 4.23Å; I170-F188 HydrophobicContact CG2-CD2 4.17Å; I170-F188 HydrophobicContact CG2-CE1 4.49Å; I170-F188 HydrophobicContact CG2-CE2 4.43Å; I170-F188 HydrophobicContact CG2-CG 4.08Å; Q183-F188 HydrophobicContact CB-CB 4.2Å; F184-F188 WeakPolarHBondContact O-CB 3.44Å; F184-F188 PolarHBondContact O-N 2.91Å; F188-S192 WeakPolarHBondContact O-CB 3.33Å; F188-S192 PolarHBondContact O-N 3.19Å; F188-S192 VanDerWaalsContact O-N 3.11Å
189V70.6Confident62.9Low60 Ų6076.2 Ų76.236%0.36441%0.407SS..Hα-helixtrans-71.4-34.6176.3172.10000111.6V130 V185 Q187 S192 G193V130-V189 HydrophobicContact CG1-CG2 4.38Å; V185-V189 HydrophobicContact CG1-CG2 4Å; V185-V189 WeakPolarHBondContact O-CB 3.25Å; V185-V189 WeakPolarHBondContact O-CG2 3.28Å; V185-V189 PolarHBondContact O-N 2.84Å; Q187-V189 VanDerWaalsContact C-N 3.3Å; Q187-V189 PolarHBondContact O-N 2.83Å; V189-S192 WeakPolarHBondContact CA-OG 3.25Å; V189-S192 CarbonylContact O-C 3.58Å; V189-S192 WeakPolarHBondContact O-CA 3.45Å; V189-S192 PolarHBondContact O-N 2.86Å; V189-S192 PolarHBondContact O-OG 3.03Å; V189-G193 VanDerWaalsContact O-CA 3.27Å; V189-G193 WeakPolarHBondContact O-CA 3.2Å; V189-G193 PolarHBondContact O-N 3.31Å
190S59.7Low60.8Low66 Ų6673.1 Ų73.146%0.46239%0.389SS..Hα-helixtrans-68.9-43.8177.6-56.80000112D186 Q187 S192 G193 E194D186-S190 VanDerWaalsContact O-CB 3.31Å; D186-S190 WeakPolarHBondContact O-CB 3.46Å; D186-S190 PolarHBondContact O-N 3.29Å; D186-S190 PolarHBondContact O-OG 3.12Å; Q187-S190 PolarHBondContact O-N 2.84Å; S190-S192 PolarHBondContact O-N 2.95Å; S190-G193 WeakPolarHBondContact O-CA 3.4Å; S190-G193 PolarHBondContact O-N 3.22Å; S190-E194 PolarHBondContact O-N 3.34Å; S190-E194 VanDerWaalsContact O-N 3.11Å
191E51.8Low58.1Low109 Ų10973.6 Ų73.651%0.50941%0.407SS..Hα-helixtrans-58.4-33.3170.1-70.2174.8-163.100111.5Q183 Q187Q183-E191 VanDerWaalsContact NE2-CD 3.32Å; Q183-E191 PolarHBondContact NE2-OE1 2.93Å; Q183-E191 VanDerWaalsContact NE2-OE1 3.14Å; Q183-E191 PolarHBondContact NE2-OE2 3.25Å; Q183-E191 PolarHBondContact OE1-OE2 3.11Å; Q187-E191 HydrophobicContact CG-CG 4.47Å; Q187-E191 WeakPolarHBondContact CG-OE1 3.26Å; Q187-E191 PolarHBondContact NE2-OE1 3.19Å; Q187-E191 PolarHBondContact O-N 2.86Å
192S44.2Very low55.7Low30 Ų3076.9 Ų76.921%0.2143%0.428CS..THydrogen-bonded Turntrans-83.7-3.4171.390.40000115.1F188 V189 S190 R196F188-S192 WeakPolarHBondContact O-CB 3.33Å; F188-S192 PolarHBondContact O-N 3.19Å; F188-S192 VanDerWaalsContact O-N 3.11Å; V189-S192 WeakPolarHBondContact CA-OG 3.25Å; V189-S192 CarbonylContact O-C 3.58Å; V189-S192 WeakPolarHBondContact O-CA 3.45Å; V189-S192 PolarHBondContact O-N 2.86Å; V189-S192 PolarHBondContact O-OG 3.03Å; S190-S192 PolarHBondContact O-N 2.95Å; S192-R196 VanDerWaalsContact O-CG 3.31Å; S192-R196 WeakPolarHBondContact O-CG 3.31Å; S192-R196 PolarHBondContact O-NE 3.24Å; S192-R196 PolarHBondContact OG-NH2 3.04Å
193G35.9Very low52.9Low35 Ų3577.2 Ų77.236%0.36144%0.44SS..THydrogen-bonded Turntrans-114.1-47.2-156.400000113.6V189 S190 K195V189-G193 VanDerWaalsContact O-CA 3.27Å; V189-G193 WeakPolarHBondContact O-CA 3.2Å; V189-G193 PolarHBondContact O-N 3.31Å; S190-G193 WeakPolarHBondContact O-CA 3.4Å; S190-G193 PolarHBondContact O-N 3.22Å; G193-K195 PolarHBondContact O-N 3.17Å; G193-K195 VanDerWaalsContact O-N 3.13Å
194E35Very low50.1Low183 Ų18381.4 Ų81.486%0.85547%0.472SS*.THydrogen-bonded Turntrans-69-9.8-178.7-62.8-164.2123.500113.6S190S190-E194 PolarHBondContact O-N 3.34Å; S190-E194 VanDerWaalsContact O-N 3.11Å
195K34Very low47.5Very low112 Ų11286.5 Ų86.549%0.48750%0.499SS..THydrogen-bonded Turntrans-130.557.8175-67.2-173.3-174.3176.20113.9G193 S197 A200G193-K195 PolarHBondContact O-N 3.17Å; G193-K195 VanDerWaalsContact O-N 3.13Å; K195-S197 PolarHBondContact O-N 2.67Å; K195-A200 HydrophobicContact CD-CB 4.1Å; K195-A200 WeakPolarHBondContact CD-O 3.43Å; K195-A200 PolarHBondContact NZ-O 2.95Å
196R35.4Very low44.8Very low187 Ų18788.1 Ų88.171%0.70652%0.523SS*.THydrogen-bonded Turntrans-86.526.7164.2-62.6-162.1-180-166.11.7114.6S192S192-R196 VanDerWaalsContact O-CG 3.31Å; S192-R196 WeakPolarHBondContact O-CG 3.31Å; S192-R196 PolarHBondContact O-NE 3.24Å; S192-R196 PolarHBondContact OG-NH2 3.04Å
197S33.1Very low42.6Very low123 Ų12388.6 Ų88.686%0.8655%0.547SS*.THydrogen-bonded Turntrans-13616.7165.1-171.50000112.3K195K195-S197 PolarHBondContact O-N 2.67Å
198S31.9Very low41Very low59 Ų5990.7 Ų90.741%0.41356%0.555SS.*SBendtrans-159.5132.1171.541.80000110.8A200S198-A200 PolarHBondContact O-N 2.73Å
199V37.7Very low39.8Very low91 Ų9195.6 Ų95.655%0.55258%0.578SS**SBendtrans-78.849.4-179.6-165.40000110.8L292V199-L292 HydrophobicContact CB-CD2 4.44Å; V199-L292 HydrophobicContact CG1-CD1 4.46Å; V199-L292 HydrophobicContact CG2-CD2 3.96Å
200A36.6Very low39.5Very low25 Ų2595 Ų9521%0.20757%0.572CS.*  trans-125.245-166.300000112.3K195 S198K195-A200 HydrophobicContact CD-CB 4.1Å; K195-A200 WeakPolarHBondContact CD-O 3.43Å; K195-A200 PolarHBondContact NZ-O 2.95Å; S198-A200 PolarHBondContact O-N 2.73Å
201G28.7Very low40.3Very low64 Ų6497.2 Ų97.266%0.6657%0.574SS**SBendtrans-103.1-8.5167.600000114.3
202L39.1Very low41.7Very low160 Ų16098.4 Ų98.484%0.83858%0.579SS**SBendtrans-110.4-3.1175.1-67173000112.9S204L202-S204 PolarHBondContact O-N 2.95Å; L202-S204 VanDerWaalsContact O-N 3.08Å
203A31.7Very low43.7Very low53 Ų53100.1 Ų100.144%0.43858%0.583SS.*  trans-86.473.6-173.300000112
204S31.3Very low46.1Very low114 Ų114103.2 Ų103.280%0.79759%0.586SS**  trans-150.922167.6-161.60000115.4L202L202-S204 PolarHBondContact O-N 2.95Å; L202-S204 VanDerWaalsContact O-N 3.08Å
205I35.5Very low48.6Very low116 Ų11694.9 Ų94.960%0.59555%0.548SS*.SBendtrans-135.355.6174.9-36.5-179.8000112.5R313I205-R313 PolarHBondContact O-NH2 3.34Å
206G32Very low51Low68 Ų6896.3 Ų96.370%0.70155%0.554SS**SBendtrans128.498.516200000117.2K208G206-K208 VanDerWaalsContact C-N 3.34Å; G206-K208 PolarHBondContact O-N 3.24Å
207G35.3Very low53.3Low93 Ų9387.6 Ų87.696%0.95952%0.522SS*.SBendtrans73.2-37.4141.500000120.9
208K45Very low55.7Low133 Ų13385 Ų8558%0.57850%0.504SS*.  trans-123120.3178.9-76.8-171.4177-179.40111.1G206 I210 E256G206-K208 VanDerWaalsContact C-N 3.34Å; G206-K208 PolarHBondContact O-N 3.24Å; K208-I210 PolarHBondContact O-N 3.03Å; K208-E256 IonicContact NZ-OE2 2.71Å; K208-E256 PolarHBondContact NZ-OE2 3.11Å
209E51.7Low57.8Low127 Ų12783.8 Ų83.859%0.59349%0.492SS*.  trans-70.5121.7170.8-68.2-179.499.700110.4K211 T293E209-K211 HydrophobicContact CB-CD 4.33Å; E209-K211 HydrophobicContact CB-CG 4.3Å; E209-K211 PolarHBondContact O-N 3.14Å; E209-K211 WeakPolarHBondContact OE2-CE 3.38Å; E209-K211 IonicContact OE2-NZ 2.76Å; E209-K211 PolarHBondContact OE2-NZ 3.28Å; E209-T293 PolarHBondContact O-OG1 3.07Å
210I63Low59.3Low46 Ų4685.1 Ų85.124%0.23650%0.501CS..  trans-67.9114.6171.4-59.7172.8000108.6K208 L292 T293 A295K208-I210 PolarHBondContact O-N 3.03Å; I210-L292 HydrophobicContact CG2-CB 4.06Å; I210-T293 WeakPolarHBondContact CA-O 3.39Å; I210-A295 HydrophobicContact CG2-CB 3.98Å
211K76.6Confident60.7Low113 Ų11386.9 Ų86.949%0.49152%0.522SS..  trans-124.6145.5-177.5-73.8170.6178.8163.70110.4E209 L292 T293E209-K211 HydrophobicContact CB-CD 4.33Å; E209-K211 HydrophobicContact CB-CG 4.3Å; E209-K211 PolarHBondContact O-N 3.14Å; E209-K211 WeakPolarHBondContact OE2-CE 3.38Å; E209-K211 IonicContact OE2-NZ 2.76Å; E209-K211 PolarHBondContact OE2-NZ 3.28Å; K211-L292 WeakPolarHBondContact O-CA 3.18Å; K211-T293 PolarHBondContact N-OG1 3.13Å; K211-T293 PolarHBondContact O-N 2.62Å; K211-T293 PolarHBondContact O-OG1 3.31Å
212E82.6Confident62.1Low134 Ų13491.1 Ų91.163%0.62654%0.535SS*.EExtended strand (participates in β ladder)trans-73.7126.6168.1-167.4-172.5140.100109.3T290 V291 L292E212-T290 HydrophobicContact CG-CG2 3.51Å; E212-T290 VanDerWaalsContact OE1-CG2 3.31Å; E212-T290 WeakPolarHBondContact OE1-CG2 3.1Å; E212-V291 CarbonylContact C-O 3.47Å; E212-V291 WeakPolarHBondContact CA-O 3.48Å; E212-L292 HydrophobicContact CB-CD2 4.17Å; E212-L292 HydrophobicContact CG-CD2 4.44Å
213K85.3Confident63.4Low66 Ų6688.7 Ų88.729%0.28752%0.518SS..EExtended strand (participates in β ladder)trans-128.9112.7-179.1-177.5179.6175.1175.50109.6V215 V253 G254 V291 T293K213-V215 HydrophobicContact CD-CG1 4.27Å; K213-V215 HydrophobicContact CG-CG1 4.04Å; K213-V253 WeakPolarHBondContact CE-O 3.31Å; K213-V253 PolarHBondContact NZ-O 3.49Å; K213-G254 VanDerWaalsContact NZ-C 3.31Å; K213-G254 PolarHBondContact NZ-O 3.21Å; K213-V291 HydrophobicContact CB-CG2 3.95Å; K213-V291 PolarHBondContact N-O 2.82Å; K213-V291 PolarHBondContact O-N 3.02Å; K213-T293 HydrophobicContact CB-CG2 3.77Å; K213-T293 HydrophobicContact CD-CG2 4.03Å
214K87.4Confident65.3Low100 Ų10088.7 Ų88.744%0.43552%0.522SS..EExtended strand (participates in β ladder)trans-94.8119.7174.4-178.4151.8-77.4179.20110F216 E263 T288 I289 T290K214-F216 HydrophobicContact CG-CZ 4.38Å; K214-E263 WeakPolarHBondContact CE-OE1 3.44Å; K214-E263 IonicContact NZ-OE1 2.62Å; K214-E263 PolarHBondContact NZ-OE1 2.98Å; K214-T288 HydrophobicContact CD-CG2 3.84Å; K214-T288 HydrophobicContact CG-CG2 3.87Å; K214-I289 CarbonylContact C-O 3.59Å; K214-I289 WeakPolarHBondContact CA-O 3.5Å; K214-T290 WeakPolarHBondContact CE-OG1 3.39Å; K214-T290 PolarHBondContact NZ-OG1 3.06Å
215V85.9Confident67.8Low9 Ų984.7 Ų84.76%0.05549%0.492CS..EExtended strand (participates in β ladder)trans-120.4155.9180-62.80000111.4K213 L217 V253 L255 T288 I289K213-V215 HydrophobicContact CD-CG1 4.27Å; K213-V215 HydrophobicContact CG-CG1 4.04Å; V215-L217 HydrophobicContact CG2-CD1 3.73Å; V215-V253 HydrophobicContact CB-CB 4.1Å; V215-V253 HydrophobicContact CB-CG2 3.94Å; V215-V253 HydrophobicContact CG1-CB 4.07Å; V215-V253 HydrophobicContact CG1-CG2 4.07Å; V215-V253 HydrophobicContact CG2-CG2 4.11Å; V215-L255 HydrophobicContact CG2-CD1 4.34Å; V215-L255 HydrophobicContact CG2-CD2 4.06Å; V215-L255 HydrophobicContact CG2-CG 4.33Å; V215-T288 CarbonylContact O-C 3.55Å; V215-T288 WeakPolarHBondContact O-CA 3.38Å; V215-I289 HydrophobicContact CG2-CB 3.93Å; V215-I289 PolarHBondContact N-O 2.61Å; V215-I289 PolarHBondContact O-N 2.76Å
216F85.4Confident70.2Confident141 Ų14180.5 Ų80.562%0.61848%0.476SS*.EExtended strand (participates in β ladder)trans-121.6116.1178.6-59.9-86.7000109.7K214 L287 T288K214-F216 HydrophobicContact CG-CZ 4.38Å; F216-L287 CarbonylContact C-O 3.57Å; F216-L287 WeakPolarHBondContact CA-O 3.33Å; F216-T288 HydrophobicContact CD1-CG2 3.94Å; F216-T288 WeakPolarHBondContact CD1-OG1 3.41Å; F216-T288 HydrophobicContact CE1-CG2 3.51Å; F216-T288 WeakPolarHBondContact CE1-OG1 3.49Å; F216-T288 HydrophobicContact CZ-CG2 4.14Å
217L83.6Confident73Confident5 Ų578.7 Ų78.73%0.02645%0.45CS..EExtended strand (participates in β ladder)trans-108.1119.8176.6-64.197.4000110.8V215 M225 L249 S250 V253 L255 S286 L287 I289V215-L217 HydrophobicContact CG2-CD1 3.73Å; L217-M225 HydrophobicContact CD2-CG 3.93Å; L217-L249 HydrophobicContact CD2-CB 4.24Å; L217-S250 WeakPolarHBondContact CD2-OG 3.46Å; L217-V253 HydrophobicContact CD1-CG2 4.3Å; L217-V253 HydrophobicContact CD2-CG2 4.36Å; L217-V253 HydrophobicContact CG-CG2 4.21Å; L217-L255 HydrophobicContact CD1-CD1 4.45Å; L217-S286 WeakPolarHBondContact O-CA 3.34Å; L217-L287 PolarHBondContact N-O 2.74Å; L217-L287 PolarHBondContact O-N 2.97Å; L217-I289 HydrophobicContact CD1-CB 4.47Å; L217-I289 HydrophobicContact CD1-CD1 3.74Å; L217-I289 HydrophobicContact CD1-CG1 3.98Å
218S82.4Confident75.6Confident69 Ų6977.2 Ų77.248%0.48343%0.426SS..EExtended strand (participates in β ladder)trans-99.9104.1172.4-174.60000109.7V220 L249S218-V220 PolarHBondContact O-N 2.73Å; S218-V220 WeakPolarHBondContact OG-CG2 2.84Å; S218-L249 WeakPolarHBondContact O-CD1 3.45Å
219L77.9Confident77.9Confident32 Ų3272 Ų7217%0.16840%0.404CS..  trans-83.339.7179.8-50.9177.1000111.3G221 M225 L249 R285 L287L219-G221 PolarHBondContact O-N 3.05Å; L219-M225 HydrophobicContact CD1-CE 4.14Å; L219-M225 HydrophobicContact CD2-CB 3.84Å; L219-M225 HydrophobicContact CD2-CG 4.12Å; L219-L249 HydrophobicContact CD2-CD1 3.91Å; L219-R285 HydrophobicContact CB-CB 4.32Å; L219-R285 WeakPolarHBondContact CB-O 3.35Å; L219-R285 PolarHBondContact N-O 2.82Å; L219-L287 HydrophobicContact CD1-CD1 4.08Å
220V68.9Low79.5Confident119 Ų11968 Ų6872%0.72139%0.389SS*.  trans-97.386.1-176.9-178.80000109.1S218S218-V220 PolarHBondContact O-N 2.73Å; S218-V220 WeakPolarHBondContact OG-CG2 2.84Å
221G64.9Low80.7Confident63 Ų6368.6 Ų68.665%0.64940%0.398SS*.SBendtrans159.8-160.8178.300000112.1L219L219-G221 PolarHBondContact O-N 3.05Å
222T58.9Low80.7Confident153 Ų15364 Ų6494%0.93938%0.383SS*.SBendtrans-90.5-12.2172.950.80000113.4G224T222-G224 PolarHBondContact O-N 3.28Å
223K65.3Low80.1Confident109 Ų10960.3 Ų60.347%0.47437%0.371SS..  trans-71.7121171.5-74.9-171.5174.9-1760110.2L249 E252K223-L249 HydrophobicContact CB-CD1 4.2Å; K223-L249 HydrophobicContact CB-CG 4.27Å; K223-L249 HydrophobicContact CD-CD2 4.32Å; K223-L249 HydrophobicContact CD-CG 4.37Å; K223-E252 IonicContact NZ-OE1 3.47Å; K223-E252 PolarHBondContact NZ-OE1 2.84Å; K223-E252 IonicContact NZ-OE2 2.6Å
224G72.5Confident78.7Confident52 Ų5262.1 Ų62.154%0.53639%0.387SS..  trans-75.1169.1167.900000112.8T222 G226T222-G224 PolarHBondContact O-N 3.28Å; G224-G226 PolarHBondContact O-N 3.43Å
225M83.9Confident77.1Confident31 Ų3166 Ų6615%0.15341%0.407CS..  trans-55.4-50.6-177.3-163.9-171.6-48.600112.5L217 L219 I227 S250 L281 L287L217-M225 HydrophobicContact CD2-CG 3.93Å; L219-M225 HydrophobicContact CD1-CE 4.14Å; L219-M225 HydrophobicContact CD2-CB 3.84Å; L219-M225 HydrophobicContact CD2-CG 4.12Å; M225-I227 HydrophobicContact CG-CG1 4.16Å; M225-I227 HydrophobicContact SD-CD1 3.68Å; M225-I227 HydrophobicContact SD-CG1 3.62Å; M225-S250 WeakPolarHBondContact O-CB 3.19Å; M225-S250 PolarHBondContact O-N 3.5Å; M225-S250 PolarHBondContact O-OG 2.95Å; M225-L281 HydrophobicContact CE-CB 4.2Å; M225-L281 HydrophobicContact CE-CD2 4.29Å; M225-L281 WeakPolarHBondContact CE-O 3.32Å; M225-L281 HydrophobicContact SD-CD2 4.27Å; M225-L287 HydrophobicContact CE-CD1 3.37Å; M225-L287 HydrophobicContact SD-CD1 4.07Å
226G85.9Confident76.5Confident27 Ų2768.1 Ų68.128%0.27842%0.416SS..  trans93.23.3171.300000117G224 K245G224-G226 PolarHBondContact O-N 3.43Å; G226-K245 WeakPolarHBondContact O-CB 3.18Å; G226-K245 PolarHBondContact O-N 3.43Å
227I90.2Very high76.1Confident30 Ų3065.7 Ų65.715%0.15441%0.414CS..EExtended strand (participates in β ladder)trans-90.5147.9165.953.8174.8000112.3M225 I229 I241 N243 V244 L255 I261M225-I227 HydrophobicContact CG-CG1 4.16Å; M225-I227 HydrophobicContact SD-CD1 3.68Å; M225-I227 HydrophobicContact SD-CG1 3.62Å; I227-I229 HydrophobicContact CD1-CG2 3.93Å; I227-I241 HydrophobicContact CB-CG2 4.19Å; I227-I241 HydrophobicContact CD1-CD1 4.28Å; I227-I241 HydrophobicContact CD1-CG1 4.36Å; I227-I241 HydrophobicContact CG2-CD1 4.18Å; I227-I241 HydrophobicContact CG2-CG2 3.81Å; I227-N243 CarbonylContact C-O 3.5Å; I227-N243 WeakPolarHBondContact CA-O 2.9Å; I227-V244 HydrophobicContact CG2-CG1 4.22Å; I227-V244 HydrophobicContact CG2-CG2 4.08Å; I227-L255 HydrophobicContact CG2-CD1 4.3Å; I227-I261 HydrophobicContact CD1-CD1 4.25Å
228S90.5Very high76.2Confident63 Ų6365.9 Ų65.944%0.44142%0.417SS..EExtended strand (participates in β ladder)trans-96.4144.6151.8-64.30000108.7I241 S242 N243S228-I241 WeakPolarHBondContact O-CA 2.85Å; S228-S242 PolarHBondContact O-N 2.88Å; S228-S242 PolarHBondContact O-OG 3.21Å; S228-N243 PolarHBondContact N-O 2.85Å
229I92.1Very high76.7Confident24 Ų2462.6 Ų62.612%0.12339%0.394CS..EExtended strand (participates in β ladder)trans-121.3149171.257156.3000110.7I227 I239 Y240 I241 I261 H274 A277 V278 L281I227-I229 HydrophobicContact CD1-CG2 3.93Å; I229-I239 HydrophobicContact CB-CG2 4.07Å; I229-I239 HydrophobicContact CD1-CG2 3.65Å; I229-I239 HydrophobicContact CG1-CG2 4.48Å; I229-I239 HydrophobicContact CG2-CG2 4.3Å; I229-Y240 CarbonylContact C-O 3.51Å; I229-Y240 WeakPolarHBondContact CA-O 3.36Å; I229-Y240 WeakPolarHBondContact CB-O 3.4Å; I229-I241 HydrophobicContact CG2-CG1 4.37Å; I229-I261 HydrophobicContact CG2-CD1 3.81Å; I229-H274 PolarHBondContact O-CE1 2.89Å; I229-A277 HydrophobicContact CD1-CB 4.22Å; I229-V278 HydrophobicContact CD1-CG2 3.84Å; I229-V278 HydrophobicContact CG1-CG2 4.3Å; I229-L281 HydrophobicContact CD1-CD1 3.64Å; I229-L281 HydrophobicContact CG1-CD1 4.39Å; I229-L281 HydrophobicContact CG2-CD1 4.35Å
230S86.7Confident77.5Confident41 Ų4161.2 Ų61.229%0.28739%0.387SS..EExtended strand (participates in β ladder)trans-128.3153.9172.8-63.20000109.4Y240 S242S230-Y240 PolarHBondContact N-O 3.08Å; S230-Y240 PolarHBondContact O-N 3Å; S230-S242 WeakPolarHBondContact OG-CB 3.12Å; S230-S242 PolarHBondContact OG-OG 3.23Å
231S87.9Confident78.6Confident60 Ų6055.6 Ų55.642%0.4235%0.352SS..EExtended strand (participates in β ladder)trans-78.6141.2163-73.50000109.6G238 H274S231-G238 WeakPolarHBondContact CA-O 3.43Å; S231-H274 WeakPolarHBondContact OG-CB 3.38Å
232G76.6Confident79.7Confident17 Ų1754 Ų5418%0.17533%0.331CS..PPolyproline II helixtrans-71.3162.8171.800000112.4K236 G238G232-K236 WeakPolarHBondContact CA-O 3.39Å; G232-G238 PolarHBondContact N-O 2.87Å
233P69.3Low81.1Confident56 Ų5651.1 Ų51.136%0.36431%0.31SS..PPolyproline II helixtrans-65.6167.8176.330.5-36.1000111.5Q235 K236 L299P233-Q235 PolarHBondContact O-N 2.97Å; P233-Q235 VanDerWaalsContact O-N 3.15Å; P233-K236 HydrophobicContact CG-CB 4.25Å; P233-K236 CarbonylContact O-C 3.6Å; P233-K236 PolarHBondContact O-N 2.98Å; P233-L299 HydrophobicContact CG-CD2 3.79Å
234T56.5Low82.4Confident104 Ų10447.1 Ų47.164%0.63830%0.295SS*.THydrogen-bonded Turntrans-56.5-32.2178.151.30000113.3E148 K236E148-T234 WeakPolarHBondContact OE1-CB 3.3Å; T234-K236 VanDerWaalsContact C-N 3.3Å; T234-K236 PolarHBondContact O-N 3.46Å
235Q54Low83.1Confident182 Ų18251.4 Ų51.485%0.8530%0.298SS*.THydrogen-bonded Turntrans-67.3-26.1174.9-64.8168.9-25.500113.7P233P233-Q235 PolarHBondContact O-N 2.97Å; P233-Q235 VanDerWaalsContact O-N 3.15Å
236K73.2Confident83.3Confident53 Ų5355.3 Ų55.323%0.2333%0.326CS..SBendtrans-143.168.7-176.8-155.2174.6-173.6178.60110.3G232 P233 T234 Y240 A295 E298 L299G232-K236 WeakPolarHBondContact CA-O 3.39Å; P233-K236 HydrophobicContact CG-CB 4.25Å; P233-K236 CarbonylContact O-C 3.6Å; P233-K236 PolarHBondContact O-N 2.98Å; T234-K236 VanDerWaalsContact C-N 3.3Å; T234-K236 PolarHBondContact O-N 3.46Å; K236-Y240 WeakPolarHBondContact O-CE2 3.04Å; K236-Y240 PolarHBondContact O-OH 2.87Å; K236-A295 WeakPolarHBondContact CE-O 3.24Å; K236-A295 PolarHBondContact NZ-O 3.49Å; K236-E298 IonicContact NZ-OE1 3.71Å; K236-E298 PolarHBondContact NZ-OE1 3.03Å; K236-E298 IonicContact NZ-OE2 3.57Å; K236-E298 PolarHBondContact NZ-OE2 2.75Å; K236-L299 HydrophobicContact CD-CD1 4.46Å
237P75.9Confident83.2Confident89 Ų8956.8 Ų56.858%0.57834%0.342SS*.  trans-75.7142.7-170.430.9-35.1000111.8
238G87.1Confident83.1Confident9 Ų955.9 Ų55.99%0.09334%0.338CS..SBendtrans153.7-175-179.300000111.8S231 G232S231-G238 WeakPolarHBondContact CA-O 3.43Å; G232-G238 PolarHBondContact N-O 2.87Å
239I93.1Very high82.8Confident0 Ų054.4 Ų54.40%033%0.325CS..EExtended strand (participates in β ladder)trans-107.6120.2174.9-56.7-62.8000108.8I229 I261 F269 A277I229-I239 HydrophobicContact CB-CG2 4.07Å; I229-I239 HydrophobicContact CD1-CG2 3.65Å; I229-I239 HydrophobicContact CG1-CG2 4.48Å; I229-I239 HydrophobicContact CG2-CG2 4.3Å; I239-I261 HydrophobicContact CG2-CB 4.45Å; I239-I261 HydrophobicContact CG2-CD1 4.28Å; I239-I261 PolarHBondContact O-N 3.38Å; I239-F269 HydrophobicContact CB-CD1 4.2Å; I239-F269 HydrophobicContact CG1-CD1 4.19Å; I239-F269 HydrophobicContact CG2-CD1 4.27Å; I239-A277 HydrophobicContact CD1-CB 3.62Å; I239-A277 HydrophobicContact CG1-CB 3.66Å; I239-A277 HydrophobicContact CG2-CB 4.22Å
240Y93.6Very high82.6Confident4 Ų453.2 Ų53.22%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-119147.6-175.8-60.9-92.6000111I229 S230 K236 S242 D259 Q260 L299I229-Y240 CarbonylContact C-O 3.51Å; I229-Y240 WeakPolarHBondContact CA-O 3.36Å; I229-Y240 WeakPolarHBondContact CB-O 3.4Å; S230-Y240 PolarHBondContact N-O 3.08Å; S230-Y240 PolarHBondContact O-N 3Å; K236-Y240 WeakPolarHBondContact O-CE2 3.04Å; K236-Y240 PolarHBondContact O-OH 2.87Å; Y240-S242 PolarHBondContact O-N 3.11Å; Y240-D259 CarbonylContact C-O 3.45Å; Y240-D259 WeakPolarHBondContact CA-O 3.47Å; Y240-Q260 HydrophobicContact CD1-CB 3.64Å; Y240-Q260 HydrophobicContact CD1-CG 3.89Å; Y240-Q260 HydrophobicContact CE1-CB 3.46Å; Y240-Q260 VanDerWaalsContact CE1-CB 3.46Å; Y240-Q260 HydrophobicContact CE1-CG 3.49Å; Y240-Q260 VanDerWaalsContact CE1-CG 3.49Å; Y240-Q260 HydrophobicContact CE2-CG 4.48Å; Y240-Q260 VanDerWaalsContact CZ-CD 3.45Å; Y240-Q260 PolarHBondContact OH-NE2 3.5Å; Y240-Q260 PolarHBondContact OH-OE1 2.97Å; Y240-L299 HydrophobicContact CD1-CD1 4.23Å; Y240-L299 HydrophobicContact CD2-CD1 4.01Å; Y240-L299 HydrophobicContact CE1-CD1 4.28Å; Y240-L299 HydrophobicContact CE2-CD1 4.08Å; Y240-L299 HydrophobicContact CG-CD1 4.11Å
241I93.1Very high82.7Confident0 Ų053.1 Ų53.10%032%0.32CS..EExtended strand (participates in β ladder)trans-79.7113.6173.1-62.1-178.5000108I227 S228 I229 V244 L255 E256 A257 G258 D259 I261 V291I227-I241 HydrophobicContact CB-CG2 4.19Å; I227-I241 HydrophobicContact CD1-CD1 4.28Å; I227-I241 HydrophobicContact CD1-CG1 4.36Å; I227-I241 HydrophobicContact CG2-CD1 4.18Å; I227-I241 HydrophobicContact CG2-CG2 3.81Å; S228-I241 WeakPolarHBondContact O-CA 2.85Å; I229-I241 HydrophobicContact CG2-CG1 4.37Å; I241-V244 HydrophobicContact CG2-CG2 3.5Å; I241-V244 VanDerWaalsContact CG2-CG2 3.5Å; I241-L255 HydrophobicContact CD1-CB 3.99Å; I241-L255 HydrophobicContact CD1-CD1 3.91Å; I241-L255 HydrophobicContact CD1-CD2 3.94Å; I241-L255 HydrophobicContact CD1-CG 4.16Å; I241-E256 WeakPolarHBondContact CG2-O 3.38Å; I241-A257 WeakPolarHBondContact O-CA 3.49Å; I241-G258 PolarHBondContact O-N 3.5Å; I241-D259 HydrophobicContact CB-CB 4.33Å; I241-D259 HydrophobicContact CD1-CB 3.99Å; I241-D259 HydrophobicContact CG1-CB 4.35Å; I241-D259 PolarHBondContact N-O 2.8Å; I241-I261 HydrophobicContact CD1-CD1 4.43Å; I241-I261 HydrophobicContact CD1-CG1 4.25Å; I241-I261 HydrophobicContact CG1-CD1 4.08Å; I241-I261 HydrophobicContact CG1-CG1 3.99Å; I241-V291 HydrophobicContact CD1-CG1 4.4Å
242S88.3Confident82.5Confident29 Ų2955.5 Ų55.520%0.20333%0.325CS..EExtended strand (participates in β ladder)trans-96.3-18.1-17649.60000113.7S228 S230 Y240 F300S228-S242 PolarHBondContact O-N 2.88Å; S228-S242 PolarHBondContact O-OG 3.21Å; S230-S242 WeakPolarHBondContact OG-CB 3.12Å; S230-S242 PolarHBondContact OG-OG 3.23Å; Y240-S242 PolarHBondContact O-N 3.11Å; S242-F300 VanDerWaalsContact CB-CE1 3.4Å
243N88.2Confident83Confident94 Ų9456.7 Ų56.750%0.50333%0.329SS..EExtended strand (participates in β ladder)trans-158.7147.9172.3-160.9-47.7000110I227 S228I227-N243 CarbonylContact C-O 3.5Å; I227-N243 WeakPolarHBondContact CA-O 2.9Å; S228-N243 PolarHBondContact N-O 2.85Å
244V90.9Very high83.8Confident24 Ų2455.3 Ų55.315%0.14533%0.325CS..EExtended strand (participates in β ladder)trans-128.6114.2174.2-167.30000109.3I227 I241 P246 A251 L255I227-V244 HydrophobicContact CG2-CG1 4.22Å; I227-V244 HydrophobicContact CG2-CG2 4.08Å; I241-V244 HydrophobicContact CG2-CG2 3.5Å; I241-V244 VanDerWaalsContact CG2-CG2 3.5Å; V244-P246 WeakPolarHBondContact O-CD 3.14Å; V244-A251 HydrophobicContact CG1-CB 4.12Å; V244-L255 WeakPolarHBondContact CG2-O 3.2Å
245K88.9Confident85.4Confident142 Ų14250.7 Ų50.762%0.61730%0.296SS*.  trans-67127.7-177.4-174171.9-178172.20110.9G226 S248G226-K245 WeakPolarHBondContact O-CB 3.18Å; G226-K245 PolarHBondContact O-N 3.43Å; K245-S248 WeakPolarHBondContact O-CB 3.39Å; K245-S248 PolarHBondContact O-N 3.07Å; K245-S248 PolarHBondContact O-OG 3.1Å
246P87.9Confident87.1Confident114 Ų11446.6 Ų46.674%0.7428%0.277SS*.THydrogen-bonded Turntrans-54.9139.7173.8-27.735.8000112.6V244 S248V244-P246 WeakPolarHBondContact O-CD 3.14Å; P246-S248 PolarHBondContact O-N 2.96Å
247G83.3Confident87.9Confident58 Ų5846.3 Ų46.360%0.59828%0.284SS*.THydrogen-bonded Turntrans6815.8-178.500000115.3
248S88.2Confident88.4Confident10 Ų1042.1 Ų42.17%0.0726%0.257CS..SBendtrans-88.8163.3170.769.70000112.4K245 P246 S250 A251 E252K245-S248 WeakPolarHBondContact O-CB 3.39Å; K245-S248 PolarHBondContact O-N 3.07Å; K245-S248 PolarHBondContact O-OG 3.1Å; P246-S248 PolarHBondContact O-N 2.96Å; S248-S250 PolarHBondContact O-N 3.48Å; S248-S250 VanDerWaalsContact O-N 3.17Å; S248-A251 PolarHBondContact O-N 3.28Å; S248-A251 PolarHBondContact OG-N 3.33Å; S248-E252 WeakPolarHBondContact O-CG 3.43Å; S248-E252 PolarHBondContact O-N 2.8Å
249L84.7Confident88.7Confident32 Ų3241.8 Ų41.817%0.16825%0.253CS..Hα-helixtrans-56.1-31.8174.1-66.1169.7000112.3L217 S218 L219 K223 E252 V253L217-L249 HydrophobicContact CD2-CB 4.24Å; S218-L249 WeakPolarHBondContact O-CD1 3.45Å; L219-L249 HydrophobicContact CD2-CD1 3.91Å; K223-L249 HydrophobicContact CB-CD1 4.2Å; K223-L249 HydrophobicContact CB-CG 4.27Å; K223-L249 HydrophobicContact CD-CD2 4.32Å; K223-L249 HydrophobicContact CD-CG 4.37Å; L249-E252 PolarHBondContact O-N 3.03Å; L249-V253 PolarHBondContact O-N 3.45Å; L249-V253 VanDerWaalsContact O-N 3.13Å
250S88.1Confident88.7Confident0 Ų042.9 Ų42.90%026%0.258CS..Hα-helixtrans-72.1-38.3177-59.10000113.1L217 M225 S248 V253 G254 L255L217-S250 WeakPolarHBondContact CD2-OG 3.46Å; M225-S250 WeakPolarHBondContact O-CB 3.19Å; M225-S250 PolarHBondContact O-N 3.5Å; M225-S250 PolarHBondContact O-OG 2.95Å; S248-S250 PolarHBondContact O-N 3.48Å; S248-S250 VanDerWaalsContact O-N 3.17Å; S250-V253 WeakPolarHBondContact O-CG2 3.48Å; S250-G254 PolarHBondContact O-N 2.97Å; S250-G254 VanDerWaalsContact O-N 3.16Å; S250-L255 PolarHBondContact O-N 3.29Å
251A87.1Confident88.7Confident38 Ų3842.7 Ų42.731%0.31426%0.257SS..Hα-helixtrans-68.5-36.817100000111.5V244 S248 V253 G254V244-A251 HydrophobicContact CG1-CB 4.12Å; S248-A251 PolarHBondContact O-N 3.28Å; S248-A251 PolarHBondContact OG-N 3.33Å; A251-V253 VanDerWaalsContact C-N 3.33Å; A251-V253 PolarHBondContact O-N 3.18Å; A251-G254 WeakPolarHBondContact O-CA 3.31Å; A251-G254 PolarHBondContact O-N 3.02Å
252E84.9Confident88.7Confident110 Ų11043.9 Ų43.951%0.51426%0.264SS..Hα-helixtrans-64.7-31.2177.4-72.5165.9-154.700112.9K223 S248 L249K223-E252 IonicContact NZ-OE1 3.47Å; K223-E252 PolarHBondContact NZ-OE1 2.84Å; K223-E252 IonicContact NZ-OE2 2.6Å; S248-E252 WeakPolarHBondContact O-CG 3.43Å; S248-E252 PolarHBondContact O-N 2.8Å; L249-E252 PolarHBondContact O-N 3.03Å
253V86.4Confident88.9Confident43 Ų4345.2 Ų45.226%0.26127%0.267SS..THydrogen-bonded Turntrans-89.5-0.3168.9-55.80000113.6K213 V215 L217 L249 S250 A251 L255K213-V253 WeakPolarHBondContact CE-O 3.31Å; K213-V253 PolarHBondContact NZ-O 3.49Å; V215-V253 HydrophobicContact CB-CB 4.1Å; V215-V253 HydrophobicContact CB-CG2 3.94Å; V215-V253 HydrophobicContact CG1-CB 4.07Å; V215-V253 HydrophobicContact CG1-CG2 4.07Å; V215-V253 HydrophobicContact CG2-CG2 4.11Å; L217-V253 HydrophobicContact CD1-CG2 4.3Å; L217-V253 HydrophobicContact CD2-CG2 4.36Å; L217-V253 HydrophobicContact CG-CG2 4.21Å; L249-V253 PolarHBondContact O-N 3.45Å; L249-V253 VanDerWaalsContact O-N 3.13Å; S250-V253 WeakPolarHBondContact O-CG2 3.48Å; A251-V253 VanDerWaalsContact C-N 3.33Å; A251-V253 PolarHBondContact O-N 3.18Å; V253-L255 HydrophobicContact CG2-CD1 4.34Å; V253-L255 HydrophobicContact CG2-CG 4.1Å
254G85.8Confident89.2Confident27 Ų2740.7 Ų40.728%0.27824%0.243SC..THydrogen-bonded Turntrans67.142.4177.800000114.7K213 S250 A251K213-G254 VanDerWaalsContact NZ-C 3.31Å; K213-G254 PolarHBondContact NZ-O 3.21Å; S250-G254 PolarHBondContact O-N 2.97Å; S250-G254 VanDerWaalsContact O-N 3.16Å; A251-G254 WeakPolarHBondContact O-CA 3.31Å; A251-G254 PolarHBondContact O-N 3.02Å
255L90.4Very high89.1Confident6 Ų642.9 Ų42.93%0.03125%0.254CS..  trans-70.9141.1160-68172000108.7V215 L217 I227 I241 V244 S250 V253 V291V215-L255 HydrophobicContact CG2-CD1 4.34Å; V215-L255 HydrophobicContact CG2-CD2 4.06Å; V215-L255 HydrophobicContact CG2-CG 4.33Å; L217-L255 HydrophobicContact CD1-CD1 4.45Å; I227-L255 HydrophobicContact CG2-CD1 4.3Å; I241-L255 HydrophobicContact CD1-CB 3.99Å; I241-L255 HydrophobicContact CD1-CD1 3.91Å; I241-L255 HydrophobicContact CD1-CD2 3.94Å; I241-L255 HydrophobicContact CD1-CG 4.16Å; V244-L255 WeakPolarHBondContact CG2-O 3.2Å; S250-L255 PolarHBondContact O-N 3.29Å; V253-L255 HydrophobicContact CG2-CD1 4.34Å; V253-L255 HydrophobicContact CG2-CG 4.1Å; L255-V291 HydrophobicContact CD2-CB 4.39Å; L255-V291 HydrophobicContact CD2-CG1 3.7Å; L255-V291 HydrophobicContact CD2-CG2 3.78Å
256E90.4Very high88.8Confident97 Ų9738.9 Ų38.945%0.45325%0.253SS..  trans-117.2162.4179-70-178-162.900111.5K208 I241 D259K208-E256 IonicContact NZ-OE2 2.71Å; K208-E256 PolarHBondContact NZ-OE2 3.11Å; I241-E256 WeakPolarHBondContact CG2-O 3.38Å; E256-D259 PolarHBondContact N-OD2 3.06Å; E256-D259 WeakPolarHBondContact O-CB 3.35Å; E256-D259 PolarHBondContact O-N 3.1Å
257A89.8Confident88.7Confident47 Ų4736.3 Ų36.339%0.38824%0.236SC..THydrogen-bonded Turntrans-69.2137.4168.200000109.6I241I241-A257 WeakPolarHBondContact O-CA 3.49Å
258G86.8Confident89Confident0 Ų037.3 Ų37.30%023%0.227CC..THydrogen-bonded Turntrans89.6-2.7-170.200000115.2I241 G294 A295 G296 S297I241-G258 PolarHBondContact O-N 3.5Å; G258-G294 CarbonylContact O-C 3.55Å; G258-G294 WeakPolarHBondContact O-CA 3.4Å; G258-A295 PolarHBondContact O-N 3.47Å; G258-A295 VanDerWaalsContact O-N 3.12Å; G258-G296 CarbonylContact O-C 3.32Å; G258-G296 WeakPolarHBondContact O-CA 3.44Å; G258-G296 PolarHBondContact O-N 3.43Å; G258-S297 PolarHBondContact O-N 3.17Å
259D91.9Very high89.1Confident2 Ų236.9 Ų36.91%0.01122%0.224CC..PPolyproline II helixtrans-69.9132170.3-74.9-7.4000110.8Y240 I241 E256 V291 T293 G294Y240-D259 CarbonylContact C-O 3.45Å; Y240-D259 WeakPolarHBondContact CA-O 3.47Å; I241-D259 HydrophobicContact CB-CB 4.33Å; I241-D259 HydrophobicContact CD1-CB 3.99Å; I241-D259 HydrophobicContact CG1-CB 4.35Å; I241-D259 PolarHBondContact N-O 2.8Å; E256-D259 PolarHBondContact N-OD2 3.06Å; E256-D259 WeakPolarHBondContact O-CB 3.35Å; E256-D259 PolarHBondContact O-N 3.1Å; D259-V291 HydrophobicContact CB-CB 4.21Å; D259-V291 HydrophobicContact CB-CG2 4.23Å; D259-T293 WeakPolarHBondContact OD1-CA 2.98Å; D259-G294 PolarHBondContact OD1-N 3.02Å
260Q93.6Very high89Confident24 Ų2438 Ų3811%0.11223%0.233CC..EExtended strand (participates in β ladder)trans-90.8125.2173.5-173.4172.5-9.400110.5Y240 V262 V291 L292 A295Y240-Q260 HydrophobicContact CD1-CB 3.64Å; Y240-Q260 HydrophobicContact CD1-CG 3.89Å; Y240-Q260 HydrophobicContact CE1-CB 3.46Å; Y240-Q260 VanDerWaalsContact CE1-CB 3.46Å; Y240-Q260 HydrophobicContact CE1-CG 3.49Å; Y240-Q260 VanDerWaalsContact CE1-CG 3.49Å; Y240-Q260 HydrophobicContact CE2-CG 4.48Å; Y240-Q260 VanDerWaalsContact CZ-CD 3.45Å; Y240-Q260 PolarHBondContact OH-NE2 3.5Å; Y240-Q260 PolarHBondContact OH-OE1 2.97Å; Q260-V262 HydrophobicContact CG-CG1 4.22Å; Q260-V291 CarbonylContact O-C 3.57Å; Q260-V291 WeakPolarHBondContact O-CA 3.34Å; Q260-V291 VanDerWaalsContact O-CB 3.31Å; Q260-V291 WeakPolarHBondContact O-CB 3.37Å; Q260-L292 HydrophobicContact CB-CB 4.41Å; Q260-L292 PolarHBondContact N-O 3.36Å; Q260-L292 PolarHBondContact O-N 3.45Å; Q260-A295 HydrophobicContact CB-CB 3.86Å
261I93.5Very high88.6Confident0 Ų043.9 Ų43.90%027%0.268CS..EExtended strand (participates in β ladder)trans-78.1124.3171.1-54-179.7000108.9I227 I229 I239 I241 V264 F269 L281 I289 V291I227-I261 HydrophobicContact CD1-CD1 4.25Å; I229-I261 HydrophobicContact CG2-CD1 3.81Å; I239-I261 HydrophobicContact CG2-CB 4.45Å; I239-I261 HydrophobicContact CG2-CD1 4.28Å; I239-I261 PolarHBondContact O-N 3.38Å; I241-I261 HydrophobicContact CD1-CD1 4.43Å; I241-I261 HydrophobicContact CD1-CG1 4.25Å; I241-I261 HydrophobicContact CG1-CD1 4.08Å; I241-I261 HydrophobicContact CG1-CG1 3.99Å; I261-V264 HydrophobicContact CG2-CG2 3.71Å; I261-F269 HydrophobicContact CB-CB 4.5Å; I261-F269 HydrophobicContact CB-CD1 4.1Å; I261-F269 HydrophobicContact CG2-CB 3.97Å; I261-F269 HydrophobicContact CG2-CD1 3.49Å; I261-F269 VanDerWaalsContact CG2-CD1 3.49Å; I261-F269 HydrophobicContact CG2-CE1 4.13Å; I261-F269 HydrophobicContact CG2-CG 3.79Å; I261-F269 WeakPolarHBondContact O-CB 3.45Å; I261-L281 HydrophobicContact CD1-CD1 4.27Å; I261-I289 HydrophobicContact CG1-CG2 4.49Å; I261-I289 HydrophobicContact CG2-CG2 3.92Å; I261-V291 HydrophobicContact CG1-CG1 4.14Å
262V93.4Very high88.4Confident24 Ų2443.8 Ų43.815%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-115.8-22.8180-62.80000113.6Q260 F269 T270 T290 L292Q260-V262 HydrophobicContact CG-CG1 4.22Å; V262-F269 PolarHBondContact O-N 3.28Å; V262-T270 HydrophobicContact CB-CG2 4.09Å; V262-T270 HydrophobicContact CG1-CG2 4.1Å; V262-T290 HydrophobicContact CG2-CG2 3.78Å; V262-T290 WeakPolarHBondContact CG2-O 3.49Å; V262-T290 PolarHBondContact N-O 3.25Å; V262-L292 HydrophobicContact CG1-CD1 3.81Å; V262-L292 HydrophobicContact CG1-CG 3.85Å; V262-L292 HydrophobicContact CG2-CG 4.45Å
263E93.6Very high88.4Confident57 Ų5741.6 Ų41.627%0.26625%0.254SS..EExtended strand (participates in β ladder)trans-150142.5173.7178.4-16659.800110.7K214 V267 I289 T290K214-E263 WeakPolarHBondContact CE-OE1 3.44Å; K214-E263 IonicContact NZ-OE1 2.62Å; K214-E263 PolarHBondContact NZ-OE1 2.98Å; E263-V267 CarbonylContact C-O 3.6Å; E263-V267 VanDerWaalsContact CA-O 3.26Å; E263-V267 WeakPolarHBondContact CA-O 3.23Å; E263-I289 WeakPolarHBondContact O-CA 3.46Å; E263-T290 PolarHBondContact N-O 2.99Å; E263-T290 PolarHBondContact O-N 2.76Å; E263-T290 PolarHBondContact OE1-OG1 2.77Å
264V93.7Very high88.5Confident0 Ų043.4 Ų43.40%026%0.26CS..EExtended strand (participates in β ladder)trans-132.5119.8165.6-177.50000109.7I261 G266 V267 F269 V280 L281 L287 T288 I289I261-V264 HydrophobicContact CG2-CG2 3.71Å; V264-G266 PolarHBondContact O-N 2.9Å; V264-V267 PolarHBondContact N-O 2.92Å; V264-V267 WeakPolarHBondContact O-CB 3.46Å; V264-V267 PolarHBondContact O-N 3.11Å; V264-F269 HydrophobicContact CB-CD2 4.1Å; V264-F269 HydrophobicContact CB-CE2 3.49Å; V264-F269 VanDerWaalsContact CB-CE2 3.49Å; V264-F269 HydrophobicContact CB-CZ 3.76Å; V264-F269 HydrophobicContact CG2-CD1 4.16Å; V264-F269 HydrophobicContact CG2-CD2 3.89Å; V264-F269 HydrophobicContact CG2-CE1 3.75Å; V264-F269 HydrophobicContact CG2-CE2 3.49Å; V264-F269 VanDerWaalsContact CG2-CE2 3.49Å; V264-F269 HydrophobicContact CG2-CG 4.22Å; V264-F269 HydrophobicContact CG2-CZ 3.4Å; V264-F269 VanDerWaalsContact CG2-CZ 3.4Å; V264-V280 HydrophobicContact CB-CG1 4.36Å; V264-V280 HydrophobicContact CG1-CG1 4.39Å; V264-L281 HydrophobicContact CG1-CD2 4.33Å; V264-L281 HydrophobicContact CG2-CD2 3.89Å; V264-L287 HydrophobicContact CG1-CB 4.43Å; V264-L287 HydrophobicContact CG1-CD2 3.91Å; V264-T288 CarbonylContact C-O 3.58Å; V264-T288 WeakPolarHBondContact CA-O 3.42Å; V264-I289 HydrophobicContact CG1-CG1 4.29Å; V264-I289 HydrophobicContact CG2-CG1 4.18Å; V264-I289 HydrophobicContact CG2-CG2 4.2Å
265N88.9Confident88.6Confident70 Ų7050.5 Ų50.537%0.37428%0.278SS..THydrogen-bonded Turntrans51.734.1179.7-71.9-22.8000114.4V267 S286 T288N265-V267 VanDerWaalsContact C-N 3.31Å; N265-S286 PolarHBondContact ND2-O 3.35Å; N265-T288 PolarHBondContact N-O 2.59Å; N265-T288 PolarHBondContact OD1-N 2.83Å
266G82.4Confident88.5Confident58 Ų5854.3 Ų54.360%0.59830%0.296SS*.THydrogen-bonded Turntrans79.58.4-176.800000114.9V264V264-G266 PolarHBondContact O-N 2.9Å
267V86.4Confident88.5Confident60 Ų6049.7 Ų49.736%0.36427%0.274SS..EExtended strand (participates in β ladder)trans-92.8124.7165-173.90000108.1E263 V264 N265 F269 L272 V280E263-V267 CarbonylContact C-O 3.6Å; E263-V267 VanDerWaalsContact CA-O 3.26Å; E263-V267 WeakPolarHBondContact CA-O 3.23Å; V264-V267 PolarHBondContact N-O 2.92Å; V264-V267 WeakPolarHBondContact O-CB 3.46Å; V264-V267 PolarHBondContact O-N 3.11Å; N265-V267 VanDerWaalsContact C-N 3.31Å; V267-F269 HydrophobicContact CB-CE2 4.4Å; V267-F269 HydrophobicContact CG1-CE2 4.38Å; V267-F269 WeakPolarHBondContact O-CD2 3.4Å; V267-L272 HydrophobicContact CG1-CD1 4.28Å; V267-V280 HydrophobicContact CB-CG1 4.28Å; V267-V280 HydrophobicContact CG1-CG2 4.48Å; V267-V280 HydrophobicContact CG2-CG1 4.21Å
268D88.5Confident88.5Confident79 Ų7949.1 Ų49.142%0.42227%0.266SS..EExtended strand (participates in β ladder)trans-64.5136.4172.4172.523.1000111T270 L272D268-T270 VanDerWaalsContact CG-OG1 3.29Å; D268-T270 WeakPolarHBondContact OD1-CB 3.46Å; D268-T270 WeakPolarHBondContact OD1-CG2 3.47Å; D268-T270 PolarHBondContact OD1-N 3.35Å; D268-T270 PolarHBondContact OD1-OG1 2.9Å; D268-T270 PolarHBondContact OD2-OG1 2.8Å; D268-T270 VanDerWaalsContact OD2-OG1 3.11Å; D268-L272 VanDerWaalsContact O-CD1 3.31Å; D268-L272 WeakPolarHBondContact O-CD1 3.49Å; D268-L272 WeakPolarHBondContact O-CG 3.4Å
269F91.4Very high88.7Confident0 Ų056.2 Ų56.20%030%0.296CS..  trans-112.6-4.6178.8-91.2-126.9000113.5I239 I261 V262 V264 V267 T271 L272 A277 V280 L281I239-F269 HydrophobicContact CB-CD1 4.2Å; I239-F269 HydrophobicContact CG1-CD1 4.19Å; I239-F269 HydrophobicContact CG2-CD1 4.27Å; I261-F269 HydrophobicContact CB-CB 4.5Å; I261-F269 HydrophobicContact CB-CD1 4.1Å; I261-F269 HydrophobicContact CG2-CB 3.97Å; I261-F269 HydrophobicContact CG2-CD1 3.49Å; I261-F269 VanDerWaalsContact CG2-CD1 3.49Å; I261-F269 HydrophobicContact CG2-CE1 4.13Å; I261-F269 HydrophobicContact CG2-CG 3.79Å; I261-F269 WeakPolarHBondContact O-CB 3.45Å; V262-F269 PolarHBondContact O-N 3.28Å; V264-F269 HydrophobicContact CB-CD2 4.1Å; V264-F269 HydrophobicContact CB-CE2 3.49Å; V264-F269 VanDerWaalsContact CB-CE2 3.49Å; V264-F269 HydrophobicContact CB-CZ 3.76Å; V264-F269 HydrophobicContact CG2-CD1 4.16Å; V264-F269 HydrophobicContact CG2-CD2 3.89Å; V264-F269 HydrophobicContact CG2-CE1 3.75Å; V264-F269 HydrophobicContact CG2-CE2 3.49Å; V264-F269 VanDerWaalsContact CG2-CE2 3.49Å; V264-F269 HydrophobicContact CG2-CG 4.22Å; V264-F269 HydrophobicContact CG2-CZ 3.4Å; V264-F269 VanDerWaalsContact CG2-CZ 3.4Å; V267-F269 HydrophobicContact CB-CE2 4.4Å; V267-F269 HydrophobicContact CG1-CE2 4.38Å; V267-F269 WeakPolarHBondContact O-CD2 3.4Å; F269-T271 PolarHBondContact O-N 2.93Å; F269-L272 HydrophobicContact CD1-CD1 4.38Å; F269-L272 HydrophobicContact CD2-CD1 3.57Å; F269-L272 HydrophobicContact CE1-CD1 4.48Å; F269-L272 HydrophobicContact CE2-CD1 3.66Å; F269-L272 HydrophobicContact CG-CD1 3.94Å; F269-L272 HydrophobicContact CZ-CD1 4.14Å; F269-A277 HydrophobicContact CD1-CB 4.05Å; F269-A277 HydrophobicContact CE1-CB 3.66Å; F269-A277 HydrophobicContact CZ-CB 4.38Å; F269-V280 HydrophobicContact CE2-CB 4.06Å; F269-V280 HydrophobicContact CE2-CG1 3.75Å; F269-V280 HydrophobicContact CZ-CB 3.85Å; F269-V280 HydrophobicContact CZ-CG1 3.88Å; F269-L281 HydrophobicContact CE1-CD1 4.07Å; F269-L281 HydrophobicContact CE1-CG 3.95Å; F269-L281 HydrophobicContact CZ-CG 4.08Å
270T82.4Confident88.6Confident57 Ų5757.4 Ų57.435%0.3530%0.304SS..THydrogen-bonded Turntrans-63.4-27.4-176.461.50000113.5V262 D268V262-T270 HydrophobicContact CB-CG2 4.09Å; V262-T270 HydrophobicContact CG1-CG2 4.1Å; D268-T270 VanDerWaalsContact CG-OG1 3.29Å; D268-T270 WeakPolarHBondContact OD1-CB 3.46Å; D268-T270 WeakPolarHBondContact OD1-CG2 3.47Å; D268-T270 PolarHBondContact OD1-N 3.35Å; D268-T270 PolarHBondContact OD1-OG1 2.9Å; D268-T270 PolarHBondContact OD2-OG1 2.8Å; D268-T270 VanDerWaalsContact OD2-OG1 3.11Å
271T79.6Confident88.4Confident122 Ų12256.7 Ų56.775%0.74830%0.301SS*.THydrogen-bonded Turntrans-124.18.7-176.959.60000114.8F269F269-T271 PolarHBondContact O-N 2.93Å
272L82.6Confident88.2Confident36 Ų3664.5 Ų64.519%0.18834%0.335CS..  trans-74.4148-178.4-76.1-177.3000113.6V267 D268 F269 E276 A277V267-L272 HydrophobicContact CG1-CD1 4.28Å; D268-L272 VanDerWaalsContact O-CD1 3.31Å; D268-L272 WeakPolarHBondContact O-CD1 3.49Å; D268-L272 WeakPolarHBondContact O-CG 3.4Å; F269-L272 HydrophobicContact CD1-CD1 4.38Å; F269-L272 HydrophobicContact CD2-CD1 3.57Å; F269-L272 HydrophobicContact CE1-CD1 4.48Å; F269-L272 HydrophobicContact CE2-CD1 3.66Å; F269-L272 HydrophobicContact CG-CD1 3.94Å; F269-L272 HydrophobicContact CZ-CD1 4.14Å; L272-E276 HydrophobicContact CD2-CB 4.33Å; L272-A277 HydrophobicContact CB-CB 4.45Å
273D85.1Confident87.8Confident65 Ų6567.6 Ų67.635%0.34836%0.357SS..  trans-71.315416697.325.5000111R275 E276 A277D273-R275 VanDerWaalsContact C-N 3.26Å; D273-R275 PolarHBondContact O-N 2.87Å; D273-R275 VanDerWaalsContact OD1-CA 3.29Å; D273-R275 WeakPolarHBondContact OD1-CA 3.25Å; D273-R275 VanDerWaalsContact OD1-CB 3.27Å; D273-R275 WeakPolarHBondContact OD1-CB 3.27Å; D273-R275 PolarHBondContact OD1-N 3.33Å; D273-R275 IonicContact OD2-CZ 3.61Å; D273-R275 IonicContact OD2-NE 2.7Å; D273-R275 IonicContact OD2-NH2 2.67Å; D273-R275 PolarHBondContact OD2-NH2 3.17Å; D273-R275 VanDerWaalsContact OD2-NH2 3.12Å; D273-E276 PolarHBondContact O-N 2.99Å; D273-E276 PolarHBondContact OD1-N 2.7Å; D273-A277 WeakPolarHBondContact O-CB 3.25Å; D273-A277 PolarHBondContact O-N 2.71Å
274H87.5Confident87.4Confident81 Ų8166.9 Ų66.938%0.37536%0.359SS..Hα-helixtrans-54.1-40.5-178.7-177.177000113.5I229 S231 V278I229-H274 PolarHBondContact O-CE1 2.89Å; S231-H274 WeakPolarHBondContact OG-CB 3.38Å; H274-V278 WeakPolarHBondContact O-CB 3.49Å; H274-V278 VanDerWaalsContact O-CG2 3.22Å; H274-V278 WeakPolarHBondContact O-CG2 3.5Å; H274-V278 PolarHBondContact O-N 2.82Å
275R89.1Confident86.9Confident176 Ų17676.2 Ų76.266%0.66439%0.394SS*.Hα-helixtrans-74.8-35-175171.7-164.462.4167.1-2.6110.9D273 K279D273-R275 VanDerWaalsContact C-N 3.26Å; D273-R275 PolarHBondContact O-N 2.87Å; D273-R275 VanDerWaalsContact OD1-CA 3.29Å; D273-R275 WeakPolarHBondContact OD1-CA 3.25Å; D273-R275 VanDerWaalsContact OD1-CB 3.27Å; D273-R275 WeakPolarHBondContact OD1-CB 3.27Å; D273-R275 PolarHBondContact OD1-N 3.33Å; D273-R275 IonicContact OD2-CZ 3.61Å; D273-R275 IonicContact OD2-NE 2.7Å; D273-R275 IonicContact OD2-NH2 2.67Å; D273-R275 PolarHBondContact OD2-NH2 3.17Å; D273-R275 VanDerWaalsContact OD2-NH2 3.12Å; R275-K279 WeakPolarHBondContact O-CB 3.45Å; R275-K279 PolarHBondContact O-N 3.02Å
276E88.3Confident86.7Confident86 Ų8676.1 Ų76.140%0.40240%0.399SS..Hα-helixtrans-73.3-40.7172.9-65.6-162.8146.400111.8L272 D273 V278 K279 V280L272-E276 HydrophobicContact CD2-CB 4.33Å; D273-E276 PolarHBondContact O-N 2.99Å; D273-E276 PolarHBondContact OD1-N 2.7Å; E276-V278 PolarHBondContact O-N 2.93Å; E276-K279 WeakPolarHBondContact O-CB 2.98Å; E276-K279 PolarHBondContact O-N 3.22Å; E276-K279 VanDerWaalsContact O-N 3.09Å; E276-V280 WeakPolarHBondContact O-CG2 3.45Å; E276-V280 PolarHBondContact O-N 3.02Å
277A89.3Confident87Confident0 Ų073.3 Ų73.30%037%0.37CS..Hα-helixtrans-57.4-48.217100000111.8I229 I239 F269 L272 D273 K279 V280 L281I229-A277 HydrophobicContact CD1-CB 4.22Å; I239-A277 HydrophobicContact CD1-CB 3.62Å; I239-A277 HydrophobicContact CG1-CB 3.66Å; I239-A277 HydrophobicContact CG2-CB 4.22Å; F269-A277 HydrophobicContact CD1-CB 4.05Å; F269-A277 HydrophobicContact CE1-CB 3.66Å; F269-A277 HydrophobicContact CZ-CB 4.38Å; L272-A277 HydrophobicContact CB-CB 4.45Å; D273-A277 WeakPolarHBondContact O-CB 3.25Å; D273-A277 PolarHBondContact O-N 2.71Å; A277-K279 VanDerWaalsContact C-N 3.29Å; A277-K279 PolarHBondContact O-N 3.14Å; A277-V280 PolarHBondContact O-N 3.32Å; A277-L281 WeakPolarHBondContact O-CB 3.34Å; A277-L281 WeakPolarHBondContact O-CG 3.31Å; A277-L281 PolarHBondContact O-N 2.79Å
278V90.6Very high87.1Confident35 Ų3572.1 Ų72.121%0.21236%0.363CS..Hα-helixtrans-60.9-35.4173.6167.30000112.1I229 H274 E276 K282I229-V278 HydrophobicContact CD1-CG2 3.84Å; I229-V278 HydrophobicContact CG1-CG2 4.3Å; H274-V278 WeakPolarHBondContact O-CB 3.49Å; H274-V278 VanDerWaalsContact O-CG2 3.22Å; H274-V278 WeakPolarHBondContact O-CG2 3.5Å; H274-V278 PolarHBondContact O-N 2.82Å; E276-V278 PolarHBondContact O-N 2.93Å; V278-K282 HydrophobicContact CG1-CD 3.9Å; V278-K282 VanDerWaalsContact CG1-NZ 3.34Å; V278-K282 WeakPolarHBondContact O-CB 3.35Å; V278-K282 WeakPolarHBondContact O-CD 3.39Å; V278-K282 VanDerWaalsContact O-CG 3.24Å; V278-K282 WeakPolarHBondContact O-CG 3.49Å; V278-K282 PolarHBondContact O-N 2.65Å
279K90.6Very high87.2Confident148 Ų14868.3 Ų68.364%0.64334%0.343SS*.Hα-helixtrans-68.5-44177.4-178.8-174.2175.3-170.20111.8R275 E276 A277 K282 S283R275-K279 WeakPolarHBondContact O-CB 3.45Å; R275-K279 PolarHBondContact O-N 3.02Å; E276-K279 WeakPolarHBondContact O-CB 2.98Å; E276-K279 PolarHBondContact O-N 3.22Å; E276-K279 VanDerWaalsContact O-N 3.09Å; A277-K279 VanDerWaalsContact C-N 3.29Å; A277-K279 PolarHBondContact O-N 3.14Å; K279-K282 CarbonylContact O-C 3.43Å; K279-K282 PolarHBondContact O-N 3.15Å; K279-S283 WeakPolarHBondContact O-CB 3.44Å; K279-S283 PolarHBondContact O-N 2.89Å
280V90.8Very high87.2Confident28 Ų2868.5 Ų68.517%0.1734%0.344CS..Hα-helixtrans-70.9-41.6179.1176.10000111.4V264 V267 F269 E276 A277 K282 S283V264-V280 HydrophobicContact CB-CG1 4.36Å; V264-V280 HydrophobicContact CG1-CG1 4.39Å; V267-V280 HydrophobicContact CB-CG1 4.28Å; V267-V280 HydrophobicContact CG1-CG2 4.48Å; V267-V280 HydrophobicContact CG2-CG1 4.21Å; F269-V280 HydrophobicContact CE2-CB 4.06Å; F269-V280 HydrophobicContact CE2-CG1 3.75Å; F269-V280 HydrophobicContact CZ-CB 3.85Å; F269-V280 HydrophobicContact CZ-CG1 3.88Å; E276-V280 WeakPolarHBondContact O-CG2 3.45Å; E276-V280 PolarHBondContact O-N 3.02Å; A277-V280 PolarHBondContact O-N 3.32Å; V280-K282 PolarHBondContact O-N 2.71Å; V280-K282 VanDerWaalsContact O-N 3.14Å; V280-S283 PolarHBondContact O-N 3.24Å; V280-S283 VanDerWaalsContact O-N 3.11Å; V280-S283 PolarHBondContact O-OG 2.92Å
281L89.6Confident87.7Confident9 Ų965.8 Ų65.85%0.04733%0.327CS..Hα-helixtrans-60.8-21.4172.3-76168.3000113.3M225 I229 I261 V264 F269 A277 L287 I289M225-L281 HydrophobicContact CE-CB 4.2Å; M225-L281 HydrophobicContact CE-CD2 4.29Å; M225-L281 WeakPolarHBondContact CE-O 3.32Å; M225-L281 HydrophobicContact SD-CD2 4.27Å; I229-L281 HydrophobicContact CD1-CD1 3.64Å; I229-L281 HydrophobicContact CG1-CD1 4.39Å; I229-L281 HydrophobicContact CG2-CD1 4.35Å; I261-L281 HydrophobicContact CD1-CD1 4.27Å; V264-L281 HydrophobicContact CG1-CD2 4.33Å; V264-L281 HydrophobicContact CG2-CD2 3.89Å; F269-L281 HydrophobicContact CE1-CD1 4.07Å; F269-L281 HydrophobicContact CE1-CG 3.95Å; F269-L281 HydrophobicContact CZ-CG 4.08Å; A277-L281 WeakPolarHBondContact O-CB 3.34Å; A277-L281 WeakPolarHBondContact O-CG 3.31Å; A277-L281 PolarHBondContact O-N 2.79Å; L281-L287 HydrophobicContact CD2-CD1 4.24Å; L281-I289 HydrophobicContact CD2-CD1 3.86Å
282K88.6Confident88.1Confident163 Ų16361 Ų6171%0.70930%0.297SS*.Hα-helixtrans-100.7-7.1176.5-70.8173.2-178.5170.70114.2V278 K279 V280 S284V278-K282 HydrophobicContact CG1-CD 3.9Å; V278-K282 VanDerWaalsContact CG1-NZ 3.34Å; V278-K282 WeakPolarHBondContact O-CB 3.35Å; V278-K282 WeakPolarHBondContact O-CD 3.39Å; V278-K282 VanDerWaalsContact O-CG 3.24Å; V278-K282 WeakPolarHBondContact O-CG 3.49Å; V278-K282 PolarHBondContact O-N 2.65Å; K279-K282 CarbonylContact O-C 3.43Å; K279-K282 PolarHBondContact O-N 3.15Å; V280-K282 PolarHBondContact O-N 2.71Å; V280-K282 VanDerWaalsContact O-N 3.14Å; K282-S284 PolarHBondContact O-N 2.84Å
283S84.8Confident88.3Confident89 Ų8961 Ų6162%0.62230%0.298SS*.SBendtrans-84.1-6.2-173.169.70000114.7K279 V280K279-S283 WeakPolarHBondContact O-CB 3.44Å; K279-S283 PolarHBondContact O-N 2.89Å; V280-S283 PolarHBondContact O-N 3.24Å; V280-S283 VanDerWaalsContact O-N 3.11Å; V280-S283 PolarHBondContact O-OG 2.92Å
284S84.8Confident88.1Confident42 Ų4258.5 Ų58.529%0.29429%0.288SS..  trans-141.4151.7178.4-178.70000111.7K282 S286K282-S284 PolarHBondContact O-N 2.84Å; S284-S286 WeakPolarHBondContact CB-O 3.26Å; S284-S286 PolarHBondContact OG-N 3.33Å; S284-S286 PolarHBondContact OG-O 2.93Å
285R83.7Confident87.8Confident196 Ų19654.9 Ų54.974%0.7427%0.272SS*.SBendtrans-90.5-1.9168.5-65.6-174.6-176.1162.30.7113.5L219L219-R285 HydrophobicContact CB-CB 4.32Å; L219-R285 WeakPolarHBondContact CB-O 3.35Å; L219-R285 PolarHBondContact N-O 2.82Å
286S85.3Confident87.4Confident68 Ų6846.5 Ų46.548%0.47624%0.241SC..EExtended strand (participates in β ladder)trans-127.5122.8170.6-173.40000108.8L217 N265 S284L217-S286 WeakPolarHBondContact O-CA 3.34Å; N265-S286 PolarHBondContact ND2-O 3.35Å; S284-S286 WeakPolarHBondContact CB-O 3.26Å; S284-S286 PolarHBondContact OG-N 3.33Å; S284-S286 PolarHBondContact OG-O 2.93Å
287L88.5Confident87Confident0 Ų044.1 Ų44.10%023%0.234CC..EExtended strand (participates in β ladder)trans-126.1115.1-175.7-56.8176.4000109.7F216 L217 L219 M225 V264 L281 I289F216-L287 CarbonylContact C-O 3.57Å; F216-L287 WeakPolarHBondContact CA-O 3.33Å; L217-L287 PolarHBondContact N-O 2.74Å; L217-L287 PolarHBondContact O-N 2.97Å; L219-L287 HydrophobicContact CD1-CD1 4.08Å; M225-L287 HydrophobicContact CE-CD1 3.37Å; M225-L287 HydrophobicContact SD-CD1 4.07Å; V264-L287 HydrophobicContact CG1-CB 4.43Å; V264-L287 HydrophobicContact CG1-CD2 3.91Å; L281-L287 HydrophobicContact CD2-CD1 4.24Å; L287-I289 HydrophobicContact CB-CD1 4.24Å; L287-I289 HydrophobicContact CB-CG1 3.9Å; L287-I289 HydrophobicContact CD1-CD1 4.26Å
288T87.5Confident86.4Confident34 Ų3449.4 Ų49.421%0.20926%0.258CS..EExtended strand (participates in β ladder)trans-83.6112.7157.6-52.50000106.5K214 V215 F216 V264 N265K214-T288 HydrophobicContact CD-CG2 3.84Å; K214-T288 HydrophobicContact CG-CG2 3.87Å; V215-T288 CarbonylContact O-C 3.55Å; V215-T288 WeakPolarHBondContact O-CA 3.38Å; F216-T288 HydrophobicContact CD1-CG2 3.94Å; F216-T288 WeakPolarHBondContact CD1-OG1 3.41Å; F216-T288 HydrophobicContact CE1-CG2 3.51Å; F216-T288 WeakPolarHBondContact CE1-OG1 3.49Å; F216-T288 HydrophobicContact CZ-CG2 4.14Å; V264-T288 CarbonylContact C-O 3.58Å; V264-T288 WeakPolarHBondContact CA-O 3.42Å; N265-T288 PolarHBondContact N-O 2.59Å; N265-T288 PolarHBondContact OD1-N 2.83Å
289I91.9Very high85.7Confident0 Ų050.4 Ų50.40%026%0.262CS..EExtended strand (participates in β ladder)trans-112.5132.2179.1-53.5-170.4000108.7K214 V215 L217 I261 E263 V264 L281 L287 V291K214-I289 CarbonylContact C-O 3.59Å; K214-I289 WeakPolarHBondContact CA-O 3.5Å; V215-I289 HydrophobicContact CG2-CB 3.93Å; V215-I289 PolarHBondContact N-O 2.61Å; V215-I289 PolarHBondContact O-N 2.76Å; L217-I289 HydrophobicContact CD1-CB 4.47Å; L217-I289 HydrophobicContact CD1-CD1 3.74Å; L217-I289 HydrophobicContact CD1-CG1 3.98Å; I261-I289 HydrophobicContact CG1-CG2 4.49Å; I261-I289 HydrophobicContact CG2-CG2 3.92Å; E263-I289 WeakPolarHBondContact O-CA 3.46Å; V264-I289 HydrophobicContact CG1-CG1 4.29Å; V264-I289 HydrophobicContact CG2-CG1 4.18Å; V264-I289 HydrophobicContact CG2-CG2 4.2Å; L281-I289 HydrophobicContact CD2-CD1 3.86Å; L287-I289 HydrophobicContact CB-CD1 4.24Å; L287-I289 HydrophobicContact CB-CG1 3.9Å; L287-I289 HydrophobicContact CD1-CD1 4.26Å; I289-V291 HydrophobicContact CG2-CG1 3.79Å
290T90.5Very high85Confident3 Ų346.5 Ų46.52%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-106.2125.4169.8-45.60000108.3E212 K214 V262 E263E212-T290 HydrophobicContact CG-CG2 3.51Å; E212-T290 VanDerWaalsContact OE1-CG2 3.31Å; E212-T290 WeakPolarHBondContact OE1-CG2 3.1Å; K214-T290 WeakPolarHBondContact CE-OG1 3.39Å; K214-T290 PolarHBondContact NZ-OG1 3.06Å; V262-T290 HydrophobicContact CG2-CG2 3.78Å; V262-T290 WeakPolarHBondContact CG2-O 3.49Å; V262-T290 PolarHBondContact N-O 3.25Å; E263-T290 PolarHBondContact N-O 2.99Å; E263-T290 PolarHBondContact O-N 2.76Å; E263-T290 PolarHBondContact OE1-OG1 2.77Å
291V92.4Very high83.8Confident0 Ų048.9 Ų48.90%026%0.255CS..EExtended strand (participates in β ladder)trans-122.4155.8174.7-53.30000112.2E212 K213 I241 L255 D259 Q260 I261 I289 T293E212-V291 CarbonylContact C-O 3.47Å; E212-V291 WeakPolarHBondContact CA-O 3.48Å; K213-V291 HydrophobicContact CB-CG2 3.95Å; K213-V291 PolarHBondContact N-O 2.82Å; K213-V291 PolarHBondContact O-N 3.02Å; I241-V291 HydrophobicContact CD1-CG1 4.4Å; L255-V291 HydrophobicContact CD2-CB 4.39Å; L255-V291 HydrophobicContact CD2-CG1 3.7Å; L255-V291 HydrophobicContact CD2-CG2 3.78Å; D259-V291 HydrophobicContact CB-CB 4.21Å; D259-V291 HydrophobicContact CB-CG2 4.23Å; Q260-V291 CarbonylContact O-C 3.57Å; Q260-V291 WeakPolarHBondContact O-CA 3.34Å; Q260-V291 VanDerWaalsContact O-CB 3.31Å; Q260-V291 WeakPolarHBondContact O-CB 3.37Å; I261-V291 HydrophobicContact CG1-CG1 4.14Å; I289-V291 HydrophobicContact CG2-CG1 3.79Å; V291-T293 HydrophobicContact CG2-CG2 4.48Å
292L89.1Confident82.8Confident23 Ų2351.9 Ų51.912%0.1227%0.274CS..EExtended strand (participates in β ladder)trans-99.5115.3163-62.2174.9000108.1V199 I210 K211 E212 Q260 V262 G294 A295V199-L292 HydrophobicContact CB-CD2 4.44Å; V199-L292 HydrophobicContact CG1-CD1 4.46Å; V199-L292 HydrophobicContact CG2-CD2 3.96Å; I210-L292 HydrophobicContact CG2-CB 4.06Å; K211-L292 WeakPolarHBondContact O-CA 3.18Å; E212-L292 HydrophobicContact CB-CD2 4.17Å; E212-L292 HydrophobicContact CG-CD2 4.44Å; Q260-L292 HydrophobicContact CB-CB 4.41Å; Q260-L292 PolarHBondContact N-O 3.36Å; Q260-L292 PolarHBondContact O-N 3.45Å; V262-L292 HydrophobicContact CG1-CD1 3.81Å; V262-L292 HydrophobicContact CG1-CG 3.85Å; V262-L292 HydrophobicContact CG2-CG 4.45Å; L292-G294 PolarHBondContact O-N 3.27Å; L292-A295 HydrophobicContact CB-CB 3.47Å; L292-A295 VanDerWaalsContact CB-CB 3.47Å; L292-A295 HydrophobicContact CD1-CB 4.48Å; L292-A295 WeakPolarHBondContact O-CB 3.45Å; L292-A295 PolarHBondContact O-N 2.84Å
293T86.5Confident81.4Confident34 Ų3449 Ų4921%0.20927%0.266CS..THydrogen-bonded Turntrans-68.4125.8-169.457.70000112.1E209 I210 K211 K213 D259 V291 A295E209-T293 PolarHBondContact O-OG1 3.07Å; I210-T293 WeakPolarHBondContact CA-O 3.39Å; K211-T293 PolarHBondContact N-OG1 3.13Å; K211-T293 PolarHBondContact O-N 2.62Å; K211-T293 PolarHBondContact O-OG1 3.31Å; K213-T293 HydrophobicContact CB-CG2 3.77Å; K213-T293 HydrophobicContact CD-CG2 4.03Å; D259-T293 WeakPolarHBondContact OD1-CA 2.98Å; V291-T293 HydrophobicContact CG2-CG2 4.48Å; T293-A295 PolarHBondContact O-N 2.85Å; T293-A295 VanDerWaalsContact O-N 3.14Å
294G79.9Confident80.4Confident13 Ų1352.3 Ų52.313%0.13427%0.272CS..THydrogen-bonded Turntrans61.214-177.500000115.4G258 D259 L292 G296 S297G258-G294 CarbonylContact O-C 3.55Å; G258-G294 WeakPolarHBondContact O-CA 3.4Å; D259-G294 PolarHBondContact OD1-N 3.02Å; L292-G294 PolarHBondContact O-N 3.27Å; G294-G296 PolarHBondContact O-N 3.45Å; G294-S297 WeakPolarHBondContact CA-OG 3.34Å; G294-S297 PolarHBondContact O-N 3.34Å; G294-S297 PolarHBondContact O-OG 3.39Å
295A82.5Confident79.5Confident6 Ų655.2 Ų55.25%0.0528%0.281CS..THydrogen-bonded Turntrans-68.8-3-176.300000114.8I210 K236 G258 Q260 L292 T293I210-A295 HydrophobicContact CG2-CB 3.98Å; K236-A295 WeakPolarHBondContact CE-O 3.24Å; K236-A295 PolarHBondContact NZ-O 3.49Å; G258-A295 PolarHBondContact O-N 3.47Å; G258-A295 VanDerWaalsContact O-N 3.12Å; Q260-A295 HydrophobicContact CB-CB 3.86Å; L292-A295 HydrophobicContact CB-CB 3.47Å; L292-A295 VanDerWaalsContact CB-CB 3.47Å; L292-A295 HydrophobicContact CD1-CB 4.48Å; L292-A295 WeakPolarHBondContact O-CB 3.45Å; L292-A295 PolarHBondContact O-N 2.84Å; T293-A295 PolarHBondContact O-N 2.85Å; T293-A295 VanDerWaalsContact O-N 3.14Å
296G80.6Confident78.6Confident0 Ų051.1 Ų51.10%027%0.266CS..THydrogen-bonded Turntrans-137.729.5165.400000112.1G258 G294 E298 L299 F300G258-G296 CarbonylContact O-C 3.32Å; G258-G296 WeakPolarHBondContact O-CA 3.44Å; G258-G296 PolarHBondContact O-N 3.43Å; G294-G296 PolarHBondContact O-N 3.45Å; G296-E298 WeakPolarHBondContact CA-OE2 3.25Å; G296-E298 PolarHBondContact O-N 2.85Å; G296-L299 VanDerWaalsContact O-CB 3.31Å; G296-L299 WeakPolarHBondContact O-CB 3.44Å; G296-L299 PolarHBondContact O-N 2.87Å; G296-L299 VanDerWaalsContact O-N 3.07Å; G296-F300 WeakPolarHBondContact O-CD2 3.34Å
297S80.1Confident77.7Confident36 Ų3652.8 Ų52.825%0.25227%0.268SS..G310 helixtrans-56.5-37.6178.5-76.90000112.4G258 G294 L299 F300 M301G258-S297 PolarHBondContact O-N 3.17Å; G294-S297 WeakPolarHBondContact CA-OG 3.34Å; G294-S297 PolarHBondContact O-N 3.34Å; G294-S297 PolarHBondContact O-OG 3.39Å; S297-L299 PolarHBondContact O-N 3Å; S297-L299 VanDerWaalsContact O-N 3.13Å; S297-F300 PolarHBondContact O-N 3.36Å; S297-M301 WeakPolarHBondContact O-CG 3.39Å; S297-M301 PolarHBondContact O-N 3.41Å; S297-M301 VanDerWaalsContact O-N 3.17Å
298E75.9Confident76.9Confident111 Ų11154.5 Ų54.552%0.51928%0.283SS..G310 helixtrans-66-15.7179.475.5-87.6-123.700113.7K236 G296 F300K236-E298 IonicContact NZ-OE1 3.71Å; K236-E298 PolarHBondContact NZ-OE1 3.03Å; K236-E298 IonicContact NZ-OE2 3.57Å; K236-E298 PolarHBondContact NZ-OE2 2.75Å; G296-E298 WeakPolarHBondContact CA-OE2 3.25Å; G296-E298 PolarHBondContact O-N 2.85Å; E298-F300 VanDerWaalsContact C-N 3.26Å; E298-F300 PolarHBondContact O-N 2.84Å
299L76.4Confident75.9Confident55 Ų5553.8 Ų53.829%0.28828%0.28SS..G310 helixtrans-78.4-10175.3-53.5178.6000113P233 K236 Y240 G296 S297P233-L299 HydrophobicContact CG-CD2 3.79Å; K236-L299 HydrophobicContact CD-CD1 4.46Å; Y240-L299 HydrophobicContact CD1-CD1 4.23Å; Y240-L299 HydrophobicContact CD2-CD1 4.01Å; Y240-L299 HydrophobicContact CE1-CD1 4.28Å; Y240-L299 HydrophobicContact CE2-CD1 4.08Å; Y240-L299 HydrophobicContact CG-CD1 4.11Å; G296-L299 VanDerWaalsContact O-CB 3.31Å; G296-L299 WeakPolarHBondContact O-CB 3.44Å; G296-L299 PolarHBondContact O-N 2.87Å; G296-L299 VanDerWaalsContact O-N 3.07Å; S297-L299 PolarHBondContact O-N 3Å; S297-L299 VanDerWaalsContact O-N 3.13Å
300F75.1Confident74.6Confident67 Ų6757.6 Ų57.629%0.29430%0.298SS..SBendtrans-138.511.7-174.8-49.6-73.5000113.8S242 G296 S297 E298S242-F300 VanDerWaalsContact CB-CE1 3.4Å; G296-F300 WeakPolarHBondContact O-CD2 3.34Å; S297-F300 PolarHBondContact O-N 3.36Å; E298-F300 VanDerWaalsContact C-N 3.26Å; E298-F300 PolarHBondContact O-N 2.84Å
301M66.2Low73.6Confident78 Ų7860.2 Ų60.238%0.38432%0.32SS..  trans-67.3144.1169.3-69.1179.478.300109.9S297 E305 A309S297-M301 WeakPolarHBondContact O-CG 3.39Å; S297-M301 PolarHBondContact O-N 3.41Å; S297-M301 VanDerWaalsContact O-N 3.17Å; M301-E305 WeakPolarHBondContact CA-OE2 3.35Å; M301-E305 HydrophobicContact CB-CB 4.33Å; M301-E305 HydrophobicContact CE-CB 3.9Å; M301-E305 WeakPolarHBondContact CE-O 3.44Å; M301-A309 HydrophobicContact CE-CB 4.16Å
302T69.3Low72.6Confident72 Ų7267.8 Ų67.844%0.44235%0.348SS..  trans-75.1159.5166.468.30000110.5E304 E305 R306T302-E304 PolarHBondContact O-N 2.89Å; T302-E305 PolarHBondContact N-OE2 3.07Å; T302-E305 PolarHBondContact O-N 3.45Å; T302-E305 VanDerWaalsContact O-N 3.13Å; T302-E305 WeakPolarHBondContact OG1-CG 3.4Å; T302-E305 PolarHBondContact OG1-N 3.13Å; T302-E305 VanDerWaalsContact OG1-N 3.07Å; T302-R306 WeakPolarHBondContact O-CB 3.42Å; T302-R306 PolarHBondContact O-N 3.28Å
303D58.6Low71.6Confident102 Ų10272.5 Ų72.555%0.54537%0.365SS..Hα-helixtrans-60.7-29.8172.7-75.9-67.9000112.5R306 L307D303-R306 PolarHBondContact O-N 3.28Å; D303-R306 IonicContact OD1-CZ 3.76Å; D303-R306 VanDerWaalsContact OD1-CZ 3.31Å; D303-R306 IonicContact OD1-NE 2.68Å; D303-R306 PolarHBondContact OD1-NE 3.3Å; D303-R306 IonicContact OD1-NH2 3.87Å; D303-R306 PolarHBondContact OD1-NH2 3.12Å; D303-L307 VanDerWaalsContact O-CB 3.3Å; D303-L307 WeakPolarHBondContact O-CB 3.49Å; D303-L307 WeakPolarHBondContact O-CG 3.46Å; D303-L307 PolarHBondContact O-N 2.65Å
304E63.8Low70.6Confident159 Ų15974 Ų7474%0.74337%0.369SS*.Hα-helixtrans-64.3-46.6171.6-173.7-176.8-173.300111.8T302 R306 A308T302-E304 PolarHBondContact O-N 2.89Å; E304-R306 VanDerWaalsContact C-N 3.31Å; E304-R306 PolarHBondContact O-N 2.87Å; E304-A308 WeakPolarHBondContact O-CB 3.18Å; E304-A308 PolarHBondContact O-N 2.91Å
305E66.4Low70.2Confident102 Ų10277.3 Ų77.348%0.47739%0.387SS..Hα-helixtrans-65.4-35.1175.4-73.5-176.8136.600112.3M301 T302 A309M301-E305 WeakPolarHBondContact CA-OE2 3.35Å; M301-E305 HydrophobicContact CB-CB 4.33Å; M301-E305 HydrophobicContact CE-CB 3.9Å; M301-E305 WeakPolarHBondContact CE-O 3.44Å; T302-E305 PolarHBondContact N-OE2 3.07Å; T302-E305 PolarHBondContact O-N 3.45Å; T302-E305 VanDerWaalsContact O-N 3.13Å; T302-E305 WeakPolarHBondContact OG1-CG 3.4Å; T302-E305 PolarHBondContact OG1-N 3.13Å; T302-E305 VanDerWaalsContact OG1-N 3.07Å; E305-A309 WeakPolarHBondContact O-CB 3.22Å; E305-A309 PolarHBondContact O-N 2.89Å
306R64.9Low69.4Low111 Ų11183.5 Ų83.542%0.41942%0.415SS..Hα-helixtrans-67-54177.1-177.4173.370.181.1-7.4111.2T302 D303 E304 A308 A309 E310T302-R306 WeakPolarHBondContact O-CB 3.42Å; T302-R306 PolarHBondContact O-N 3.28Å; D303-R306 PolarHBondContact O-N 3.28Å; D303-R306 IonicContact OD1-CZ 3.76Å; D303-R306 VanDerWaalsContact OD1-CZ 3.31Å; D303-R306 IonicContact OD1-NE 2.68Å; D303-R306 PolarHBondContact OD1-NE 3.3Å; D303-R306 IonicContact OD1-NH2 3.87Å; D303-R306 PolarHBondContact OD1-NH2 3.12Å; E304-R306 VanDerWaalsContact C-N 3.31Å; E304-R306 PolarHBondContact O-N 2.87Å; R306-A308 VanDerWaalsContact C-N 3.29Å; R306-A308 PolarHBondContact O-N 3.3Å; R306-A309 WeakPolarHBondContact O-CA 3.33Å; R306-A309 WeakPolarHBondContact O-CB 3.44Å; R306-A309 PolarHBondContact O-N 2.69Å; R306-E310 WeakPolarHBondContact CG-OE1 3.46Å; R306-E310 IonicContact CZ-OE1 3.12Å; R306-E310 IonicContact NH1-OE1 2.68Å; R306-E310 PolarHBondContact NH1-OE1 2.8Å; R306-E310 IonicContact NH1-OE2 3.09Å; R306-E310 WeakPolarHBondContact O-CG 3.3Å; R306-E310 PolarHBondContact O-N 2.92Å
307L66.9Low68.7Low102 Ų10290.1 Ų90.153%0.53444%0.44SS..Hα-helixtrans-57.4-41.9174.6-73.1167.6000111.4D303 A309 E310 A311D303-L307 VanDerWaalsContact O-CB 3.3Å; D303-L307 WeakPolarHBondContact O-CB 3.49Å; D303-L307 WeakPolarHBondContact O-CG 3.46Å; D303-L307 PolarHBondContact O-N 2.65Å; L307-A309 VanDerWaalsContact C-N 3.3Å; L307-A309 PolarHBondContact O-N 3.09Å; L307-E310 PolarHBondContact O-N 3.38Å; L307-A311 WeakPolarHBondContact O-CB 3.47Å; L307-A311 PolarHBondContact O-N 3.5Å
308A71.1Confident67.7Low36 Ų3693.8 Ų93.830%0.29845%0.453SS..Hα-helixtrans-66.2-30.3175.800000112.8E304 R306 R312E304-A308 WeakPolarHBondContact O-CB 3.18Å; E304-A308 PolarHBondContact O-N 2.91Å; R306-A308 VanDerWaalsContact C-N 3.29Å; R306-A308 PolarHBondContact O-N 3.3Å; A308-R312 VanDerWaalsContact C-CZ 3.45Å; A308-R312 VanDerWaalsContact C-NH2 3.34Å; A308-R312 VanDerWaalsContact O-CG 3.3Å; A308-R312 WeakPolarHBondContact O-CG 3.4Å; A308-R312 PolarHBondContact O-N 2.82Å; A308-R312 PolarHBondContact O-NE 3.26Å; A308-R312 PolarHBondContact O-NH1 2.92Å; A308-R312 PolarHBondContact O-NH2 3.25Å
309A66.3Low67.5Low19 Ų1995 Ų9516%0.15746%0.458CS..Hα-helixtrans-76.2-38.4174.200000112.4M301 E305 R306 L307 R313M301-A309 HydrophobicContact CE-CB 4.16Å; E305-A309 WeakPolarHBondContact O-CB 3.22Å; E305-A309 PolarHBondContact O-N 2.89Å; R306-A309 WeakPolarHBondContact O-CA 3.33Å; R306-A309 WeakPolarHBondContact O-CB 3.44Å; R306-A309 PolarHBondContact O-N 2.69Å; L307-A309 VanDerWaalsContact C-N 3.3Å; L307-A309 PolarHBondContact O-N 3.09Å; A309-R313 WeakPolarHBondContact O-CG 3.39Å; A309-R313 PolarHBondContact O-N 2.77Å; A309-R313 VanDerWaalsContact O-N 3.1Å
310E64.3Low67.3Low81 Ų8197.6 Ų97.638%0.37947%0.472SS..Hα-helixtrans-63.3-47.6173.3-71.3165-168.300110.7R306 L307 R312 R313 E314R306-E310 WeakPolarHBondContact CG-OE1 3.46Å; R306-E310 IonicContact CZ-OE1 3.12Å; R306-E310 IonicContact NH1-OE1 2.68Å; R306-E310 PolarHBondContact NH1-OE1 2.8Å; R306-E310 IonicContact NH1-OE2 3.09Å; R306-E310 WeakPolarHBondContact O-CG 3.3Å; R306-E310 PolarHBondContact O-N 2.92Å; L307-E310 PolarHBondContact O-N 3.38Å; E310-R312 PolarHBondContact O-N 3.3Å; E310-R313 WeakPolarHBondContact O-CB 3.41Å; E310-R313 PolarHBondContact O-N 2.9Å; E310-R313 VanDerWaalsContact O-N 3.15Å; E310-E314 PolarHBondContact O-N 2.84Å
311A69Low66.8Low58 Ų5899.8 Ų99.848%0.47949%0.485SS..Hα-helixtrans-59.4-42.5175.800000113L307 R313 E314 V315L307-A311 WeakPolarHBondContact O-CB 3.47Å; L307-A311 PolarHBondContact O-N 3.5Å; A311-R313 PolarHBondContact O-N 3.22Å; A311-E314 PolarHBondContact O-N 3.34Å; A311-V315 WeakPolarHBondContact O-CG2 3.21Å; A311-V315 PolarHBondContact O-N 2.96Å; A311-V315 VanDerWaalsContact O-N 3.07Å
312R72.1Confident67.1Low158 Ų158102.2 Ų102.260%0.59650%0.495SS*.Hα-helixtrans-62.2-41174.6-77.4-178.8-66.2-98.20.4112.4A308 E310 V315 E316A308-R312 VanDerWaalsContact C-CZ 3.45Å; A308-R312 VanDerWaalsContact C-NH2 3.34Å; A308-R312 VanDerWaalsContact O-CG 3.3Å; A308-R312 WeakPolarHBondContact O-CG 3.4Å; A308-R312 PolarHBondContact O-N 2.82Å; A308-R312 PolarHBondContact O-NE 3.26Å; A308-R312 PolarHBondContact O-NH1 2.92Å; A308-R312 PolarHBondContact O-NH2 3.25Å; E310-R312 PolarHBondContact O-N 3.3Å; R312-V315 PolarHBondContact O-N 3.08Å; R312-E316 PolarHBondContact O-N 2.78Å; R312-E316 VanDerWaalsContact O-N 3.07Å
313R68.8Low67.3Low122 Ų122105.4 Ų105.446%0.4651%0.505SS..Hα-helixtrans-66.2-37.3176.1-74.2169.5175.9168.2-2.2112.1I205 A309 E310 A311 E316 R317I205-R313 PolarHBondContact O-NH2 3.34Å; A309-R313 WeakPolarHBondContact O-CG 3.39Å; A309-R313 PolarHBondContact O-N 2.77Å; A309-R313 VanDerWaalsContact O-N 3.1Å; E310-R313 WeakPolarHBondContact O-CB 3.41Å; E310-R313 PolarHBondContact O-N 2.9Å; E310-R313 VanDerWaalsContact O-N 3.15Å; A311-R313 PolarHBondContact O-N 3.22Å; R313-E316 PolarHBondContact O-N 3.11Å; R313-R317 VanDerWaalsContact O-CB 3.31Å; R313-R317 WeakPolarHBondContact O-CB 3.4Å; R313-R317 PolarHBondContact O-N 3.24Å
314E65.4Low67.7Low66 Ų66106.7 Ų106.731%0.30851%0.506SS..Hα-helixtrans-67.8-40.7177.4179.153.5-156.900111.9E310 A311 R317 Q318E310-E314 PolarHBondContact O-N 2.84Å; A311-E314 PolarHBondContact O-N 3.34Å; E314-R317 VanDerWaalsContact CD-NH2 3.3Å; E314-R317 WeakPolarHBondContact O-CB 3.28Å; E314-R317 PolarHBondContact O-N 2.71Å; E314-R317 IonicContact OE1-CZ 2.65Å; E314-R317 IonicContact OE1-NE 3.53Å; E314-R317 IonicContact OE1-NH2 3.57Å; E314-R317 PolarHBondContact OE1-NH2 2.85Å; E314-R317 IonicContact OE2-CZ 3.94Å; E314-R317 VanDerWaalsContact OE2-CZ 3.27Å; E314-R317 IonicContact OE2-NE 2.79Å; E314-R317 PolarHBondContact OE2-NE 2.81Å; E314-R317 IonicContact OE2-NH2 3.42Å; E314-R317 PolarHBondContact OE2-NH2 3.04Å; E314-Q318 VanDerWaalsContact O-CG 3.32Å; E314-Q318 WeakPolarHBondContact O-CG 3.27Å; E314-Q318 PolarHBondContact O-N 3.3Å; E314-Q318 WeakPolarHBondContact OE1-CG 3.36Å; E314-Q318 PolarHBondContact OE1-NE2 3.28Å
315V69.8Low68Low82 Ų82105.9 Ų105.950%0.49750%0.499SS..Hα-helixtrans-60.1-49.1171.8173.20000111.1A311 R312 R317 Q318 E319A311-V315 WeakPolarHBondContact O-CG2 3.21Å; A311-V315 PolarHBondContact O-N 2.96Å; A311-V315 VanDerWaalsContact O-N 3.07Å; R312-V315 PolarHBondContact O-N 3.08Å; V315-R317 VanDerWaalsContact C-N 3.29Å; V315-R317 PolarHBondContact O-N 2.84Å; V315-Q318 PolarHBondContact O-N 3.14Å; V315-Q318 VanDerWaalsContact O-N 3.11Å; V315-E319 PolarHBondContact O-N 3.47Å
316E66.5Low68.7Low137 Ų137104.2 Ų104.264%0.6450%0.496SS*.Hα-helixtrans-60-38177.4-173.1173.2-146.700112R312 R313 L320R312-E316 PolarHBondContact O-N 2.78Å; R312-E316 VanDerWaalsContact O-N 3.07Å; R313-E316 PolarHBondContact O-N 3.11Å; E316-L320 WeakPolarHBondContact O-CB 3.23Å; E316-L320 PolarHBondContact O-N 2.77Å
317R65.2Low69.1Low138 Ų138101.1 Ų101.152%0.52149%0.494SS..Hα-helixtrans-65.3-41.1173.9-168-174.273104.53.5112.1R313 E314 V315 M321R313-R317 VanDerWaalsContact O-CB 3.31Å; R313-R317 WeakPolarHBondContact O-CB 3.4Å; R313-R317 PolarHBondContact O-N 3.24Å; E314-R317 VanDerWaalsContact CD-NH2 3.3Å; E314-R317 WeakPolarHBondContact O-CB 3.28Å; E314-R317 PolarHBondContact O-N 2.71Å; E314-R317 IonicContact OE1-CZ 2.65Å; E314-R317 IonicContact OE1-NE 3.53Å; E314-R317 IonicContact OE1-NH2 3.57Å; E314-R317 PolarHBondContact OE1-NH2 2.85Å; E314-R317 IonicContact OE2-CZ 3.94Å; E314-R317 VanDerWaalsContact OE2-CZ 3.27Å; E314-R317 IonicContact OE2-NE 2.79Å; E314-R317 PolarHBondContact OE2-NE 2.81Å; E314-R317 IonicContact OE2-NH2 3.42Å; E314-R317 PolarHBondContact OE2-NH2 3.04Å; V315-R317 VanDerWaalsContact C-N 3.29Å; V315-R317 PolarHBondContact O-N 2.84Å; R317-M321 WeakPolarHBondContact O-CB 3.32Å; R317-M321 VanDerWaalsContact O-CG 3.23Å; R317-M321 WeakPolarHBondContact O-CG 3.35Å; R317-M321 PolarHBondContact O-N 2.91Å
318Q60.2Low69.4Low114 Ų114102.1 Ų102.153%0.53350%0.498SS..Hα-helixtrans-67.9-42.3177.6-72.6178.921.400111.9E314 V315 M321 H322E314-Q318 VanDerWaalsContact O-CG 3.32Å; E314-Q318 WeakPolarHBondContact O-CG 3.27Å; E314-Q318 PolarHBondContact O-N 3.3Å; E314-Q318 WeakPolarHBondContact OE1-CG 3.36Å; E314-Q318 PolarHBondContact OE1-NE2 3.28Å; V315-Q318 PolarHBondContact O-N 3.14Å; V315-Q318 VanDerWaalsContact O-N 3.11Å; Q318-M321 PolarHBondContact O-N 2.84Å; Q318-H322 WeakPolarHBondContact O-CB 3.37Å; Q318-H322 PolarHBondContact O-N 2.9Å
319E72.1Confident69.8Low135 Ų135106.1 Ų106.163%0.63151%0.51SS*.Hα-helixtrans-60.8-45.8173.4-71.3-168.9157.100111.7V315 M321 H322 Q323V315-E319 PolarHBondContact O-N 3.47Å; E319-M321 PolarHBondContact O-N 2.82Å; E319-H322 PolarHBondContact O-N 2.87Å; E319-Q323 WeakPolarHBondContact O-CB 3.11Å; E319-Q323 PolarHBondContact O-N 2.95Å
320L72.1Confident70.4Confident111 Ų111108.4 Ų108.458%0.58152%0.522SS*.Hα-helixtrans-62.1-41.5176.7-17567.4000112E316 Q323 K324E316-L320 WeakPolarHBondContact O-CB 3.23Å; E316-L320 PolarHBondContact O-N 2.77Å; L320-Q323 PolarHBondContact O-N 2.85Å; L320-K324 VanDerWaalsContact O-CB 3.28Å; L320-K324 WeakPolarHBondContact O-CB 3.15Å; L320-K324 PolarHBondContact O-N 2.62Å
321M64.9Low71Confident112 Ų112109.2 Ų109.255%0.55253%0.529SS*.Hα-helixtrans-66.7-39176.2-76.4-71.1-76.500112.2R317 Q318 E319 K324 K325R317-M321 WeakPolarHBondContact O-CB 3.32Å; R317-M321 VanDerWaalsContact O-CG 3.23Å; R317-M321 WeakPolarHBondContact O-CG 3.35Å; R317-M321 PolarHBondContact O-N 2.91Å; Q318-M321 PolarHBondContact O-N 2.84Å; E319-M321 PolarHBondContact O-N 2.82Å; M321-K324 PolarHBondContact O-N 3.14Å; M321-K325 WeakPolarHBondContact O-CB 3.17Å; M321-K325 PolarHBondContact O-N 3.4Å
322H71.8Confident71.9Confident129 Ų129112.7 Ų112.760%0.59753%0.534SS*.Hα-helixtrans-62.5-49.8173-177.493.8000111.1Q318 E319 K324 K325 V326Q318-H322 WeakPolarHBondContact O-CB 3.37Å; Q318-H322 PolarHBondContact O-N 2.9Å; E319-H322 PolarHBondContact O-N 2.87Å; H322-K324 VanDerWaalsContact C-N 3.32Å; H322-K324 PolarHBondContact O-N 3.12Å; H322-K325 WeakPolarHBondContact O-CB 3.44Å; H322-K325 PolarHBondContact O-N 3.04Å; H322-K325 VanDerWaalsContact O-N 3.11Å; H322-V326 WeakPolarHBondContact O-CG2 3.2Å; H322-V326 PolarHBondContact O-N 2.84Å
323Q73.3Confident72.3Confident139 Ų139109.2 Ų109.265%0.6553%0.526SS*.Hα-helixtrans-59.7-41.7178.2-169-177.689.100111.7E319 L320 K325 V326 A327E319-Q323 WeakPolarHBondContact O-CB 3.11Å; E319-Q323 PolarHBondContact O-N 2.95Å; L320-Q323 PolarHBondContact O-N 2.85Å; Q323-K325 PolarHBondContact O-N 2.96Å; Q323-V326 PolarHBondContact O-N 2.79Å; Q323-A327 WeakPolarHBondContact O-CB 3.47Å; Q323-A327 PolarHBondContact O-N 3.37Å
324K66.8Low72.9Confident130 Ų130106.8 Ų106.857%0.56552%0.521SS*.Hα-helixtrans-64.1-37.5174.9-172.4175.9-178.8179.80112.6L320 M321 H322 A327 M328L320-K324 VanDerWaalsContact O-CB 3.28Å; L320-K324 WeakPolarHBondContact O-CB 3.15Å; L320-K324 PolarHBondContact O-N 2.62Å; M321-K324 PolarHBondContact O-N 3.14Å; H322-K324 VanDerWaalsContact C-N 3.32Å; H322-K324 PolarHBondContact O-N 3.12Å; K324-A327 PolarHBondContact O-N 3.28Å; K324-M328 WeakPolarHBondContact O-CG 3.45Å; K324-M328 PolarHBondContact O-N 2.87Å
325K71.2Confident73.5Confident141 Ų141110.8 Ų110.861%0.61354%0.538SS*.Hα-helixtrans-64-49.5174.5-174.1180177.9-177.70111.3M321 H322 Q323 A327 M328 E329M321-K325 WeakPolarHBondContact O-CB 3.17Å; M321-K325 PolarHBondContact O-N 3.4Å; H322-K325 WeakPolarHBondContact O-CB 3.44Å; H322-K325 PolarHBondContact O-N 3.04Å; H322-K325 VanDerWaalsContact O-N 3.11Å; Q323-K325 PolarHBondContact O-N 2.96Å; K325-A327 VanDerWaalsContact C-N 3.29Å; K325-A327 PolarHBondContact O-N 2.88Å; K325-M328 PolarHBondContact O-N 2.9Å; K325-E329 PolarHBondContact O-N 3.37Å
326V79.3Confident74.2Confident68 Ų68110.5 Ų110.541%0.41253%0.531SS..Hα-helixtrans-59.1-40.4176.1174.60000111.2H322 Q323 E329 T330H322-V326 WeakPolarHBondContact O-CG2 3.2Å; H322-V326 PolarHBondContact O-N 2.84Å; Q323-V326 PolarHBondContact O-N 2.79Å; V326-E329 PolarHBondContact O-N 3.3Å; V326-T330 WeakPolarHBondContact O-CB 3.44Å; V326-T330 PolarHBondContact O-N 2.64Å; V326-T330 PolarHBondContact O-OG1 3.16Å
327A75.1Confident74.8Confident46 Ų46110.1 Ų110.138%0.3853%0.529SS..Hα-helixtrans-65.2-41.3176.100000112.9Q323 K324 K325 N331Q323-A327 WeakPolarHBondContact O-CB 3.47Å; Q323-A327 PolarHBondContact O-N 3.37Å; K324-A327 PolarHBondContact O-N 3.28Å; K325-A327 VanDerWaalsContact C-N 3.29Å; K325-A327 PolarHBondContact O-N 2.88Å; A327-N331 WeakPolarHBondContact O-CB 3.3Å; A327-N331 PolarHBondContact O-N 2.91Å; A327-N331 PolarHBondContact O-ND2 2.68Å
328M72.4Confident75.6Confident123 Ų123109.3 Ų109.361%0.60653%0.531SS*.Hα-helixtrans-65.9-41.8175.1-74.2-159.4-62.700112.5K324 K325 N331 K332K324-M328 WeakPolarHBondContact O-CG 3.45Å; K324-M328 PolarHBondContact O-N 2.87Å; K325-M328 PolarHBondContact O-N 2.9Å; M328-N331 PolarHBondContact O-N 3.17Å; M328-K332 PolarHBondContact O-N 3.21Å
329E78.5Confident76.7Confident119 Ų119109.3 Ų109.356%0.55653%0.531SS*.Hα-helixtrans-64.4-43.1177-172.5157-148.300111.8K325 V326 N331 K332 I333K325-E329 PolarHBondContact O-N 3.37Å; V326-E329 PolarHBondContact O-N 3.3Å; E329-N331 PolarHBondContact O-N 3.19Å; E329-K332 WeakPolarHBondContact O-CB 3.45Å; E329-K332 PolarHBondContact O-N 3.31Å; E329-I333 HydrophobicContact CG-CD1 4.37Å; E329-I333 WeakPolarHBondContact O-CG1 3.03Å; E329-I333 PolarHBondContact O-N 3.07Å
330T79.1Confident77.4Confident67 Ų67108.1 Ų108.141%0.41152%0.524SS..Hα-helixtrans-58.4-46.8172.4-55.10000111.7V326 K332 I333 I334V326-T330 WeakPolarHBondContact O-CB 3.44Å; V326-T330 PolarHBondContact O-N 2.64Å; V326-T330 PolarHBondContact O-OG1 3.16Å; T330-K332 VanDerWaalsContact C-N 3.32Å; T330-K332 PolarHBondContact O-N 3.06Å; T330-I333 PolarHBondContact O-N 2.72Å; T330-I334 HydrophobicContact CG2-CD1 4.04Å; T330-I334 WeakPolarHBondContact O-CG1 3.4Å; T330-I334 PolarHBondContact O-N 2.7Å
331N78.5Confident77.9Confident98 Ų98107.7 Ų107.752%0.52452%0.519SS..Hα-helixtrans-64.7-33.6178-78.8-41.4000113A327 M328 E329 K335A327-N331 WeakPolarHBondContact O-CB 3.3Å; A327-N331 PolarHBondContact O-N 2.91Å; A327-N331 PolarHBondContact O-ND2 2.68Å; M328-N331 PolarHBondContact O-N 3.17Å; E329-N331 PolarHBondContact O-N 3.19Å; N331-K335 PolarHBondContact O-N 3.49Å; N331-K335 VanDerWaalsContact O-N 3.11Å
332K85.9Confident78.9Confident132 Ų132110 Ų11057%0.57452%0.521SS*.Hα-helixtrans-64-48.7172.9-178.2-174.4171.8-170.10111M328 E329 T330 I334 K335 E336M328-K332 PolarHBondContact O-N 3.21Å; E329-K332 WeakPolarHBondContact O-CB 3.45Å; E329-K332 PolarHBondContact O-N 3.31Å; T330-K332 VanDerWaalsContact C-N 3.32Å; T330-K332 PolarHBondContact O-N 3.06Å; K332-I334 VanDerWaalsContact C-N 3.31Å; K332-I334 PolarHBondContact O-N 2.79Å; K332-K335 PolarHBondContact O-N 3.15Å; K332-E336 WeakPolarHBondContact CE-OE1 3.07Å; K332-E336 PolarHBondContact O-N 3.4Å
333I81.5Confident79.6Confident85 Ų85108.5 Ų108.544%0.43652%0.515SS..Hα-helixtrans-59.5-41.8178.5-66.8163.6000111.1E329 T330 E336 Q337E329-I333 HydrophobicContact CG-CD1 4.37Å; E329-I333 WeakPolarHBondContact O-CG1 3.03Å; E329-I333 PolarHBondContact O-N 3.07Å; T330-I333 PolarHBondContact O-N 2.72Å; I333-E336 PolarHBondContact O-N 3.24Å; I333-Q337 WeakPolarHBondContact O-CG 2.76Å; I333-Q337 PolarHBondContact O-N 3.17Å
334I81.1Confident80.4Confident70 Ų70110.2 Ų110.236%0.35952%0.516SS..Hα-helixtrans-61.9-44.9176.3-69.2166.6000111.4T330 K332 Q337 Q338T330-I334 HydrophobicContact CG2-CD1 4.04Å; T330-I334 WeakPolarHBondContact O-CG1 3.4Å; T330-I334 PolarHBondContact O-N 2.7Å; K332-I334 VanDerWaalsContact C-N 3.31Å; K332-I334 PolarHBondContact O-N 2.79Å; I334-Q337 PolarHBondContact O-N 3.32Å; I334-Q338 WeakPolarHBondContact O-CG 3.4Å; I334-Q338 PolarHBondContact O-N 2.92Å
335K79.1Confident81.1Confident151 Ų151110.1 Ų110.166%0.65752%0.515SS*.Hα-helixtrans-61.7-45.2175.8-77.7-174.9175.2-175.50112.2N331 K332 Q337 Q338 E339N331-K335 PolarHBondContact O-N 3.49Å; N331-K335 VanDerWaalsContact O-N 3.11Å; K332-K335 PolarHBondContact O-N 3.15Å; K335-Q337 VanDerWaalsContact C-N 3.32Å; K335-Q337 PolarHBondContact O-N 3.1Å; K335-Q338 PolarHBondContact O-N 3.07Å; K335-E339 PolarHBondContact O-N 3.36Å
336E84.4Confident81.9Confident76 Ų76108.3 Ų108.336%0.35551%0.51SS..Hα-helixtrans-62.6-36.6177-74.5-171.1-146.100112.9K332 I333 K340K332-E336 WeakPolarHBondContact CE-OE1 3.07Å; K332-E336 PolarHBondContact O-N 3.4Å; I333-E336 PolarHBondContact O-N 3.24Å; E336-K340 WeakPolarHBondContact O-CB 3.49Å; E336-K340 WeakPolarHBondContact O-CD 3.44Å; E336-K340 VanDerWaalsContact O-CG 3.25Å; E336-K340 WeakPolarHBondContact O-CG 3.39Å; E336-K340 PolarHBondContact O-N 2.98Å; E336-K340 IonicContact OE2-NZ 2.61Å; E336-K340 PolarHBondContact OE2-NZ 3.05Å
337Q78.1Confident82.3Confident128 Ų128110 Ų11060%0.59851%0.514SS*.Hα-helixtrans-65.8-47.2173.6-77.1-175.3-11.500111.6I333 I334 K335 E339 K340 E341I333-Q337 WeakPolarHBondContact O-CG 2.76Å; I333-Q337 PolarHBondContact O-N 3.17Å; I334-Q337 PolarHBondContact O-N 3.32Å; K335-Q337 VanDerWaalsContact C-N 3.32Å; K335-Q337 PolarHBondContact O-N 3.1Å; Q337-E339 VanDerWaalsContact C-N 3.33Å; Q337-E339 PolarHBondContact O-N 2.94Å; Q337-K340 PolarHBondContact O-N 3.26Å; Q337-E341 WeakPolarHBondContact O-CB 3.31Å; Q337-E341 PolarHBondContact O-N 2.82Å
338Q81.9Confident82.7Confident122 Ų122113 Ų11357%0.5752%0.522SS*.Hα-helixtrans-60.5-40.7177.9-73.3176.3-3.200112I334 K335 E341 R342I334-Q338 WeakPolarHBondContact O-CG 3.4Å; I334-Q338 PolarHBondContact O-N 2.92Å; K335-Q338 PolarHBondContact O-N 3.07Å; Q338-E341 PolarHBondContact O-N 3.38Å; Q338-R342 WeakPolarHBondContact O-CB 3.39Å; Q338-R342 PolarHBondContact O-N 3.27Å
339E84.6Confident83.3Confident114 Ų114111 Ų11153%0.53352%0.52SS..Hα-helixtrans-67-46176.7-176.9166.1-155.500112.2K335 Q337 E341 R342 Q343K335-E339 PolarHBondContact O-N 3.36Å; Q337-E339 VanDerWaalsContact C-N 3.33Å; Q337-E339 PolarHBondContact O-N 2.94Å; E339-E341 VanDerWaalsContact C-N 3.27Å; E339-E341 PolarHBondContact O-N 3.18Å; E339-R342 WeakPolarHBondContact O-CB 3.46Å; E339-R342 PolarHBondContact O-N 3.22Å; E339-R342 VanDerWaalsContact O-N 3.1Å; E339-Q343 WeakPolarHBondContact O-CG 3.42Å; E339-Q343 PolarHBondContact O-N 2.87Å
340K86.8Confident83.9Confident110 Ų110110.7 Ų110.748%0.47852%0.518SS..Hα-helixtrans-61.3-35175.3-73.5163.2-175.8153.10112E336 Q337 R344E336-K340 WeakPolarHBondContact O-CB 3.49Å; E336-K340 WeakPolarHBondContact O-CD 3.44Å; E336-K340 VanDerWaalsContact O-CG 3.25Å; E336-K340 WeakPolarHBondContact O-CG 3.39Å; E336-K340 PolarHBondContact O-N 2.98Å; E336-K340 IonicContact OE2-NZ 2.61Å; E336-K340 PolarHBondContact OE2-NZ 3.05Å; Q337-K340 PolarHBondContact O-N 3.26Å; K340-R344 WeakPolarHBondContact O-CG 3.4Å; K340-R344 PolarHBondContact O-N 3.17Å; K340-R344 VanDerWaalsContact O-N 3.1Å
341E82.7Confident84.3Confident102 Ų102113.3 Ų113.348%0.47752%0.524SS..Hα-helixtrans-69.6-40.1173.1-159.3-163.6135.100111.9Q337 Q338 E339 R344 K345Q337-E341 WeakPolarHBondContact O-CB 3.31Å; Q337-E341 PolarHBondContact O-N 2.82Å; Q338-E341 PolarHBondContact O-N 3.38Å; E339-E341 VanDerWaalsContact C-N 3.27Å; E339-E341 PolarHBondContact O-N 3.18Å; E341-R344 PolarHBondContact O-N 3.19Å; E341-K345 WeakPolarHBondContact O-CB 3.33Å; E341-K345 WeakPolarHBondContact O-CG 3.49Å; E341-K345 PolarHBondContact O-N 3.11Å; E341-K345 WeakPolarHBondContact OE1-CE 3.43Å; E341-K345 IonicContact OE1-NZ 3.16Å; E341-K345 PolarHBondContact OE1-NZ 2.99Å
342R85.3Confident84.8Confident159 Ų159111.8 Ų111.860%0.652%0.518SS*.Hα-helixtrans-65.5-39.2176.5-156-173.981.688.70.3112Q338 E339 K345 M346Q338-R342 WeakPolarHBondContact O-CB 3.39Å; Q338-R342 PolarHBondContact O-N 3.27Å; E339-R342 WeakPolarHBondContact O-CB 3.46Å; E339-R342 PolarHBondContact O-N 3.22Å; E339-R342 VanDerWaalsContact O-N 3.1Å; R342-K345 PolarHBondContact O-N 2.8Å; R342-M346 WeakPolarHBondContact O-CB 3.41Å; R342-M346 PolarHBondContact O-N 3.19Å
343Q86.7Confident84.8Confident99 Ų99107.8 Ų107.846%0.46351%0.51SS..Hα-helixtrans-61.4-49.8172.5-72.5172.3-1.500110.9E339 K345 M346 E347E339-Q343 WeakPolarHBondContact O-CG 3.42Å; E339-Q343 PolarHBondContact O-N 2.87Å; Q343-K345 VanDerWaalsContact C-N 3.34Å; Q343-K345 PolarHBondContact O-N 3.11Å; Q343-M346 WeakPolarHBondContact O-CA 3.43Å; Q343-M346 WeakPolarHBondContact O-CB 3.49Å; Q343-M346 PolarHBondContact O-N 3.43Å; Q343-E347 PolarHBondContact O-N 2.9Å
344R88.6Confident85.1Confident175 Ų175108.8 Ų108.866%0.6651%0.513SS*.Hα-helixtrans-58.5-41.9175.5-73.6174177.6-164.3-1.1112.9K340 E341 M346 E347 I348K340-R344 WeakPolarHBondContact O-CG 3.4Å; K340-R344 PolarHBondContact O-N 3.17Å; K340-R344 VanDerWaalsContact O-N 3.1Å; E341-R344 PolarHBondContact O-N 3.19Å; R344-M346 VanDerWaalsContact C-N 3.31Å; R344-M346 PolarHBondContact O-N 3.39Å; R344-E347 PolarHBondContact O-N 3.05Å; R344-I348 WeakPolarHBondContact O-CB 3.48Å; R344-I348 WeakPolarHBondContact O-CD1 3.4Å; R344-I348 VanDerWaalsContact O-CG1 3.24Å; R344-I348 WeakPolarHBondContact O-CG1 3.45Å; R344-I348 PolarHBondContact O-N 3.03Å
345K83.1Confident85.3Confident128 Ų128112 Ų11256%0.55753%0.526SS*.Hα-helixtrans-62.9-37174.5-80170.2166.21690112.2E341 R342 Q343 S349E341-K345 WeakPolarHBondContact O-CB 3.33Å; E341-K345 WeakPolarHBondContact O-CG 3.49Å; E341-K345 PolarHBondContact O-N 3.11Å; E341-K345 WeakPolarHBondContact OE1-CE 3.43Å; E341-K345 IonicContact OE1-NZ 3.16Å; E341-K345 PolarHBondContact OE1-NZ 2.99Å; R342-K345 PolarHBondContact O-N 2.8Å; Q343-K345 VanDerWaalsContact C-N 3.34Å; Q343-K345 PolarHBondContact O-N 3.11Å; K345-S349 WeakPolarHBondContact O-CB 3.49Å; K345-S349 PolarHBondContact O-N 3.07Å
346M86.9Confident85.5Confident103 Ų103111.1 Ų111.151%0.50752%0.524SS..Hα-helixtrans-68.1-46.2175-170.5175.2-70.500112.1R342 Q343 R344 I348 S349 Q350R342-M346 WeakPolarHBondContact O-CB 3.41Å; R342-M346 PolarHBondContact O-N 3.19Å; Q343-M346 WeakPolarHBondContact O-CA 3.43Å; Q343-M346 WeakPolarHBondContact O-CB 3.49Å; Q343-M346 PolarHBondContact O-N 3.43Å; R344-M346 VanDerWaalsContact C-N 3.31Å; R344-M346 PolarHBondContact O-N 3.39Å; M346-I348 VanDerWaalsContact C-N 3.33Å; M346-I348 PolarHBondContact O-N 3.43Å; M346-S349 PolarHBondContact O-N 3.44Å; M346-Q350 WeakPolarHBondContact O-CB 3.39Å; M346-Q350 PolarHBondContact O-N 3.15Å
347E87.4Confident85.7Confident104 Ų104113.9 Ų113.949%0.48654%0.537SS..Hα-helixtrans-58.9-41.7174.7-72.5-175.8-163.300112.7Q343 R344 Q350 K351Q343-E347 PolarHBondContact O-N 2.9Å; R344-E347 PolarHBondContact O-N 3.05Å; E347-Q350 PolarHBondContact O-N 2.89Å; E347-K351 WeakPolarHBondContact O-CG 3.2Å; E347-K351 PolarHBondContact O-N 2.86Å; E347-K351 IonicContact OE2-NZ 3.06Å
348I84Confident86Confident107 Ų107116.6 Ų116.655%0.54954%0.542SS..Hα-helixtrans-65.2-46.2176.8-69.1164.4000109.8R344 M346 Q350 K351 V352R344-I348 WeakPolarHBondContact O-CB 3.48Å; R344-I348 WeakPolarHBondContact O-CD1 3.4Å; R344-I348 VanDerWaalsContact O-CG1 3.24Å; R344-I348 WeakPolarHBondContact O-CG1 3.45Å; R344-I348 PolarHBondContact O-N 3.03Å; M346-I348 VanDerWaalsContact C-N 3.33Å; M346-I348 PolarHBondContact O-N 3.43Å; I348-Q350 VanDerWaalsContact C-N 3.3Å; I348-Q350 PolarHBondContact O-N 3.47Å; I348-K351 PolarHBondContact O-N 2.98Å; I348-V352 WeakPolarHBondContact O-CG2 3.37Å; I348-V352 PolarHBondContact O-N 3.21Å
349S86.1Confident86Confident81 Ų81118.1 Ų118.157%0.56654%0.544SS*.Hα-helixtrans-62.6-35.8177.6-167.50000112.8K345 M346 A353K345-S349 WeakPolarHBondContact O-CB 3.49Å; K345-S349 PolarHBondContact O-N 3.07Å; M346-S349 PolarHBondContact O-N 3.44Å; S349-A353 WeakPolarHBondContact O-CB 3.45Å; S349-A353 PolarHBondContact O-N 2.63Å
350Q90.1Very high86.1Confident113 Ų113119.4 Ų119.453%0.52855%0.548SS..Hα-helixtrans-67.5-47.6175.4180179.5-17.600111M346 E347 I348 V352 A353 E354M346-Q350 WeakPolarHBondContact O-CB 3.39Å; M346-Q350 PolarHBondContact O-N 3.15Å; E347-Q350 PolarHBondContact O-N 2.89Å; I348-Q350 VanDerWaalsContact C-N 3.3Å; I348-Q350 PolarHBondContact O-N 3.47Å; Q350-V352 VanDerWaalsContact C-N 3.3Å; Q350-V352 PolarHBondContact O-N 3.31Å; Q350-A353 PolarHBondContact O-N 3.46Å; Q350-A353 VanDerWaalsContact O-N 3.11Å; Q350-E354 HydrophobicContact CG-CG 4.43Å; Q350-E354 WeakPolarHBondContact CG-OE1 3.35Å; Q350-E354 PolarHBondContact NE2-OE1 3.29Å; Q350-E354 WeakPolarHBondContact O-CG 3.34Å; Q350-E354 PolarHBondContact O-N 3.47Å
351K87.4Confident86.1Confident123 Ų123116.7 Ų116.754%0.53554%0.543SS..Hα-helixtrans-61.6-38.1178.2-74.5165.7-178159.80112.4E347 I348 E354 E355E347-K351 WeakPolarHBondContact O-CG 3.2Å; E347-K351 PolarHBondContact O-N 2.86Å; E347-K351 IonicContact OE2-NZ 3.06Å; I348-K351 PolarHBondContact O-N 2.98Å; K351-E354 PolarHBondContact O-N 2.99Å; K351-E355 WeakPolarHBondContact O-CB 3.48Å; K351-E355 PolarHBondContact O-N 2.86Å
352V88.4Confident86.2Confident66 Ų66117 Ų11740%0.454%0.544SS..Hα-helixtrans-63.9-44172.7171.10000111I348 Q350 E355 E356I348-V352 WeakPolarHBondContact O-CG2 3.37Å; I348-V352 PolarHBondContact O-N 3.21Å; Q350-V352 VanDerWaalsContact C-N 3.3Å; Q350-V352 PolarHBondContact O-N 3.31Å; V352-E355 PolarHBondContact O-N 3.04Å; V352-E356 HydrophobicContact CG1-CG 4.41Å; V352-E356 WeakPolarHBondContact O-CB 3.49Å; V352-E356 WeakPolarHBondContact O-CG 3.2Å; V352-E356 PolarHBondContact O-N 3.16Å
353A87.6Confident85.8Confident48 Ų48113.5 Ų113.540%0.39754%0.535SS..Hα-helixtrans-64.5-40.7176.700000112.9S349 Q350 E355 E356 E357S349-A353 WeakPolarHBondContact O-CB 3.45Å; S349-A353 PolarHBondContact O-N 2.63Å; Q350-A353 PolarHBondContact O-N 3.46Å; Q350-A353 VanDerWaalsContact O-N 3.11Å; A353-E355 VanDerWaalsContact C-N 3.31Å; A353-E355 PolarHBondContact O-N 3.22Å; A353-E356 PolarHBondContact O-N 2.66Å; A353-E357 PolarHBondContact O-N 2.9Å
354E87.5Confident85.8Confident106 Ų106114.9 Ų114.950%0.49554%0.542SS..Hα-helixtrans-64.4-34.4174.5-71.3172-17100112.3Q350 K351 R358Q350-E354 HydrophobicContact CG-CG 4.43Å; Q350-E354 WeakPolarHBondContact CG-OE1 3.35Å; Q350-E354 PolarHBondContact NE2-OE1 3.29Å; Q350-E354 WeakPolarHBondContact O-CG 3.34Å; Q350-E354 PolarHBondContact O-N 3.47Å; K351-E354 PolarHBondContact O-N 2.99Å; E354-R358 WeakPolarHBondContact O-CB 3.46Å; E354-R358 PolarHBondContact O-N 3.11Å; E354-R358 VanDerWaalsContact O-N 3.08Å
355E84.2Confident85.7Confident136 Ų136113.7 Ų113.764%0.63654%0.541SS*.Hα-helixtrans-74.4-39174.5-170.8165-14700112K351 V352 A353 R358 Y359K351-E355 WeakPolarHBondContact O-CB 3.48Å; K351-E355 PolarHBondContact O-N 2.86Å; V352-E355 PolarHBondContact O-N 3.04Å; A353-E355 VanDerWaalsContact C-N 3.31Å; A353-E355 PolarHBondContact O-N 3.22Å; E355-R358 PolarHBondContact O-N 3.13Å; E355-Y359 WeakPolarHBondContact O-CB 3.3Å; E355-Y359 PolarHBondContact O-N 2.67Å
356E83.3Confident85.5Confident133 Ų133111.3 Ų111.362%0.62153%0.534SS*.Hα-helixtrans-65-42.4172.7-76.6-176.7174.500112.2V352 A353 Y359 K360V352-E356 HydrophobicContact CG1-CG 4.41Å; V352-E356 WeakPolarHBondContact O-CB 3.49Å; V352-E356 WeakPolarHBondContact O-CG 3.2Å; V352-E356 PolarHBondContact O-N 3.16Å; A353-E356 PolarHBondContact O-N 2.66Å; E356-Y359 PolarHBondContact O-N 2.67Å; E356-K360 VanDerWaalsContact O-CB 3.23Å; E356-K360 WeakPolarHBondContact O-CB 3.46Å; E356-K360 PolarHBondContact O-N 2.85Å
357E88.6Confident85.3Confident134 Ų134111 Ų11163%0.62653%0.531SS*.Hα-helixtrans-65.3-39.1173.9-75.6-156.5144.800112.1A353 S361A353-E357 PolarHBondContact O-N 2.9Å; E357-S361 WeakPolarHBondContact O-CB 3.48Å; E357-S361 PolarHBondContact O-N 3.05Å; E357-S361 PolarHBondContact O-OG 3.29Å
358R85.7Confident85Confident186 Ų186108.8 Ų108.870%0.70253%0.531SS*.Hα-helixtrans-60.1-50.6171.8177.6-174.2-68.8-138.20.2110.9E354 E355 K360 S361 E362E354-R358 WeakPolarHBondContact O-CB 3.46Å; E354-R358 PolarHBondContact O-N 3.11Å; E354-R358 VanDerWaalsContact O-N 3.08Å; E355-R358 PolarHBondContact O-N 3.13Å; R358-K360 VanDerWaalsContact C-N 3.33Å; R358-K360 PolarHBondContact O-N 3.29Å; R358-S361 CarbonylContact O-C 3.55Å; R358-S361 WeakPolarHBondContact O-CB 3.47Å; R358-S361 PolarHBondContact O-N 3.42Å; R358-S361 VanDerWaalsContact O-N 3.15Å; R358-E362 PolarHBondContact O-N 3.34Å
359Y82Confident84.9Confident153 Ų153106.6 Ų106.660%0.653%0.529SS*.Hα-helixtrans-63.2-40.4-178.2-172.7-104.5000111.6E355 E356 E362 M363E355-Y359 WeakPolarHBondContact O-CB 3.3Å; E355-Y359 PolarHBondContact O-N 2.67Å; E356-Y359 PolarHBondContact O-N 2.67Å; Y359-E362 PolarHBondContact O-N 3.21Å; Y359-M363 HydrophobicContact CD1-CG 4.12Å; Y359-M363 HydrophobicContact CE1-CG 3.78Å; Y359-M363 HydrophobicContact CE1-SD 4.35Å; Y359-M363 WeakPolarHBondContact O-CB 3.43Å; Y359-M363 WeakPolarHBondContact O-CG 3.39Å; Y359-M363 PolarHBondContact O-N 2.79Å
360K85.7Confident84.3Confident142 Ų142108.3 Ų108.362%0.61753%0.528SS*.Hα-helixtrans-60.9-44171.8-176.8-175.8174-168.60112.2E356 R358 E362 M363 E364E356-K360 VanDerWaalsContact O-CB 3.23Å; E356-K360 WeakPolarHBondContact O-CB 3.46Å; E356-K360 PolarHBondContact O-N 2.85Å; R358-K360 VanDerWaalsContact C-N 3.33Å; R358-K360 PolarHBondContact O-N 3.29Å; K360-E362 PolarHBondContact O-N 2.87Å; K360-M363 PolarHBondContact O-N 3.43Å; K360-E364 WeakPolarHBondContact O-CB 3.4Å; K360-E364 PolarHBondContact O-N 3.16Å
361S86.8Confident83.8Confident53 Ų53108.8 Ų108.837%0.37153%0.528SS..Hα-helixtrans-67.6-23.2177-55.50000113.4E357 R358 K365E357-S361 WeakPolarHBondContact O-CB 3.48Å; E357-S361 PolarHBondContact O-N 3.05Å; E357-S361 PolarHBondContact O-OG 3.29Å; R358-S361 CarbonylContact O-C 3.55Å; R358-S361 WeakPolarHBondContact O-CB 3.47Å; R358-S361 PolarHBondContact O-N 3.42Å; R358-S361 VanDerWaalsContact O-N 3.15Å; S361-K365 VanDerWaalsContact O-CD 3.31Å; S361-K365 WeakPolarHBondContact O-CD 3.31Å; S361-K365 WeakPolarHBondContact O-CE 3.43Å; S361-K365 VanDerWaalsContact O-CG 3.28Å; S361-K365 WeakPolarHBondContact O-CG 3.31Å
362E84.8Confident83.4Confident108 Ų108108.5 Ų108.551%0.50553%0.527SS..Hα-helixtrans-84-43.5174.4-171.1159.3-149.100110.9R358 Y359 K360 E364 K365 I366R358-E362 PolarHBondContact O-N 3.34Å; Y359-E362 PolarHBondContact O-N 3.21Å; K360-E362 PolarHBondContact O-N 2.87Å; E362-E364 VanDerWaalsContact C-N 3.35Å; E362-E364 PolarHBondContact O-N 3.14Å; E362-K365 WeakPolarHBondContact O-CB 3.31Å; E362-K365 PolarHBondContact O-N 2.91Å; E362-I366 HydrophobicContact CG-CD1 4.31Å; E362-I366 WeakPolarHBondContact O-CG1 3.39Å; E362-I366 PolarHBondContact O-N 2.81Å
363M78.2Confident82.7Confident86 Ų86110.7 Ų110.742%0.42453%0.532SS..Hα-helixtrans-57.1-42.3169.9-78.5-63.9-54.400112.6Y359 K360 K365 I366 E367Y359-M363 HydrophobicContact CD1-CG 4.12Å; Y359-M363 HydrophobicContact CE1-CG 3.78Å; Y359-M363 HydrophobicContact CE1-SD 4.35Å; Y359-M363 WeakPolarHBondContact O-CB 3.43Å; Y359-M363 WeakPolarHBondContact O-CG 3.39Å; Y359-M363 PolarHBondContact O-N 2.79Å; K360-M363 PolarHBondContact O-N 3.43Å; M363-K365 VanDerWaalsContact C-N 3.33Å; M363-K365 PolarHBondContact O-N 2.82Å; M363-I366 PolarHBondContact O-N 3.08Å; M363-E367 WeakPolarHBondContact O-CB 3.27Å; M363-E367 PolarHBondContact O-N 3.02Å
364E85.1Confident81.7Confident128 Ų128112.9 Ų112.960%0.59854%0.538SS*.Hα-helixtrans-65.7-34.8177.1-175.2173.1-17100112.1K360 E362 A368K360-E364 WeakPolarHBondContact O-CB 3.4Å; K360-E364 PolarHBondContact O-N 3.16Å; E362-E364 VanDerWaalsContact C-N 3.35Å; E362-E364 PolarHBondContact O-N 3.14Å; E364-A368 WeakPolarHBondContact O-CB 3.31Å; E364-A368 PolarHBondContact O-N 3.42Å
365K86.4Confident81Confident149 Ų149113.5 Ų113.565%0.64854%0.535SS*.Hα-helixtrans-69.7-37.4172.4-71.3166.2-170.8165.80112.1S361 E362 M363 A369S361-K365 VanDerWaalsContact O-CD 3.31Å; S361-K365 WeakPolarHBondContact O-CD 3.31Å; S361-K365 WeakPolarHBondContact O-CE 3.43Å; S361-K365 VanDerWaalsContact O-CG 3.28Å; S361-K365 WeakPolarHBondContact O-CG 3.31Å; E362-K365 WeakPolarHBondContact O-CB 3.31Å; E362-K365 PolarHBondContact O-N 2.91Å; M363-K365 VanDerWaalsContact C-N 3.33Å; M363-K365 PolarHBondContact O-N 2.82Å; K365-A369 VanDerWaalsContact O-CB 3.27Å; K365-A369 WeakPolarHBondContact O-CB 3.18Å; K365-A369 PolarHBondContact O-N 2.83Å
366I78.6Confident80.3Confident78 Ų78109.6 Ų109.640%0.452%0.519SS..Hα-helixtrans-66.2-48.4174.6-67.6163.7000109.5E362 M363 A368 A369 E370E362-I366 HydrophobicContact CG-CD1 4.31Å; E362-I366 WeakPolarHBondContact O-CG1 3.39Å; E362-I366 PolarHBondContact O-N 2.81Å; M363-I366 PolarHBondContact O-N 3.08Å; I366-A368 VanDerWaalsContact C-N 3.32Å; I366-A368 PolarHBondContact O-N 3.33Å; I366-A369 CarbonylContact O-C 3.54Å; I366-A369 PolarHBondContact O-N 3.2Å; I366-A369 VanDerWaalsContact O-N 3.09Å; I366-E370 HydrophobicContact CG2-CG 4.35Å; I366-E370 WeakPolarHBondContact O-CB 3.37Å; I366-E370 WeakPolarHBondContact O-CG 3.47Å; I366-E370 PolarHBondContact O-N 3.42Å
367E83.1Confident79.2Confident96 Ų96109.3 Ų109.345%0.44951%0.512SS..Hα-helixtrans-63.3-35.5177.3-169.7-174.717600112M363 K371M363-E367 WeakPolarHBondContact O-CB 3.27Å; M363-E367 PolarHBondContact O-N 3.02Å; E367-K371 VanDerWaalsContact CD-NZ 3.29Å; E367-K371 HydrophobicContact CG-CD 4.27Å; E367-K371 VanDerWaalsContact O-CB 3.3Å; E367-K371 WeakPolarHBondContact O-CB 3.42Å; E367-K371 VanDerWaalsContact O-CG 3.27Å; E367-K371 WeakPolarHBondContact O-CG 3.18Å; E367-K371 PolarHBondContact O-N 2.66Å; E367-K371 WeakPolarHBondContact OE1-CE 3.31Å; E367-K371 IonicContact OE1-NZ 3.65Å; E367-K371 PolarHBondContact OE1-NZ 2.95Å
368A82.6Confident77.7Confident59 Ų59109.9 Ų109.949%0.48852%0.515SS..Hα-helixtrans-69.8-35.8172.800000112.6E364 I366 K372E364-A368 WeakPolarHBondContact O-CB 3.31Å; E364-A368 PolarHBondContact O-N 3.42Å; I366-A368 VanDerWaalsContact C-N 3.32Å; I366-A368 PolarHBondContact O-N 3.33Å; A368-K372 WeakPolarHBondContact O-CB 3.47Å; A368-K372 PolarHBondContact O-N 3.42Å
369A80.1Confident76.5Confident60 Ų60107.5 Ų107.550%0.49651%0.512SS..Hα-helixtrans-71.4-39.817400000111.9K365 I366 K372 H373K365-A369 VanDerWaalsContact O-CB 3.27Å; K365-A369 WeakPolarHBondContact O-CB 3.18Å; K365-A369 PolarHBondContact O-N 2.83Å; I366-A369 CarbonylContact O-C 3.54Å; I366-A369 PolarHBondContact O-N 3.2Å; I366-A369 VanDerWaalsContact O-N 3.09Å; A369-K372 PolarHBondContact O-N 3.13Å; A369-H373 VanDerWaalsContact O-CB 3.26Å; A369-H373 WeakPolarHBondContact O-CB 3.25Å; A369-H373 PolarHBondContact O-N 2.61Å
370E74.3Confident75.1Confident117 Ų117106.3 Ų106.355%0.54752%0.516SS..Hα-helixtrans-64.2-50.5172.4-75-175.7153.100110.4I366 K372 H373 D374I366-E370 HydrophobicContact CG2-CG 4.35Å; I366-E370 WeakPolarHBondContact O-CB 3.37Å; I366-E370 WeakPolarHBondContact O-CG 3.47Å; I366-E370 PolarHBondContact O-N 3.42Å; E370-K372 PolarHBondContact O-N 2.89Å; E370-H373 CarbonylContact O-C 3.52Å; E370-H373 PolarHBondContact O-N 2.87Å; E370-H373 VanDerWaalsContact O-N 3.08Å; E370-D374 WeakPolarHBondContact O-CB 3.38Å; E370-D374 PolarHBondContact O-N 2.82Å
371K79.2Confident73.6Confident123 Ų123108.1 Ų108.154%0.53552%0.519SS..Hα-helixtrans-61.6-28.1175.2-75.3172.2-174.4164.30113.8E367 R375E367-K371 VanDerWaalsContact CD-NZ 3.29Å; E367-K371 HydrophobicContact CG-CD 4.27Å; E367-K371 VanDerWaalsContact O-CB 3.3Å; E367-K371 WeakPolarHBondContact O-CB 3.42Å; E367-K371 VanDerWaalsContact O-CG 3.27Å; E367-K371 WeakPolarHBondContact O-CG 3.18Å; E367-K371 PolarHBondContact O-N 2.66Å; E367-K371 WeakPolarHBondContact OE1-CE 3.31Å; E367-K371 IonicContact OE1-NZ 3.65Å; E367-K371 PolarHBondContact OE1-NZ 2.95Å; K371-R375 WeakPolarHBondContact O-CB 3.4Å; K371-R375 PolarHBondContact O-N 2.86Å
372K80Confident71.5Confident117 Ų117108 Ų10851%0.50953%0.526SS..Hα-helixtrans-73.4-50170.8-165.1-157.2171.6-113.40110.4A368 A369 E370 D374 R375 D376A368-K372 WeakPolarHBondContact O-CB 3.47Å; A368-K372 PolarHBondContact O-N 3.42Å; A369-K372 PolarHBondContact O-N 3.13Å; E370-K372 PolarHBondContact O-N 2.89Å; K372-D374 PolarHBondContact O-N 3.45Å; K372-R375 WeakPolarHBondContact O-CB 3.21Å; K372-R375 PolarHBondContact O-N 3Å; K372-D376 VanDerWaalsContact CE-OD2 3.3Å; K372-D376 WeakPolarHBondContact CE-OD2 3.41Å; K372-D376 IonicContact NZ-OD2 2.68Å; K372-D376 PolarHBondContact NZ-OD2 3.44Å; K372-D376 WeakPolarHBondContact O-CB 3.35Å; K372-D376 PolarHBondContact O-N 2.63Å
373H72.5Confident69.3Low112 Ų112108.1 Ų108.152%0.51954%0.539SS..Hα-helixtrans-58.4-46.3178.3176.8-83.8000111.6A369 E370 R375 D376 W377A369-H373 VanDerWaalsContact O-CB 3.26Å; A369-H373 WeakPolarHBondContact O-CB 3.25Å; A369-H373 PolarHBondContact O-N 2.61Å; E370-H373 CarbonylContact O-C 3.52Å; E370-H373 PolarHBondContact O-N 2.87Å; E370-H373 VanDerWaalsContact O-N 3.08Å; H373-R375 VanDerWaalsContact C-N 3.35Å; H373-R375 PolarHBondContact O-N 2.9Å; H373-D376 CarbonylContact O-C 3.5Å; H373-D376 PolarHBondContact O-N 2.87Å; H373-W377 AromaticContact CE1-CD1 3.83Å; H373-W377 WeakPolarHBondContact O-CB 3.38Å; H373-W377 PolarHBondContact O-N 3.07Å
374D67.9Low67.2Low95 Ų95112.4 Ų112.451%0.50856%0.555SS.*Hα-helixtrans-66.6-33.6178.2-75.62.4000112.1E370 K372 W377 E378E370-D374 WeakPolarHBondContact O-CB 3.38Å; E370-D374 PolarHBondContact O-N 2.82Å; K372-D374 PolarHBondContact O-N 3.45Å; D374-W377 PolarHBondContact O-N 3.11Å; D374-E378 WeakPolarHBondContact O-CB 3.23Å; D374-E378 WeakPolarHBondContact O-CG 3.31Å; D374-E378 PolarHBondContact O-N 3.49Å
375R71.3Confident64.9Low118 Ų118113.1 Ų113.145%0.44556%0.563SS.*Hα-helixtrans-64.8-52.4167.5-99-170.753.5-91.5-22.6111.6K371 K372 H373 W377 E378 E379K371-R375 WeakPolarHBondContact O-CB 3.4Å; K371-R375 PolarHBondContact O-N 2.86Å; K372-R375 WeakPolarHBondContact O-CB 3.21Å; K372-R375 PolarHBondContact O-N 3Å; H373-R375 VanDerWaalsContact C-N 3.35Å; H373-R375 PolarHBondContact O-N 2.9Å; R375-W377 PolarHBondContact O-N 3.34Å; R375-E378 PolarHBondContact O-N 3.31Å; R375-E379 IonicContact CZ-OE1 2.71Å; R375-E379 IonicContact NE-OE1 3.47Å; R375-E379 PolarHBondContact NE-OE1 3.31Å; R375-E379 IonicContact NH2-OE1 3.84Å; R375-E379 PolarHBondContact NH2-OE1 3.21Å; R375-E379 IonicContact NH2-OE2 2.69Å; R375-E379 WeakPolarHBondContact O-CB 3.35Å; R375-E379 VanDerWaalsContact O-CG 3.29Å; R375-E379 WeakPolarHBondContact O-CG 3.36Å; R375-E379 PolarHBondContact O-N 3.34Å
376D70.7Confident62.5Low55 Ų55117.1 Ų117.129%0.29457%0.574SS.*Hα-helixtrans-60.3-27.9179.7-59.8-6.8000110K372 H373 D380K372-D376 VanDerWaalsContact CE-OD2 3.3Å; K372-D376 WeakPolarHBondContact CE-OD2 3.41Å; K372-D376 IonicContact NZ-OD2 2.68Å; K372-D376 PolarHBondContact NZ-OD2 3.44Å; K372-D376 WeakPolarHBondContact O-CB 3.35Å; K372-D376 PolarHBondContact O-N 2.63Å; H373-D376 CarbonylContact O-C 3.5Å; H373-D376 PolarHBondContact O-N 2.87Å; D376-D380 WeakPolarHBondContact O-CB 3.35Å; D376-D380 PolarHBondContact O-N 2.92Å; D376-D380 VanDerWaalsContact O-N 3.13Å
377W59.3Low61.1Low126 Ų126118 Ų11848%0.47759%0.585SS.*Hα-helixtrans-88.4-29.4177.4-158.4100.2000114H373 D374 R375 W381 G382H373-W377 AromaticContact CE1-CD1 3.83Å; H373-W377 WeakPolarHBondContact O-CB 3.38Å; H373-W377 PolarHBondContact O-N 3.07Å; D374-W377 PolarHBondContact O-N 3.11Å; R375-W377 PolarHBondContact O-N 3.34Å; W377-W381 HydrophobicContact CD2-CB 3.92Å; W377-W381 HydrophobicContact CE3-CB 4.07Å; W377-W381 HydrophobicContact CG-CB 4.5Å; W377-W381 HydrophobicContact CH2-CB 4.13Å; W377-W381 HydrophobicContact CZ2-CB 3.99Å; W377-W381 HydrophobicContact CZ3-CB 4.18Å; W377-W381 WeakPolarHBondContact CZ3-O 3.4Å; W377-W381 CarbonylContact O-C 3.27Å; W377-W381 VanDerWaalsContact O-C 3.27Å; W377-W381 VanDerWaalsContact O-CA 3.25Å; W377-W381 WeakPolarHBondContact O-CA 3.41Å; W377-W381 PolarHBondContact O-N 2.85Å; W377-G382 PolarHBondContact O-N 3.49Å
378E58.2Low58.4Low147 Ų147122.9 Ų122.969%0.68761%0.605SS**Hα-helixtrans-67.7-38.9165.7-82.5-167.114400110.5D374 R375 G382D374-E378 WeakPolarHBondContact O-CB 3.23Å; D374-E378 WeakPolarHBondContact O-CG 3.31Å; D374-E378 PolarHBondContact O-N 3.49Å; R375-E378 PolarHBondContact O-N 3.31Å; E378-G382 WeakPolarHBondContact O-CA 3.5Å; E378-G382 PolarHBondContact O-N 2.86Å
379E60.1Low56.1Low135 Ų135125.5 Ų125.563%0.63162%0.619SS**Hα-helixtrans-65.3-42.1176.1-72.9173.5-144.200111.9R375R375-E379 IonicContact CZ-OE1 2.71Å; R375-E379 IonicContact NE-OE1 3.47Å; R375-E379 PolarHBondContact NE-OE1 3.31Å; R375-E379 IonicContact NH2-OE1 3.84Å; R375-E379 PolarHBondContact NH2-OE1 3.21Å; R375-E379 IonicContact NH2-OE2 2.69Å; R375-E379 WeakPolarHBondContact O-CB 3.35Å; R375-E379 VanDerWaalsContact O-CG 3.29Å; R375-E379 WeakPolarHBondContact O-CG 3.36Å; R375-E379 PolarHBondContact O-N 3.34Å
380D53.5Low54.6Low129 Ų129128.2 Ų128.269%0.6963%0.632SS**Hα-helixtrans-88.5-36.6178.6-85.9-10.4000115.1D376D376-D380 WeakPolarHBondContact O-CB 3.35Å; D376-D380 PolarHBondContact O-N 2.92Å; D376-D380 VanDerWaalsContact O-N 3.13Å
381W52.3Low52.5Low179 Ų179134.2 Ų134.268%0.67865%0.65SS**Hα-helixtrans-140.823.9-163.2-69103.7000115.1W377 S383W377-W381 HydrophobicContact CD2-CB 3.92Å; W377-W381 HydrophobicContact CE3-CB 4.07Å; W377-W381 HydrophobicContact CG-CB 4.5Å; W377-W381 HydrophobicContact CH2-CB 4.13Å; W377-W381 HydrophobicContact CZ2-CB 3.99Å; W377-W381 HydrophobicContact CZ3-CB 4.18Å; W377-W381 WeakPolarHBondContact CZ3-O 3.4Å; W377-W381 CarbonylContact O-C 3.27Å; W377-W381 VanDerWaalsContact O-C 3.27Å; W377-W381 VanDerWaalsContact O-CA 3.25Å; W377-W381 WeakPolarHBondContact O-CA 3.41Å; W377-W381 PolarHBondContact O-N 2.85Å; W381-S383 PolarHBondContact O-N 3.16Å
382G43.9Very low50.2Low51 Ų51132.5 Ų132.553%0.52666%0.659SS.*  trans-61.853-177.700000117.8W377 E378W377-G382 PolarHBondContact O-N 3.49Å; E378-G382 WeakPolarHBondContact O-CA 3.5Å; E378-G382 PolarHBondContact O-N 2.86Å
383S37.7Very low48Very low111 Ų111131.7 Ų131.778%0.77667%0.668SS**  trans-161.698.3169.3-81.60000112.3W381W381-S383 PolarHBondContact O-N 3.16Å
384K35.4Very low46.1Very low175 Ų175135.4 Ų135.476%0.76168%0.682SS**  trans126.3121135-165.2168.4-176.1175.40118.7
385D36.7Very low44.2Very low144 Ų144136 Ų13677%0.7769%0.694SS**  trans61.4130.8153.6-62.7-36.4000123.1
386R35.4Very low43.1Very low233 Ų233135.5 Ų135.588%0.87971%0.706SS**  trans-82.7162.8172.9-160.1166.6175.6-106.20.6109.3
387P48.4Very low41Very low95 Ų95138 Ų13862%0.61773%0.728SS**  cis-167.9-173.443.848.6-25.3000122.8
388K27.8Very low40.3Very low199 Ų199137 Ų13787%0.86574%0.737SS**  trans91.8157.8148-79.2167.3-174.5174.40122.5
389S33.6Very low38.9Very low114 Ų114138.1 Ų138.180%0.79774%0.743SS**  trans-101.7-159.1-165.6-41.10000113.1
390P47.8Very low37.3Very low118 Ų118139.7 Ų139.777%0.76675%0.752SS**  cis-151.3178.1-0.147.1-26.8000120.7
391R30.7Very low36.1Very low243 Ų243142.7 Ų142.792%0.91776%0.759SS**  trans65.2145.8139.8-123.2-176.7-176.1-172.41.9127
392A31.7Very low35.6Very low87 Ų87139.6 Ų139.672%0.71976%0.762SS**  trans81.8160.3141.900000121.6
393S33.3Very low35.4Very low100 Ų100142.1 Ų142.170%0.69977%0.769SS**  cis-178.3157.4-31.367.20000115.4
394K32.8Very low34.9Very low190 Ų190147.1 Ų147.183%0.82678%0.777SS**  trans81.1123.4146.4-76.1178.9177.5-176.70126.1
395S27.2Very low34.5Very low107 Ų107143.2 Ų143.275%0.74878%0.777SS**  74.7174.3123.2-56.30000122.4
396P48.3Very low34Very low108 Ų108145.8 Ų145.870%0.70178%0.782SS**  -146.7-176.5-56.444.9-27.9000118.2
397S27.2Very low33.6Very low107 Ų107140 Ų14075%0.74878%0.777SS**  trans76.1170.8145.2-69.10000122.5
398P44.7Very low32.5Very low104 Ų104140 Ų14068%0.67578%0.779SS**  cis-145.6174.3-41.541.4-23.6000118.5
399E27.6Very low32.5Very low172 Ų172137.7 Ų137.780%0.80478%0.775SS**  trans61.9165.2148-75.6-178.5131.700122.8
400M27.8Very low32.1Very low168 Ų168139.6 Ų139.683%0.82878%0.777SS**  cis-151.2-16312.6-139176.6-165.800114.6
401K27.4Very low31Very low191 Ų191137.3 Ų137.383%0.8378%0.775SS**  trans-132.3-160.3-173.2-46.4176.9178.5175.30113.2
402P42.4Very low30.8Very low115 Ų115130.9 Ų130.975%0.74777%0.773SS**  cis-121.3-118.2-36.227.5-2.2000110.8
403P40.1Very low30.5Very low103 Ų103132 Ų13267%0.66978%0.776SS**  cis-137.8177.7-41.339.6-20.5000118.9
404K26Very low30.2Very low216 Ų216131.2 Ų131.294%0.93977%0.77SS**  trans93.5152.6146.9-84.5171.7-178.8178.70124.4
405A27.1Very low29.8Very low94 Ų94130.8 Ų130.878%0.77777%0.769SS**  trans-115.8-170.3-163.900000113.9
406K27.1Very low29.6Very low198 Ų198133 Ų13386%0.86177%0.771SS**  cis-164.2-178.337.9-65.4-178.1171.6-174.30113.5
407S26.3Very low28.6Very low112 Ų112133.7 Ų133.778%0.78377%0.765SS**  trans88.1157.8148.9101.70000118.9
408S25.8Very low28.5Very low94 Ų94137.7 Ų137.766%0.65777%0.771SS**  cis-172140.9-729.20000115.7
409L27.4Very low27.6Very low150 Ų150141.8 Ų141.879%0.78578%0.782SS**  trans68.7155140-85.284.2000126.2
410D25.5Very low27.6Very low155 Ų155142.9 Ų142.983%0.82979%0.787SS**  trans65146.8157.7-52.2-32.8000122.9
411G24Very low27.6Very low70 Ų70144.5 Ų144.572%0.72279%0.792SS**  cis165.1146.5-12.900000116.4
412A26.4Very low27.6Very low108 Ų108145 Ų14589%0.89380%0.797SS**  trans55153.8160.300000121.8
413S27Very low27Very low110 Ų110148.4 Ų148.477%0.76980%0.803SS**  cis-169.2-160.8-14.560.80000108.7
414S25.7Very low26.5Very low84 Ų84150.8 Ų150.859%0.58781%0.811SS**  cis-178.6151.7-2.231.70000112
415F24.1Very low26.7Very low181 Ų181145.3 Ų145.379%0.79479%0.791SS**  trans65.8170.4163.3-61.6-61.3000118.4
416I24.6Very low27Very low153 Ų153149.5 Ų149.579%0.78580%0.795SS**  cis-148.1178.212.6-151164.6000114.2
417E25.6Very low27.1Very low123 Ų123146.7 Ų146.758%0.57579%0.785SS**  trans-125.4174-162.9-53.673.6-148.700114.2
418E26.8Very low27.3Very low190 Ų190145.3 Ų145.389%0.88877%0.769SS**  cis-133.6-106.3-5.8-125.9148.8-170.600117.2
419E25.7Very low27.5Very low191 Ų191144.4 Ų144.489%0.89376%0.763SS**  cis-165-172.57.1-151.3160.8-146.400111.1
420E26.1Very low27.5Very low195 Ų195145 Ų14591%0.91176%0.762SS**  trans-133.7-148.4-161.6-54.2-177.813300120.8
421E27.5Very low27.7Very low201 Ų201140.1 Ų140.194%0.93975%0.748SS**  trans114.4156.1172.1-60.7-166.3138.100122.1
422E27.8Very low28.1Very low202 Ų202143.2 Ų143.294%0.94474%0.741SS**  trans-127.5-157.7-174-59.7-159.582.700115.2
423E30.7Very low28.7Very low186 Ų186142.8 Ų142.887%0.86972%0.721SS**  cis-154.6-162.224.1-148.8165.8-156.200109
424D28.7Very low29.9Very low154 Ų154142.2 Ų142.282%0.82470%0.704SS**  cis-165.8-172.24.4-168.18.7000111.5
425D31.8Very low31.4Very low100 Ų100141.2 Ų141.254%0.53569%0.688SS.*  trans-143.8159.7-172.2-166.7-163.5000118.3G531D425-G531 PolarHBondContact OD1-N 3.42Å
426E31.5Very low33.4Very low183 Ų183134.6 Ų134.686%0.85566%0.662SS**  trans-158.3168.8178-134.1-178-142.700118.6
427E30.7Very low34.7Very low139 Ų139133.1 Ų133.165%0.6566%0.656SS**  trans-130-176.7-159.8-30.7-174.5112.600116.5G532E427-G532 WeakPolarHBondContact OE1-CA 3.45Å; E427-G532 PolarHBondContact OE1-N 2.84Å
428D29.7Very low36.5Very low82 Ų82134.9 Ų134.944%0.43967%0.669SS.*  cis-162.6171-2.9-166.635.8000115.7D533D428-D533 WeakPolarHBondContact OD1-CB 3.27Å; D428-D533 PolarHBondContact OD1-N 3.47Å; D428-D533 VanDerWaalsContact OD2-CB 3.31Å; D428-D533 WeakPolarHBondContact OD2-CB 3.3Å
429S29.9Very low39.1Very low76 Ų76127.6 Ų127.653%0.53164%0.635SS.*  trans94123.7144.180.70000123.5
430Q28.3Very low41.5Very low163 Ų163122.5 Ų122.576%0.76261%0.614SS**  160.4152128.6-91.5-179.561.100115.2
431G28.2Very low44.1Very low52 Ų52114.3 Ų114.354%0.53658%0.577SS.*  trans74.5106.7149.800000119.3Q433G431-Q433 PolarHBondContact O-N 3.19Å
432F34.4Very low46.5Very low135 Ų135111.4 Ų111.459%0.59256%0.559SS**  trans-83.494.5174.6-154.6-83000111.7W534F432-W534 HydrophobicContact CB-CH2 4.39Å; F432-W534 AromaticContact CD2-CH2 3.92Å; F432-W534 HydrophobicContact CD2-CH2 3.92Å; F432-W534 HydrophobicContact CD2-CZ3 4.06Å
433Q37.1Very low49Very low98 Ų98106 Ų10646%0.45854%0.543SS..  trans-123.8123.1180-158.3173.7-17.800107.8G431 Y435 D437G431-Q433 PolarHBondContact O-N 3.19Å; Q433-Y435 WeakPolarHBondContact CG-O 3.32Å; Q433-Y435 PolarHBondContact O-N 3.31Å; Q433-D437 PolarHBondContact NE2-OD2 3.32Å
434K53.6Low51.3Low98 Ų9899.7 Ų99.743%0.42651%0.514SS..SBendtrans-65.4-24.8-165.6-170.9176.1178.6-178.90114H495 G496K434-H495 PolarHBondContact O-CE1 2.89Å; K434-H495 PolarHBondContact O-NE2 3.41Å; K434-G496 VanDerWaalsContact CE-C 3.41Å; K434-G496 WeakPolarHBondContact CE-O 3.24Å; K434-G496 PolarHBondContact NZ-O 3.38Å
435Y57.7Low54Low64 Ų6492.8 Ų92.825%0.25148%0.477SS..SBendtrans-139151.7171-55.6-79.8000106.6Q433 D437 R456 L458Q433-Y435 WeakPolarHBondContact CG-O 3.32Å; Q433-Y435 PolarHBondContact O-N 3.31Å; Y435-D437 PolarHBondContact O-N 2.96Å; Y435-R456 HydrophobicContact CD1-CB 4.11Å; Y435-R456 HydrophobicContact CD1-CG 4.45Å; Y435-L458 HydrophobicContact CD1-CD2 3.29Å; Y435-L458 HydrophobicContact CE1-CD2 3.51Å; Y435-L458 HydrophobicContact CG-CD2 4.36Å
436V64.3Low56.4Low41 Ų4190.6 Ų90.625%0.24847%0.47CS..  trans-81.799.6170.4-179.60000108D438 F439 L457 K459V436-D438 PolarHBondContact O-N 2.95Å; V436-F439 HydrophobicContact CB-CB 4.17Å; V436-F439 HydrophobicContact CG1-CB 4.16Å; V436-F439 WeakPolarHBondContact O-CB 3.43Å; V436-F439 PolarHBondContact O-N 3.44Å; V436-F439 VanDerWaalsContact O-N 3.1Å; V436-L457 HydrophobicContact CB-CB 4.26Å; V436-L457 HydrophobicContact CB-CD2 4.07Å; V436-L457 HydrophobicContact CB-CG 4.17Å; V436-L457 HydrophobicContact CG1-CD2 4.32Å; V436-L457 HydrophobicContact CG2-CB 4.37Å; V436-L457 HydrophobicContact CG2-CD2 3.85Å; V436-L457 HydrophobicContact CG2-CG 3.8Å; V436-L457 PolarHBondContact N-O 3.01Å; V436-K459 HydrophobicContact CG2-CD 3.95Å; V436-K459 HydrophobicContact CG2-CG 3.82Å
437D52.1Low58.4Low122 Ų12284.9 Ų84.965%0.65245%0.45SS*.THydrogen-bonded Turntrans-61.9-25.9-170.3-68.4-52.9000114.1Q433 Y435Q433-D437 PolarHBondContact NE2-OD2 3.32Å; Y435-D437 PolarHBondContact O-N 2.96Å
438D64.4Low60.7Low160 Ų16085.5 Ų85.586%0.85646%0.458SS*.THydrogen-bonded Turntrans-98.115.3178.3-64.4-57000113.8V436 D440V436-D438 PolarHBondContact O-N 2.95Å; D438-D440 PolarHBondContact O-N 2.79Å
439F80.8Confident63.1Low38 Ų3884.6 Ų84.617%0.16745%0.451CS..  trans-74.9119.8176.4176.2-109.3000111.6V436 P441 M444 V455 L457 V538V436-F439 HydrophobicContact CB-CB 4.17Å; V436-F439 HydrophobicContact CG1-CB 4.16Å; V436-F439 WeakPolarHBondContact O-CB 3.43Å; V436-F439 PolarHBondContact O-N 3.44Å; V436-F439 VanDerWaalsContact O-N 3.1Å; F439-P441 HydrophobicContact CD1-CG 3.98Å; F439-P441 HydrophobicContact CE1-CB 3.97Å; F439-P441 HydrophobicContact CE1-CG 3.79Å; F439-P441 WeakPolarHBondContact O-CD 3.35Å; F439-M444 HydrophobicContact CE2-CG 4.37Å; F439-M444 HydrophobicContact CE2-SD 3.85Å; F439-M444 HydrophobicContact CZ-CG 4.49Å; F439-M444 HydrophobicContact CZ-SD 4.01Å; F439-V455 HydrophobicContact CE1-CG1 4.44Å; F439-L457 HydrophobicContact CB-CB 3.92Å; F439-L457 HydrophobicContact CB-CD2 4.4Å; F439-L457 HydrophobicContact CD1-CB 3.71Å; F439-L457 HydrophobicContact CD2-CB 3.71Å; F439-L457 HydrophobicContact CD2-CD2 3.66Å; F439-L457 HydrophobicContact CD2-CG 4.32Å; F439-L457 HydrophobicContact CE1-CB 4.1Å; F439-L457 HydrophobicContact CE2-CB 4.11Å; F439-L457 HydrophobicContact CE2-CD2 4.2Å; F439-L457 HydrophobicContact CG-CB 3.49Å; F439-L457 VanDerWaalsContact CG-CB 3.49Å; F439-L457 HydrophobicContact CG-CD2 4.16Å; F439-L457 HydrophobicContact CG-CG 4.48Å; F439-L457 HydrophobicContact CZ-CB 4.29Å; F439-V538 HydrophobicContact CE1-CG1 3.97Å; F439-V538 HydrophobicContact CZ-CG1 4.03Å; F439-V538 HydrophobicContact CZ-CG2 4.07Å
440D77.1Confident65.6Low84 Ų8481.3 Ų81.345%0.44943%0.427SS..  trans-93.8109.8170176.413.4000110.8D438 Y442 S443D438-D440 PolarHBondContact O-N 2.79Å; D440-Y442 PolarHBondContact O-N 2.93Å; D440-Y442 WeakPolarHBondContact OD1-CB 3.4Å; D440-Y442 WeakPolarHBondContact OD1-CD2 3.24Å; D440-Y442 PolarHBondContact OD1-N 3.5Å; D440-S443 WeakPolarHBondContact O-CB 3.25Å; D440-S443 PolarHBondContact O-N 3.32Å; D440-S443 VanDerWaalsContact O-N 3.12Å; D440-S443 PolarHBondContact O-OG 2.62Å
441P81Confident67.8Low22 Ų2279.6 Ų79.614%0.14342%0.423CS..G310 helixtrans-64.9-25.5178.5-2033.5000113.6F439 S443 M444 F445 I450 V455F439-P441 HydrophobicContact CD1-CG 3.98Å; F439-P441 HydrophobicContact CE1-CB 3.97Å; F439-P441 HydrophobicContact CE1-CG 3.79Å; F439-P441 WeakPolarHBondContact O-CD 3.35Å; P441-S443 PolarHBondContact O-N 2.97Å; P441-M444 PolarHBondContact O-N 3.46Å; P441-M444 VanDerWaalsContact O-N 3.12Å; P441-F445 HydrophobicContact CB-CD2 4.47Å; P441-F445 WeakPolarHBondContact O-CD2 3.46Å; P441-F445 PolarHBondContact O-N 3.11Å; P441-I450 HydrophobicContact CB-CD1 3.73Å; P441-V455 HydrophobicContact CB-CB 3.98Å; P441-V455 HydrophobicContact CB-CG1 4.03Å; P441-V455 HydrophobicContact CG-CB 4.03Å; P441-V455 HydrophobicContact CG-CG1 4.35Å; P441-V455 WeakPolarHBondContact CG-O 3.28Å
442Y76.6Confident69.8Low140 Ų14081.1 Ų81.155%0.54944%0.439SS..G310 helixtrans-70.2-10.1176.6-64.2-88.8000112.7D440 M444 I450D440-Y442 PolarHBondContact O-N 2.93Å; D440-Y442 WeakPolarHBondContact OD1-CB 3.4Å; D440-Y442 WeakPolarHBondContact OD1-CD2 3.24Å; D440-Y442 PolarHBondContact OD1-N 3.5Å; Y442-M444 VanDerWaalsContact C-N 3.35Å; Y442-I450 HydrophobicContact CD1-CD1 3.68Å; Y442-I450 HydrophobicContact CD1-CG1 4.36Å; Y442-I450 HydrophobicContact CD2-CD1 3.92Å; Y442-I450 HydrophobicContact CE1-CD1 3.67Å; Y442-I450 HydrophobicContact CE1-CG1 4.01Å; Y442-I450 HydrophobicContact CE2-CD1 3.91Å; Y442-I450 HydrophobicContact CG-CD1 3.79Å
443S79.9Confident72.1Confident88 Ų8878.8 Ų78.862%0.61543%0.426SS*.G310 helixtrans-75.6-21.4170.7730000113.6D440 P441D440-S443 WeakPolarHBondContact O-CB 3.25Å; D440-S443 PolarHBondContact O-N 3.32Å; D440-S443 VanDerWaalsContact O-N 3.12Å; D440-S443 PolarHBondContact O-OG 2.62Å; P441-S443 PolarHBondContact O-N 2.97Å
444M79.3Confident74.2Confident54 Ų5477.9 Ų77.927%0.26643%0.425SS..THydrogen-bonded Turntrans-115.1-25.8-177.8-70.5-168.569.900114.2F439 P441 Y442 A506 G509 I511 V538F439-M444 HydrophobicContact CE2-CG 4.37Å; F439-M444 HydrophobicContact CE2-SD 3.85Å; F439-M444 HydrophobicContact CZ-CG 4.49Å; F439-M444 HydrophobicContact CZ-SD 4.01Å; P441-M444 PolarHBondContact O-N 3.46Å; P441-M444 VanDerWaalsContact O-N 3.12Å; Y442-M444 VanDerWaalsContact C-N 3.35Å; M444-A506 HydrophobicContact CE-CB 3.93Å; M444-G509 WeakPolarHBondContact CE-O 3.37Å; M444-I511 HydrophobicContact CE-CG1 4.31Å; M444-I511 VanDerWaalsContact O-CD1 3.31Å; M444-I511 WeakPolarHBondContact O-CD1 3.4Å; M444-V538 HydrophobicContact SD-CG2 4.32Å
445F86.6Confident75.8Confident9 Ų973.9 Ų73.94%0.03941%0.408CS..SBendtrans-128.7150.9-172.8-51.3-71.7000112.1P441 Q449 I450 V455 M505 A506 I511 I513 V538P441-F445 HydrophobicContact CB-CD2 4.47Å; P441-F445 WeakPolarHBondContact O-CD2 3.46Å; P441-F445 PolarHBondContact O-N 3.11Å; F445-Q449 HydrophobicContact CB-CB 4.05Å; F445-I450 HydrophobicContact CB-CG2 3.6Å; F445-I450 HydrophobicContact CD2-CG2 3.89Å; F445-I450 HydrophobicContact CG-CG2 3.92Å; F445-V455 HydrophobicContact CD2-CG1 4.45Å; F445-V455 HydrophobicContact CE2-CG1 4.09Å; F445-M505 HydrophobicContact CD1-CE 4.06Å; F445-M505 HydrophobicContact CD2-CE 4.36Å; F445-M505 HydrophobicContact CE1-CB 4.19Å; F445-M505 HydrophobicContact CE1-CE 4.03Å; F445-M505 HydrophobicContact CE2-CE 4.35Å; F445-M505 HydrophobicContact CG-CE 4.22Å; F445-M505 HydrophobicContact CZ-CB 3.81Å; F445-M505 HydrophobicContact CZ-CE 4.18Å; F445-A506 HydrophobicContact CZ-CB 4.17Å; F445-I511 HydrophobicContact CD1-CD1 4.46Å; F445-I511 HydrophobicContact CE1-CD1 4.39Å; F445-I511 HydrophobicContact CE1-CG1 4.02Å; F445-I511 HydrophobicContact CE1-CG2 4.15Å; F445-I513 HydrophobicContact CD1-CD1 3.52Å; F445-I513 HydrophobicContact CE1-CD1 3.81Å; F445-I513 HydrophobicContact CE1-CG1 4.38Å; F445-V538 HydrophobicContact CE2-CG1 3.96Å; F445-V538 HydrophobicContact CZ-CG1 4.21Å
446S81.1Confident77.1Confident54 Ų5474.4 Ų74.438%0.37841%0.41SS..  trans-69.2157.3171.479.10000111D448 Q449 I450S446-D448 PolarHBondContact O-N 2.91Å; S446-Q449 WeakPolarHBondContact O-CB 3.42Å; S446-Q449 PolarHBondContact O-N 3.38Å; S446-Q449 WeakPolarHBondContact OG-CG 3.33Å; S446-Q449 PolarHBondContact OG-N 3.49Å; S446-I450 PolarHBondContact O-N 3.46Å
447S74.3Confident78.2Confident63 Ų6373.4 Ų73.444%0.44140%0.403SS..Hα-helixtrans-55.5-38.2177.4-166.10000112.3Q449 I450 D451S447-Q449 VanDerWaalsContact C-N 3.26Å; S447-Q449 PolarHBondContact O-N 3.01Å; S447-I450 PolarHBondContact O-N 3.34Å; S447-D451 PolarHBondContact O-N 2.94Å
448D78.3Confident79.9Confident152 Ų15267.6 Ų67.681%0.81337%0.372SS*.Hα-helixtrans-68.3-24.8178.9-48.6-43.8000112.5S446S446-D448 PolarHBondContact O-N 2.91Å
449Q79.8Confident80.9Confident64 Ų6463.1 Ų63.130%0.29935%0.345SS..Hα-helixtrans-80.1-15.4176.4-74.9173.5-33.900113.2F445 S446 S447 R453 I513F445-Q449 HydrophobicContact CB-CB 4.05Å; S446-Q449 WeakPolarHBondContact O-CB 3.42Å; S446-Q449 PolarHBondContact O-N 3.38Å; S446-Q449 WeakPolarHBondContact OG-CG 3.33Å; S446-Q449 PolarHBondContact OG-N 3.49Å; S447-Q449 VanDerWaalsContact C-N 3.26Å; S447-Q449 PolarHBondContact O-N 3.01Å; Q449-R453 VanDerWaalsContact O-CZ 3.26Å; Q449-R453 PolarHBondContact O-NE 3.19Å; Q449-R453 PolarHBondContact O-NH2 3.18Å; Q449-I513 HydrophobicContact CB-CD1 4.06Å; Q449-I513 HydrophobicContact CG-CD1 4.01Å
450I83.8Confident81.3Confident7 Ų761.4 Ų61.44%0.03634%0.337CS..Hα-helixtrans-130.45.8-177.361.3174.4000114.4P441 Y442 F445 S446 S447 G452 R453 V455 M505P441-I450 HydrophobicContact CB-CD1 3.73Å; Y442-I450 HydrophobicContact CD1-CD1 3.68Å; Y442-I450 HydrophobicContact CD1-CG1 4.36Å; Y442-I450 HydrophobicContact CD2-CD1 3.92Å; Y442-I450 HydrophobicContact CE1-CD1 3.67Å; Y442-I450 HydrophobicContact CE1-CG1 4.01Å; Y442-I450 HydrophobicContact CE2-CD1 3.91Å; Y442-I450 HydrophobicContact CG-CD1 3.79Å; F445-I450 HydrophobicContact CB-CG2 3.6Å; F445-I450 HydrophobicContact CD2-CG2 3.89Å; F445-I450 HydrophobicContact CG-CG2 3.92Å; S446-I450 PolarHBondContact O-N 3.46Å; S447-I450 PolarHBondContact O-N 3.34Å; I450-G452 PolarHBondContact O-N 2.99Å; I450-R453 PolarHBondContact O-N 2.87Å; I450-V455 HydrophobicContact CB-CG2 4.11Å; I450-V455 HydrophobicContact CG2-CG2 3.77Å; I450-M505 HydrophobicContact CG2-CE 3.97Å
451D74.8Confident81.7Confident127 Ų12761 Ų6168%0.67933%0.332SS*.THydrogen-bonded Turntrans-57.3128177.5-170.430.8000111.6S447 R453S447-D451 PolarHBondContact O-N 2.94Å; D451-R453 WeakPolarHBondContact O-CG 3.15Å; D451-R453 PolarHBondContact O-N 3.46Å
452G69.9Low81.9Confident84 Ų8462 Ų6287%0.86633%0.334SS*.THydrogen-bonded Turntrans64.27.9-174.300000116.5I450I450-G452 PolarHBondContact O-N 2.99Å
453R81.7Confident81.9Confident86 Ų8657.4 Ų57.433%0.32533%0.325SS..  trans-104132.1-176.5-53.6-147.5-85.1-173.3-1.6112.5Q449 I450 D451 V455 E503 A540Q449-R453 VanDerWaalsContact O-CZ 3.26Å; Q449-R453 PolarHBondContact O-NE 3.19Å; Q449-R453 PolarHBondContact O-NH2 3.18Å; I450-R453 PolarHBondContact O-N 2.87Å; D451-R453 WeakPolarHBondContact O-CG 3.15Å; D451-R453 PolarHBondContact O-N 3.46Å; R453-V455 HydrophobicContact CB-CG2 3.81Å; R453-V455 PolarHBondContact O-N 3.28Å; R453-E503 IonicContact CZ-OE1 3.55Å; R453-E503 IonicContact CZ-OE2 3.58Å; R453-E503 IonicContact NH1-OE1 2.76Å; R453-E503 PolarHBondContact NH1-OE1 2.87Å; R453-E503 IonicContact NH1-OE2 3.06Å; R453-E503 PolarHBondContact NH1-OE2 3.01Å; R453-E503 IonicContact NH2-OE1 2.77Å; R453-A540 HydrophobicContact CB-CB 4.4Å
454D82.4Confident81.9Confident78 Ų7856 Ų5642%0.41732%0.324SS..  trans-82.593.3171.5-176.7-13.3000108.9R456 A540 V541D454-R456 WeakPolarHBondContact OD1-CG 3.48Å; D454-R456 IonicContact OD1-CZ 3.77Å; D454-R456 IonicContact OD1-NE 2.91Å; D454-R456 PolarHBondContact OD1-NE 2.93Å; D454-R456 IonicContact OD1-NH2 3.48Å; D454-R456 PolarHBondContact OD1-NH2 3.27Å; D454-R456 IonicContact OD2-CZ 2.92Å; D454-R456 IonicContact OD2-NE 2.65Å; D454-R456 IonicContact OD2-NH2 2.69Å; D454-R456 PolarHBondContact OD2-NH2 2.86Å; D454-A540 WeakPolarHBondContact O-CA 3.13Å; D454-V541 HydrophobicContact CB-CB 4.3Å; D454-V541 PolarHBondContact O-N 2.73Å
455V87.1Confident82.1Confident14 Ų1460.1 Ų60.19%0.08534%0.343CS..EExtended strand (participates in β ladder)trans-103126.9-172.7-175.40000110.8F439 P441 F445 I450 R453 M505 V538 I539 A540F439-V455 HydrophobicContact CE1-CG1 4.44Å; P441-V455 HydrophobicContact CB-CB 3.98Å; P441-V455 HydrophobicContact CB-CG1 4.03Å; P441-V455 HydrophobicContact CG-CB 4.03Å; P441-V455 HydrophobicContact CG-CG1 4.35Å; P441-V455 WeakPolarHBondContact CG-O 3.28Å; F445-V455 HydrophobicContact CD2-CG1 4.45Å; F445-V455 HydrophobicContact CE2-CG1 4.09Å; I450-V455 HydrophobicContact CB-CG2 4.11Å; I450-V455 HydrophobicContact CG2-CG2 3.77Å; R453-V455 HydrophobicContact CB-CG2 3.81Å; R453-V455 PolarHBondContact O-N 3.28Å; V455-M505 HydrophobicContact CG1-SD 3.92Å; V455-M505 HydrophobicContact CG2-SD 3.8Å; V455-V538 HydrophobicContact CG1-CG1 3.58Å; V455-I539 CarbonylContact C-O 3.58Å; V455-I539 VanDerWaalsContact CA-O 3.3Å; V455-I539 WeakPolarHBondContact CA-O 3.49Å; V455-A540 HydrophobicContact CG2-CB 4.21Å
456R84.5Confident82Confident76 Ų7660.6 Ų60.629%0.28735%0.346SS..EExtended strand (participates in β ladder)trans-136.9138-171.6-53.6-172.2-171.1179.36.5112.6Y435 D454 V538 I539 V541Y435-R456 HydrophobicContact CD1-CB 4.11Å; Y435-R456 HydrophobicContact CD1-CG 4.45Å; D454-R456 WeakPolarHBondContact OD1-CG 3.48Å; D454-R456 IonicContact OD1-CZ 3.77Å; D454-R456 IonicContact OD1-NE 2.91Å; D454-R456 PolarHBondContact OD1-NE 2.93Å; D454-R456 IonicContact OD1-NH2 3.48Å; D454-R456 PolarHBondContact OD1-NH2 3.27Å; D454-R456 IonicContact OD2-CZ 2.92Å; D454-R456 IonicContact OD2-NE 2.65Å; D454-R456 IonicContact OD2-NH2 2.69Å; D454-R456 PolarHBondContact OD2-NH2 2.86Å; R456-V538 WeakPolarHBondContact O-CA 3.35Å; R456-I539 PolarHBondContact N-O 2.75Å; R456-I539 PolarHBondContact O-N 3.23Å; R456-V541 HydrophobicContact CG-CG2 4.13Å
457L86.5Confident82.2Confident20 Ų2060.5 Ų60.511%0.10534%0.341CS..EExtended strand (participates in β ladder)trans-89.7133.3169.1173.762.5000110.8V436 F439 D536 V538V436-L457 HydrophobicContact CB-CB 4.26Å; V436-L457 HydrophobicContact CB-CD2 4.07Å; V436-L457 HydrophobicContact CB-CG 4.17Å; V436-L457 HydrophobicContact CG1-CD2 4.32Å; V436-L457 HydrophobicContact CG2-CB 4.37Å; V436-L457 HydrophobicContact CG2-CD2 3.85Å; V436-L457 HydrophobicContact CG2-CG 3.8Å; V436-L457 PolarHBondContact N-O 3.01Å; F439-L457 HydrophobicContact CB-CB 3.92Å; F439-L457 HydrophobicContact CB-CD2 4.4Å; F439-L457 HydrophobicContact CD1-CB 3.71Å; F439-L457 HydrophobicContact CD2-CB 3.71Å; F439-L457 HydrophobicContact CD2-CD2 3.66Å; F439-L457 HydrophobicContact CD2-CG 4.32Å; F439-L457 HydrophobicContact CE1-CB 4.1Å; F439-L457 HydrophobicContact CE2-CB 4.11Å; F439-L457 HydrophobicContact CE2-CD2 4.2Å; F439-L457 HydrophobicContact CG-CB 3.49Å; F439-L457 VanDerWaalsContact CG-CB 3.49Å; F439-L457 HydrophobicContact CG-CD2 4.16Å; F439-L457 HydrophobicContact CG-CG 4.48Å; F439-L457 HydrophobicContact CZ-CB 4.29Å; L457-D536 HydrophobicContact CD1-CB 3.98Å; L457-V538 HydrophobicContact CB-CG2 4.34Å; L457-V538 HydrophobicContact CD1-CG2 3.79Å
458L88.2Confident82.9Confident0 Ų059 Ų590%033%0.328CS..EExtended strand (participates in β ladder)trans-120.3137.4-179.3-49.6-178.2000109.7Y435 I498 D536 V537 I539Y435-L458 HydrophobicContact CD1-CD2 3.29Å; Y435-L458 HydrophobicContact CE1-CD2 3.51Å; Y435-L458 HydrophobicContact CG-CD2 4.36Å; L458-I498 HydrophobicContact CD1-CD1 3.97Å; L458-I498 HydrophobicContact CD1-CG1 3.26Å; L458-D536 WeakPolarHBondContact O-CA 3.41Å; L458-V537 WeakPolarHBondContact CB-O 3.29Å; L458-V537 PolarHBondContact N-O 2.75Å; L458-V537 PolarHBondContact O-N 2.68Å; L458-I539 HydrophobicContact CD1-CD1 3.88Å; L458-I539 HydrophobicContact CD1-CG1 4.03Å; L458-I539 HydrophobicContact CG-CG1 4.39Å
459K85.6Confident83.3Confident66 Ų6652.8 Ų52.829%0.28730%0.297SS..EExtended strand (participates in β ladder)trans-111.193.8174.7-70-170166.7-76.10109.8V436 W534 D536V436-K459 HydrophobicContact CG2-CD 3.95Å; V436-K459 HydrophobicContact CG2-CG 3.82Å; K459-W534 HydrophobicContact CB-CE3 4.13Å; K459-W534 WeakPolarHBondContact O-CZ3 3.26Å; K459-D536 WeakPolarHBondContact CG-OD1 3.46Å; K459-D536 IonicContact NZ-OD1 2.62Å; K459-D536 PolarHBondContact NZ-OD1 2.84Å; K459-D536 IonicContact NZ-OD2 2.71Å; K459-D536 PolarHBondContact NZ-OD2 2.71Å
460I88.1Confident83.8Confident1 Ų150.4 Ų50.41%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-89.2122.2-177-57.3175.8000108.6L466 A491 H495 I498 W528 W534 I535 V537I460-L466 HydrophobicContact CD1-CD1 4.43Å; I460-L466 HydrophobicContact CG2-CD1 4.36Å; I460-A491 HydrophobicContact CG2-CB 4.27Å; I460-H495 HydrophobicContact CG1-CB 4.07Å; I460-H495 HydrophobicContact CG2-CB 4.24Å; I460-I498 HydrophobicContact CD1-CD1 3.71Å; I460-I498 HydrophobicContact CD1-CG1 4.45Å; I460-W528 HydrophobicContact CG2-CH2 4.34Å; I460-W528 HydrophobicContact CG2-CZ3 4.14Å; I460-W534 CarbonylContact O-C 3.55Å; I460-W534 WeakPolarHBondContact O-CA 3.48Å; I460-I535 HydrophobicContact CB-CG2 3.71Å; I460-I535 HydrophobicContact CG2-CG2 4.32Å; I460-I535 PolarHBondContact N-O 3.02Å; I460-I535 PolarHBondContact O-N 3.41Å; I460-V537 HydrophobicContact CD1-CG2 4.24Å
461K85.8Confident84Confident76 Ų7654.4 Ų54.433%0.3331%0.305SS..EExtended strand (participates in β ladder)trans-70.3137.5175.4-177.4163.9175127.60111.2A463 D533 W534K461-A463 PolarHBondContact O-N 2.97Å; K461-D533 WeakPolarHBondContact CE-OD1 3.34Å; K461-D533 WeakPolarHBondContact CE-OD2 3.46Å; K461-D533 WeakPolarHBondContact CG-O 3.41Å; K461-D533 IonicContact NZ-OD1 3.51Å; K461-D533 PolarHBondContact NZ-OD1 3.22Å; K461-D533 IonicContact NZ-OD2 3.52Å; K461-D533 PolarHBondContact NZ-OD2 2.93Å; K461-W534 HydrophobicContact CB-CD2 4.16Å; K461-W534 HydrophobicContact CB-CE3 3.79Å; K461-W534 HydrophobicContact CB-CH2 4Å; K461-W534 HydrophobicContact CB-CZ2 4.3Å; K461-W534 HydrophobicContact CB-CZ3 3.72Å; K461-W534 HydrophobicContact CD-CH2 4.32Å; K461-W534 HydrophobicContact CD-CZ2 4.04Å; K461-W534 HydrophobicContact CG-CD2 4.49Å; K461-W534 HydrophobicContact CG-CZ2 4.38Å
462K85.1Confident84.8Confident42 Ų4249 Ų4918%0.18328%0.279CS..  trans-69.885.8175.3-66.8-175-172.3163.30111.3A527 W528 S530 G531 G532 D533 W534K462-A527 VanDerWaalsContact CE-O 3.24Å; K462-A527 WeakPolarHBondContact CE-O 3.43Å; K462-A527 PolarHBondContact NZ-O 3.32Å; K462-W528 HydrophobicContact CB-CH2 4.26Å; K462-W528 HydrophobicContact CB-CZ2 4.31Å; K462-W528 VanDerWaalsContact CD-O 3.32Å; K462-W528 WeakPolarHBondContact CD-O 3.35Å; K462-W528 VanDerWaalsContact CE-O 3.23Å; K462-W528 WeakPolarHBondContact CE-O 3.45Å; K462-W528 HydrophobicContact CG-CD2 4.31Å; K462-W528 HydrophobicContact CG-CE3 4.04Å; K462-W528 HydrophobicContact CG-CH2 4.15Å; K462-W528 HydrophobicContact CG-CZ2 4.41Å; K462-W528 HydrophobicContact CG-CZ3 3.94Å; K462-W528 PolarHBondContact NZ-O 2.99Å; K462-S530 PolarHBondContact NZ-O 2.91Å; K462-S530 PolarHBondContact NZ-OG 3.03Å; K462-G531 PolarHBondContact NZ-O 3.45Å; K462-G532 WeakPolarHBondContact CD-O 3.4Å; K462-G532 VanDerWaalsContact CE-O 3.23Å; K462-G532 WeakPolarHBondContact CE-O 3.41Å; K462-G532 PolarHBondContact NZ-O 3.24Å; K462-D533 PolarHBondContact N-O 3.46Å; K462-W534 WeakPolarHBondContact CE-O 3.3Å
463A77.8Confident85.6Confident45 Ų4545 Ų4537%0.37224%0.238SC..  trans-128.356.9-167.900000113.7K461 K494K461-A463 PolarHBondContact O-N 2.97Å; A463-K494 PolarHBondContact O-NZ 3.36Å
464G80Confident85.8Confident57 Ų5742.9 Ų42.959%0.58824%0.238SC*.SBendtrans117.8-140.8-175.600000111W528G464-W528 WeakPolarHBondContact O-CZ2 3.39Å; G464-W528 PolarHBondContact O-NE1 3.18Å
465Q83.8Confident85.9Confident142 Ų14247.2 Ų47.266%0.66426%0.256SS*.  trans-85.8151.1166.8-66.3178.664.500109.3D467 A491Q465-D467 VanDerWaalsContact C-N 3.3Å; Q465-D467 VanDerWaalsContact CB-OD1 3.26Å; Q465-D467 WeakPolarHBondContact CB-OD1 3.44Å; Q465-A491 WeakPolarHBondContact O-CB 3.37Å; Q465-A491 PolarHBondContact O-N 2.85Å
466L83.7Confident85.7Confident19 Ų1948 Ų4810%0.09926%0.262CS..  trans-64.8-39.2178.3178.757.3000111.2I460 I468 A491 A492 L524 W528I460-L466 HydrophobicContact CD1-CD1 4.43Å; I460-L466 HydrophobicContact CG2-CD1 4.36Å; L466-I468 VanDerWaalsContact C-N 3.35Å; L466-I468 HydrophobicContact CD2-CG2 3.56Å; L466-I468 HydrophobicContact CG-CB 4.27Å; L466-I468 HydrophobicContact CG-CG2 3.63Å; L466-I468 PolarHBondContact O-N 3.38Å; L466-A491 PolarHBondContact O-N 2.93Å; L466-A492 HydrophobicContact CD1-CB 4.12Å; L466-A492 WeakPolarHBondContact O-CB 3.33Å; L466-A492 PolarHBondContact O-N 3.44Å; L466-A492 VanDerWaalsContact O-N 3.11Å; L466-L524 HydrophobicContact CD2-CB 4.41Å; L466-L524 HydrophobicContact CD2-CD1 4.36Å; L466-L524 HydrophobicContact CD2-CD2 4.05Å; L466-W528 HydrophobicContact CB-CD2 3.71Å; L466-W528 HydrophobicContact CB-CE3 3.87Å; L466-W528 HydrophobicContact CB-CG 4.22Å; L466-W528 HydrophobicContact CB-CH2 4.24Å; L466-W528 HydrophobicContact CB-CZ2 4.1Å; L466-W528 HydrophobicContact CB-CZ3 4.15Å; L466-W528 HydrophobicContact CD1-CE3 3.86Å; L466-W528 HydrophobicContact CD1-CH2 4.06Å; L466-W528 HydrophobicContact CD1-CZ3 3.58Å; L466-W528 HydrophobicContact CD2-CE3 4.2Å; L466-W528 HydrophobicContact CG-CD2 4.48Å; L466-W528 HydrophobicContact CG-CE3 4.17Å; L466-W528 HydrophobicContact CG-CZ3 4.32Å
467D85.8Confident85.1Confident51 Ų5151.3 Ų51.327%0.27329%0.294SS..  trans55.447.1171.9-71.7-21.9000113.4Q465 Y487 G490Q465-D467 VanDerWaalsContact C-N 3.3Å; Q465-D467 VanDerWaalsContact CB-OD1 3.26Å; Q465-D467 WeakPolarHBondContact CB-OD1 3.44Å; D467-Y487 HydrophobicContact CB-CD2 4.37Å; D467-Y487 WeakPolarHBondContact O-CD2 3.38Å; D467-Y487 PolarHBondContact O-N 2.89Å; D467-G490 VanDerWaalsContact CB-CA 3.47Å; D467-G490 WeakPolarHBondContact OD2-CA 3.5Å
468I87.8Confident84.4Confident33 Ų3354.8 Ų54.817%0.16931%0.312CS..EExtended strand (participates in β ladder)trans-117.4142171.3-163171.2000109.5L466 V483 V486 A492 I498 L524L466-I468 VanDerWaalsContact C-N 3.35Å; L466-I468 HydrophobicContact CD2-CG2 3.56Å; L466-I468 HydrophobicContact CG-CB 4.27Å; L466-I468 HydrophobicContact CG-CG2 3.63Å; L466-I468 PolarHBondContact O-N 3.38Å; I468-V483 HydrophobicContact CD1-CB 4.49Å; I468-V483 HydrophobicContact CD1-CG1 3.86Å; I468-V483 HydrophobicContact CD1-CG2 3.8Å; I468-V483 HydrophobicContact CG1-CG1 3.7Å; I468-V483 HydrophobicContact CG1-CG2 4.42Å; I468-V486 HydrophobicContact CG1-CG2 4.38Å; I468-A492 HydrophobicContact CB-CB 4.38Å; I468-I498 HydrophobicContact CD1-CD1 3.83Å; I468-I498 HydrophobicContact CD1-CG2 4.02Å; I468-L524 HydrophobicContact CG2-CD1 3.8Å
469A87.3Confident84.2Confident20 Ų2056.4 Ų56.417%0.16533%0.329CS..EExtended strand (participates in β ladder)trans-109.7135.2170.100000110V483 S484 S485 Y487A469-V483 CarbonylContact O-C 3.54Å; A469-V483 WeakPolarHBondContact O-CA 3.36Å; A469-S484 VanDerWaalsContact CB-OG 3.3Å; A469-S484 WeakPolarHBondContact CB-OG 3.46Å; A469-S484 PolarHBondContact O-N 3.01Å; A469-S484 PolarHBondContact O-OG 2.72Å; A469-S485 PolarHBondContact N-O 3.02Å; A469-Y487 HydrophobicContact CB-CE2 4.17Å
470L90.1Very high84.3Confident15 Ų1557.2 Ų57.28%0.07933%0.332CS..EExtended strand (participates in β ladder)trans-105.5146.4170.7-64.1-176.2000110.6V482 V483 L504 L517 Q521 L524L470-V482 CarbonylContact C-O 3.5Å; L470-V482 WeakPolarHBondContact CA-O 3.36Å; L470-V483 HydrophobicContact CD2-CG2 4.14Å; L470-L504 HydrophobicContact CD1-CD2 3.61Å; L470-L504 HydrophobicContact CD2-CB 4.35Å; L470-L504 HydrophobicContact CD2-CD2 3.97Å; L470-L504 HydrophobicContact CG-CD2 4.42Å; L470-L517 HydrophobicContact CB-CD1 3.92Å; L470-Q521 HydrophobicContact CB-CG 4.43Å; L470-Q521 HydrophobicContact CD1-CG 4.44Å; L470-L524 HydrophobicContact CD1-CD1 3.62Å; L470-L524 HydrophobicContact CD1-CG 4.41Å; L470-L524 HydrophobicContact CD2-CD1 4.25Å; L470-L524 HydrophobicContact CG-CD1 3.88Å
471E88.9Confident84.4Confident91 Ų9157.3 Ų57.343%0.42533%0.333SS..EExtended strand (participates in β ladder)trans-129.4171.8163.972.2-172.6-177.900110.8L478 V482 S484E471-L478 HydrophobicContact CG-CD1 4.06Å; E471-V482 HydrophobicContact CG-CB 4.27Å; E471-V482 PolarHBondContact N-O 3.39Å; E471-V482 PolarHBondContact O-N 2.97Å; E471-S484 VanDerWaalsContact CD-CB 3.5Å; E471-S484 WeakPolarHBondContact OE2-CB 3.39Å
472G91.6Very high84.6Confident13 Ų1354.4 Ų54.413%0.13432%0.321CS..EExtended strand (participates in β ladder)trans88.3-126176.100000114S476 K480 L517G472-S476 WeakPolarHBondContact CA-OG 3.34Å; G472-S476 WeakPolarHBondContact O-CB 3.2Å; G472-S476 PolarHBondContact O-OG 3.27Å; G472-K480 WeakPolarHBondContact CA-O 3.38Å; G472-L517 WeakPolarHBondContact O-CB 3.41Å
473G86.8Confident85Confident0 Ų052.4 Ų52.40%031%0.313CS..  trans87.1167.8-168.300000113E475 S476 G479 K480 A515G473-E475 VanDerWaalsContact C-N 3.32Å; G473-E475 PolarHBondContact O-N 3.41Å; G473-S476 VanDerWaalsContact O-CB 3.32Å; G473-S476 WeakPolarHBondContact O-CB 3.36Å; G473-S476 PolarHBondContact O-N 2.92Å; G473-S476 PolarHBondContact O-OG 3.41Å; G473-G479 CarbonylContact O-C 3.53Å; G473-K480 VanDerWaalsContact N-C 3.29Å; G473-K480 PolarHBondContact N-O 3.07Å; G473-A515 CarbonylContact C-O 3.55Å; G473-A515 WeakPolarHBondContact CA-O 3.41Å
474A85.3Confident85.5Confident41 Ų4152 Ų5234%0.33931%0.307SS..THydrogen-bonded Turntrans-60.9-33.7-172.600000114.8S476 D514 A515A474-S476 PolarHBondContact O-N 3.42Å; A474-D514 VanDerWaalsContact CB-O 3.23Å; A474-D514 WeakPolarHBondContact CB-O 3.23Å; A474-A515 PolarHBondContact N-O 3.27Å
475E84.2Confident85.6Confident170 Ų17051.6 Ų51.679%0.79430%0.295SS*.THydrogen-bonded Turntrans-78.5-5177.9-60.8-176.8112.700113.4G473 T516G473-E475 VanDerWaalsContact C-N 3.32Å; G473-E475 PolarHBondContact O-N 3.41Å; E475-T516 HydrophobicContact CG-CG2 4.16Å; E475-T516 WeakPolarHBondContact OE2-CG2 3.31Å
476S83.5Confident85.7Confident30 Ų3046.3 Ų46.321%0.2127%0.273CS..SBendtrans-92.7161.717980.80000112.5G472 G473 A474 L478 G479G472-S476 WeakPolarHBondContact CA-OG 3.34Å; G472-S476 WeakPolarHBondContact O-CB 3.2Å; G472-S476 PolarHBondContact O-OG 3.27Å; G473-S476 VanDerWaalsContact O-CB 3.32Å; G473-S476 WeakPolarHBondContact O-CB 3.36Å; G473-S476 PolarHBondContact O-N 2.92Å; G473-S476 PolarHBondContact O-OG 3.41Å; A474-S476 PolarHBondContact O-N 3.42Å; S476-L478 PolarHBondContact O-N 3.19Å; S476-L478 PolarHBondContact OG-N 3.11Å; S476-L478 VanDerWaalsContact OG-N 3.12Å; S476-G479 PolarHBondContact O-N 3.32Å; S476-G479 PolarHBondContact OG-N 2.95Å
477P70.5Confident85.5Confident146 Ų14651.6 Ų51.695%0.94829%0.292SS*.THydrogen-bonded Turntrans-61-10.1169.8-23.635000115.4
478L72.6Confident85.1Confident92 Ų9258.2 Ų58.248%0.48232%0.321SS..THydrogen-bonded Turntrans-84.5-25.2172.6-62.1178.5000112.2E471 S476 K480 V482E471-L478 HydrophobicContact CG-CD1 4.06Å; S476-L478 PolarHBondContact O-N 3.19Å; S476-L478 PolarHBondContact OG-N 3.11Å; S476-L478 VanDerWaalsContact OG-N 3.12Å; L478-K480 WeakPolarHBondContact O-CG 3.25Å; L478-K480 PolarHBondContact O-N 2.97Å; L478-K480 VanDerWaalsContact O-N 3.09Å; L478-V482 HydrophobicContact CD1-CG2 4.41Å
479G83.3Confident84.4Confident35 Ų3558.5 Ų58.536%0.36133%0.332SS..  trans67.8-3.7-17700000115.9G473 S476G473-G479 CarbonylContact O-C 3.53Å; S476-G479 PolarHBondContact O-N 3.32Å; S476-G479 PolarHBondContact OG-N 2.95Å
480K87.8Confident84.2Confident83 Ų8357.5 Ų57.536%0.36133%0.325SS..SBendtrans-147.2156.9-174.453.2157.5172.3172.40112.2G472 G473 L478 V482 E503G472-K480 WeakPolarHBondContact CA-O 3.38Å; G473-K480 VanDerWaalsContact N-C 3.29Å; G473-K480 PolarHBondContact N-O 3.07Å; L478-K480 WeakPolarHBondContact O-CG 3.25Å; L478-K480 PolarHBondContact O-N 2.97Å; L478-K480 VanDerWaalsContact O-N 3.09Å; K480-V482 HydrophobicContact CD-CG2 4.07Å; K480-V482 HydrophobicContact CG-CG2 4.12Å; K480-E503 HydrophobicContact CB-CG 4.49Å; K480-E503 HydrophobicContact CD-CB 4.2Å; K480-E503 HydrophobicContact CD-CG 3.73Å; K480-E503 WeakPolarHBondContact CD-OE1 3.44Å; K480-E503 WeakPolarHBondContact CD-OE2 3.4Å; K480-E503 WeakPolarHBondContact CE-OE2 3.49Å; K480-E503 IonicContact NZ-OE2 3.27Å; K480-E503 PolarHBondContact NZ-OE2 3.23Å
481L90.8Very high84Confident3 Ų357 Ų572%0.01632%0.322CS..EExtended strand (participates in β ladder)trans-79.3125.9176-65.6168.6000110.4E503 L504 L512 A515 L517L481-E503 CarbonylContact O-C 3.57Å; L481-E503 WeakPolarHBondContact O-CA 3.45Å; L481-L504 HydrophobicContact CB-CB 4.09Å; L481-L504 PolarHBondContact O-N 3.37Å; L481-L512 HydrophobicContact CD1-CB 3.81Å; L481-L512 HydrophobicContact CD1-CD1 4.23Å; L481-A515 HydrophobicContact CD1-CB 4.27Å; L481-L517 HydrophobicContact CD2-CD1 4.02Å
482V90.9Very high83.8Confident14 Ų1452.6 Ų52.69%0.08530%0.302CS..EExtended strand (participates in β ladder)trans-127.4141-177.9-179.10000109.7L470 E471 L478 K480 S484 D502L470-V482 CarbonylContact C-O 3.5Å; L470-V482 WeakPolarHBondContact CA-O 3.36Å; E471-V482 HydrophobicContact CG-CB 4.27Å; E471-V482 PolarHBondContact N-O 3.39Å; E471-V482 PolarHBondContact O-N 2.97Å; L478-V482 HydrophobicContact CD1-CG2 4.41Å; K480-V482 HydrophobicContact CD-CG2 4.07Å; K480-V482 HydrophobicContact CG-CG2 4.12Å; V482-S484 PolarHBondContact O-N 3.27Å; V482-D502 CarbonylContact C-O 3.48Å; V482-D502 WeakPolarHBondContact CA-O 3.47Å
483V91.8Very high83.3Confident1 Ų155.3 Ų55.31%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-73.9108.3173.6-179.60000109I468 A469 L470 V486 I498 P500 G501 D502I468-V483 HydrophobicContact CD1-CB 4.49Å; I468-V483 HydrophobicContact CD1-CG1 3.86Å; I468-V483 HydrophobicContact CD1-CG2 3.8Å; I468-V483 HydrophobicContact CG1-CG1 3.7Å; I468-V483 HydrophobicContact CG1-CG2 4.42Å; A469-V483 CarbonylContact O-C 3.54Å; A469-V483 WeakPolarHBondContact O-CA 3.36Å; L470-V483 HydrophobicContact CD2-CG2 4.14Å; V483-V486 HydrophobicContact CG1-CG2 3.82Å; V483-I498 HydrophobicContact CB-CG2 4.24Å; V483-I498 HydrophobicContact CG1-CG2 3.9Å; V483-I498 HydrophobicContact CG2-CG2 3.81Å; V483-P500 CarbonylContact O-C 3.59Å; V483-P500 VanDerWaalsContact O-CA 3.31Å; V483-P500 WeakPolarHBondContact O-CA 3.39Å; V483-G501 PolarHBondContact O-N 3.47Å; V483-D502 HydrophobicContact CG2-CB 4.4Å; V483-D502 PolarHBondContact N-O 2.61Å
484S88.8Confident83.1Confident37 Ų3760.9 Ų60.926%0.25934%0.337SS..EExtended strand (participates in β ladder)trans-84.6-27.4-179.159.40000113A469 E471 V482A469-S484 VanDerWaalsContact CB-OG 3.3Å; A469-S484 WeakPolarHBondContact CB-OG 3.46Å; A469-S484 PolarHBondContact O-N 3.01Å; A469-S484 PolarHBondContact O-OG 2.72Å; E471-S484 VanDerWaalsContact CD-CB 3.5Å; E471-S484 WeakPolarHBondContact OE2-CB 3.39Å; V482-S484 PolarHBondContact O-N 3.27Å
485S82.8Confident83.1Confident47 Ų4759.4 Ų59.433%0.32932%0.323SS..EExtended strand (participates in β ladder)trans-159.8155.2175.3-75.90000112.2A469A469-S485 PolarHBondContact N-O 3.02Å
486V86.1Confident82.8Confident32 Ų3252.9 Ų52.919%0.19430%0.302CS..EExtended strand (participates in β ladder)trans-128125.6168.7-178.50000105.6I468 V483 A492 D493 I498I468-V486 HydrophobicContact CG1-CG2 4.38Å; V483-V486 HydrophobicContact CG1-CG2 3.82Å; V486-A492 HydrophobicContact CG1-CB 3.87Å; V486-D493 HydrophobicContact CG1-CB 3.95Å; V486-I498 HydrophobicContact CG2-CG2 4.12Å
487Y79.8Confident82.5Confident129 Ų12951.7 Ų51.751%0.50629%0.294SS..  trans-95.5138.7-172.8-55-81.5000112.4D467 A469 G489 G490 D493D467-Y487 HydrophobicContact CB-CD2 4.37Å; D467-Y487 WeakPolarHBondContact O-CD2 3.38Å; D467-Y487 PolarHBondContact O-N 2.89Å; A469-Y487 HydrophobicContact CB-CE2 4.17Å; Y487-G489 PolarHBondContact O-N 3.05Å; Y487-G490 WeakPolarHBondContact O-CA 3.4Å; Y487-G490 PolarHBondContact O-N 3.1Å; Y487-D493 WeakPolarHBondContact O-CB 3.46Å
488E75.9Confident83.2Confident190 Ų19045.1 Ų45.189%0.88825%0.251SS*.THydrogen-bonded Turntrans-58.4130.4-176.9-173.3-177.8174.100112.1G490E488-G490 VanDerWaalsContact C-N 3.27Å
489G74.5Confident83.8Confident39 Ų3944.3 Ų44.340%0.40225%0.249SC..THydrogen-bonded Turntrans83.8-4.1-174.300000114.3Y487 D493 K494Y487-G489 PolarHBondContact O-N 3.05Å; G489-D493 PolarHBondContact N-OD2 3.37Å; G489-K494 WeakPolarHBondContact O-CE 3.48Å; G489-K494 PolarHBondContact O-NZ 3.36Å
490G83.2Confident83.9Confident0 Ų046.1 Ų46.10%026%0.255CS..SBendtrans-64165.1172.300000114.4D467 Y487 E488 K494D467-G490 VanDerWaalsContact CB-CA 3.47Å; D467-G490 WeakPolarHBondContact OD2-CA 3.5Å; Y487-G490 WeakPolarHBondContact O-CA 3.4Å; Y487-G490 PolarHBondContact O-N 3.1Å; E488-G490 VanDerWaalsContact C-N 3.27Å; G490-K494 WeakPolarHBondContact O-CB 3.34Å; G490-K494 WeakPolarHBondContact O-CD 3.42Å; G490-K494 WeakPolarHBondContact O-CG 3.37Å; G490-K494 PolarHBondContact O-N 2.91Å
491A84.3Confident83.6Confident3 Ų343 Ų433%0.02525%0.246CC..Hα-helixtrans-72.9-34.6174.200000112.8I460 Q465 L466 H495 W528I460-A491 HydrophobicContact CG2-CB 4.27Å; Q465-A491 WeakPolarHBondContact O-CB 3.37Å; Q465-A491 PolarHBondContact O-N 2.85Å; L466-A491 PolarHBondContact O-N 2.93Å; A491-H495 PolarHBondContact O-N 3.43Å; A491-W528 HydrophobicContact CB-CH2 3.32Å; A491-W528 HydrophobicContact CB-CZ2 3.75Å; A491-W528 HydrophobicContact CB-CZ3 4.4Å
492A85.6Confident83.6Confident0 Ų043 Ų430%025%0.246CC..Hα-helixtrans-63.9-40.717100000111.9L466 I468 V486 H495 G496L466-A492 HydrophobicContact CD1-CB 4.12Å; L466-A492 WeakPolarHBondContact O-CB 3.33Å; L466-A492 PolarHBondContact O-N 3.44Å; L466-A492 VanDerWaalsContact O-N 3.11Å; I468-A492 HydrophobicContact CB-CB 4.38Å; V486-A492 HydrophobicContact CG1-CB 3.87Å; A492-H495 PolarHBondContact O-N 2.97Å; A492-G496 PolarHBondContact O-N 3.33Å
493D82.1Confident83.7Confident69 Ų6943 Ų4337%0.36925%0.245SC..Hα-helixtrans-61.5-50.4173.617658.4000112.1V486 Y487 G489 H495 G496V486-D493 HydrophobicContact CG1-CB 3.95Å; Y487-D493 WeakPolarHBondContact O-CB 3.46Å; G489-D493 PolarHBondContact N-OD2 3.37Å; D493-H495 PolarHBondContact O-N 3.1Å; D493-G496 WeakPolarHBondContact O-CA 3.44Å; D493-G496 PolarHBondContact O-N 3.11Å
494K81Confident83.8Confident118 Ų11843.2 Ų43.251%0.51325%0.246SC..Hα-helixtrans-59.1-29.9175.3-71.7161.3-175.6140.70113.6A463 G489 G490A463-K494 PolarHBondContact O-NZ 3.36Å; G489-K494 WeakPolarHBondContact O-CE 3.48Å; G489-K494 PolarHBondContact O-NZ 3.36Å; G490-K494 WeakPolarHBondContact O-CB 3.34Å; G490-K494 WeakPolarHBondContact O-CD 3.42Å; G490-K494 WeakPolarHBondContact O-CG 3.37Å; G490-K494 PolarHBondContact O-N 2.91Å
495H85.3Confident83.9Confident10 Ų1041.5 Ų41.55%0.04623%0.234CC..Hα-helixtrans-75.9-36171.8-175.8-103.6000111.6K434 I460 A491 A492 D493 G497K434-H495 PolarHBondContact O-CE1 2.89Å; K434-H495 PolarHBondContact O-NE2 3.41Å; I460-H495 HydrophobicContact CG1-CB 4.07Å; I460-H495 HydrophobicContact CG2-CB 4.24Å; A491-H495 PolarHBondContact O-N 3.43Å; A492-H495 PolarHBondContact O-N 2.97Å; D493-H495 PolarHBondContact O-N 3.1Å; H495-G497 PolarHBondContact O-N 2.87Å
496G78.6Confident84.3Confident33 Ų3339.2 Ų39.234%0.3422%0.218SC..THydrogen-bonded Turntrans62.913.4174.400000114.5K434 A492 D493K434-G496 VanDerWaalsContact CE-C 3.41Å; K434-G496 WeakPolarHBondContact CE-O 3.24Å; K434-G496 PolarHBondContact NZ-O 3.38Å; A492-G496 PolarHBondContact O-N 3.33Å; D493-G496 WeakPolarHBondContact O-CA 3.44Å; D493-G496 PolarHBondContact O-N 3.11Å
497G78Confident84.6Confident4 Ų437.9 Ų37.94%0.04121%0.21CC..  trans-95.4-9.9-178.600000114.8H495H495-G497 PolarHBondContact O-N 2.87Å
498I85.3Confident85.1Confident8 Ų835.2 Ų35.24%0.04121%0.205CC..  trans-112.2141.5173.4-60.1-179000108.4L458 I460 I468 V483 V486 V537L458-I498 HydrophobicContact CD1-CD1 3.97Å; L458-I498 HydrophobicContact CD1-CG1 3.26Å; I460-I498 HydrophobicContact CD1-CD1 3.71Å; I460-I498 HydrophobicContact CD1-CG1 4.45Å; I468-I498 HydrophobicContact CD1-CD1 3.83Å; I468-I498 HydrophobicContact CD1-CG2 4.02Å; V483-I498 HydrophobicContact CB-CG2 4.24Å; V483-I498 HydrophobicContact CG1-CG2 3.9Å; V483-I498 HydrophobicContact CG2-CG2 3.81Å; V486-I498 HydrophobicContact CG2-CG2 4.12Å; I498-V537 HydrophobicContact CD1-CG1 4.23Å
499V83.8Confident85.3Confident75 Ų7528.7 Ų28.746%0.45519%0.188SC..  trans-129157.1170.5-63.70000112.3G501 D502V499-G501 PolarHBondContact O-N 2.85Å; V499-D502 WeakPolarHBondContact CG2-OD2 3.49Å; V499-D502 PolarHBondContact N-OD2 2.77Å; V499-D502 WeakPolarHBondContact O-CB 3.47Å; V499-D502 PolarHBondContact O-N 3.4Å; V499-D502 VanDerWaalsContact O-N 3.15Å
500P85.8Confident86Confident74 Ų7431 Ų3148%0.48119%0.187SC..THydrogen-bonded Turntrans-60123.1173.7-24.435.3000112.4V483V483-P500 CarbonylContact O-C 3.59Å; V483-P500 VanDerWaalsContact O-CA 3.31Å; V483-P500 WeakPolarHBondContact O-CA 3.39Å
501G82.4Confident86.3Confident17 Ų1734.5 Ų34.518%0.17521%0.205CC..THydrogen-bonded Turntrans113.9-20.2-17300000114.1V483 V499 S542V483-G501 PolarHBondContact O-N 3.47Å; V499-G501 PolarHBondContact O-N 2.85Å; G501-S542 WeakPolarHBondContact O-CB 3.5Å
502D90.1Very high86.6Confident2 Ų234.5 Ų34.51%0.01121%0.205CC..  trans-62.5144.7175.9-69-22.3000111.1V482 V483 V499 I539 V541 S542V482-D502 CarbonylContact C-O 3.48Å; V482-D502 WeakPolarHBondContact CA-O 3.47Å; V483-D502 HydrophobicContact CG2-CB 4.4Å; V483-D502 PolarHBondContact N-O 2.61Å; V499-D502 WeakPolarHBondContact CG2-OD2 3.49Å; V499-D502 PolarHBondContact N-OD2 2.77Å; V499-D502 WeakPolarHBondContact O-CB 3.47Å; V499-D502 PolarHBondContact O-N 3.4Å; V499-D502 VanDerWaalsContact O-N 3.15Å; D502-I539 HydrophobicContact CB-CB 4.42Å; D502-I539 HydrophobicContact CB-CD1 4.09Å; D502-I539 WeakPolarHBondContact OD2-CD1 3.21Å; D502-V541 WeakPolarHBondContact OD1-CA 3.25Å; D502-S542 PolarHBondContact OD1-N 3.23Å
503E92.9Very high86.6Confident15 Ų1536.3 Ų36.37%0.0721%0.214CC..EExtended strand (participates in β ladder)trans-97127.1179.9166.8177.4178.300110.6R453 K480 L481 M505 I539 A540R453-E503 IonicContact CZ-OE1 3.55Å; R453-E503 IonicContact CZ-OE2 3.58Å; R453-E503 IonicContact NH1-OE1 2.76Å; R453-E503 PolarHBondContact NH1-OE1 2.87Å; R453-E503 IonicContact NH1-OE2 3.06Å; R453-E503 PolarHBondContact NH1-OE2 3.01Å; R453-E503 IonicContact NH2-OE1 2.77Å; K480-E503 HydrophobicContact CB-CG 4.49Å; K480-E503 HydrophobicContact CD-CB 4.2Å; K480-E503 HydrophobicContact CD-CG 3.73Å; K480-E503 WeakPolarHBondContact CD-OE1 3.44Å; K480-E503 WeakPolarHBondContact CD-OE2 3.4Å; K480-E503 WeakPolarHBondContact CE-OE2 3.49Å; K480-E503 IonicContact NZ-OE2 3.27Å; K480-E503 PolarHBondContact NZ-OE2 3.23Å; L481-E503 CarbonylContact O-C 3.57Å; L481-E503 WeakPolarHBondContact O-CA 3.45Å; E503-M505 HydrophobicContact CG-CG 4.23Å; E503-M505 PolarHBondContact O-N 2.98Å; E503-I539 CarbonylContact O-C 3.11Å; E503-I539 WeakPolarHBondContact O-CA 3.41Å; E503-I539 WeakPolarHBondContact O-CB 3.36Å; E503-A540 HydrophobicContact CB-CB 4.2Å; E503-A540 PolarHBondContact N-O 3.13Å; E503-A540 PolarHBondContact O-N 3.49Å
504L93.8Very high86.8Confident6 Ų639.1 Ų39.13%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-84111.2-179.6-179.964.8000110.6L470 L481 V507 L512 L524 V537L470-L504 HydrophobicContact CD1-CD2 3.61Å; L470-L504 HydrophobicContact CD2-CB 4.35Å; L470-L504 HydrophobicContact CD2-CD2 3.97Å; L470-L504 HydrophobicContact CG-CD2 4.42Å; L481-L504 HydrophobicContact CB-CB 4.09Å; L481-L504 PolarHBondContact O-N 3.37Å; L504-V507 HydrophobicContact CD1-CG2 3.81Å; L504-V507 HydrophobicContact CD2-CG2 4.01Å; L504-V507 HydrophobicContact CG-CG2 4.26Å; L504-L512 HydrophobicContact CD2-CD1 3.8Å; L504-L512 HydrophobicContact CG-CD1 4.07Å; L504-L524 HydrophobicContact CD2-CD1 4.09Å; L504-L524 HydrophobicContact CD2-CD2 4.36Å; L504-L524 HydrophobicContact CD2-CG 4.09Å; L504-V537 HydrophobicContact CD1-CG1 3.46Å; L504-V537 VanDerWaalsContact CD1-CG1 3.46Å
505M91Very high87.2Confident0 Ų033.9 Ų33.90%021%0.208CC..EExtended strand (participates in β ladder)trans-100.9-33.1-174.7-63.5-167.56800114.1F445 I450 V455 E503 L512 I513 V538 A540F445-M505 HydrophobicContact CD1-CE 4.06Å; F445-M505 HydrophobicContact CD2-CE 4.36Å; F445-M505 HydrophobicContact CE1-CB 4.19Å; F445-M505 HydrophobicContact CE1-CE 4.03Å; F445-M505 HydrophobicContact CE2-CE 4.35Å; F445-M505 HydrophobicContact CG-CE 4.22Å; F445-M505 HydrophobicContact CZ-CB 3.81Å; F445-M505 HydrophobicContact CZ-CE 4.18Å; I450-M505 HydrophobicContact CG2-CE 3.97Å; V455-M505 HydrophobicContact CG1-SD 3.92Å; V455-M505 HydrophobicContact CG2-SD 3.8Å; E503-M505 HydrophobicContact CG-CG 4.23Å; E503-M505 PolarHBondContact O-N 2.98Å; M505-L512 PolarHBondContact O-N 3.4Å; M505-I513 HydrophobicContact CE-CD1 3.71Å; M505-I513 HydrophobicContact CE-CG1 4.17Å; M505-V538 PolarHBondContact N-O 2.89Å; M505-A540 HydrophobicContact CG-CB 4.25Å; M505-A540 HydrophobicContact SD-CB 3.61Å
506A91.2Very high87.5Confident0 Ų034.9 Ų34.90%021%0.214CC..EExtended strand (participates in β ladder)trans-156.7157.4175.100000112.9M444 F445 K510 V538M444-A506 HydrophobicContact CE-CB 3.93Å; F445-A506 HydrophobicContact CZ-CB 4.17Å; A506-K510 CarbonylContact C-O 3.07Å; A506-K510 WeakPolarHBondContact CA-O 3.36Å; A506-K510 VanDerWaalsContact CB-O 3.29Å; A506-K510 WeakPolarHBondContact CB-O 3.41Å; A506-V538 HydrophobicContact CB-CB 3.98Å; A506-V538 HydrophobicContact CB-CG2 3.98Å; A506-V538 PolarHBondContact N-O 3.2Å; A506-V538 PolarHBondContact O-N 3.09Å
507V92.9Very high88Confident3 Ų336 Ų362%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-139.6127.5176.21780000109.6L504 G509 K510 L512 L524 A527 I535 D536L504-V507 HydrophobicContact CD1-CG2 3.81Å; L504-V507 HydrophobicContact CD2-CG2 4.01Å; L504-V507 HydrophobicContact CG-CG2 4.26Å; V507-G509 PolarHBondContact O-N 3.48Å; V507-K510 PolarHBondContact N-O 3Å; V507-K510 WeakPolarHBondContact O-CB 3.34Å; V507-K510 PolarHBondContact O-N 2.7Å; V507-L512 HydrophobicContact CB-CD1 4.19Å; V507-L512 HydrophobicContact CG2-CD1 3.61Å; V507-L524 HydrophobicContact CG1-CD2 4.09Å; V507-L524 HydrophobicContact CG2-CD2 3.55Å; V507-L524 HydrophobicContact CG2-CG 4.16Å; V507-A527 HydrophobicContact CG1-CB 3.35Å; V507-I535 HydrophobicContact CG1-CD1 3.85Å; V507-I535 HydrophobicContact CG1-CG1 4.15Å; V507-D536 CarbonylContact C-O 3.57Å; V507-D536 WeakPolarHBondContact CA-O 3.46Å
508N88.8Confident88.6Confident74 Ų7442.2 Ų42.240%0.39624%0.24SC..THydrogen-bonded Turntrans42.349.1-174.8-73.410.5000112.5K510 A527 I535 D536N508-K510 PolarHBondContact O-N 3.42Å; N508-K510 VanDerWaalsContact O-N 3.12Å; N508-A527 HydrophobicContact CB-CB 4.22Å; N508-I535 WeakPolarHBondContact OD1-CG1 3.46Å; N508-D536 PolarHBondContact N-O 3.24Å; N508-D536 PolarHBondContact OD1-N 3.2Å
509G80.8Confident88.8Confident52 Ų5245.9 Ų45.954%0.53626%0.258SS..THydrogen-bonded Turntrans77.3-19.7-178.100000115.8M444 V507 I511M444-G509 WeakPolarHBondContact CE-O 3.37Å; V507-G509 PolarHBondContact O-N 3.48Å; G509-I511 PolarHBondContact O-N 2.91Å
510K88.8Confident89.2Confident87 Ų8742.3 Ų42.338%0.37824%0.236SC..EExtended strand (participates in β ladder)trans-71.3116.7174.7-175.3-169.6168.6-167.70110.1A506 V507 N508 L512 S523A506-K510 CarbonylContact C-O 3.07Å; A506-K510 WeakPolarHBondContact CA-O 3.36Å; A506-K510 VanDerWaalsContact CB-O 3.29Å; A506-K510 WeakPolarHBondContact CB-O 3.41Å; V507-K510 PolarHBondContact N-O 3Å; V507-K510 WeakPolarHBondContact O-CB 3.34Å; V507-K510 PolarHBondContact O-N 2.7Å; N508-K510 PolarHBondContact O-N 3.42Å; N508-K510 VanDerWaalsContact O-N 3.12Å; K510-L512 HydrophobicContact CD-CD2 3.95Å; K510-L512 HydrophobicContact CG-CD2 4.28Å; K510-S523 PolarHBondContact NZ-OG 2.89Å
511I89.7Confident89.5Confident74 Ų7443.2 Ų43.238%0.37923%0.233SC..EExtended strand (participates in β ladder)trans-66.1138171.2-63.6171.3000110M444 F445 G509 I513M444-I511 HydrophobicContact CE-CG1 4.31Å; M444-I511 VanDerWaalsContact O-CD1 3.31Å; M444-I511 WeakPolarHBondContact O-CD1 3.4Å; F445-I511 HydrophobicContact CD1-CD1 4.46Å; F445-I511 HydrophobicContact CE1-CD1 4.39Å; F445-I511 HydrophobicContact CE1-CG1 4.02Å; F445-I511 HydrophobicContact CE1-CG2 4.15Å; G509-I511 PolarHBondContact O-N 2.91Å; I511-I513 HydrophobicContact CG2-CB 3.93Å; I511-I513 HydrophobicContact CG2-CD1 4.23Å; I511-I513 HydrophobicContact CG2-CG1 3.96Å
512L90.9Very high89.9Confident3 Ų345.7 Ų45.72%0.01624%0.243CC..  trans-123.613.2179.9-58.3176.9000113.2L481 L504 M505 V507 K510 D514 A515L481-L512 HydrophobicContact CD1-CB 3.81Å; L481-L512 HydrophobicContact CD1-CD1 4.23Å; L504-L512 HydrophobicContact CD2-CD1 3.8Å; L504-L512 HydrophobicContact CG-CD1 4.07Å; M505-L512 PolarHBondContact O-N 3.4Å; V507-L512 HydrophobicContact CB-CD1 4.19Å; V507-L512 HydrophobicContact CG2-CD1 3.61Å; K510-L512 HydrophobicContact CD-CD2 3.95Å; K510-L512 HydrophobicContact CG-CD2 4.28Å; L512-D514 PolarHBondContact O-N 2.86Å; L512-A515 HydrophobicContact CB-CB 4.13Å; L512-A515 HydrophobicContact CD2-CB 4.2Å; L512-A515 WeakPolarHBondContact O-CB 3.43Å; L512-A515 PolarHBondContact O-N 3.47Å
513I85.8Confident90Very high39 Ų3945.9 Ų45.920%0.225%0.245CC..THydrogen-bonded Turntrans-58.1135.7162.4-59.3175.4000107.9F445 Q449 M505 I511 A515F445-I513 HydrophobicContact CD1-CD1 3.52Å; F445-I513 HydrophobicContact CE1-CD1 3.81Å; F445-I513 HydrophobicContact CE1-CG1 4.38Å; Q449-I513 HydrophobicContact CB-CD1 4.06Å; Q449-I513 HydrophobicContact CG-CD1 4.01Å; M505-I513 HydrophobicContact CE-CD1 3.71Å; M505-I513 HydrophobicContact CE-CG1 4.17Å; I511-I513 HydrophobicContact CG2-CB 3.93Å; I511-I513 HydrophobicContact CG2-CD1 4.23Å; I511-I513 HydrophobicContact CG2-CG1 3.96Å; I513-A515 PolarHBondContact O-N 2.98Å; I513-A515 VanDerWaalsContact O-N 3.13Å
514D87.2Confident89.8Confident127 Ų12745.8 Ų45.868%0.67924%0.244SC*.THydrogen-bonded Turntrans58.214.8-175.9-53-37.3000116A474 L512A474-D514 VanDerWaalsContact CB-O 3.23Å; A474-D514 WeakPolarHBondContact CB-O 3.23Å; L512-D514 PolarHBondContact O-N 2.86Å
515A87.8Confident89.5Confident8 Ų847.6 Ų47.67%0.06626%0.26CS..  trans-79.8152.6174.800000113G473 A474 L481 L512 I513 E519G473-A515 CarbonylContact C-O 3.55Å; G473-A515 WeakPolarHBondContact CA-O 3.41Å; A474-A515 PolarHBondContact N-O 3.27Å; L481-A515 HydrophobicContact CD1-CB 4.27Å; L512-A515 HydrophobicContact CB-CB 4.13Å; L512-A515 HydrophobicContact CD2-CB 4.2Å; L512-A515 WeakPolarHBondContact O-CB 3.43Å; L512-A515 PolarHBondContact O-N 3.47Å; I513-A515 PolarHBondContact O-N 2.98Å; I513-A515 VanDerWaalsContact O-N 3.13Å; A515-E519 WeakPolarHBondContact CA-OE2 3.47Å; A515-E519 HydrophobicContact CB-CB 4.16Å
516T91.8Very high89.4Confident31 Ų3155.2 Ų55.219%0.1929%0.289CS..  trans-74165.6173.982.20000112.1E475 E518 E519 G520E475-T516 HydrophobicContact CG-CG2 4.16Å; E475-T516 WeakPolarHBondContact OE2-CG2 3.31Å; T516-E518 VanDerWaalsContact C-N 3.31Å; T516-E518 PolarHBondContact O-N 3.49Å; T516-E518 PolarHBondContact OG1-N 2.82Å; T516-E519 HydrophobicContact CG2-CG 4.48Å; T516-E519 PolarHBondContact N-OE2 3.08Å; T516-E519 PolarHBondContact O-N 3.36Å; T516-E519 WeakPolarHBondContact OG1-CG 3.28Å; T516-E519 PolarHBondContact OG1-N 2.9Å; T516-E519 VanDerWaalsContact OG1-N 3.08Å; T516-G520 PolarHBondContact O-N 3.38Å
517L90.1Very high89.2Confident57 Ų5755.6 Ų55.630%0.29829%0.292SS..Hα-helixtrans-60.4-42.5176.1-174.356.4000112L470 G472 L481 G520 Q521L470-L517 HydrophobicContact CB-CD1 3.92Å; G472-L517 WeakPolarHBondContact O-CB 3.41Å; L481-L517 HydrophobicContact CD2-CD1 4.02Å; L517-G520 PolarHBondContact O-N 3.37Å; L517-Q521 HydrophobicContact CD1-CG 4.3Å; L517-Q521 WeakPolarHBondContact O-CB 3.46Å; L517-Q521 VanDerWaalsContact O-CG 3.3Å; L517-Q521 WeakPolarHBondContact O-CG 3.33Å; L517-Q521 PolarHBondContact O-N 3.06Å
518E90.6Very high88.9Confident134 Ų13457 Ų5763%0.62630%0.297SS*.Hα-helixtrans-64.4-42.7176.2177.7171.9-177.300110.9T516 G520 Q521 N522T516-E518 VanDerWaalsContact C-N 3.31Å; T516-E518 PolarHBondContact O-N 3.49Å; T516-E518 PolarHBondContact OG1-N 2.82Å; E518-G520 VanDerWaalsContact C-N 3.35Å; E518-G520 PolarHBondContact O-N 3.45Å; E518-Q521 PolarHBondContact O-N 2.93Å; E518-N522 WeakPolarHBondContact CG-ND2 3.14Å; E518-N522 WeakPolarHBondContact O-CB 3.37Å; E518-N522 VanDerWaalsContact O-CG 3.25Å; E518-N522 PolarHBondContact O-N 2.97Å; E518-N522 PolarHBondContact O-ND2 3.31Å; E518-N522 PolarHBondContact OE1-ND2 3.15Å
519E89.4Confident88.7Confident86 Ų8659.8 Ų59.840%0.40231%0.312SS..Hα-helixtrans-63-40.2175.4-72.6-176.4125.800112.5A515 T516 S523A515-E519 WeakPolarHBondContact CA-OE2 3.47Å; A515-E519 HydrophobicContact CB-CB 4.16Å; T516-E519 HydrophobicContact CG2-CG 4.48Å; T516-E519 PolarHBondContact N-OE2 3.08Å; T516-E519 PolarHBondContact O-N 3.36Å; T516-E519 WeakPolarHBondContact OG1-CG 3.28Å; T516-E519 PolarHBondContact OG1-N 2.9Å; T516-E519 VanDerWaalsContact OG1-N 3.08Å; E519-S523 VanDerWaalsContact O-CB 3.23Å; E519-S523 WeakPolarHBondContact O-CB 3.43Å; E519-S523 PolarHBondContact O-N 2.87Å; E519-S523 PolarHBondContact O-OG 2.91Å
520G91.2Very high88.8Confident0 Ų059.2 Ų59.20%030%0.3CS..Hα-helixtrans-63-51.1175.400000112.1T516 L517 E518 S523 L524T516-G520 PolarHBondContact O-N 3.38Å; L517-G520 PolarHBondContact O-N 3.37Å; E518-G520 VanDerWaalsContact C-N 3.35Å; E518-G520 PolarHBondContact O-N 3.45Å; G520-S523 PolarHBondContact O-N 2.84Å; G520-S523 VanDerWaalsContact O-N 3.17Å; G520-L524 PolarHBondContact O-N 3.24Å
521Q91.8Very high88Confident92 Ų9256.4 Ų56.443%0.4330%0.296SS..Hα-helixtrans-61.8-46177.3-71.3176.3-1.200111.8L470 L517 E518 S523 L524 A525L470-Q521 HydrophobicContact CB-CG 4.43Å; L470-Q521 HydrophobicContact CD1-CG 4.44Å; L517-Q521 HydrophobicContact CD1-CG 4.3Å; L517-Q521 WeakPolarHBondContact O-CB 3.46Å; L517-Q521 VanDerWaalsContact O-CG 3.3Å; L517-Q521 WeakPolarHBondContact O-CG 3.33Å; L517-Q521 PolarHBondContact O-N 3.06Å; E518-Q521 PolarHBondContact O-N 2.93Å; Q521-S523 PolarHBondContact O-N 2.6Å; Q521-L524 PolarHBondContact O-N 2.79Å; Q521-A525 VanDerWaalsContact O-CB 3.3Å; Q521-A525 WeakPolarHBondContact O-CB 3.37Å; Q521-A525 PolarHBondContact O-N 3.36Å
522N91.4Very high87.5Confident69 Ų6953.6 Ų53.637%0.36929%0.285SS..Hα-helixtrans-68.9-19.4176.4-72.5-23000113E518 R526E518-N522 WeakPolarHBondContact CG-ND2 3.14Å; E518-N522 WeakPolarHBondContact O-CB 3.37Å; E518-N522 VanDerWaalsContact O-CG 3.25Å; E518-N522 PolarHBondContact O-N 2.97Å; E518-N522 PolarHBondContact O-ND2 3.31Å; E518-N522 PolarHBondContact OE1-ND2 3.15Å; N522-R526 WeakPolarHBondContact O-CB 3.21Å; N522-R526 WeakPolarHBondContact O-CG 3.27Å; N522-R526 PolarHBondContact O-N 2.86Å; N522-R526 PolarHBondContact O-NE 3.39Å
523S91.6Very high87.1Confident7 Ų755.8 Ų55.85%0.04930%0.297CS..Hα-helixtrans-82.3-42.8173-56.60000111.2K510 E519 G520 Q521 A527K510-S523 PolarHBondContact NZ-OG 2.89Å; E519-S523 VanDerWaalsContact O-CB 3.23Å; E519-S523 WeakPolarHBondContact O-CB 3.43Å; E519-S523 PolarHBondContact O-N 2.87Å; E519-S523 PolarHBondContact O-OG 2.91Å; G520-S523 PolarHBondContact O-N 2.84Å; G520-S523 VanDerWaalsContact O-N 3.17Å; Q521-S523 PolarHBondContact O-N 2.6Å; S523-A527 WeakPolarHBondContact O-CB 3.38Å; S523-A527 PolarHBondContact O-N 3.37Å
524L89.4Confident87Confident12 Ų1255.7 Ų55.76%0.06329%0.294CS..Hα-helixtrans-61-46.1169.9-78.7-179000112L466 I468 L470 L504 V507 G520 Q521 R526 A527 W528 I535L466-L524 HydrophobicContact CD2-CB 4.41Å; L466-L524 HydrophobicContact CD2-CD1 4.36Å; L466-L524 HydrophobicContact CD2-CD2 4.05Å; I468-L524 HydrophobicContact CG2-CD1 3.8Å; L470-L524 HydrophobicContact CD1-CD1 3.62Å; L470-L524 HydrophobicContact CD1-CG 4.41Å; L470-L524 HydrophobicContact CD2-CD1 4.25Å; L470-L524 HydrophobicContact CG-CD1 3.88Å; L504-L524 HydrophobicContact CD2-CD1 4.09Å; L504-L524 HydrophobicContact CD2-CD2 4.36Å; L504-L524 HydrophobicContact CD2-CG 4.09Å; V507-L524 HydrophobicContact CG1-CD2 4.09Å; V507-L524 HydrophobicContact CG2-CD2 3.55Å; V507-L524 HydrophobicContact CG2-CG 4.16Å; G520-L524 PolarHBondContact O-N 3.24Å; Q521-L524 PolarHBondContact O-N 2.79Å; L524-R526 PolarHBondContact O-N 3.22Å; L524-A527 PolarHBondContact O-N 2.92Å; L524-W528 WeakPolarHBondContact O-CB 3.48Å; L524-W528 PolarHBondContact O-N 3.47Å; L524-I535 HydrophobicContact CD2-CD1 4.16Å
525A87.6Confident87.1Confident44 Ų4449.6 Ų49.636%0.36426%0.261SS..Hα-helixtrans-63.3-43.2-179.200000112.1Q521 W528 N529Q521-A525 VanDerWaalsContact O-CB 3.3Å; Q521-A525 WeakPolarHBondContact O-CB 3.37Å; Q521-A525 PolarHBondContact O-N 3.36Å; A525-W528 PolarHBondContact O-N 2.71Å; A525-N529 VanDerWaalsContact O-CB 3.3Å; A525-N529 WeakPolarHBondContact O-CB 3.41Å; A525-N529 PolarHBondContact O-N 3.46Å; A525-N529 PolarHBondContact O-ND2 3.17Å
526R87.8Confident87.1Confident160 Ų16051.2 Ų51.260%0.60427%0.269SS*.Hα-helixtrans-64.6-45.4173.9-80.7179.9-74.3-171.9-8.1112.3N522 L524 W528 N529 S530N522-R526 WeakPolarHBondContact O-CB 3.21Å; N522-R526 WeakPolarHBondContact O-CG 3.27Å; N522-R526 PolarHBondContact O-N 2.86Å; N522-R526 PolarHBondContact O-NE 3.39Å; L524-R526 PolarHBondContact O-N 3.22Å; R526-W528 VanDerWaalsContact C-N 3.29Å; R526-W528 PolarHBondContact O-N 2.8Å; R526-N529 CarbonylContact O-C 3.6Å; R526-N529 PolarHBondContact O-N 3.43Å; R526-S530 WeakPolarHBondContact O-CB 3.34Å; R526-S530 PolarHBondContact O-N 2.83Å
527A88Confident87.1Confident9 Ų949.8 Ų49.87%0.07426%0.26CS..Hα-helixtrans-71.3-21.6179.800000114.1K462 V507 N508 S523 L524 S530 I535K462-A527 VanDerWaalsContact CE-O 3.24Å; K462-A527 WeakPolarHBondContact CE-O 3.43Å; K462-A527 PolarHBondContact NZ-O 3.32Å; V507-A527 HydrophobicContact CG1-CB 3.35Å; N508-A527 HydrophobicContact CB-CB 4.22Å; S523-A527 WeakPolarHBondContact O-CB 3.38Å; S523-A527 PolarHBondContact O-N 3.37Å; L524-A527 PolarHBondContact O-N 2.92Å; A527-S530 PolarHBondContact O-OG 3.08Å; A527-I535 HydrophobicContact CB-CD1 3.6Å; A527-I535 HydrophobicContact CB-CG1 3.89Å
528W87.3Confident87.2Confident32 Ų3247.3 Ų47.312%0.12125%0.248CC..Hα-helixtrans-77.6-37.9169.3-163-104.7000112.1I460 K462 G464 L466 A491 L524 A525 R526 I535I460-W528 HydrophobicContact CG2-CH2 4.34Å; I460-W528 HydrophobicContact CG2-CZ3 4.14Å; K462-W528 HydrophobicContact CB-CH2 4.26Å; K462-W528 HydrophobicContact CB-CZ2 4.31Å; K462-W528 VanDerWaalsContact CD-O 3.32Å; K462-W528 WeakPolarHBondContact CD-O 3.35Å; K462-W528 VanDerWaalsContact CE-O 3.23Å; K462-W528 WeakPolarHBondContact CE-O 3.45Å; K462-W528 HydrophobicContact CG-CD2 4.31Å; K462-W528 HydrophobicContact CG-CE3 4.04Å; K462-W528 HydrophobicContact CG-CH2 4.15Å; K462-W528 HydrophobicContact CG-CZ2 4.41Å; K462-W528 HydrophobicContact CG-CZ3 3.94Å; K462-W528 PolarHBondContact NZ-O 2.99Å; G464-W528 WeakPolarHBondContact O-CZ2 3.39Å; G464-W528 PolarHBondContact O-NE1 3.18Å; L466-W528 HydrophobicContact CB-CD2 3.71Å; L466-W528 HydrophobicContact CB-CE3 3.87Å; L466-W528 HydrophobicContact CB-CG 4.22Å; L466-W528 HydrophobicContact CB-CH2 4.24Å; L466-W528 HydrophobicContact CB-CZ2 4.1Å; L466-W528 HydrophobicContact CB-CZ3 4.15Å; L466-W528 HydrophobicContact CD1-CE3 3.86Å; L466-W528 HydrophobicContact CD1-CH2 4.06Å; L466-W528 HydrophobicContact CD1-CZ3 3.58Å; L466-W528 HydrophobicContact CD2-CE3 4.2Å; L466-W528 HydrophobicContact CG-CD2 4.48Å; L466-W528 HydrophobicContact CG-CE3 4.17Å; L466-W528 HydrophobicContact CG-CZ3 4.32Å; A491-W528 HydrophobicContact CB-CH2 3.32Å; A491-W528 HydrophobicContact CB-CZ2 3.75Å; A491-W528 HydrophobicContact CB-CZ3 4.4Å; L524-W528 WeakPolarHBondContact O-CB 3.48Å; L524-W528 PolarHBondContact O-N 3.47Å; A525-W528 PolarHBondContact O-N 2.71Å; R526-W528 VanDerWaalsContact C-N 3.29Å; R526-W528 PolarHBondContact O-N 2.8Å; W528-I535 HydrophobicContact CE3-CB 4.24Å; W528-I535 HydrophobicContact CE3-CD1 4.29Å; W528-I535 HydrophobicContact CE3-CG2 3.73Å; W528-I535 HydrophobicContact CZ3-CB 4.43Å; W528-I535 HydrophobicContact CZ3-CG2 3.55Å
529N84.1Confident87.3Confident132 Ų13241 Ų4171%0.70622%0.218SC*.Hα-helixtrans-93.3-4.3-176-62.5-21.2000114.4A525 R526A525-N529 VanDerWaalsContact O-CB 3.3Å; A525-N529 WeakPolarHBondContact O-CB 3.41Å; A525-N529 PolarHBondContact O-N 3.46Å; A525-N529 PolarHBondContact O-ND2 3.17Å; R526-N529 CarbonylContact O-C 3.6Å; R526-N529 PolarHBondContact O-N 3.43Å
530S82.1Confident87.3Confident41 Ų4137.1 Ų37.129%0.28720%0.201SC..SBendtrans-66.3172.4171.472.40000111.8K462 R526 A527K462-S530 PolarHBondContact NZ-O 2.91Å; K462-S530 PolarHBondContact NZ-OG 3.03Å; R526-S530 WeakPolarHBondContact O-CB 3.34Å; R526-S530 PolarHBondContact O-N 2.83Å; A527-S530 PolarHBondContact O-OG 3.08Å
531G71.8Confident87.1Confident28 Ų2839.1 Ų39.129%0.28921%0.213SC..SBendtrans-57.5169.3162.600000113.3D425 K462D425-G531 PolarHBondContact OD1-N 3.42Å; K462-G531 PolarHBondContact NZ-O 3.45Å
532G79.3Confident86.4Confident15 Ų1536.6 Ų36.616%0.15521%0.205CC..SBendtrans85.8142177.300000113.5E427 K462 W534E427-G532 WeakPolarHBondContact OE1-CA 3.45Å; E427-G532 PolarHBondContact OE1-N 2.84Å; K462-G532 WeakPolarHBondContact CD-O 3.4Å; K462-G532 VanDerWaalsContact CE-O 3.23Å; K462-G532 WeakPolarHBondContact CE-O 3.41Å; K462-G532 PolarHBondContact NZ-O 3.24Å; G532-W534 PolarHBondContact O-N 3.38Å; G532-W534 VanDerWaalsContact O-N 3.15Å
533D83.1Confident84.8Confident49 Ų4938.1 Ų38.126%0.26222%0.219SC..SBendtrans-75-0-172.3-176.557.1000113.3D428 K461 K462D428-D533 WeakPolarHBondContact OD1-CB 3.27Å; D428-D533 PolarHBondContact OD1-N 3.47Å; D428-D533 VanDerWaalsContact OD2-CB 3.31Å; D428-D533 WeakPolarHBondContact OD2-CB 3.3Å; K461-D533 WeakPolarHBondContact CE-OD1 3.34Å; K461-D533 WeakPolarHBondContact CE-OD2 3.46Å; K461-D533 WeakPolarHBondContact CG-O 3.41Å; K461-D533 IonicContact NZ-OD1 3.51Å; K461-D533 PolarHBondContact NZ-OD1 3.22Å; K461-D533 IonicContact NZ-OD2 3.52Å; K461-D533 PolarHBondContact NZ-OD2 2.93Å; K462-D533 PolarHBondContact N-O 3.46Å
534W84Confident82.8Confident36 Ų3643.2 Ų43.214%0.13625%0.252CS..EExtended strand (participates in β ladder)trans-140.6159.7-171.3-55.877.4000112.8F432 K459 I460 K461 K462 G532F432-W534 HydrophobicContact CB-CH2 4.39Å; F432-W534 AromaticContact CD2-CH2 3.92Å; F432-W534 HydrophobicContact CD2-CH2 3.92Å; F432-W534 HydrophobicContact CD2-CZ3 4.06Å; K459-W534 HydrophobicContact CB-CE3 4.13Å; K459-W534 WeakPolarHBondContact O-CZ3 3.26Å; I460-W534 CarbonylContact O-C 3.55Å; I460-W534 WeakPolarHBondContact O-CA 3.48Å; K461-W534 HydrophobicContact CB-CD2 4.16Å; K461-W534 HydrophobicContact CB-CE3 3.79Å; K461-W534 HydrophobicContact CB-CH2 4Å; K461-W534 HydrophobicContact CB-CZ2 4.3Å; K461-W534 HydrophobicContact CB-CZ3 3.72Å; K461-W534 HydrophobicContact CD-CH2 4.32Å; K461-W534 HydrophobicContact CD-CZ2 4.04Å; K461-W534 HydrophobicContact CG-CD2 4.49Å; K461-W534 HydrophobicContact CG-CZ2 4.38Å; K462-W534 WeakPolarHBondContact CE-O 3.3Å; G532-W534 PolarHBondContact O-N 3.38Å; G532-W534 VanDerWaalsContact O-N 3.15Å
535I89.6Confident80.7Confident0 Ų049.7 Ų49.70%028%0.28CS..EExtended strand (participates in β ladder)trans-124.6134.8166.2-171.5178.2000109.5I460 V507 N508 L524 A527 W528 V537I460-I535 HydrophobicContact CB-CG2 3.71Å; I460-I535 HydrophobicContact CG2-CG2 4.32Å; I460-I535 PolarHBondContact N-O 3.02Å; I460-I535 PolarHBondContact O-N 3.41Å; V507-I535 HydrophobicContact CG1-CD1 3.85Å; V507-I535 HydrophobicContact CG1-CG1 4.15Å; N508-I535 WeakPolarHBondContact OD1-CG1 3.46Å; L524-I535 HydrophobicContact CD2-CD1 4.16Å; A527-I535 HydrophobicContact CB-CD1 3.6Å; A527-I535 HydrophobicContact CB-CG1 3.89Å; W528-I535 HydrophobicContact CE3-CB 4.24Å; W528-I535 HydrophobicContact CE3-CD1 4.29Å; W528-I535 HydrophobicContact CE3-CG2 3.73Å; W528-I535 HydrophobicContact CZ3-CB 4.43Å; W528-I535 HydrophobicContact CZ3-CG2 3.55Å; I535-V537 HydrophobicContact CD1-CG2 4.17Å; I535-V537 HydrophobicContact CG1-CG2 4.02Å; I535-V537 HydrophobicContact CG2-CG2 4.12Å
536D87.7Confident78.2Confident41 Ų4154.8 Ų54.822%0.21930%0.301CS..EExtended strand (participates in β ladder)trans-96.4116.8177.8-84.129.7000109.1L457 L458 K459 V507 N508L457-D536 HydrophobicContact CD1-CB 3.98Å; L458-D536 WeakPolarHBondContact O-CA 3.41Å; K459-D536 WeakPolarHBondContact CG-OD1 3.46Å; K459-D536 IonicContact NZ-OD1 2.62Å; K459-D536 PolarHBondContact NZ-OD1 2.84Å; K459-D536 IonicContact NZ-OD2 2.71Å; K459-D536 PolarHBondContact NZ-OD2 2.71Å; V507-D536 CarbonylContact C-O 3.57Å; V507-D536 WeakPolarHBondContact CA-O 3.46Å; N508-D536 PolarHBondContact N-O 3.24Å; N508-D536 PolarHBondContact OD1-N 3.2Å
537V92Very high76Confident2 Ų256.7 Ų56.71%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-125.3122.2-174.8-176.10000109.5L458 I460 I498 L504 I535 I539L458-V537 WeakPolarHBondContact CB-O 3.29Å; L458-V537 PolarHBondContact N-O 2.75Å; L458-V537 PolarHBondContact O-N 2.68Å; I460-V537 HydrophobicContact CD1-CG2 4.24Å; I498-V537 HydrophobicContact CD1-CG1 4.23Å; L504-V537 HydrophobicContact CD1-CG1 3.46Å; L504-V537 VanDerWaalsContact CD1-CG1 3.46Å; I535-V537 HydrophobicContact CD1-CG2 4.17Å; I535-V537 HydrophobicContact CG1-CG2 4.02Å; I535-V537 HydrophobicContact CG2-CG2 4.12Å; V537-I539 HydrophobicContact CG1-CG2 4.22Å
538V91Very high73.5Confident5 Ų565.5 Ų65.53%0.0335%0.349CS..EExtended strand (participates in β ladder)trans-101.5125.6174.4-169.20000109.6F439 M444 F445 V455 R456 L457 M505 A506F439-V538 HydrophobicContact CE1-CG1 3.97Å; F439-V538 HydrophobicContact CZ-CG1 4.03Å; F439-V538 HydrophobicContact CZ-CG2 4.07Å; M444-V538 HydrophobicContact SD-CG2 4.32Å; F445-V538 HydrophobicContact CE2-CG1 3.96Å; F445-V538 HydrophobicContact CZ-CG1 4.21Å; V455-V538 HydrophobicContact CG1-CG1 3.58Å; R456-V538 WeakPolarHBondContact O-CA 3.35Å; L457-V538 HydrophobicContact CB-CG2 4.34Å; L457-V538 HydrophobicContact CD1-CG2 3.79Å; M505-V538 PolarHBondContact N-O 2.89Å; A506-V538 HydrophobicContact CB-CB 3.98Å; A506-V538 HydrophobicContact CB-CG2 3.98Å; A506-V538 PolarHBondContact N-O 3.2Å; A506-V538 PolarHBondContact O-N 3.09Å
539I92.4Very high71.4Confident0 Ų071.3 Ų71.30%038%0.382CS..EExtended strand (participates in β ladder)trans-118.9151.7176.158.4163.9000111.9V455 R456 L458 D502 E503 V537 V541V455-I539 CarbonylContact C-O 3.58Å; V455-I539 VanDerWaalsContact CA-O 3.3Å; V455-I539 WeakPolarHBondContact CA-O 3.49Å; R456-I539 PolarHBondContact N-O 2.75Å; R456-I539 PolarHBondContact O-N 3.23Å; L458-I539 HydrophobicContact CD1-CD1 3.88Å; L458-I539 HydrophobicContact CD1-CG1 4.03Å; L458-I539 HydrophobicContact CG-CG1 4.39Å; D502-I539 HydrophobicContact CB-CB 4.42Å; D502-I539 HydrophobicContact CB-CD1 4.09Å; D502-I539 WeakPolarHBondContact OD2-CD1 3.21Å; E503-I539 CarbonylContact O-C 3.11Å; E503-I539 WeakPolarHBondContact O-CA 3.41Å; E503-I539 WeakPolarHBondContact O-CB 3.36Å; V537-I539 HydrophobicContact CG1-CG2 4.22Å; I539-V541 HydrophobicContact CD1-CG2 4.03Å; I539-V541 HydrophobicContact CG1-CG2 4.47Å
540A89.8Confident69.3Low6 Ų673.3 Ų73.35%0.0539%0.388CS..EExtended strand (participates in β ladder)trans-92.6121.6151.900000108.5R453 D454 V455 E503 M505R453-A540 HydrophobicContact CB-CB 4.4Å; D454-A540 WeakPolarHBondContact O-CA 3.13Å; V455-A540 HydrophobicContact CG2-CB 4.21Å; E503-A540 HydrophobicContact CB-CB 4.2Å; E503-A540 PolarHBondContact N-O 3.13Å; E503-A540 PolarHBondContact O-N 3.49Å; M505-A540 HydrophobicContact CG-CB 4.25Å; M505-A540 HydrophobicContact SD-CB 3.61Å
541V87.7Confident66.9Low41 Ų4177.6 Ų77.625%0.24841%0.412CS..PPolyproline II helixtrans-68.8132.1-177.4-179.20000110D454 R456 D502 I539D454-V541 HydrophobicContact CB-CB 4.3Å; D454-V541 PolarHBondContact O-N 2.73Å; R456-V541 HydrophobicContact CG-CG2 4.13Å; D502-V541 WeakPolarHBondContact OD1-CA 3.25Å; I539-V541 HydrophobicContact CD1-CG2 4.03Å; I539-V541 HydrophobicContact CG1-CG2 4.47Å
542S76.4Confident65.4Low39 Ų3981 Ų8127%0.27343%0.427SS..PPolyproline II helixtrans-68.5133.6175.1-166.50000110.5G501 D502G501-S542 WeakPolarHBondContact O-CB 3.5Å; D502-S542 PolarHBondContact OD1-N 3.23Å
543P58.8Low63.4Low101 Ų10188.3 Ų88.366%0.65646%0.455SS*.PPolyproline II helixtrans-54.5147.4167.6-24.734.2000110.8K545P543-K545 PolarHBondContact O-N 3.48Å
544P49.3Very low61.4Low114 Ų11499 Ų9974%0.7450%0.499SS*.PPolyproline II helixtrans-51.8132.1170.6-24.834.3000110D546P544-D546 VanDerWaalsContact C-N 3.27Å; P544-D546 PolarHBondContact O-N 3.26Å
545K45.2Very low60.2Low149 Ų149102.2 Ų102.265%0.64852%0.518SS*.  trans-72.489.1171.8-72.7179.6-179.2169.30108.5P543 Y547P543-K545 PolarHBondContact O-N 3.48Å; K545-Y547 VanDerWaalsContact C-N 3.31Å; K545-Y547 HydrophobicContact CB-CD2 4.5Å; K545-Y547 HydrophobicContact CB-CE2 4.22Å; K545-Y547 VanDerWaalsContact O-CD2 3.27Å; K545-Y547 WeakPolarHBondContact O-CD2 3.22Å; K545-Y547 PolarHBondContact O-N 2.77Å
546D35.9Very low58.7Low150 Ų150107.5 Ų107.580%0.80255%0.545SS*.  trans-59.2101.3157.7-76.1-33000107.1P544 E548P544-D546 VanDerWaalsContact C-N 3.27Å; P544-D546 PolarHBondContact O-N 3.26Å; D546-E548 PolarHBondContact O-N 3.29Å
547Y40.1Very low57.1Low200 Ų200111.2 Ų111.278%0.78456%0.563SS**  trans-68.3108.8164.5-72.2-95.7000106K545 D549K545-Y547 VanDerWaalsContact C-N 3.31Å; K545-Y547 HydrophobicContact CB-CD2 4.5Å; K545-Y547 HydrophobicContact CB-CE2 4.22Å; K545-Y547 VanDerWaalsContact O-CD2 3.27Å; K545-Y547 WeakPolarHBondContact O-CD2 3.22Å; K545-Y547 PolarHBondContact O-N 2.77Å; Y547-D549 PolarHBondContact O-N 2.68Å
548E35.4Very low55Low195 Ų195117.6 Ų117.691%0.91160%0.595SS**  trans-60.1105.5168.2-70.8-170.1145.300108.1D546D546-E548 PolarHBondContact O-N 3.29Å
549D44.3Very low52.8Low154 Ų154124.7 Ų124.782%0.82463%0.631SS**  trans-61.9171.4168.4-102.5-42.5000110.7Y547Y547-D549 PolarHBondContact O-N 2.68Å
550E39.5Very low50.1Low174 Ų174133 Ų13381%0.81367%0.673SS**  trans76.4145.8-178.1-51.9-166.9177.800114.3
551V32.5Very low47.3Very low131 Ų131142.1 Ų142.179%0.79472%0.717SS**  cis-108.9133.315.9-174.60000112.5
552T40.1Very low44.2Very low99 Ų99149.8 Ų149.861%0.60775%0.753SS**  trans-114.1150167.653.70000110.8
553F36.3Very low41.5Very low168 Ų168159.1 Ų159.174%0.73779%0.793SS**  trans66.8144.6179.5-43.4-77.9000115
554F40.5Very low39.9Very low274 Ų274164.4 Ų164.4100%1.20281%0.806SS**  cis-121.406.5-83.1-96.8000112.5

Retrieved 554 of 554 residues in 856.7 ms (Link to these results)

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